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 3ebs_1_B DATA FIRST_RESID 31 DATA SEQUENCE GKLPPGPTPL PFIGNYLQLN TEQMYNSLMK ISERYGPVFT IHLGPRRVVV DATA SEQUENCE LCGHDAVREA LVDQAEEFSG RGEQATFDWV FKGYGVVFSN GERAKQLRRF DATA SEQUENCE SIATLRDFGV GKRGIEERIQ EEAGFLIDAL RGTGGANIDP TFFLSRTVSN DATA SEQUENCE VISSIVFGDR FDYKDKEFLS LLRMMLGSFQ FTSTSTGQLY EMFSSVMKHL DATA SEQUENCE PGPQQQAFQL LQGLEDFIAK KVEHNQRTLD PNSPRDFIDS FLIRMQEEEK DATA SEQUENCE NPNTEFYLKN LVMTTLNLFF AGTETVSTTL RYGFLLLMKH PEVEAKVHEE DATA SEQUENCE IDRVIGKNRQ PKFEDRAKMP YMEAVIHEIQ RFGDVIPMGL ARRVKKDTKF DATA SEQUENCE RDFFLPKGTE VYPMLGSVLR DPSFFSNPQD FNPQHFLNEK GQFKKSDAFV DATA SEQUENCE PFSIGKRNCF GEGLARMELF LFFTTVMQNF RLKSSQSPKD IDVSPKHVGF DATA SEQUENCE ATIPRNYTMS FLPRHH 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 3.956 3.960 -0.007 0.000 0.244 31 G C 0.000 174.909 174.900 0.015 0.000 0.946 31 G CA 0.000 45.031 45.100 -0.115 0.000 0.502 32 K N 0.988 121.495 120.400 0.178 0.000 2.182 32 K HA 0.710 5.026 4.320 -0.007 0.000 0.262 32 K C -0.294 176.527 176.600 0.368 0.000 0.957 32 K CA -1.185 55.244 56.287 0.235 0.000 0.842 32 K CB 1.584 34.206 32.500 0.204 0.000 1.099 32 K HN 0.103 nan 8.250 nan 0.000 0.438 33 L N 5.765 127.167 121.223 0.299 0.000 2.426 33 L HA 0.328 4.664 4.340 -0.007 0.000 0.271 33 L C -2.141 174.832 176.870 0.172 0.000 1.169 33 L CA -1.181 53.803 54.840 0.240 0.000 0.836 33 L CB 0.311 42.469 42.059 0.165 0.000 1.112 33 L HN 0.567 nan 8.230 nan 0.000 0.465 34 P HA 0.058 nan 4.420 nan 0.000 0.265 34 P C -2.543 174.667 177.300 -0.151 0.000 1.187 34 P CA -0.608 62.227 63.100 -0.442 0.000 0.766 34 P CB -0.322 30.997 31.700 -0.636 0.000 0.820 35 P HA 0.298 nan 4.420 nan 0.000 0.272 35 P C -0.046 177.200 177.300 -0.091 0.000 1.240 35 P CA 0.261 63.393 63.100 0.054 0.000 0.791 35 P CB 0.876 32.713 31.700 0.228 0.000 0.978 36 G N 0.023 108.637 108.800 -0.310 0.000 2.430 36 G HA2 0.466 4.422 3.960 -0.007 0.000 0.300 36 G HA3 0.466 4.422 3.960 -0.007 0.000 0.300 36 G C -3.334 171.052 174.900 -0.857 0.000 1.330 36 G CA -0.943 43.631 45.100 -0.875 0.000 0.813 36 G HN 0.246 nan 8.290 nan 0.000 0.487 37 P HA 0.287 nan 4.420 nan 0.000 0.269 37 P C 0.075 177.316 177.300 -0.100 0.000 1.209 37 P CA 0.133 63.084 63.100 -0.248 0.000 0.776 37 P CB 0.489 32.112 31.700 -0.128 0.000 0.876 38 T N 5.318 119.855 114.554 -0.029 0.000 2.769 38 T HA 0.231 4.577 4.350 -0.007 0.000 0.293 38 T C -1.899 172.762 174.700 -0.065 0.000 0.931 38 T CA -0.631 61.447 62.100 -0.038 0.000 1.139 38 T CB -0.336 68.531 68.868 -0.003 0.000 0.881 38 T HN 0.375 nan 8.240 nan 0.000 0.532 39 P HA 0.371 nan 4.420 nan 0.000 0.276 39 P C -0.744 176.499 177.300 -0.095 0.000 1.244 39 P CA -0.688 62.305 63.100 -0.178 0.000 0.801 39 P CB 0.830 32.219 31.700 -0.518 0.000 1.006 40 L N 2.710 123.916 121.223 -0.029 0.000 2.343 40 L HA 0.431 4.767 4.340 -0.007 0.000 0.275 40 L C -2.056 174.837 176.870 0.039 0.000 1.056 40 L CA -2.092 52.760 54.840 0.019 0.000 0.804 40 L CB 0.479 42.578 42.059 0.066 0.000 1.203 40 L HN 0.254 nan 8.230 nan 0.000 0.440 41 P HA -0.080 nan 4.420 nan 0.000 0.259 41 P C 0.276 177.717 177.300 0.235 0.000 1.163 41 P CA 0.512 63.677 63.100 0.109 0.000 0.760 41 P CB 0.110 31.866 31.700 0.094 0.000 0.762 42 F N 3.361 123.345 119.950 0.056 0.000 2.559 42 F HA -0.369 4.153 4.527 -0.007 0.000 0.681 42 F C 1.237 177.153 175.800 0.193 0.000 0.488 42 F CA 2.333 60.396 58.000 0.105 0.000 0.759 42 F CB -1.716 37.341 39.000 0.096 0.000 1.634 42 F HN 0.319 nan 8.300 nan 0.000 0.264 43 I N -0.271 120.396 120.570 0.162 0.000 3.176 43 I HA 0.400 4.566 4.170 -0.007 0.000 0.275 43 I C 1.780 177.983 176.117 0.143 0.000 1.298 43 I CA 0.890 62.324 61.300 0.223 0.000 1.445 43 I CB -1.055 37.123 38.000 0.296 0.000 1.075 43 I HN 0.922 nan 8.210 nan 0.000 0.482 44 G N 2.882 111.713 108.800 0.053 0.000 2.602 44 G HA2 -0.419 3.537 3.960 -0.007 0.000 0.310 44 G HA3 -0.419 3.537 3.960 -0.007 0.000 0.310 44 G C 0.291 175.226 174.900 0.058 0.000 1.183 44 G CA 0.871 45.992 45.100 0.034 0.000 0.979 44 G HN 0.595 nan 8.290 nan 0.000 0.545 45 N N 0.204 118.958 118.700 0.090 0.000 2.279 45 N HA 0.355 5.091 4.740 -0.007 0.000 0.226 45 N C 1.141 176.703 175.510 0.088 0.000 1.126 45 N CA 0.414 53.506 53.050 0.069 0.000 0.846 45 N CB 0.196 38.715 38.487 0.053 0.000 1.050 45 N HN 0.532 nan 8.380 nan 0.000 0.502 46 Y N 1.376 121.702 120.300 0.043 0.000 2.151 46 Y HA -0.199 4.347 4.550 -0.007 0.000 0.284 46 Y C 1.436 177.380 175.900 0.074 0.000 1.166 46 Y CA 1.572 59.723 58.100 0.085 0.000 1.163 46 Y CB -0.144 38.459 38.460 0.237 0.000 0.974 46 Y HN 0.104 nan 8.280 nan 0.000 0.511 47 L N -0.107 121.023 121.223 -0.155 0.000 2.131 47 L HA -0.225 4.111 4.340 -0.007 0.000 0.210 47 L C 1.837 178.601 176.870 -0.177 0.000 1.092 47 L CA 1.444 56.148 54.840 -0.228 0.000 0.759 47 L CB -0.502 41.538 42.059 -0.033 0.000 0.903 47 L HN 0.245 nan 8.230 nan 0.000 0.435 48 Q N -0.254 119.486 119.800 -0.100 0.000 2.322 48 Q HA 0.258 4.594 4.340 -0.007 0.000 0.203 48 Q C -0.586 175.369 176.000 -0.075 0.000 0.923 48 Q CA 0.278 56.041 55.803 -0.067 0.000 0.949 48 Q CB 0.293 29.015 28.738 -0.027 0.000 1.039 48 Q HN 0.401 nan 8.270 nan 0.000 0.496 49 L N -0.438 120.712 121.223 -0.123 0.000 2.371 49 L HA 0.462 4.798 4.340 -0.007 0.000 0.262 49 L C -0.726 176.083 176.870 -0.101 0.000 1.006 49 L CA -1.181 53.610 54.840 -0.082 0.000 0.818 49 L CB 1.847 43.885 42.059 -0.035 0.000 1.354 49 L HN -0.135 nan 8.230 nan 0.000 0.415 50 N N -0.571 118.106 118.700 -0.038 0.000 2.444 50 N HA 0.217 4.953 4.740 -0.007 0.000 0.262 50 N C 0.759 176.284 175.510 0.025 0.000 0.974 50 N CA -0.248 52.792 53.050 -0.016 0.000 0.933 50 N CB 1.449 39.935 38.487 -0.002 0.000 1.137 50 N HN 0.684 nan 8.380 nan 0.000 0.498 51 T N 0.268 114.849 114.554 0.046 0.000 2.915 51 T HA -0.114 4.232 4.350 -0.007 0.000 0.269 51 T C 1.318 176.047 174.700 0.049 0.000 1.071 51 T CA 1.014 63.155 62.100 0.069 0.000 1.132 51 T CB -0.127 68.808 68.868 0.111 0.000 0.878 51 T HN 0.585 nan 8.240 nan 0.000 0.479 52 E N 0.447 120.676 120.200 0.048 0.000 2.150 52 E HA -0.024 4.322 4.350 -0.007 0.000 0.193 52 E C 0.937 177.577 176.600 0.066 0.000 0.985 52 E CA 0.693 57.126 56.400 0.055 0.000 0.814 52 E CB 0.261 29.993 29.700 0.054 0.000 0.752 52 E HN 0.298 nan 8.360 nan 0.000 0.466 53 Q N -0.205 119.634 119.800 0.065 0.000 3.255 53 Q HA 0.128 4.464 4.340 -0.007 0.000 0.231 53 Q C 0.007 176.065 176.000 0.096 0.000 0.935 53 Q CA -0.189 55.666 55.803 0.087 0.000 0.714 53 Q CB 0.977 29.765 28.738 0.084 0.000 1.345 53 Q HN 0.277 nan 8.270 nan 0.000 0.463 54 M N 0.039 119.705 119.600 0.110 0.000 2.175 54 M HA -0.126 4.350 4.480 -0.007 0.000 0.264 54 M C 1.642 178.022 176.300 0.133 0.000 1.063 54 M CA 1.351 56.718 55.300 0.112 0.000 1.119 54 M CB -0.693 31.987 32.600 0.133 0.000 1.377 54 M HN 0.562 nan 8.290 nan 0.000 0.415 55 Y N 1.672 122.009 120.300 0.061 0.000 2.097 55 Y HA -0.272 4.274 4.550 -0.007 0.000 0.282 55 Y C 2.177 178.109 175.900 0.053 0.000 1.152 55 Y CA 1.906 60.040 58.100 0.057 0.000 1.136 55 Y CB -0.289 38.184 38.460 0.022 0.000 0.975 55 Y HN 0.275 nan 8.280 nan 0.000 0.498 56 N N -0.201 118.625 118.700 0.210 0.000 2.142 56 N HA -0.157 4.579 4.740 -0.007 0.000 0.186 56 N C 1.963 177.484 175.510 0.018 0.000 1.023 56 N CA 1.545 54.667 53.050 0.121 0.000 0.852 56 N CB -0.496 38.069 38.487 0.130 0.000 0.998 56 N HN 0.348 nan 8.380 nan 0.000 0.424 57 S N 1.301 117.016 115.700 0.024 0.000 2.353 57 S HA -0.052 4.414 4.470 -0.007 0.000 0.222 57 S C 2.152 176.740 174.600 -0.019 0.000 1.035 57 S CA 0.836 59.037 58.200 0.000 0.000 1.025 57 S CB -0.438 62.769 63.200 0.011 0.000 0.902 57 S HN 0.262 nan 8.310 nan 0.000 0.440 58 L N 0.758 121.978 121.223 -0.006 0.000 2.046 58 L HA -0.120 4.216 4.340 -0.007 0.000 0.208 58 L C 2.629 179.507 176.870 0.013 0.000 1.077 58 L CA 0.918 55.800 54.840 0.070 0.000 0.747 58 L CB -0.565 41.568 42.059 0.123 0.000 0.896 58 L HN 0.314 nan 8.230 nan 0.000 0.432 59 M N -0.178 119.336 119.600 -0.144 0.000 2.159 59 M HA -0.214 4.262 4.480 -0.007 0.000 0.263 59 M C 2.236 178.483 176.300 -0.088 0.000 1.063 59 M CA 1.563 56.777 55.300 -0.144 0.000 1.110 59 M CB -0.954 31.491 32.600 -0.258 0.000 1.374 59 M HN 0.212 nan 8.290 nan 0.000 0.411 60 K N 0.842 121.192 120.400 -0.084 0.000 2.032 60 K HA -0.197 4.120 4.320 -0.007 0.000 0.209 60 K C 1.891 178.416 176.600 -0.125 0.000 1.048 60 K CA 1.673 57.914 56.287 -0.077 0.000 0.927 60 K CB -0.308 32.161 32.500 -0.052 0.000 0.712 60 K HN 0.343 nan 8.250 nan 0.000 0.441 61 I N 0.024 120.477 120.570 -0.194 0.000 2.493 61 I HA -0.169 3.997 4.170 -0.007 0.000 0.254 61 I C 1.926 177.774 176.117 -0.449 0.000 1.160 61 I CA 1.764 62.897 61.300 -0.280 0.000 1.445 61 I CB -0.301 37.499 38.000 -0.334 0.000 1.086 61 I HN 0.163 nan 8.210 nan 0.000 0.433 62 S N 0.617 116.011 115.700 -0.511 0.000 2.423 62 S HA -0.164 4.302 4.470 -0.007 0.000 0.231 62 S C 1.739 176.282 174.600 -0.095 0.000 1.014 62 S CA 1.133 59.172 58.200 -0.270 0.000 0.965 62 S CB -0.886 62.373 63.200 0.099 0.000 0.785 62 S HN 0.704 nan 8.310 nan 0.000 0.495 63 E N 1.213 121.354 120.200 -0.099 0.000 2.085 63 E HA -0.184 4.162 4.350 -0.007 0.000 0.194 63 E C 2.333 178.863 176.600 -0.117 0.000 0.994 63 E CA 1.218 57.574 56.400 -0.074 0.000 0.801 63 E CB -0.188 29.475 29.700 -0.063 0.000 0.743 63 E HN 0.585 nan 8.360 nan 0.000 0.453 64 R N -0.367 120.018 120.500 -0.191 0.000 2.080 64 R HA -0.063 4.273 4.340 -0.007 0.000 0.222 64 R C 1.470 177.483 176.300 -0.478 0.000 1.107 64 R CA 1.020 56.897 56.100 -0.371 0.000 0.980 64 R CB 0.143 30.138 30.300 -0.509 0.000 0.879 64 R HN 0.177 nan 8.270 nan 0.000 0.439 65 Y N -1.092 119.111 120.300 -0.161 0.000 2.481 65 Y HA 0.373 4.919 4.550 -0.007 0.000 0.258 65 Y C 0.895 176.801 175.900 0.011 0.000 1.103 65 Y CA 0.391 58.435 58.100 -0.093 0.000 1.287 65 Y CB 1.281 39.651 38.460 -0.151 0.000 1.108 65 Y HN 0.297 nan 8.280 nan 0.000 0.529 66 G N 0.648 109.525 108.800 0.128 0.000 2.525 66 G HA2 -0.149 3.807 3.960 -0.007 0.000 0.685 66 G HA3 -0.149 3.807 3.960 -0.007 0.000 0.685 66 G C -2.351 172.702 174.900 0.254 0.000 1.290 66 G CA -0.503 44.703 45.100 0.176 0.000 0.915 66 G HN -0.095 nan 8.290 nan 0.000 0.548 67 P HA 0.233 nan 4.420 nan 0.000 0.245 67 P C 0.233 177.669 177.300 0.227 0.000 1.212 67 P CA 0.727 63.965 63.100 0.230 0.000 0.774 67 P CB 0.348 32.154 31.700 0.178 0.000 0.999 68 V N 1.750 121.803 119.914 0.232 0.000 2.462 68 V HA 0.405 4.521 4.120 -0.007 0.000 0.288 68 V C -0.479 175.585 176.094 -0.051 0.000 1.020 68 V CA -0.650 61.691 62.300 0.068 0.000 0.857 68 V CB 1.038 32.976 31.823 0.192 0.000 1.013 68 V HN 0.034 nan 8.190 nan 0.000 0.431 69 F N 1.144 120.989 119.950 -0.174 0.000 2.643 69 F HA 0.860 5.383 4.527 -0.007 0.000 0.314 69 F C -0.240 175.420 175.800 -0.233 0.000 1.096 69 F CA -0.899 56.967 58.000 -0.222 0.000 0.953 69 F CB 1.716 40.633 39.000 -0.139 0.000 1.345 69 F HN 0.152 nan 8.300 nan 0.000 0.468 70 T N 3.053 117.573 114.554 -0.056 0.000 2.767 70 T HA 0.591 4.937 4.350 -0.007 0.000 0.288 70 T C -0.957 173.715 174.700 -0.048 0.000 0.963 70 T CA -0.113 61.891 62.100 -0.159 0.000 1.019 70 T CB 1.008 69.796 68.868 -0.133 0.000 0.923 70 T HN 0.605 nan 8.240 nan 0.000 0.468 71 I N 2.390 122.848 120.570 -0.188 0.000 2.693 71 I HA 0.425 4.591 4.170 -0.007 0.000 0.303 71 I C -1.025 174.901 176.117 -0.319 0.000 1.025 71 I CA -0.850 60.388 61.300 -0.103 0.000 1.086 71 I CB 1.738 39.732 38.000 -0.011 0.000 1.268 71 I HN 0.626 nan 8.210 nan 0.000 0.440 72 H N 6.523 125.521 119.070 -0.119 0.000 2.673 72 H HA 0.446 4.998 4.556 -0.007 0.000 0.293 72 H C -0.827 174.402 175.328 -0.165 0.000 1.065 72 H CA -0.401 55.566 56.048 -0.135 0.000 1.236 72 H CB 0.824 30.530 29.762 -0.093 0.000 1.389 72 H HN 0.334 nan 8.280 nan 0.000 0.481 73 L N 4.081 125.195 121.223 -0.181 0.000 2.395 73 L HA 0.212 4.548 4.340 -0.007 0.000 0.268 73 L C 1.296 177.949 176.870 -0.363 0.000 1.223 73 L CA -0.020 54.671 54.840 -0.248 0.000 1.093 73 L CB -0.717 41.170 42.059 -0.286 0.000 1.349 73 L HN 1.017 nan 8.230 nan 0.000 0.427 74 G N 3.886 112.436 108.800 -0.416 0.000 2.591 74 G HA2 -0.307 3.649 3.960 -0.007 0.000 0.298 74 G HA3 -0.307 3.649 3.960 -0.007 0.000 0.298 74 G C -1.560 173.150 174.900 -0.316 0.000 1.195 74 G CA 0.203 44.950 45.100 -0.587 0.000 0.989 74 G HN 0.515 nan 8.290 nan 0.000 0.551 75 P HA 0.118 nan 4.420 nan 0.000 0.245 75 P C 0.504 177.764 177.300 -0.068 0.000 1.206 75 P CA 0.408 63.436 63.100 -0.120 0.000 0.781 75 P CB 0.116 31.781 31.700 -0.058 0.000 0.994 76 R N 1.172 121.584 120.500 -0.147 0.000 2.296 76 R HA 0.242 4.578 4.340 -0.007 0.000 0.323 76 R C 0.627 176.807 176.300 -0.201 0.000 1.067 76 R CA -0.299 55.713 56.100 -0.147 0.000 0.946 76 R CB 0.483 30.678 30.300 -0.175 0.000 0.991 76 R HN 0.036 nan 8.270 nan 0.000 0.448 77 R N 3.221 123.598 120.500 -0.205 0.000 2.216 77 R HA 0.205 4.541 4.340 -0.007 0.000 0.332 77 R C -0.995 175.101 176.300 -0.340 0.000 1.056 77 R CA -0.247 55.615 56.100 -0.396 0.000 0.901 77 R CB 0.705 30.833 30.300 -0.286 0.000 1.039 77 R HN 0.320 nan 8.270 nan 0.000 0.456 78 V N 5.514 125.173 119.914 -0.425 0.000 2.487 78 V HA 0.235 4.351 4.120 -0.007 0.000 0.298 78 V C -0.158 175.709 176.094 -0.379 0.000 1.028 78 V CA -0.909 61.165 62.300 -0.376 0.000 0.860 78 V CB 1.909 33.412 31.823 -0.533 0.000 0.991 78 V HN 0.458 nan 8.190 nan 0.000 0.427 79 V N 6.192 125.933 119.914 -0.287 0.000 2.389 79 V HA 0.220 4.336 4.120 -0.007 0.000 0.264 79 V C 0.224 176.115 176.094 -0.338 0.000 1.049 79 V CA -0.209 61.911 62.300 -0.300 0.000 0.932 79 V CB 1.297 33.011 31.823 -0.182 0.000 1.011 79 V HN 0.652 nan 8.190 nan 0.000 0.475 80 V N 6.965 126.517 119.914 -0.604 0.000 2.607 80 V HA 0.418 4.534 4.120 -0.007 0.000 0.289 80 V C 0.054 175.877 176.094 -0.452 0.000 1.053 80 V CA -0.507 61.419 62.300 -0.623 0.000 0.996 80 V CB 1.456 32.581 31.823 -1.164 0.000 0.995 80 V HN 0.597 nan 8.190 nan 0.000 0.476 81 L N 4.006 125.094 121.223 -0.224 0.000 2.372 81 L HA 0.510 4.846 4.340 -0.007 0.000 0.273 81 L C -0.958 175.887 176.870 -0.041 0.000 0.989 81 L CA -0.152 54.622 54.840 -0.110 0.000 0.841 81 L CB 1.684 43.658 42.059 -0.142 0.000 1.225 81 L HN 0.658 nan 8.230 nan 0.000 0.414 82 C N 2.363 121.680 119.300 0.028 0.000 2.417 82 C HA 0.896 5.352 4.460 -0.007 0.000 0.324 82 C C 0.859 175.895 174.990 0.077 0.000 1.240 82 C CA -0.599 58.457 59.018 0.063 0.000 1.632 82 C CB 0.762 28.572 27.740 0.117 0.000 2.241 82 C HN 1.064 nan 8.230 nan 0.000 0.499 83 G N 1.858 110.703 108.800 0.074 0.000 2.819 83 G HA2 -0.189 3.767 3.960 -0.007 0.000 0.682 83 G HA3 -0.189 3.767 3.960 -0.007 0.000 0.682 83 G C 0.547 175.478 174.900 0.052 0.000 1.481 83 G CA 0.370 45.523 45.100 0.087 0.000 0.904 83 G HN 1.048 nan 8.290 nan 0.000 0.563 84 H N 0.732 119.754 119.070 -0.079 0.000 2.290 84 H HA -0.115 4.437 4.556 -0.007 0.000 0.298 84 H C 2.227 177.516 175.328 -0.065 0.000 1.087 84 H CA 2.641 58.574 56.048 -0.192 0.000 1.291 84 H CB 0.018 29.413 29.762 -0.612 0.000 1.369 84 H HN 0.587 nan 8.280 nan 0.000 0.492 85 D N 0.511 120.964 120.400 0.087 0.000 2.104 85 D HA -0.105 4.531 4.640 -0.007 0.000 0.194 85 D C 2.344 178.643 176.300 -0.003 0.000 0.994 85 D CA 1.547 55.587 54.000 0.067 0.000 0.830 85 D CB -0.581 40.321 40.800 0.170 0.000 0.959 85 D HN 0.508 nan 8.370 nan 0.000 0.452 86 A N 0.297 123.147 122.820 0.050 0.000 1.873 86 A HA -0.123 4.193 4.320 -0.007 0.000 0.215 86 A C 2.479 180.073 177.584 0.017 0.000 1.186 86 A CA 1.272 53.386 52.037 0.129 0.000 0.616 86 A CB -0.749 18.343 19.000 0.153 0.000 0.823 86 A HN 0.151 nan 8.150 nan 0.000 0.442 87 V N -0.267 119.584 119.914 -0.105 0.000 2.358 87 V HA -0.208 3.908 4.120 -0.007 0.000 0.246 87 V C 2.633 178.578 176.094 -0.249 0.000 1.047 87 V CA 2.221 64.404 62.300 -0.195 0.000 1.035 87 V CB -0.757 30.969 31.823 -0.161 0.000 0.658 87 V HN 0.601 nan 8.190 nan 0.000 0.452 88 R N -0.077 120.241 120.500 -0.304 0.000 2.062 88 R HA -0.154 4.182 4.340 -0.007 0.000 0.229 88 R C 2.358 178.570 176.300 -0.146 0.000 1.128 88 R CA 1.631 57.564 56.100 -0.278 0.000 0.960 88 R CB -0.180 29.841 30.300 -0.464 0.000 0.855 88 R HN 0.578 nan 8.270 nan 0.000 0.432 89 E N -0.235 119.923 120.200 -0.069 0.000 2.130 89 E HA -0.253 4.093 4.350 -0.007 0.000 0.196 89 E C 1.762 178.390 176.600 0.048 0.000 0.998 89 E CA 1.566 58.004 56.400 0.063 0.000 0.806 89 E CB -0.070 29.727 29.700 0.161 0.000 0.738 89 E HN 0.451 nan 8.360 nan 0.000 0.459 90 A N 0.405 123.095 122.820 -0.217 0.000 1.831 90 A HA -0.098 4.218 4.320 -0.007 0.000 0.213 90 A C 1.992 179.181 177.584 -0.659 0.000 1.223 90 A CA 0.843 52.318 52.037 -0.936 0.000 0.604 90 A CB -0.505 17.544 19.000 -1.585 0.000 0.878 90 A HN 0.112 nan 8.150 nan 0.000 0.450 91 L N -0.626 120.341 121.223 -0.428 0.000 2.217 91 L HA -0.023 4.313 4.340 -0.007 0.000 0.211 91 L C 2.211 179.032 176.870 -0.080 0.000 1.107 91 L CA 1.148 55.867 54.840 -0.202 0.000 0.783 91 L CB -0.230 41.735 42.059 -0.157 0.000 0.919 91 L HN 0.227 nan 8.230 nan 0.000 0.442 92 V N -1.555 118.312 119.914 -0.079 0.000 2.599 92 V HA -0.022 4.094 4.120 -0.007 0.000 0.237 92 V C 1.778 177.880 176.094 0.013 0.000 1.081 92 V CA 0.789 63.079 62.300 -0.018 0.000 1.107 92 V CB -0.200 31.615 31.823 -0.013 0.000 0.808 92 V HN 0.202 nan 8.190 nan 0.000 0.486 93 D N 0.286 120.694 120.400 0.013 0.000 2.219 93 D HA -0.099 4.537 4.640 -0.007 0.000 0.205 93 D C 1.388 177.740 176.300 0.086 0.000 0.970 93 D CA 1.081 55.111 54.000 0.050 0.000 0.851 93 D CB -0.013 40.820 40.800 0.055 0.000 0.943 93 D HN 0.475 nan 8.370 nan 0.000 0.488 94 Q N -0.419 119.447 119.800 0.110 0.000 2.324 94 Q HA 0.477 4.813 4.340 -0.007 0.000 0.373 94 Q C 0.783 176.913 176.000 0.216 0.000 0.909 94 Q CA -0.334 55.585 55.803 0.193 0.000 1.135 94 Q CB 1.447 30.385 28.738 0.333 0.000 1.313 94 Q HN 0.049 nan 8.270 nan 0.000 0.417 95 A N 0.796 123.690 122.820 0.123 0.000 1.908 95 A HA -0.268 4.048 4.320 -0.007 0.000 0.218 95 A C 1.982 179.638 177.584 0.119 0.000 1.181 95 A CA 2.075 54.174 52.037 0.103 0.000 0.627 95 A CB -0.076 18.961 19.000 0.061 0.000 0.818 95 A HN 0.456 nan 8.150 nan 0.000 0.445 96 E N 0.180 120.436 120.200 0.094 0.000 2.072 96 E HA -0.167 4.179 4.350 -0.007 0.000 0.191 96 E C 1.780 178.404 176.600 0.041 0.000 0.985 96 E CA 1.706 58.142 56.400 0.060 0.000 0.801 96 E CB -0.342 29.384 29.700 0.043 0.000 0.750 96 E HN 0.675 nan 8.360 nan 0.000 0.452 97 E N -0.913 119.316 120.200 0.047 0.000 2.160 97 E HA -0.152 4.194 4.350 -0.007 0.000 0.195 97 E C 1.027 177.504 176.600 -0.205 0.000 0.991 97 E CA 1.131 57.488 56.400 -0.073 0.000 0.810 97 E CB -0.169 29.487 29.700 -0.074 0.000 0.742 97 E HN 0.324 nan 8.360 nan 0.000 0.466 98 F N -0.293 119.622 119.950 -0.060 0.000 2.660 98 F HA 0.092 4.615 4.527 -0.007 0.000 0.302 98 F C 1.578 177.342 175.800 -0.061 0.000 1.103 98 F CA 0.018 57.967 58.000 -0.085 0.000 1.340 98 F CB 0.513 39.440 39.000 -0.122 0.000 1.048 98 F HN -0.075 nan 8.300 nan 0.000 0.551 99 S N -1.142 114.601 115.700 0.073 0.000 2.634 99 S HA 0.272 4.738 4.470 -0.007 0.000 0.221 99 S C 1.083 175.693 174.600 0.016 0.000 0.952 99 S CA -0.155 58.075 58.200 0.049 0.000 0.930 99 S CB -0.615 62.611 63.200 0.042 0.000 0.780 99 S HN 0.147 nan 8.310 nan 0.000 0.498 100 G N 1.131 109.927 108.800 -0.007 0.000 2.599 100 G HA2 0.493 4.449 3.960 -0.007 0.000 0.264 100 G HA3 0.493 4.449 3.960 -0.007 0.000 0.264 100 G C -0.550 174.352 174.900 0.003 0.000 1.200 100 G CA -1.027 44.064 45.100 -0.015 0.000 0.896 100 G HN 0.509 nan 8.290 nan 0.000 0.536 101 R N -0.225 120.279 120.500 0.007 0.000 2.387 101 R HA 0.566 4.902 4.340 -0.007 0.000 0.314 101 R C 0.653 176.983 176.300 0.051 0.000 0.958 101 R CA 0.071 56.186 56.100 0.025 0.000 0.846 101 R CB 0.984 31.292 30.300 0.014 0.000 1.147 101 R HN 0.677 nan 8.270 nan 0.000 0.447 102 G N 2.185 111.030 108.800 0.074 0.000 2.535 102 G HA2 0.195 4.151 3.960 -0.007 0.000 0.282 102 G HA3 0.195 4.151 3.960 -0.007 0.000 0.282 102 G C -0.882 174.101 174.900 0.139 0.000 1.350 102 G CA -0.606 44.550 45.100 0.094 0.000 1.039 102 G HN 0.761 nan 8.290 nan 0.000 0.509 103 E N -1.268 119.012 120.200 0.133 0.000 2.248 103 E HA 0.479 4.825 4.350 -0.007 0.000 0.272 103 E C -1.009 175.684 176.600 0.155 0.000 1.008 103 E CA -0.802 55.680 56.400 0.137 0.000 0.856 103 E CB 1.607 31.351 29.700 0.072 0.000 1.120 103 E HN 0.163 nan 8.360 nan 0.000 0.397 104 Q N 1.633 121.499 119.800 0.110 0.000 2.397 104 Q HA 0.297 4.633 4.340 -0.007 0.000 0.260 104 Q C -0.269 175.703 176.000 -0.048 0.000 1.002 104 Q CA -0.306 55.518 55.803 0.034 0.000 0.716 104 Q CB 1.553 30.324 28.738 0.055 0.000 1.258 104 Q HN 0.783 nan 8.270 nan 0.000 0.477 105 A N 2.850 125.674 122.820 0.008 0.000 1.933 105 A HA -0.116 4.200 4.320 -0.007 0.000 0.218 105 A C 1.694 179.441 177.584 0.272 0.000 1.175 105 A CA 2.175 54.251 52.037 0.066 0.000 0.628 105 A CB -0.133 18.807 19.000 -0.100 0.000 0.814 105 A HN 0.706 nan 8.150 nan 0.000 0.444 106 T N -0.430 114.254 114.554 0.217 0.000 2.708 106 T HA -0.116 4.230 4.350 -0.007 0.000 0.266 106 T C 1.536 176.167 174.700 -0.115 0.000 1.037 106 T CA 1.730 63.880 62.100 0.082 0.000 1.146 106 T CB -0.475 68.257 68.868 -0.226 0.000 0.865 106 T HN 0.501 nan 8.240 nan 0.000 0.435 107 F N 1.541 121.417 119.950 -0.122 0.000 2.186 107 F HA -0.043 4.480 4.527 -0.007 0.000 0.299 107 F C 2.352 178.060 175.800 -0.153 0.000 1.090 107 F CA 0.504 58.352 58.000 -0.253 0.000 1.307 107 F CB -0.395 38.172 39.000 -0.723 0.000 1.019 107 F HN 0.059 nan 8.300 nan 0.000 0.489 108 D N -0.509 119.862 120.400 -0.048 0.000 2.182 108 D HA -0.235 4.401 4.640 -0.007 0.000 0.201 108 D C 1.682 178.015 176.300 0.054 0.000 0.986 108 D CA 0.896 54.918 54.000 0.037 0.000 0.847 108 D CB -0.592 40.225 40.800 0.030 0.000 0.942 108 D HN 0.378 nan 8.370 nan 0.000 0.467 109 W N 0.726 121.963 121.300 -0.104 0.000 2.305 109 W HA -0.242 4.415 4.660 -0.005 0.000 0.308 109 W C 2.248 178.617 176.519 -0.250 0.000 1.226 109 W CA 1.620 58.812 57.345 -0.256 0.000 1.253 109 W CB -0.316 28.822 29.460 -0.536 0.000 1.146 109 W HN -0.096 nan 8.180 nan 0.000 0.507 110 V N -0.692 119.168 119.914 -0.088 0.000 2.825 110 V HA -0.047 4.069 4.120 -0.007 0.000 0.246 110 V C 1.774 177.664 176.094 -0.340 0.000 1.068 110 V CA 1.456 63.573 62.300 -0.305 0.000 1.088 110 V CB -0.443 31.243 31.823 -0.228 0.000 0.733 110 V HN 0.127 nan 8.190 nan 0.000 0.468 111 F N 0.233 120.211 119.950 0.046 0.000 2.335 111 F HA 0.204 4.727 4.527 -0.006 0.000 0.296 111 F C 1.629 177.530 175.800 0.168 0.000 1.091 111 F CA 0.646 58.722 58.000 0.127 0.000 1.399 111 F CB -0.112 39.004 39.000 0.193 0.000 1.067 111 F HN -0.029 nan 8.300 nan 0.000 0.520 112 K N 0.414 120.954 120.400 0.234 0.000 2.975 112 K HA -0.262 4.054 4.320 -0.007 0.000 0.257 112 K C 0.926 177.690 176.600 0.273 0.000 1.005 112 K CA 0.361 56.758 56.287 0.182 0.000 0.738 112 K CB -1.758 30.796 32.500 0.089 0.000 1.236 112 K HN 0.666 nan 8.250 nan 0.000 0.483 113 G N -2.046 106.903 108.800 0.248 0.000 2.176 113 G HA2 -0.314 3.642 3.960 -0.007 0.000 0.232 113 G HA3 -0.314 3.642 3.960 -0.007 0.000 0.232 113 G C -0.143 174.747 174.900 -0.016 0.000 0.986 113 G CA 0.311 45.458 45.100 0.078 0.000 0.643 113 G HN 0.272 nan 8.290 nan 0.000 0.522 114 Y N 0.166 120.575 120.300 0.182 0.000 2.545 114 Y HA 0.615 5.161 4.550 -0.007 0.000 0.324 114 Y C 1.277 177.273 175.900 0.160 0.000 1.220 114 Y CA 0.167 58.364 58.100 0.162 0.000 1.290 114 Y CB 0.891 39.457 38.460 0.176 0.000 1.355 114 Y HN 1.241 nan 8.280 nan 0.000 0.516 115 G N -0.291 108.669 108.800 0.266 0.000 2.796 115 G HA2 -0.220 3.736 3.960 -0.007 0.000 0.226 115 G HA3 -0.220 3.736 3.960 -0.007 0.000 0.226 115 G C 0.276 175.199 174.900 0.039 0.000 1.381 115 G CA -0.185 44.992 45.100 0.128 0.000 0.867 115 G HN 0.958 nan 8.290 nan 0.000 0.552 116 V N -0.136 119.787 119.914 0.015 0.000 2.878 116 V HA 0.076 4.192 4.120 -0.007 0.000 0.250 116 V C 2.700 178.744 176.094 -0.083 0.000 1.075 116 V CA 2.429 64.752 62.300 0.037 0.000 1.096 116 V CB 0.104 32.051 31.823 0.207 0.000 0.724 116 V HN 0.859 nan 8.190 nan 0.000 0.467 117 V N -0.387 119.351 119.914 -0.293 0.000 2.273 117 V HA -0.001 4.115 4.120 -0.007 0.000 0.242 117 V C 1.493 177.226 176.094 -0.602 0.000 1.035 117 V CA 1.691 63.639 62.300 -0.587 0.000 1.013 117 V CB -0.594 30.607 31.823 -1.037 0.000 0.652 117 V HN 0.515 nan 8.190 nan 0.000 0.452 118 F N 1.519 121.349 119.950 -0.200 0.000 2.974 118 F HA 0.380 4.903 4.527 -0.006 0.000 0.292 118 F C 0.834 176.611 175.800 -0.038 0.000 1.209 118 F CA -0.111 57.831 58.000 -0.097 0.000 1.366 118 F CB -0.190 38.770 39.000 -0.066 0.000 1.033 118 F HN 0.166 nan 8.300 nan 0.000 0.516 119 S N -1.193 114.526 115.700 0.033 0.000 2.811 119 S HA 0.661 5.127 4.470 -0.007 0.000 0.311 119 S C -0.882 173.715 174.600 -0.005 0.000 1.152 119 S CA -0.879 57.329 58.200 0.013 0.000 0.864 119 S CB 2.713 65.906 63.200 -0.012 0.000 1.226 119 S HN 0.110 nan 8.310 nan 0.000 0.541 120 N N -1.229 117.460 118.700 -0.019 0.000 2.732 120 N HA 0.654 5.390 4.740 -0.007 0.000 0.259 120 N C 0.253 175.749 175.510 -0.023 0.000 1.402 120 N CA 0.411 53.451 53.050 -0.017 0.000 0.829 120 N CB 1.685 40.164 38.487 -0.013 0.000 1.495 120 N HN 1.291 nan 8.380 nan 0.000 0.511 121 G N 1.169 109.959 108.800 -0.017 0.000 2.527 121 G HA2 -0.288 3.668 3.960 -0.007 0.000 0.268 121 G HA3 -0.288 3.668 3.960 -0.007 0.000 0.268 121 G C 0.543 175.435 174.900 -0.014 0.000 1.175 121 G CA 0.291 45.382 45.100 -0.015 0.000 0.962 121 G HN 0.558 nan 8.290 nan 0.000 0.560 122 E N 0.292 120.484 120.200 -0.014 0.000 2.152 122 E HA -0.039 4.307 4.350 -0.007 0.000 0.192 122 E C 2.503 179.085 176.600 -0.031 0.000 0.983 122 E CA 1.100 57.493 56.400 -0.012 0.000 0.818 122 E CB -0.220 29.479 29.700 -0.002 0.000 0.758 122 E HN 0.527 nan 8.360 nan 0.000 0.467 123 R N 0.732 121.205 120.500 -0.044 0.000 2.080 123 R HA -0.135 4.201 4.340 -0.007 0.000 0.236 123 R C 2.174 178.432 176.300 -0.070 0.000 1.137 123 R CA 1.703 57.757 56.100 -0.077 0.000 0.943 123 R CB -0.191 30.061 30.300 -0.080 0.000 0.846 123 R HN 0.116 nan 8.270 nan 0.000 0.431 124 A N 0.885 123.683 122.820 -0.036 0.000 1.930 124 A HA -0.164 4.152 4.320 -0.007 0.000 0.217 124 A C 2.085 179.672 177.584 0.005 0.000 1.175 124 A CA 1.515 53.547 52.037 -0.008 0.000 0.627 124 A CB -0.439 18.560 19.000 -0.002 0.000 0.815 124 A HN 0.409 nan 8.150 nan 0.000 0.443 125 K N -0.828 119.570 120.400 -0.003 0.000 2.057 125 K HA -0.210 4.106 4.320 -0.007 0.000 0.206 125 K C 2.267 178.872 176.600 0.009 0.000 1.050 125 K CA 1.677 57.967 56.287 0.005 0.000 0.935 125 K CB -0.147 32.356 32.500 0.005 0.000 0.715 125 K HN 0.438 nan 8.250 nan 0.000 0.439 126 Q N 0.707 120.501 119.800 -0.010 0.000 2.050 126 Q HA -0.082 4.254 4.340 -0.007 0.000 0.202 126 Q C 1.990 178.003 176.000 0.022 0.000 0.980 126 Q CA 1.699 57.501 55.803 -0.003 0.000 0.840 126 Q CB -0.005 28.658 28.738 -0.126 0.000 0.898 126 Q HN 0.339 nan 8.270 nan 0.000 0.424 127 L N -0.622 120.577 121.223 -0.039 0.000 2.131 127 L HA -0.050 4.286 4.340 -0.007 0.000 0.206 127 L C 2.576 179.544 176.870 0.164 0.000 1.087 127 L CA 1.011 55.881 54.840 0.050 0.000 0.767 127 L CB -0.434 41.641 42.059 0.026 0.000 0.917 127 L HN 0.203 nan 8.230 nan 0.000 0.441 128 R N 0.745 121.287 120.500 0.070 0.000 2.082 128 R HA -0.231 4.105 4.340 -0.007 0.000 0.234 128 R C 2.491 178.665 176.300 -0.209 0.000 1.136 128 R CA 1.884 57.926 56.100 -0.097 0.000 0.935 128 R CB -0.198 30.076 30.300 -0.043 0.000 0.842 128 R HN 0.144 nan 8.270 nan 0.000 0.430 129 R N -0.515 119.948 120.500 -0.062 0.000 2.094 129 R HA -0.225 4.111 4.340 -0.007 0.000 0.239 129 R C 2.211 178.513 176.300 0.003 0.000 1.137 129 R CA 2.252 58.326 56.100 -0.043 0.000 0.943 129 R CB -0.630 29.683 30.300 0.023 0.000 0.850 129 R HN 0.310 nan 8.270 nan 0.000 0.433 130 F N 1.113 121.060 119.950 -0.004 0.000 2.065 130 F HA -0.265 4.258 4.527 -0.007 0.000 0.298 130 F C 2.314 178.134 175.800 0.034 0.000 1.112 130 F CA 2.284 60.303 58.000 0.031 0.000 1.212 130 F CB -0.487 38.618 39.000 0.175 0.000 0.975 130 F HN 0.027 nan 8.300 nan 0.000 0.476 131 S N 1.117 117.017 115.700 0.334 0.000 2.359 131 S HA -0.210 4.256 4.470 -0.007 0.000 0.224 131 S C 2.106 176.756 174.600 0.084 0.000 1.035 131 S CA 1.754 60.197 58.200 0.405 0.000 1.018 131 S CB -0.668 62.815 63.200 0.473 0.000 0.876 131 S HN 0.434 nan 8.310 nan 0.000 0.448 132 I N 1.883 122.276 120.570 -0.295 0.000 2.127 132 I HA -0.263 3.903 4.170 -0.007 0.000 0.241 132 I C 2.800 178.847 176.117 -0.117 0.000 1.075 132 I CA 1.286 62.439 61.300 -0.245 0.000 1.334 132 I CB -0.671 37.118 38.000 -0.351 0.000 1.040 132 I HN 0.283 nan 8.210 nan 0.000 0.405 133 A N 0.461 123.177 122.820 -0.173 0.000 1.883 133 A HA -0.213 4.103 4.320 -0.007 0.000 0.217 133 A C 2.383 179.821 177.584 -0.244 0.000 1.186 133 A CA 2.594 54.508 52.037 -0.206 0.000 0.624 133 A CB -1.175 17.676 19.000 -0.248 0.000 0.822 133 A HN 0.424 nan 8.150 nan 0.000 0.444 134 T N 0.131 114.477 114.554 -0.347 0.000 2.867 134 T HA -0.057 4.289 4.350 -0.007 0.000 0.268 134 T C 1.704 176.464 174.700 0.100 0.000 1.057 134 T CA 1.195 63.112 62.100 -0.305 0.000 1.136 134 T CB -0.254 68.201 68.868 -0.689 0.000 0.874 134 T HN 0.178 nan 8.240 nan 0.000 0.466 135 L N 1.402 122.743 121.223 0.197 0.000 2.012 135 L HA -0.007 4.329 4.340 -0.007 0.000 0.210 135 L C 2.509 179.458 176.870 0.132 0.000 1.073 135 L CA 1.634 56.626 54.840 0.252 0.000 0.748 135 L CB -0.776 41.428 42.059 0.241 0.000 0.891 135 L HN 0.188 nan 8.230 nan 0.000 0.431 136 R N -0.541 119.975 120.500 0.027 0.000 2.096 136 R HA -0.141 4.195 4.340 -0.007 0.000 0.235 136 R C 1.671 177.932 176.300 -0.066 0.000 1.127 136 R CA 1.354 57.442 56.100 -0.019 0.000 0.968 136 R CB -0.396 29.873 30.300 -0.052 0.000 0.861 136 R HN 0.411 nan 8.270 nan 0.000 0.440 137 D N -0.101 120.208 120.400 -0.152 0.000 2.269 137 D HA -0.096 4.540 4.640 -0.007 0.000 0.208 137 D C 0.747 176.795 176.300 -0.420 0.000 0.963 137 D CA 1.008 54.816 54.000 -0.320 0.000 0.864 137 D CB 0.006 40.517 40.800 -0.483 0.000 0.936 137 D HN 0.158 nan 8.370 nan 0.000 0.505 138 F N -0.306 119.642 119.950 -0.004 0.000 2.660 138 F HA 0.372 4.895 4.527 -0.006 0.000 0.297 138 F C 1.752 177.567 175.800 0.025 0.000 1.132 138 F CA -0.111 57.904 58.000 0.025 0.000 1.372 138 F CB 0.634 39.675 39.000 0.067 0.000 1.003 138 F HN 0.025 nan 8.300 nan 0.000 0.524 139 G N -0.621 108.240 108.800 0.101 0.000 2.211 139 G HA2 -0.218 3.738 3.960 -0.007 0.000 0.201 139 G HA3 -0.218 3.738 3.960 -0.007 0.000 0.201 139 G C 0.009 174.930 174.900 0.035 0.000 0.997 139 G CA -0.233 44.903 45.100 0.061 0.000 0.652 139 G HN 0.043 nan 8.290 nan 0.000 0.500 140 V N 1.363 121.305 119.914 0.048 0.000 2.585 140 V HA 0.447 4.563 4.120 -0.007 0.000 0.296 140 V C 1.912 178.003 176.094 -0.005 0.000 1.035 140 V CA 1.597 63.910 62.300 0.022 0.000 1.084 140 V CB 0.665 32.520 31.823 0.053 0.000 0.953 140 V HN 1.970 nan 8.190 nan 0.000 0.483 141 G N 4.001 112.779 108.800 -0.036 0.000 2.184 141 G HA2 -0.243 3.713 3.960 -0.007 0.000 0.264 141 G HA3 -0.243 3.713 3.960 -0.007 0.000 0.264 141 G C 0.176 175.073 174.900 -0.004 0.000 0.975 141 G CA 0.641 45.726 45.100 -0.025 0.000 0.642 141 G HN 0.642 nan 8.290 nan 0.000 0.536 142 K N -1.517 118.877 120.400 -0.011 0.000 2.312 142 K HA 0.664 4.980 4.320 -0.007 0.000 0.236 142 K C 1.199 177.800 176.600 0.003 0.000 1.079 142 K CA -0.572 55.716 56.287 0.002 0.000 0.900 142 K CB 1.045 33.543 32.500 -0.003 0.000 1.297 142 K HN 0.034 nan 8.250 nan 0.000 0.498 143 R N 0.477 120.984 120.500 0.011 0.000 2.148 143 R HA -0.047 4.289 4.340 -0.007 0.000 0.223 143 R C 1.671 177.977 176.300 0.010 0.000 1.088 143 R CA 1.772 57.880 56.100 0.014 0.000 0.985 143 R CB -0.626 29.684 30.300 0.018 0.000 0.880 143 R HN 0.842 nan 8.270 nan 0.000 0.451 144 G N 0.737 109.545 108.800 0.012 0.000 2.422 144 G HA2 -0.235 3.721 3.960 -0.007 0.000 0.218 144 G HA3 -0.235 3.721 3.960 -0.007 0.000 0.218 144 G C 1.216 176.131 174.900 0.026 0.000 1.146 144 G CA 0.749 45.862 45.100 0.022 0.000 0.769 144 G HN 0.326 nan 8.290 nan 0.000 0.547 145 I N 0.018 120.596 120.570 0.014 0.000 2.867 145 I HA 0.145 4.311 4.170 -0.007 0.000 0.265 145 I C 2.365 178.464 176.117 -0.030 0.000 1.162 145 I CA 0.403 61.707 61.300 0.006 0.000 1.471 145 I CB -0.022 37.982 38.000 0.006 0.000 1.123 145 I HN 0.261 nan 8.210 nan 0.000 0.440 146 E N 0.508 120.682 120.200 -0.044 0.000 2.085 146 E HA -0.273 4.073 4.350 -0.007 0.000 0.194 146 E C 1.889 178.473 176.600 -0.028 0.000 0.994 146 E CA 1.509 57.878 56.400 -0.051 0.000 0.801 146 E CB 0.018 29.709 29.700 -0.015 0.000 0.743 146 E HN 0.550 nan 8.360 nan 0.000 0.453 147 E N -0.053 120.141 120.200 -0.010 0.000 2.106 147 E HA -0.189 4.157 4.350 -0.007 0.000 0.192 147 E C 2.273 178.863 176.600 -0.017 0.000 0.984 147 E CA 0.618 57.011 56.400 -0.011 0.000 0.806 147 E CB -0.047 29.653 29.700 -0.001 0.000 0.750 147 E HN 0.126 nan 8.360 nan 0.000 0.458 148 R N 0.588 121.088 120.500 0.000 0.000 2.073 148 R HA -0.118 4.218 4.340 -0.007 0.000 0.234 148 R C 2.338 178.655 176.300 0.028 0.000 1.134 148 R CA 1.176 57.289 56.100 0.022 0.000 0.952 148 R CB -0.135 30.195 30.300 0.050 0.000 0.850 148 R HN 0.137 nan 8.270 nan 0.000 0.433 149 I N 0.500 121.068 120.570 -0.003 0.000 2.226 149 I HA -0.306 3.860 4.170 -0.007 0.000 0.245 149 I C 2.442 178.539 176.117 -0.034 0.000 1.100 149 I CA 1.321 62.595 61.300 -0.043 0.000 1.374 149 I CB -0.333 37.520 38.000 -0.246 0.000 1.057 149 I HN 0.300 nan 8.210 nan 0.000 0.413 150 Q N 0.394 120.163 119.800 -0.052 0.000 2.077 150 Q HA -0.312 4.024 4.340 -0.007 0.000 0.206 150 Q C 2.225 178.190 176.000 -0.058 0.000 0.989 150 Q CA 2.192 57.973 55.803 -0.036 0.000 0.853 150 Q CB -0.243 28.477 28.738 -0.030 0.000 0.907 150 Q HN 0.528 nan 8.270 nan 0.000 0.418 151 E N 0.378 120.500 120.200 -0.129 0.000 2.072 151 E HA -0.232 4.114 4.350 -0.007 0.000 0.191 151 E C 1.818 178.120 176.600 -0.496 0.000 0.985 151 E CA 1.018 57.199 56.400 -0.365 0.000 0.801 151 E CB 0.134 29.605 29.700 -0.381 0.000 0.750 151 E HN 0.154 nan 8.360 nan 0.000 0.452 152 E N 0.501 120.647 120.200 -0.090 0.000 2.077 152 E HA -0.129 4.217 4.350 -0.007 0.000 0.193 152 E C 1.724 178.527 176.600 0.337 0.000 0.989 152 E CA 1.344 57.877 56.400 0.221 0.000 0.800 152 E CB -0.325 29.599 29.700 0.374 0.000 0.746 152 E HN 0.359 nan 8.360 nan 0.000 0.452 153 A N 0.250 123.309 122.820 0.398 0.000 1.873 153 A HA -0.145 4.171 4.320 -0.007 0.000 0.218 153 A C 2.501 180.223 177.584 0.229 0.000 1.193 153 A CA 2.132 54.413 52.037 0.408 0.000 0.629 153 A CB -1.535 17.676 19.000 0.352 0.000 0.826 153 A HN 0.418 nan 8.150 nan 0.000 0.447 154 G N -1.177 107.671 108.800 0.080 0.000 2.476 154 G HA2 -0.268 3.688 3.960 -0.007 0.000 0.218 154 G HA3 -0.268 3.688 3.960 -0.007 0.000 0.218 154 G C 1.513 176.528 174.900 0.190 0.000 1.164 154 G CA 1.110 46.239 45.100 0.049 0.000 0.768 154 G HN 0.535 nan 8.290 nan 0.000 0.560 155 F N -0.144 119.883 119.950 0.129 0.000 2.161 155 F HA -0.106 4.417 4.527 -0.006 0.000 0.300 155 F C 2.529 178.474 175.800 0.243 0.000 1.089 155 F CA 0.552 58.614 58.000 0.104 0.000 1.282 155 F CB -0.147 38.848 39.000 -0.009 0.000 1.010 155 F HN 0.173 nan 8.300 nan 0.000 0.485 156 L N 0.460 121.961 121.223 0.465 0.000 2.056 156 L HA -0.205 4.131 4.340 -0.007 0.000 0.207 156 L C 2.112 179.132 176.870 0.251 0.000 1.078 156 L CA 1.497 56.544 54.840 0.345 0.000 0.749 156 L CB -0.771 41.414 42.059 0.211 0.000 0.901 156 L HN -0.026 nan 8.230 nan 0.000 0.433 157 I N 0.245 120.982 120.570 0.278 0.000 2.151 157 I HA -0.321 3.845 4.170 -0.007 0.000 0.243 157 I C 2.245 178.544 176.117 0.303 0.000 1.080 157 I CA 1.475 62.974 61.300 0.333 0.000 1.339 157 I CB -1.725 36.392 38.000 0.196 0.000 1.039 157 I HN 0.331 nan 8.210 nan 0.000 0.409 158 D N 1.260 121.812 120.400 0.253 0.000 2.103 158 D HA -0.176 4.460 4.640 -0.007 0.000 0.190 158 D C 2.287 178.704 176.300 0.196 0.000 0.997 158 D CA 1.875 56.004 54.000 0.215 0.000 0.833 158 D CB -0.428 40.502 40.800 0.217 0.000 0.961 158 D HN 0.334 nan 8.370 nan 0.000 0.447 159 A N 0.863 123.833 122.820 0.250 0.000 1.915 159 A HA -0.218 4.098 4.320 -0.007 0.000 0.220 159 A C 2.449 180.072 177.584 0.066 0.000 1.198 159 A CA 1.688 53.891 52.037 0.276 0.000 0.647 159 A CB -1.022 18.253 19.000 0.458 0.000 0.825 159 A HN 0.281 nan 8.150 nan 0.000 0.456 160 L N -1.705 119.426 121.223 -0.152 0.000 2.240 160 L HA -0.062 4.274 4.340 -0.007 0.000 0.211 160 L C 2.772 179.450 176.870 -0.320 0.000 1.106 160 L CA 0.500 55.000 54.840 -0.567 0.000 0.793 160 L CB -0.462 40.910 42.059 -1.145 0.000 0.927 160 L HN 0.264 nan 8.230 nan 0.000 0.446 161 R N 0.619 121.155 120.500 0.060 0.000 2.073 161 R HA -0.082 4.254 4.340 -0.007 0.000 0.234 161 R C 2.264 178.600 176.300 0.060 0.000 1.134 161 R CA 1.526 57.727 56.100 0.167 0.000 0.952 161 R CB -0.976 29.449 30.300 0.209 0.000 0.850 161 R HN 0.412 nan 8.270 nan 0.000 0.433 162 G N 0.434 109.266 108.800 0.053 0.000 2.535 162 G HA2 -0.225 3.731 3.960 -0.007 0.000 0.218 162 G HA3 -0.225 3.731 3.960 -0.007 0.000 0.218 162 G C 1.320 176.232 174.900 0.021 0.000 1.122 162 G CA 1.273 46.405 45.100 0.052 0.000 0.769 162 G HN 0.480 nan 8.290 nan 0.000 0.549 163 T N -2.105 112.422 114.554 -0.045 0.000 3.160 163 T HA 0.297 4.643 4.350 -0.007 0.000 0.257 163 T C 1.888 176.564 174.700 -0.040 0.000 1.147 163 T CA 0.819 62.878 62.100 -0.068 0.000 1.064 163 T CB -0.301 68.448 68.868 -0.199 0.000 0.949 163 T HN 1.066 nan 8.240 nan 0.000 0.526 164 G N 1.172 109.963 108.800 -0.015 0.000 2.450 164 G HA2 0.029 3.985 3.960 -0.007 0.000 0.302 164 G HA3 0.029 3.985 3.960 -0.007 0.000 0.302 164 G C 1.130 176.025 174.900 -0.008 0.000 0.957 164 G CA 0.414 45.514 45.100 0.000 0.000 1.005 164 G HN 1.795 nan 8.290 nan 0.000 0.514 165 G N -2.192 106.596 108.800 -0.021 0.000 2.162 165 G HA2 0.124 4.080 3.960 -0.007 0.000 0.260 165 G HA3 0.124 4.080 3.960 -0.007 0.000 0.260 165 G C 0.844 175.726 174.900 -0.030 0.000 0.976 165 G CA 1.184 46.272 45.100 -0.020 0.000 0.655 165 G HN 2.285 nan 8.290 nan 0.000 0.533 166 A N -0.343 122.457 122.820 -0.034 0.000 2.425 166 A HA 0.581 4.897 4.320 -0.007 0.000 0.242 166 A C 0.562 178.121 177.584 -0.042 0.000 1.077 166 A CA 0.186 52.204 52.037 -0.031 0.000 0.781 166 A CB 0.184 19.171 19.000 -0.022 0.000 1.020 166 A HN 0.487 nan 8.150 nan 0.000 0.494 167 N N 0.386 119.065 118.700 -0.036 0.000 2.429 167 N HA 0.321 5.057 4.740 -0.007 0.000 0.271 167 N C -0.169 175.319 175.510 -0.036 0.000 1.272 167 N CA 0.492 53.518 53.050 -0.041 0.000 0.921 167 N CB -0.198 38.271 38.487 -0.029 0.000 1.128 167 N HN 0.586 nan 8.380 nan 0.000 0.481 168 I N -1.785 118.755 120.570 -0.051 0.000 2.797 168 I HA 0.570 4.736 4.170 -0.007 0.000 0.307 168 I C -0.416 175.667 176.117 -0.057 0.000 1.033 168 I CA -1.175 60.103 61.300 -0.037 0.000 1.071 168 I CB 1.964 39.897 38.000 -0.112 0.000 1.255 168 I HN 0.136 nan 8.210 nan 0.000 0.445 169 D N 5.078 125.470 120.400 -0.012 0.000 2.339 169 D HA 0.341 4.977 4.640 -0.007 0.000 0.241 169 D C -1.751 174.554 176.300 0.008 0.000 1.183 169 D CA -2.316 51.639 54.000 -0.075 0.000 0.859 169 D CB 1.379 42.171 40.800 -0.014 0.000 1.067 169 D HN 0.323 nan 8.370 nan 0.000 0.484 170 P HA -0.054 nan 4.420 nan 0.000 0.230 170 P C 1.122 178.451 177.300 0.047 0.000 1.158 170 P CA 0.533 63.655 63.100 0.036 0.000 0.769 170 P CB 0.220 31.964 31.700 0.074 0.000 0.807 171 T N -0.302 114.199 114.554 -0.089 0.000 2.607 171 T HA -0.175 4.171 4.350 -0.007 0.000 0.267 171 T C 1.347 175.819 174.700 -0.379 0.000 1.049 171 T CA 1.637 63.574 62.100 -0.272 0.000 1.162 171 T CB -0.977 67.639 68.868 -0.420 0.000 0.863 171 T HN 0.092 nan 8.240 nan 0.000 0.424 172 F N -0.326 119.550 119.950 -0.124 0.000 2.416 172 F HA 0.249 4.773 4.527 -0.006 0.000 0.296 172 F C 1.870 177.468 175.800 -0.336 0.000 1.099 172 F CA 0.054 57.893 58.000 -0.268 0.000 1.427 172 F CB -0.555 38.236 39.000 -0.347 0.000 1.079 172 F HN 0.068 nan 8.300 nan 0.000 0.536 173 F N -0.141 119.742 119.950 -0.113 0.000 2.043 173 F HA -0.285 4.238 4.527 -0.007 0.000 0.297 173 F C 2.208 177.871 175.800 -0.229 0.000 1.121 173 F CA 1.118 58.990 58.000 -0.213 0.000 1.199 173 F CB -0.832 38.044 39.000 -0.207 0.000 0.968 173 F HN -0.134 nan 8.300 nan 0.000 0.478 174 L N 0.147 121.378 121.223 0.013 0.000 2.012 174 L HA -0.228 4.109 4.340 -0.007 0.000 0.210 174 L C 2.759 179.526 176.870 -0.171 0.000 1.073 174 L CA 2.175 56.964 54.840 -0.085 0.000 0.748 174 L CB -1.687 40.360 42.059 -0.021 0.000 0.891 174 L HN 0.271 nan 8.230 nan 0.000 0.431 175 S N -0.926 114.653 115.700 -0.202 0.000 2.356 175 S HA -0.252 4.214 4.470 -0.007 0.000 0.223 175 S C 2.171 176.676 174.600 -0.158 0.000 1.032 175 S CA 1.041 59.108 58.200 -0.223 0.000 1.005 175 S CB -0.543 62.465 63.200 -0.321 0.000 0.867 175 S HN 0.311 nan 8.310 nan 0.000 0.449 176 R N 0.830 121.220 120.500 -0.183 0.000 2.113 176 R HA -0.092 4.244 4.340 -0.007 0.000 0.244 176 R C 2.650 179.071 176.300 0.202 0.000 1.142 176 R CA 2.251 58.310 56.100 -0.068 0.000 0.953 176 R CB -1.024 29.050 30.300 -0.377 0.000 0.860 176 R HN 0.524 nan 8.270 nan 0.000 0.438 177 T N 0.095 114.659 114.554 0.017 0.000 2.668 177 T HA -0.101 4.245 4.350 -0.007 0.000 0.262 177 T C 1.909 176.605 174.700 -0.005 0.000 1.045 177 T CA 1.481 63.608 62.100 0.045 0.000 1.152 177 T CB -0.212 68.541 68.868 -0.190 0.000 0.864 177 T HN -0.010 nan 8.240 nan 0.000 0.419 178 V N 1.432 121.254 119.914 -0.154 0.000 2.282 178 V HA -0.203 3.913 4.120 -0.007 0.000 0.249 178 V C 2.701 178.894 176.094 0.165 0.000 1.057 178 V CA 2.155 64.459 62.300 0.006 0.000 1.032 178 V CB -0.926 30.871 31.823 -0.044 0.000 0.645 178 V HN 0.505 nan 8.190 nan 0.000 0.447 179 S N -0.053 115.750 115.700 0.171 0.000 2.419 179 S HA -0.198 4.268 4.470 -0.007 0.000 0.233 179 S C 1.834 176.729 174.600 0.492 0.000 1.016 179 S CA 1.455 59.838 58.200 0.304 0.000 0.974 179 S CB -0.532 62.839 63.200 0.285 0.000 0.786 179 S HN 0.637 nan 8.310 nan 0.000 0.492 180 N N 0.823 119.805 118.700 0.470 0.000 2.459 180 N HA -0.002 4.734 4.740 -0.007 0.000 0.181 180 N C 1.517 177.212 175.510 0.308 0.000 1.046 180 N CA 0.831 54.129 53.050 0.413 0.000 0.904 180 N CB -0.255 38.462 38.487 0.384 0.000 0.964 180 N HN 0.300 nan 8.380 nan 0.000 0.444 181 V N 0.787 120.878 119.914 0.295 0.000 2.256 181 V HA -0.120 3.996 4.120 -0.007 0.000 0.240 181 V C 2.252 178.449 176.094 0.172 0.000 1.036 181 V CA 0.847 63.282 62.300 0.226 0.000 1.008 181 V CB -0.443 31.526 31.823 0.243 0.000 0.648 181 V HN 0.120 nan 8.190 nan 0.000 0.453 182 I N 0.532 121.212 120.570 0.184 0.000 2.264 182 I HA -0.238 3.928 4.170 -0.007 0.000 0.248 182 I C 2.492 178.651 176.117 0.070 0.000 1.111 182 I CA 1.724 63.103 61.300 0.131 0.000 1.382 182 I CB -0.346 37.746 38.000 0.153 0.000 1.060 182 I HN 0.249 nan 8.210 nan 0.000 0.418 183 S N -0.066 115.753 115.700 0.200 0.000 2.383 183 S HA -0.188 4.278 4.470 -0.007 0.000 0.229 183 S C 2.107 176.715 174.600 0.013 0.000 1.030 183 S CA 1.531 59.803 58.200 0.119 0.000 1.002 183 S CB -0.468 63.067 63.200 0.559 0.000 0.829 183 S HN 0.558 nan 8.310 nan 0.000 0.467 184 S N 1.826 117.562 115.700 0.061 0.000 2.353 184 S HA -0.080 4.386 4.470 -0.007 0.000 0.222 184 S C 1.822 176.401 174.600 -0.034 0.000 1.035 184 S CA 1.365 59.578 58.200 0.023 0.000 1.025 184 S CB -0.505 62.735 63.200 0.066 0.000 0.902 184 S HN 0.441 nan 8.310 nan 0.000 0.440 185 I N 1.534 122.085 120.570 -0.031 0.000 2.179 185 I HA -0.173 3.994 4.170 -0.007 0.000 0.242 185 I C 2.475 178.480 176.117 -0.187 0.000 1.088 185 I CA 1.359 62.617 61.300 -0.070 0.000 1.357 185 I CB -0.629 37.393 38.000 0.036 0.000 1.051 185 I HN 0.279 nan 8.210 nan 0.000 0.409 186 V N -2.310 117.443 119.914 -0.268 0.000 2.446 186 V HA -0.076 4.040 4.120 -0.007 0.000 0.244 186 V C 1.831 177.739 176.094 -0.311 0.000 1.039 186 V CA 1.312 63.378 62.300 -0.390 0.000 1.045 186 V CB -0.732 30.667 31.823 -0.707 0.000 0.681 186 V HN 0.225 nan 8.190 nan 0.000 0.459 187 F N 1.651 121.538 119.950 -0.105 0.000 2.678 187 F HA 0.705 5.229 4.527 -0.006 0.000 0.305 187 F C 2.047 177.759 175.800 -0.148 0.000 1.090 187 F CA -0.264 57.650 58.000 -0.143 0.000 1.272 187 F CB 0.013 38.884 39.000 -0.215 0.000 1.060 187 F HN 0.386 nan 8.300 nan 0.000 0.576 188 G N 0.043 108.830 108.800 -0.020 0.000 2.304 188 G HA2 -0.293 3.663 3.960 -0.007 0.000 0.252 188 G HA3 -0.293 3.663 3.960 -0.007 0.000 0.252 188 G C -0.117 174.768 174.900 -0.025 0.000 1.014 188 G CA 0.486 45.561 45.100 -0.042 0.000 0.619 188 G HN 0.386 nan 8.290 nan 0.000 0.525 189 D N -0.799 119.574 120.400 -0.045 0.000 2.756 189 D HA 0.565 5.201 4.640 -0.007 0.000 0.226 189 D C 0.739 176.956 176.300 -0.139 0.000 1.186 189 D CA -0.492 53.459 54.000 -0.082 0.000 0.845 189 D CB 0.992 41.719 40.800 -0.121 0.000 1.610 189 D HN 0.603 nan 8.370 nan 0.000 0.465 190 R N 0.782 121.229 120.500 -0.089 0.000 2.822 190 R HA 0.367 4.703 4.340 -0.007 0.000 0.277 190 R C -0.630 175.487 176.300 -0.305 0.000 1.102 190 R CA -0.074 55.975 56.100 -0.084 0.000 1.207 190 R CB 0.244 30.567 30.300 0.038 0.000 1.139 190 R HN 0.212 nan 8.270 nan 0.000 0.557 191 F N -0.422 119.325 119.950 -0.338 0.000 2.450 191 F HA 0.198 4.722 4.527 -0.006 0.000 0.332 191 F C 0.810 176.350 175.800 -0.432 0.000 1.093 191 F CA -0.539 57.130 58.000 -0.552 0.000 1.003 191 F CB 1.324 39.478 39.000 -1.410 0.000 1.151 191 F HN 0.567 nan 8.300 nan 0.000 0.474 192 D N 1.360 121.716 120.400 -0.075 0.000 2.399 192 D HA -0.094 4.542 4.640 -0.007 0.000 0.241 192 D C 0.627 177.022 176.300 0.159 0.000 1.133 192 D CA 0.161 54.127 54.000 -0.057 0.000 0.890 192 D CB 0.663 41.437 40.800 -0.045 0.000 1.201 192 D HN 0.441 nan 8.370 nan 0.000 0.432 193 Y N 1.756 122.061 120.300 0.008 0.000 2.403 193 Y HA -0.085 4.461 4.550 -0.007 0.000 0.291 193 Y C 2.025 177.962 175.900 0.060 0.000 1.143 193 Y CA 0.692 58.844 58.100 0.088 0.000 1.257 193 Y CB -0.018 38.449 38.460 0.012 0.000 0.984 193 Y HN 0.337 nan 8.280 nan 0.000 0.550 194 K N -0.178 120.328 120.400 0.176 0.000 2.361 194 K HA -0.003 4.313 4.320 -0.007 0.000 0.194 194 K C 0.156 176.798 176.600 0.070 0.000 1.032 194 K CA 0.030 56.363 56.287 0.077 0.000 1.048 194 K CB -0.049 32.472 32.500 0.035 0.000 0.842 194 K HN 0.150 nan 8.250 nan 0.000 0.526 195 D N 2.658 123.132 120.400 0.124 0.000 2.520 195 D HA -0.090 4.546 4.640 -0.007 0.000 0.243 195 D C 0.880 177.227 176.300 0.078 0.000 1.160 195 D CA 0.537 54.609 54.000 0.120 0.000 0.877 195 D CB 0.887 41.807 40.800 0.201 0.000 1.150 195 D HN -0.048 nan 8.370 nan 0.000 0.494 196 K N 3.132 123.542 120.400 0.016 0.000 2.217 196 K HA -0.119 4.197 4.320 -0.007 0.000 0.202 196 K C 1.614 178.168 176.600 -0.075 0.000 1.051 196 K CA 0.606 56.865 56.287 -0.046 0.000 0.952 196 K CB 0.201 32.672 32.500 -0.048 0.000 0.736 196 K HN 0.530 nan 8.250 nan 0.000 0.453 197 E N -0.137 120.040 120.200 -0.038 0.000 2.028 197 E HA -0.184 4.162 4.350 -0.007 0.000 0.190 197 E C 1.746 178.230 176.600 -0.193 0.000 0.984 197 E CA 0.726 57.072 56.400 -0.090 0.000 0.800 197 E CB -0.161 29.528 29.700 -0.019 0.000 0.758 197 E HN 0.190 nan 8.360 nan 0.000 0.448 198 F N 1.824 121.552 119.950 -0.370 0.000 2.048 198 F HA -0.308 4.215 4.527 -0.006 0.000 0.296 198 F C 2.105 177.654 175.800 -0.419 0.000 1.109 198 F CA 1.897 59.543 58.000 -0.589 0.000 1.214 198 F CB -0.943 37.805 39.000 -0.421 0.000 0.963 198 F HN 0.172 nan 8.300 nan 0.000 0.491 199 L N 0.469 121.439 121.223 -0.422 0.000 2.083 199 L HA -0.180 4.156 4.340 -0.007 0.000 0.209 199 L C 2.705 179.312 176.870 -0.440 0.000 1.083 199 L CA 2.329 56.849 54.840 -0.533 0.000 0.752 199 L CB -1.112 40.678 42.059 -0.448 0.000 0.899 199 L HN 0.389 nan 8.230 nan 0.000 0.433 200 S N -0.610 114.896 115.700 -0.324 0.000 2.356 200 S HA -0.245 4.222 4.470 -0.007 0.000 0.223 200 S C 2.064 176.512 174.600 -0.253 0.000 1.032 200 S CA 1.617 59.664 58.200 -0.255 0.000 1.005 200 S CB -1.235 61.853 63.200 -0.186 0.000 0.867 200 S HN 0.502 nan 8.310 nan 0.000 0.449 201 L N 0.970 122.004 121.223 -0.314 0.000 2.021 201 L HA -0.133 4.203 4.340 -0.007 0.000 0.215 201 L C 2.742 179.424 176.870 -0.313 0.000 1.074 201 L CA 1.573 56.230 54.840 -0.304 0.000 0.760 201 L CB -0.726 41.107 42.059 -0.376 0.000 0.889 201 L HN 0.332 nan 8.230 nan 0.000 0.433 202 L N -1.039 119.954 121.223 -0.384 0.000 2.141 202 L HA -0.167 4.169 4.340 -0.007 0.000 0.209 202 L C 2.839 179.662 176.870 -0.078 0.000 1.094 202 L CA 1.015 55.666 54.840 -0.314 0.000 0.763 202 L CB -0.440 41.396 42.059 -0.372 0.000 0.908 202 L HN 0.257 nan 8.230 nan 0.000 0.437 203 R N -0.279 120.174 120.500 -0.078 0.000 2.062 203 R HA -0.078 4.258 4.340 -0.007 0.000 0.229 203 R C 2.337 178.618 176.300 -0.032 0.000 1.128 203 R CA 1.196 57.301 56.100 0.008 0.000 0.960 203 R CB -0.324 29.913 30.300 -0.105 0.000 0.855 203 R HN 0.298 nan 8.270 nan 0.000 0.432 204 M N 0.219 119.769 119.600 -0.084 0.000 2.108 204 M HA -0.277 4.199 4.480 -0.007 0.000 0.257 204 M C 2.377 178.652 176.300 -0.043 0.000 1.071 204 M CA 1.944 57.213 55.300 -0.052 0.000 1.093 204 M CB -0.370 32.201 32.600 -0.049 0.000 1.345 204 M HN 0.201 nan 8.290 nan 0.000 0.403 205 M N -0.502 118.976 119.600 -0.203 0.000 2.098 205 M HA -0.163 4.313 4.480 -0.007 0.000 0.262 205 M C 2.288 178.538 176.300 -0.084 0.000 1.072 205 M CA 1.278 56.326 55.300 -0.419 0.000 1.133 205 M CB -0.585 31.510 32.600 -0.842 0.000 1.344 205 M HN 0.255 nan 8.290 nan 0.000 0.414 206 L N 0.799 121.985 121.223 -0.063 0.000 2.042 206 L HA -0.094 4.242 4.340 -0.007 0.000 0.210 206 L C 2.318 179.293 176.870 0.175 0.000 1.076 206 L CA 2.216 57.089 54.840 0.055 0.000 0.749 206 L CB -1.161 40.885 42.059 -0.021 0.000 0.893 206 L HN 0.274 nan 8.230 nan 0.000 0.432 207 G N -1.867 107.009 108.800 0.128 0.000 2.404 207 G HA2 -0.225 3.731 3.960 -0.007 0.000 0.215 207 G HA3 -0.225 3.731 3.960 -0.007 0.000 0.215 207 G C 1.542 176.550 174.900 0.179 0.000 1.174 207 G CA 0.828 46.000 45.100 0.120 0.000 0.780 207 G HN 0.490 nan 8.290 nan 0.000 0.537 208 S N 0.526 116.372 115.700 0.243 0.000 2.353 208 S HA -0.137 4.329 4.470 -0.007 0.000 0.222 208 S C 1.964 176.840 174.600 0.460 0.000 1.035 208 S CA 1.262 59.665 58.200 0.337 0.000 1.025 208 S CB -0.478 63.075 63.200 0.588 0.000 0.902 208 S HN 0.319 nan 8.310 nan 0.000 0.440 209 F N 1.954 122.182 119.950 0.463 0.000 2.171 209 F HA -0.126 4.397 4.527 -0.007 0.000 0.300 209 F C 2.603 178.578 175.800 0.292 0.000 1.090 209 F CA 1.510 59.803 58.000 0.487 0.000 1.293 209 F CB -0.536 38.756 39.000 0.488 0.000 1.013 209 F HN 0.170 nan 8.300 nan 0.000 0.486 210 Q N -0.786 119.197 119.800 0.306 0.000 2.020 210 Q HA -0.250 4.086 4.340 -0.007 0.000 0.202 210 Q C 2.256 178.245 176.000 -0.018 0.000 0.982 210 Q CA 2.202 58.073 55.803 0.115 0.000 0.838 210 Q CB -0.579 28.238 28.738 0.132 0.000 0.899 210 Q HN 0.447 nan 8.270 nan 0.000 0.423 211 F N 0.882 120.776 119.950 -0.094 0.000 2.120 211 F HA -0.254 4.269 4.527 -0.007 0.000 0.300 211 F C 2.233 177.927 175.800 -0.176 0.000 1.095 211 F CA 2.072 59.970 58.000 -0.169 0.000 1.249 211 F CB -0.701 38.185 39.000 -0.190 0.000 0.995 211 F HN 0.215 nan 8.300 nan 0.000 0.480 212 T N -3.257 111.193 114.554 -0.173 0.000 3.072 212 T HA -0.046 4.300 4.350 -0.007 0.000 0.266 212 T C 1.738 176.331 174.700 -0.179 0.000 1.127 212 T CA 1.177 63.124 62.100 -0.254 0.000 1.107 212 T CB -0.524 68.228 68.868 -0.193 0.000 0.910 212 T HN 0.257 nan 8.240 nan 0.000 0.513 213 S N 1.172 116.759 115.700 -0.187 0.000 2.517 213 S HA 0.155 4.621 4.470 -0.007 0.000 0.214 213 S C 1.226 175.730 174.600 -0.159 0.000 0.991 213 S CA 0.136 58.262 58.200 -0.123 0.000 0.906 213 S CB 0.151 63.297 63.200 -0.090 0.000 0.789 213 S HN 0.891 nan 8.310 nan 0.000 0.513 214 T N 0.807 115.161 114.554 -0.333 0.000 2.788 214 T HA 0.287 4.633 4.350 -0.007 0.000 0.280 214 T C 1.638 176.208 174.700 -0.216 0.000 0.984 214 T CA 0.097 62.001 62.100 -0.327 0.000 0.972 214 T CB 1.030 69.631 68.868 -0.444 0.000 1.039 214 T HN 0.132 nan 8.240 nan 0.000 0.530 215 S N 0.739 116.369 115.700 -0.116 0.000 2.353 215 S HA -0.165 4.301 4.470 -0.007 0.000 0.222 215 S C 2.044 176.587 174.600 -0.096 0.000 1.035 215 S CA 1.761 59.928 58.200 -0.055 0.000 1.025 215 S CB -1.828 61.376 63.200 0.007 0.000 0.902 215 S HN 0.837 nan 8.310 nan 0.000 0.440 216 T N 1.820 116.283 114.554 -0.152 0.000 2.720 216 T HA 0.013 4.359 4.350 -0.007 0.000 0.268 216 T C 1.977 176.455 174.700 -0.370 0.000 1.037 216 T CA 1.496 63.502 62.100 -0.157 0.000 1.144 216 T CB -1.177 67.662 68.868 -0.047 0.000 0.864 216 T HN 0.669 nan 8.240 nan 0.000 0.444 217 G N 0.625 108.903 108.800 -0.869 0.000 2.422 217 G HA2 -0.168 3.788 3.960 -0.007 0.000 0.218 217 G HA3 -0.168 3.788 3.960 -0.007 0.000 0.218 217 G C 1.625 176.350 174.900 -0.292 0.000 1.140 217 G CA 0.338 44.865 45.100 -0.954 0.000 0.775 217 G HN 0.342 nan 8.290 nan 0.000 0.545 218 Q N -0.470 119.216 119.800 -0.189 0.000 2.269 218 Q HA 0.128 4.464 4.340 -0.007 0.000 0.201 218 Q C 2.511 178.511 176.000 0.000 0.000 0.946 218 Q CA 0.323 56.097 55.803 -0.049 0.000 0.877 218 Q CB -0.248 28.484 28.738 -0.010 0.000 0.963 218 Q HN 0.478 nan 8.270 nan 0.000 0.472 219 L N -0.178 121.067 121.223 0.036 0.000 2.017 219 L HA -0.193 4.143 4.340 -0.007 0.000 0.208 219 L C 2.257 179.189 176.870 0.103 0.000 1.073 219 L CA 1.602 56.515 54.840 0.121 0.000 0.745 219 L CB -0.700 41.470 42.059 0.184 0.000 0.894 219 L HN 0.163 nan 8.230 nan 0.000 0.432 220 Y N 0.319 120.619 120.300 0.001 0.000 2.139 220 Y HA -0.333 4.214 4.550 -0.006 0.000 0.282 220 Y C 2.410 178.300 175.900 -0.017 0.000 1.179 220 Y CA 1.915 60.038 58.100 0.039 0.000 1.161 220 Y CB 0.059 38.569 38.460 0.085 0.000 0.970 220 Y HN 0.286 nan 8.280 nan 0.000 0.511 221 E N -0.171 119.990 120.200 -0.064 0.000 2.209 221 E HA -0.231 4.115 4.350 -0.007 0.000 0.196 221 E C 1.970 178.401 176.600 -0.282 0.000 0.993 221 E CA 1.740 58.060 56.400 -0.133 0.000 0.819 221 E CB -0.297 29.389 29.700 -0.023 0.000 0.745 221 E HN 0.672 nan 8.360 nan 0.000 0.477 222 M N -1.758 117.587 119.600 -0.425 0.000 2.556 222 M HA 0.098 4.574 4.480 -0.007 0.000 0.264 222 M C 0.885 176.583 176.300 -1.002 0.000 1.163 222 M CA 0.758 55.549 55.300 -0.849 0.000 1.186 222 M CB 0.198 32.038 32.600 -1.267 0.000 1.321 222 M HN -0.057 nan 8.290 nan 0.000 0.485 223 F N 0.031 119.852 119.950 -0.216 0.000 2.735 223 F HA 0.200 4.723 4.527 -0.007 0.000 0.304 223 F C 2.101 177.821 175.800 -0.134 0.000 1.119 223 F CA -0.377 57.536 58.000 -0.144 0.000 1.280 223 F CB -0.186 38.761 39.000 -0.088 0.000 0.994 223 F HN 0.122 nan 8.300 nan 0.000 0.520 224 S N 0.052 115.549 115.700 -0.337 0.000 2.380 224 S HA -0.302 4.164 4.470 -0.007 0.000 0.229 224 S C 2.277 176.837 174.600 -0.067 0.000 1.043 224 S CA 1.860 59.697 58.200 -0.606 0.000 1.038 224 S CB -1.007 61.619 63.200 -0.956 0.000 0.872 224 S HN 0.472 nan 8.310 nan 0.000 0.456 225 S N 1.035 116.767 115.700 0.053 0.000 2.419 225 S HA -0.028 4.438 4.470 -0.007 0.000 0.233 225 S C 1.697 176.471 174.600 0.291 0.000 1.016 225 S CA 1.039 59.345 58.200 0.177 0.000 0.974 225 S CB -0.722 62.613 63.200 0.225 0.000 0.786 225 S HN 0.479 nan 8.310 nan 0.000 0.492 226 V N 1.491 121.586 119.914 0.301 0.000 2.521 226 V HA 0.141 4.257 4.120 -0.007 0.000 0.239 226 V C 2.499 178.769 176.094 0.293 0.000 1.053 226 V CA 1.242 63.725 62.300 0.306 0.000 1.073 226 V CB -0.741 31.235 31.823 0.255 0.000 0.746 226 V HN 0.370 nan 8.190 nan 0.000 0.476 227 M N 1.316 121.086 119.600 0.283 0.000 2.202 227 M HA -0.191 4.285 4.480 -0.007 0.000 0.262 227 M C 2.206 178.741 176.300 0.393 0.000 1.063 227 M CA 1.814 57.311 55.300 0.328 0.000 1.097 227 M CB -0.635 32.223 32.600 0.430 0.000 1.382 227 M HN 0.414 nan 8.290 nan 0.000 0.413 228 K N 0.074 120.720 120.400 0.410 0.000 2.281 228 K HA -0.183 4.133 4.320 -0.007 0.000 0.203 228 K C 0.892 177.553 176.600 0.102 0.000 1.046 228 K CA 1.416 57.918 56.287 0.359 0.000 0.938 228 K CB -0.420 32.215 32.500 0.225 0.000 0.737 228 K HN 0.513 nan 8.250 nan 0.000 0.458 229 H N 0.197 119.433 119.070 0.277 0.000 2.586 229 H HA 0.298 4.850 4.556 -0.007 0.000 0.273 229 H C 0.353 175.764 175.328 0.138 0.000 0.997 229 H CA -0.146 56.013 56.048 0.186 0.000 1.177 229 H CB 0.391 30.234 29.762 0.135 0.000 1.471 229 H HN 0.074 nan 8.280 nan 0.000 0.538 230 L N 2.279 123.632 121.223 0.215 0.000 2.334 230 L HA 0.354 4.690 4.340 -0.007 0.000 0.275 230 L C -2.266 174.644 176.870 0.067 0.000 1.036 230 L CA -2.061 52.857 54.840 0.130 0.000 0.807 230 L CB 1.642 43.769 42.059 0.112 0.000 1.231 230 L HN -0.156 nan 8.230 nan 0.000 0.438 231 P HA 0.401 nan 4.420 nan 0.000 0.275 231 P C -0.193 177.080 177.300 -0.045 0.000 1.227 231 P CA -0.035 63.057 63.100 -0.014 0.000 0.781 231 P CB 1.223 32.920 31.700 -0.005 0.000 0.906 232 G N 2.441 111.178 108.800 -0.104 0.000 2.345 232 G HA2 0.119 4.075 3.960 -0.007 0.000 0.285 232 G HA3 0.119 4.075 3.960 -0.007 0.000 0.285 232 G C -2.587 172.184 174.900 -0.216 0.000 1.297 232 G CA -0.681 44.347 45.100 -0.119 0.000 0.875 232 G HN 0.123 nan 8.290 nan 0.000 0.506 233 P HA -0.058 nan 4.420 nan 0.000 0.218 233 P C 1.756 178.674 177.300 -0.638 0.000 1.148 233 P CA 1.643 64.581 63.100 -0.271 0.000 0.822 233 P CB 0.079 31.749 31.700 -0.049 0.000 0.784 234 Q N -0.048 119.337 119.800 -0.692 0.000 2.047 234 Q HA -0.252 4.084 4.340 -0.007 0.000 0.211 234 Q C 2.284 177.157 176.000 -1.879 0.000 1.005 234 Q CA 1.708 56.676 55.803 -1.391 0.000 0.866 234 Q CB -1.330 26.701 28.738 -1.180 0.000 0.938 234 Q HN 0.311 nan 8.270 nan 0.000 0.414 235 Q N 0.282 119.348 119.800 -1.224 0.000 2.152 235 Q HA -0.267 4.069 4.340 -0.007 0.000 0.206 235 Q C 2.151 177.772 176.000 -0.632 0.000 0.985 235 Q CA 1.942 57.260 55.803 -0.809 0.000 0.863 235 Q CB -0.418 28.118 28.738 -0.336 0.000 0.904 235 Q HN 0.507 nan 8.270 nan 0.000 0.422 236 Q N 0.768 120.214 119.800 -0.590 0.000 2.050 236 Q HA -0.071 4.265 4.340 -0.007 0.000 0.202 236 Q C 1.973 177.687 176.000 -0.478 0.000 0.980 236 Q CA 2.038 57.585 55.803 -0.427 0.000 0.840 236 Q CB -0.554 27.979 28.738 -0.343 0.000 0.898 236 Q HN 0.311 nan 8.270 nan 0.000 0.424 237 A N -0.181 122.183 122.820 -0.760 0.000 1.940 237 A HA -0.137 4.179 4.320 -0.007 0.000 0.219 237 A C 1.850 179.142 177.584 -0.486 0.000 1.176 237 A CA 1.526 53.126 52.037 -0.729 0.000 0.631 237 A CB -0.962 17.225 19.000 -1.355 0.000 0.814 237 A HN 0.492 nan 8.150 nan 0.000 0.446 238 F N 0.185 119.655 119.950 -0.801 0.000 2.126 238 F HA -0.174 4.349 4.527 -0.006 0.000 0.299 238 F C 2.673 178.150 175.800 -0.537 0.000 1.096 238 F CA 1.310 58.698 58.000 -1.019 0.000 1.255 238 F CB -1.018 36.937 39.000 -1.741 0.000 0.997 238 F HN 0.251 nan 8.300 nan 0.000 0.479 239 Q N 0.150 119.832 119.800 -0.198 0.000 2.172 239 Q HA -0.068 4.268 4.340 -0.007 0.000 0.200 239 Q C 2.599 178.584 176.000 -0.025 0.000 0.964 239 Q CA 0.781 56.541 55.803 -0.072 0.000 0.855 239 Q CB -0.708 27.980 28.738 -0.083 0.000 0.918 239 Q HN 0.433 nan 8.270 nan 0.000 0.444 240 L N 0.095 121.281 121.223 -0.061 0.000 2.012 240 L HA -0.211 4.125 4.340 -0.007 0.000 0.210 240 L C 2.406 179.326 176.870 0.083 0.000 1.073 240 L CA 1.093 55.930 54.840 -0.004 0.000 0.748 240 L CB -0.609 41.437 42.059 -0.022 0.000 0.891 240 L HN 0.205 nan 8.230 nan 0.000 0.431 241 L N -0.704 120.586 121.223 0.111 0.000 2.083 241 L HA -0.234 4.102 4.340 -0.007 0.000 0.209 241 L C 2.653 179.635 176.870 0.188 0.000 1.083 241 L CA 1.072 56.030 54.840 0.197 0.000 0.752 241 L CB -0.343 41.844 42.059 0.214 0.000 0.899 241 L HN 0.324 nan 8.230 nan 0.000 0.433 242 Q N 0.183 120.100 119.800 0.195 0.000 2.123 242 Q HA -0.101 4.235 4.340 -0.007 0.000 0.199 242 Q C 2.108 178.191 176.000 0.138 0.000 0.966 242 Q CA 1.702 57.615 55.803 0.184 0.000 0.845 242 Q CB -0.375 28.496 28.738 0.221 0.000 0.907 242 Q HN 0.384 nan 8.270 nan 0.000 0.439 243 G N 0.347 109.215 108.800 0.115 0.000 2.442 243 G HA2 -0.230 3.726 3.960 -0.007 0.000 0.219 243 G HA3 -0.230 3.726 3.960 -0.007 0.000 0.219 243 G C 1.278 176.277 174.900 0.165 0.000 1.141 243 G CA 1.039 46.203 45.100 0.107 0.000 0.763 243 G HN 0.367 nan 8.290 nan 0.000 0.554 244 L N 0.002 121.339 121.223 0.191 0.000 2.023 244 L HA 0.028 4.364 4.340 -0.007 0.000 0.205 244 L C 2.749 179.817 176.870 0.330 0.000 1.073 244 L CA 1.514 56.527 54.840 0.289 0.000 0.745 244 L CB -0.470 41.767 42.059 0.296 0.000 0.900 244 L HN 0.383 nan 8.230 nan 0.000 0.435 245 E N 0.413 120.750 120.200 0.229 0.000 2.097 245 E HA -0.301 4.045 4.350 -0.007 0.000 0.196 245 E C 1.573 178.262 176.600 0.148 0.000 1.000 245 E CA 1.978 58.479 56.400 0.168 0.000 0.804 245 E CB -0.016 29.730 29.700 0.077 0.000 0.740 245 E HN 0.409 nan 8.360 nan 0.000 0.454 246 D N -0.343 120.144 120.400 0.146 0.000 2.178 246 D HA -0.140 4.496 4.640 -0.007 0.000 0.202 246 D C 1.573 177.952 176.300 0.132 0.000 0.974 246 D CA 0.815 54.883 54.000 0.113 0.000 0.841 246 D CB -0.382 40.480 40.800 0.104 0.000 0.953 246 D HN 0.278 nan 8.370 nan 0.000 0.478 247 F N 1.515 121.501 119.950 0.060 0.000 2.113 247 F HA -0.153 4.370 4.527 -0.006 0.000 0.297 247 F C 2.031 177.843 175.800 0.020 0.000 1.103 247 F CA 1.029 59.050 58.000 0.035 0.000 1.248 247 F CB -0.102 38.935 39.000 0.061 0.000 0.999 247 F HN -0.174 nan 8.300 nan 0.000 0.475 248 I N 1.141 121.725 120.570 0.023 0.000 2.208 248 I HA -0.299 3.867 4.170 -0.007 0.000 0.245 248 I C 2.779 178.848 176.117 -0.080 0.000 1.097 248 I CA 1.476 62.765 61.300 -0.018 0.000 1.363 248 I CB -2.259 35.871 38.000 0.217 0.000 1.051 248 I HN 0.284 nan 8.210 nan 0.000 0.413 249 A N 1.319 124.122 122.820 -0.028 0.000 1.908 249 A HA -0.277 4.039 4.320 -0.007 0.000 0.218 249 A C 2.499 180.040 177.584 -0.072 0.000 1.181 249 A CA 2.328 54.347 52.037 -0.030 0.000 0.627 249 A CB -0.641 18.358 19.000 -0.001 0.000 0.818 249 A HN 0.509 nan 8.150 nan 0.000 0.445 250 K N -0.705 119.619 120.400 -0.126 0.000 2.025 250 K HA -0.135 4.181 4.320 -0.007 0.000 0.207 250 K C 1.815 178.296 176.600 -0.198 0.000 1.049 250 K CA 1.360 57.562 56.287 -0.143 0.000 0.933 250 K CB -0.160 32.258 32.500 -0.137 0.000 0.714 250 K HN 0.188 nan 8.250 nan 0.000 0.438 251 K N 0.800 120.964 120.400 -0.394 0.000 2.209 251 K HA -0.072 4.244 4.320 -0.007 0.000 0.204 251 K C 2.081 178.622 176.600 -0.098 0.000 1.048 251 K CA 0.863 56.930 56.287 -0.366 0.000 0.940 251 K CB -0.094 31.962 32.500 -0.741 0.000 0.729 251 K HN 0.095 nan 8.250 nan 0.000 0.451 252 V N 1.084 120.958 119.914 -0.067 0.000 2.346 252 V HA -0.176 3.940 4.120 -0.007 0.000 0.244 252 V C 2.020 178.119 176.094 0.008 0.000 1.037 252 V CA 1.484 63.784 62.300 0.001 0.000 1.029 252 V CB -0.300 31.526 31.823 0.004 0.000 0.663 252 V HN 0.312 nan 8.190 nan 0.000 0.454 253 E N -0.702 119.498 120.200 -0.001 0.000 2.118 253 E HA -0.277 4.069 4.350 -0.007 0.000 0.195 253 E C 2.196 178.810 176.600 0.024 0.000 0.992 253 E CA 1.528 57.934 56.400 0.009 0.000 0.804 253 E CB -0.243 29.460 29.700 0.005 0.000 0.741 253 E HN 0.699 nan 8.360 nan 0.000 0.458 254 H N 0.423 119.456 119.070 -0.062 0.000 2.357 254 H HA -0.070 4.482 4.556 -0.006 0.000 0.301 254 H C 1.637 176.942 175.328 -0.037 0.000 1.082 254 H CA 1.534 57.547 56.048 -0.059 0.000 1.342 254 H CB 0.246 29.953 29.762 -0.093 0.000 1.389 254 H HN 0.069 nan 8.280 nan 0.000 0.511 255 N N 0.549 119.173 118.700 -0.127 0.000 2.120 255 N HA -0.179 4.557 4.740 -0.007 0.000 0.188 255 N C 2.125 177.565 175.510 -0.117 0.000 1.024 255 N CA 1.952 54.916 53.050 -0.143 0.000 0.852 255 N CB -0.186 38.300 38.487 -0.001 0.000 1.003 255 N HN 0.642 nan 8.380 nan 0.000 0.424 256 Q N 0.040 119.804 119.800 -0.061 0.000 2.269 256 Q HA 0.019 4.355 4.340 -0.007 0.000 0.201 256 Q C 1.567 177.541 176.000 -0.045 0.000 0.946 256 Q CA 0.770 56.555 55.803 -0.030 0.000 0.877 256 Q CB -0.244 28.498 28.738 0.008 0.000 0.963 256 Q HN 0.449 nan 8.270 nan 0.000 0.472 257 R N 0.255 120.714 120.500 -0.068 0.000 2.236 257 R HA 0.034 4.370 4.340 -0.007 0.000 0.208 257 R C 0.677 176.925 176.300 -0.086 0.000 1.036 257 R CA 1.437 57.500 56.100 -0.060 0.000 1.001 257 R CB 0.019 30.294 30.300 -0.042 0.000 0.896 257 R HN 0.101 nan 8.270 nan 0.000 0.464 258 T N 0.893 115.361 114.554 -0.144 0.000 3.741 258 T HA 0.284 4.630 4.350 -0.007 0.000 0.242 258 T C -1.127 173.507 174.700 -0.109 0.000 1.042 258 T CA -0.781 61.238 62.100 -0.135 0.000 1.278 258 T CB 0.048 68.805 68.868 -0.183 0.000 0.994 258 T HN 0.199 nan 8.240 nan 0.000 0.594 259 L N 2.525 123.709 121.223 -0.065 0.000 2.334 259 L HA 0.708 5.044 4.340 -0.007 0.000 0.277 259 L C -1.001 175.862 176.870 -0.012 0.000 1.075 259 L CA -0.076 54.746 54.840 -0.031 0.000 0.804 259 L CB 1.177 43.231 42.059 -0.009 0.000 1.174 259 L HN 0.258 nan 8.230 nan 0.000 0.438 260 D N 4.346 124.748 120.400 0.003 0.000 2.479 260 D HA 0.357 4.993 4.640 -0.007 0.000 0.247 260 D C -2.162 174.148 176.300 0.018 0.000 1.119 260 D CA -1.752 52.254 54.000 0.009 0.000 0.922 260 D CB 0.889 41.697 40.800 0.013 0.000 1.014 260 D HN 0.322 nan 8.370 nan 0.000 0.510 261 P HA -0.214 nan 4.420 nan 0.000 0.218 261 P C 0.308 177.614 177.300 0.008 0.000 1.152 261 P CA 1.273 64.380 63.100 0.012 0.000 0.857 261 P CB 0.141 31.844 31.700 0.004 0.000 0.787 262 N N -2.280 116.423 118.700 0.006 0.000 2.214 262 N HA 0.135 4.871 4.740 -0.007 0.000 0.214 262 N C -0.420 175.093 175.510 0.005 0.000 1.132 262 N CA 0.012 53.062 53.050 -0.000 0.000 0.856 262 N CB 0.418 38.901 38.487 -0.006 0.000 1.020 262 N HN -0.137 nan 8.380 nan 0.000 0.509 263 S N 1.035 116.747 115.700 0.020 0.000 2.381 263 S HA 0.314 4.780 4.470 -0.007 0.000 0.193 263 S C -2.899 171.744 174.600 0.071 0.000 1.287 263 S CA -1.183 57.039 58.200 0.035 0.000 1.199 263 S CB 0.433 63.650 63.200 0.028 0.000 1.214 263 S HN -0.103 nan 8.310 nan 0.000 0.444 264 P HA 0.300 nan 4.420 nan 0.000 0.271 264 P C 0.386 177.846 177.300 0.267 0.000 1.226 264 P CA -0.240 62.980 63.100 0.199 0.000 0.765 264 P CB 0.544 32.419 31.700 0.291 0.000 0.835 265 R N 1.913 122.507 120.500 0.156 0.000 2.115 265 R HA 0.010 4.347 4.340 -0.007 0.000 0.226 265 R C 0.259 176.543 176.300 -0.026 0.000 1.100 265 R CA 1.283 57.443 56.100 0.100 0.000 0.980 265 R CB -0.154 30.170 30.300 0.041 0.000 0.875 265 R HN 0.671 nan 8.270 nan 0.000 0.445 266 D N -3.906 116.355 120.400 -0.232 0.000 2.738 266 D HA -0.044 4.592 4.640 -0.007 0.000 0.308 266 D C 0.097 176.023 176.300 -0.623 0.000 1.311 266 D CA -0.794 52.730 54.000 -0.794 0.000 0.799 266 D CB -0.310 40.301 40.800 -0.314 0.000 1.332 266 D HN -0.194 nan 8.370 nan 0.000 0.441 267 F N 0.333 119.891 119.950 -0.654 0.000 2.063 267 F HA -0.209 4.314 4.527 -0.006 0.000 0.298 267 F C 1.957 177.856 175.800 0.165 0.000 1.105 267 F CA 1.952 59.911 58.000 -0.069 0.000 1.215 267 F CB -0.212 38.784 39.000 -0.007 0.000 0.972 267 F HN 0.397 nan 8.300 nan 0.000 0.483 268 I N -0.108 120.664 120.570 0.335 0.000 2.335 268 I HA -0.333 3.833 4.170 -0.007 0.000 0.251 268 I C 1.903 178.155 176.117 0.226 0.000 1.129 268 I CA 1.459 62.928 61.300 0.282 0.000 1.402 268 I CB -0.536 37.581 38.000 0.195 0.000 1.069 268 I HN 0.186 nan 8.210 nan 0.000 0.424 269 D N 0.250 120.749 120.400 0.164 0.000 2.091 269 D HA -0.101 4.535 4.640 -0.007 0.000 0.199 269 D C 2.405 178.821 176.300 0.193 0.000 0.980 269 D CA 1.246 55.337 54.000 0.153 0.000 0.831 269 D CB -0.305 40.570 40.800 0.126 0.000 0.987 269 D HN 0.114 nan 8.370 nan 0.000 0.460 270 S N 0.427 116.271 115.700 0.240 0.000 2.378 270 S HA -0.226 4.240 4.470 -0.007 0.000 0.229 270 S C 1.850 176.628 174.600 0.297 0.000 1.052 270 S CA 1.010 59.352 58.200 0.237 0.000 1.084 270 S CB -0.665 62.672 63.200 0.229 0.000 0.950 270 S HN 0.272 nan 8.310 nan 0.000 0.440 271 F N 1.546 121.627 119.950 0.217 0.000 2.069 271 F HA -0.118 4.406 4.527 -0.006 0.000 0.298 271 F C 1.996 177.808 175.800 0.020 0.000 1.113 271 F CA 1.321 59.353 58.000 0.053 0.000 1.214 271 F CB -0.198 38.833 39.000 0.051 0.000 0.978 271 F HN 0.096 nan 8.300 nan 0.000 0.474 272 L N -0.236 121.198 121.223 0.351 0.000 2.450 272 L HA -0.217 4.119 4.340 -0.007 0.000 0.224 272 L C 1.915 178.857 176.870 0.120 0.000 1.149 272 L CA 0.790 55.766 54.840 0.226 0.000 0.816 272 L CB -0.394 41.758 42.059 0.155 0.000 0.932 272 L HN 0.282 nan 8.230 nan 0.000 0.449 273 I N -1.285 119.333 120.570 0.080 0.000 2.494 273 I HA -0.153 4.013 4.170 -0.007 0.000 0.250 273 I C 2.576 178.661 176.117 -0.053 0.000 1.112 273 I CA 0.432 61.743 61.300 0.018 0.000 1.438 273 I CB -0.040 37.972 38.000 0.021 0.000 1.111 273 I HN 0.052 nan 8.210 nan 0.000 0.431 274 R N 0.778 121.189 120.500 -0.148 0.000 2.152 274 R HA -0.064 4.272 4.340 -0.007 0.000 0.232 274 R C 2.171 178.329 176.300 -0.237 0.000 1.117 274 R CA 1.425 57.320 56.100 -0.342 0.000 0.981 274 R CB -0.160 29.666 30.300 -0.791 0.000 0.870 274 R HN 0.262 nan 8.270 nan 0.000 0.451 275 M N -0.615 118.942 119.600 -0.072 0.000 2.200 275 M HA -0.156 4.320 4.480 -0.007 0.000 0.265 275 M C 2.071 178.412 176.300 0.070 0.000 1.066 275 M CA 1.618 56.971 55.300 0.089 0.000 1.127 275 M CB -0.016 32.718 32.600 0.223 0.000 1.379 275 M HN 0.254 nan 8.290 nan 0.000 0.420 276 Q N -0.017 119.805 119.800 0.037 0.000 2.083 276 Q HA -0.164 4.172 4.340 -0.007 0.000 0.198 276 Q C 1.752 177.758 176.000 0.009 0.000 0.969 276 Q CA 1.301 57.121 55.803 0.028 0.000 0.838 276 Q CB 0.060 28.811 28.738 0.021 0.000 0.900 276 Q HN 0.520 nan 8.270 nan 0.000 0.436 277 E N 0.609 120.796 120.200 -0.022 0.000 2.085 277 E HA -0.181 4.165 4.350 -0.007 0.000 0.194 277 E C 0.672 177.260 176.600 -0.020 0.000 0.994 277 E CA 0.969 57.347 56.400 -0.036 0.000 0.801 277 E CB 0.113 29.767 29.700 -0.077 0.000 0.743 277 E HN 0.321 nan 8.360 nan 0.000 0.453 278 E N 0.165 120.359 120.200 -0.010 0.000 2.496 278 E HA 0.018 4.364 4.350 -0.007 0.000 0.202 278 E C 0.734 177.375 176.600 0.068 0.000 1.021 278 E CA -0.148 56.268 56.400 0.027 0.000 1.015 278 E CB 0.451 30.172 29.700 0.035 0.000 1.102 278 E HN 0.222 nan 8.360 nan 0.000 0.452 279 E N 1.333 121.568 120.200 0.057 0.000 2.209 279 E HA -0.179 4.167 4.350 -0.007 0.000 0.196 279 E C 1.165 177.800 176.600 0.059 0.000 0.993 279 E CA 1.118 57.559 56.400 0.068 0.000 0.819 279 E CB 0.282 30.012 29.700 0.051 0.000 0.745 279 E HN 0.035 nan 8.360 nan 0.000 0.477 280 K N -0.245 120.183 120.400 0.046 0.000 2.374 280 K HA 0.082 4.398 4.320 -0.007 0.000 0.202 280 K C 0.021 176.645 176.600 0.039 0.000 1.040 280 K CA -0.265 56.044 56.287 0.037 0.000 1.085 280 K CB 0.495 33.010 32.500 0.025 0.000 0.873 280 K HN -0.089 nan 8.250 nan 0.000 0.539 281 N N 2.426 121.157 118.700 0.052 0.000 2.406 281 N HA 0.030 4.766 4.740 -0.007 0.000 0.265 281 N C -2.163 173.388 175.510 0.068 0.000 1.203 281 N CA -1.703 51.381 53.050 0.058 0.000 0.945 281 N CB 1.051 39.579 38.487 0.068 0.000 1.165 281 N HN -0.085 nan 8.380 nan 0.000 0.485 282 P HA 0.077 nan 4.420 nan 0.000 0.242 282 P C -0.151 177.181 177.300 0.053 0.000 1.197 282 P CA 0.682 63.807 63.100 0.041 0.000 0.765 282 P CB 0.333 32.048 31.700 0.025 0.000 0.936 283 N N -1.890 116.853 118.700 0.072 0.000 2.177 283 N HA 0.032 4.768 4.740 -0.007 0.000 0.218 283 N C 0.329 175.911 175.510 0.120 0.000 1.182 283 N CA 0.190 53.289 53.050 0.081 0.000 0.882 283 N CB 0.499 39.020 38.487 0.058 0.000 1.052 283 N HN 0.056 nan 8.380 nan 0.000 0.519 284 T N 0.648 115.299 114.554 0.162 0.000 2.898 284 T HA 0.065 4.411 4.350 -0.007 0.000 0.301 284 T C 1.084 175.944 174.700 0.266 0.000 1.049 284 T CA 0.211 62.441 62.100 0.217 0.000 1.095 284 T CB 1.128 70.149 68.868 0.254 0.000 0.976 284 T HN -0.008 nan 8.240 nan 0.000 0.539 285 E N 2.621 122.853 120.200 0.053 0.000 2.452 285 E HA 0.078 4.424 4.350 -0.007 0.000 0.197 285 E C -0.215 175.958 176.600 -0.712 0.000 1.022 285 E CA 0.219 56.451 56.400 -0.279 0.000 0.890 285 E CB 0.137 29.577 29.700 -0.433 0.000 0.918 285 E HN 0.643 nan 8.360 nan 0.000 0.496 286 F N 2.228 122.068 119.950 -0.184 0.000 2.451 286 F HA 0.179 4.702 4.527 -0.007 0.000 0.356 286 F C 0.040 175.892 175.800 0.086 0.000 1.178 286 F CA -0.836 57.061 58.000 -0.171 0.000 1.210 286 F CB -0.355 38.410 39.000 -0.392 0.000 1.504 286 F HN -0.126 nan 8.300 nan 0.000 0.598 287 Y N -0.599 119.891 120.300 0.316 0.000 2.669 287 Y HA 0.520 5.066 4.550 -0.007 0.000 0.335 287 Y C 0.476 176.483 175.900 0.178 0.000 1.116 287 Y CA -1.708 56.525 58.100 0.222 0.000 1.081 287 Y CB 0.155 38.699 38.460 0.140 0.000 1.297 287 Y HN 0.075 nan 8.280 nan 0.000 0.484 288 L N 1.574 122.981 121.223 0.306 0.000 2.013 288 L HA -0.126 4.210 4.340 -0.007 0.000 0.212 288 L C 2.274 179.178 176.870 0.057 0.000 1.073 288 L CA 2.373 57.290 54.840 0.129 0.000 0.753 288 L CB -0.716 41.403 42.059 0.100 0.000 0.890 288 L HN 0.910 nan 8.230 nan 0.000 0.432 289 K N -0.692 119.795 120.400 0.145 0.000 2.009 289 K HA -0.204 4.112 4.320 -0.007 0.000 0.210 289 K C 1.988 178.611 176.600 0.038 0.000 1.049 289 K CA 1.754 58.065 56.287 0.041 0.000 0.929 289 K CB -0.189 32.253 32.500 -0.097 0.000 0.714 289 K HN 0.348 nan 8.250 nan 0.000 0.440 290 N N 0.795 119.503 118.700 0.013 0.000 2.205 290 N HA -0.174 4.563 4.740 -0.007 0.000 0.186 290 N C 1.615 176.998 175.510 -0.211 0.000 1.015 290 N CA 1.167 54.179 53.050 -0.064 0.000 0.862 290 N CB -0.292 38.034 38.487 -0.269 0.000 0.986 290 N HN 0.235 nan 8.380 nan 0.000 0.429 291 L N 0.401 121.332 121.223 -0.487 0.000 2.027 291 L HA -0.008 4.328 4.340 -0.007 0.000 0.206 291 L C 1.917 178.577 176.870 -0.350 0.000 1.074 291 L CA 1.396 55.636 54.840 -1.000 0.000 0.745 291 L CB -0.753 40.705 42.059 -1.002 0.000 0.898 291 L HN -0.118 nan 8.230 nan 0.000 0.433 292 V N -0.127 119.702 119.914 -0.141 0.000 2.427 292 V HA -0.230 3.886 4.120 -0.007 0.000 0.248 292 V C 2.550 178.719 176.094 0.124 0.000 1.051 292 V CA 1.721 64.026 62.300 0.008 0.000 1.048 292 V CB -0.545 31.291 31.823 0.021 0.000 0.666 292 V HN 0.443 nan 8.190 nan 0.000 0.456 293 M N -0.779 118.916 119.600 0.159 0.000 2.334 293 M HA -0.030 4.446 4.480 -0.007 0.000 0.266 293 M C 2.217 178.692 176.300 0.290 0.000 1.082 293 M CA 1.385 56.913 55.300 0.379 0.000 1.141 293 M CB -1.491 31.397 32.600 0.479 0.000 1.380 293 M HN 0.349 nan 8.290 nan 0.000 0.440 294 T N 0.625 115.259 114.554 0.135 0.000 2.777 294 T HA -0.083 4.263 4.350 -0.007 0.000 0.266 294 T C 1.802 176.531 174.700 0.048 0.000 1.040 294 T CA 1.967 64.129 62.100 0.105 0.000 1.141 294 T CB -0.381 68.608 68.868 0.203 0.000 0.868 294 T HN 0.390 nan 8.240 nan 0.000 0.444 295 T N 2.655 117.230 114.554 0.036 0.000 2.746 295 T HA -0.039 4.307 4.350 -0.007 0.000 0.267 295 T C 1.881 176.680 174.700 0.166 0.000 1.039 295 T CA 0.709 62.806 62.100 -0.005 0.000 1.142 295 T CB -0.504 68.394 68.868 0.049 0.000 0.866 295 T HN 0.078 nan 8.240 nan 0.000 0.444 296 L N 1.876 123.286 121.223 0.311 0.000 2.046 296 L HA -0.042 4.294 4.340 -0.007 0.000 0.208 296 L C 1.893 179.046 176.870 0.471 0.000 1.077 296 L CA 1.617 56.756 54.840 0.498 0.000 0.747 296 L CB -1.153 41.242 42.059 0.560 0.000 0.896 296 L HN 0.255 nan 8.230 nan 0.000 0.432 297 N N -0.851 118.020 118.700 0.287 0.000 2.036 297 N HA -0.243 4.493 4.740 -0.007 0.000 0.195 297 N C 1.834 177.377 175.510 0.056 0.000 1.037 297 N CA 1.877 54.957 53.050 0.049 0.000 0.855 297 N CB -0.302 38.094 38.487 -0.152 0.000 1.033 297 N HN 0.330 nan 8.380 nan 0.000 0.423 298 L N -0.509 120.728 121.223 0.023 0.000 2.027 298 L HA -0.106 4.230 4.340 -0.007 0.000 0.206 298 L C 2.144 179.074 176.870 0.100 0.000 1.074 298 L CA 0.689 55.513 54.840 -0.028 0.000 0.745 298 L CB -0.493 41.441 42.059 -0.207 0.000 0.898 298 L HN 0.171 nan 8.230 nan 0.000 0.433 299 F N 0.448 120.384 119.950 -0.022 0.000 2.091 299 F HA -0.301 4.222 4.527 -0.007 0.000 0.299 299 F C 2.323 178.194 175.800 0.118 0.000 1.103 299 F CA 1.347 59.375 58.000 0.047 0.000 1.228 299 F CB -0.530 38.553 39.000 0.139 0.000 0.984 299 F HN -0.061 nan 8.300 nan 0.000 0.477 300 F N 0.447 120.390 119.950 -0.012 0.000 2.053 300 F HA 0.023 4.546 4.527 -0.007 0.000 0.292 300 F C 2.518 178.217 175.800 -0.168 0.000 1.125 300 F CA 1.674 59.587 58.000 -0.145 0.000 1.193 300 F CB -1.239 37.769 39.000 0.014 0.000 0.996 300 F HN -0.026 nan 8.300 nan 0.000 0.470 301 A N -0.070 122.885 122.820 0.225 0.000 1.940 301 A HA -0.099 4.217 4.320 -0.007 0.000 0.219 301 A C 2.371 179.961 177.584 0.010 0.000 1.176 301 A CA 1.729 53.802 52.037 0.060 0.000 0.631 301 A CB -1.766 17.198 19.000 -0.059 0.000 0.814 301 A HN 0.501 nan 8.150 nan 0.000 0.446 302 G N -2.280 106.529 108.800 0.014 0.000 2.744 302 G HA2 0.117 4.073 3.960 -0.007 0.000 0.211 302 G HA3 0.117 4.073 3.960 -0.007 0.000 0.211 302 G C 1.274 176.180 174.900 0.011 0.000 1.143 302 G CA 1.442 46.556 45.100 0.023 0.000 0.788 302 G HN 0.450 nan 8.290 nan 0.000 0.534 303 T N -0.289 114.220 114.554 -0.076 0.000 3.087 303 T HA 0.080 4.426 4.350 -0.007 0.000 0.237 303 T C 2.052 176.625 174.700 -0.211 0.000 0.990 303 T CA 0.823 62.827 62.100 -0.160 0.000 1.160 303 T CB 0.210 68.861 68.868 -0.361 0.000 0.923 303 T HN 0.220 nan 8.240 nan 0.000 0.442 304 E N 1.231 121.257 120.200 -0.289 0.000 2.170 304 E HA -0.043 4.303 4.350 -0.007 0.000 0.191 304 E C 2.305 178.656 176.600 -0.415 0.000 0.981 304 E CA 1.367 57.493 56.400 -0.455 0.000 0.830 304 E CB -0.255 29.016 29.700 -0.716 0.000 0.775 304 E HN 0.587 nan 8.360 nan 0.000 0.470 305 T N -1.987 112.414 114.554 -0.255 0.000 2.812 305 T HA -0.071 4.275 4.350 -0.007 0.000 0.264 305 T C 1.998 176.684 174.700 -0.023 0.000 1.042 305 T CA 1.137 63.186 62.100 -0.084 0.000 1.140 305 T CB -0.665 68.205 68.868 0.002 0.000 0.870 305 T HN -0.027 nan 8.240 nan 0.000 0.445 306 V N 2.084 121.990 119.914 -0.012 0.000 2.295 306 V HA -0.167 3.949 4.120 -0.007 0.000 0.246 306 V C 3.109 179.185 176.094 -0.029 0.000 1.049 306 V CA 1.999 64.312 62.300 0.021 0.000 1.024 306 V CB -1.026 30.841 31.823 0.073 0.000 0.648 306 V HN 0.676 nan 8.190 nan 0.000 0.447 307 S N 0.076 115.730 115.700 -0.077 0.000 2.370 307 S HA -0.254 4.212 4.470 -0.007 0.000 0.226 307 S C 2.031 176.591 174.600 -0.068 0.000 1.033 307 S CA 2.524 60.656 58.200 -0.113 0.000 1.011 307 S CB -0.521 62.573 63.200 -0.177 0.000 0.852 307 S HN 0.712 nan 8.310 nan 0.000 0.457 308 T N 1.369 115.904 114.554 -0.032 0.000 2.737 308 T HA -0.070 4.277 4.350 -0.007 0.000 0.265 308 T C 2.001 176.781 174.700 0.134 0.000 1.038 308 T CA 1.839 63.980 62.100 0.069 0.000 1.144 308 T CB -1.240 67.725 68.868 0.161 0.000 0.866 308 T HN 0.524 nan 8.240 nan 0.000 0.434 309 T N 3.009 117.630 114.554 0.111 0.000 2.580 309 T HA -0.077 4.269 4.350 -0.007 0.000 0.265 309 T C 2.029 176.821 174.700 0.153 0.000 1.063 309 T CA 1.268 63.460 62.100 0.155 0.000 1.170 309 T CB -0.811 68.124 68.868 0.111 0.000 0.863 309 T HN 0.225 nan 8.240 nan 0.000 0.418 310 L N 0.346 121.531 121.223 -0.064 0.000 2.034 310 L HA -0.242 4.094 4.340 -0.007 0.000 0.217 310 L C 2.882 179.676 176.870 -0.126 0.000 1.077 310 L CA 1.754 56.370 54.840 -0.374 0.000 0.769 310 L CB -0.540 41.253 42.059 -0.442 0.000 0.890 310 L HN 0.192 nan 8.230 nan 0.000 0.435 311 R N -0.957 119.587 120.500 0.073 0.000 2.070 311 R HA -0.214 4.122 4.340 -0.007 0.000 0.233 311 R C 2.433 178.903 176.300 0.283 0.000 1.137 311 R CA 1.699 57.941 56.100 0.237 0.000 0.945 311 R CB -0.510 29.884 30.300 0.157 0.000 0.845 311 R HN 0.259 nan 8.270 nan 0.000 0.430 312 Y N -0.145 120.238 120.300 0.139 0.000 2.193 312 Y HA -0.244 4.302 4.550 -0.006 0.000 0.285 312 Y C 2.229 178.145 175.900 0.026 0.000 1.166 312 Y CA 1.331 59.482 58.100 0.085 0.000 1.181 312 Y CB -0.281 38.242 38.460 0.105 0.000 0.976 312 Y HN 0.315 nan 8.280 nan 0.000 0.520 313 G N -0.915 108.051 108.800 0.276 0.000 2.404 313 G HA2 -0.255 3.701 3.960 -0.007 0.000 0.215 313 G HA3 -0.255 3.701 3.960 -0.007 0.000 0.215 313 G C 1.472 176.390 174.900 0.030 0.000 1.174 313 G CA 0.856 46.029 45.100 0.122 0.000 0.780 313 G HN 0.452 nan 8.290 nan 0.000 0.537 314 F N -0.081 120.053 119.950 0.306 0.000 2.171 314 F HA -0.034 4.489 4.527 -0.007 0.000 0.300 314 F C 2.482 178.255 175.800 -0.044 0.000 1.090 314 F CA 0.330 58.432 58.000 0.170 0.000 1.293 314 F CB -0.218 38.945 39.000 0.273 0.000 1.013 314 F HN 0.113 nan 8.300 nan 0.000 0.486 315 L N -0.043 121.170 121.223 -0.017 0.000 2.017 315 L HA -0.212 4.124 4.340 -0.007 0.000 0.208 315 L C 2.112 178.823 176.870 -0.266 0.000 1.073 315 L CA 1.470 56.081 54.840 -0.383 0.000 0.745 315 L CB -0.750 40.881 42.059 -0.713 0.000 0.894 315 L HN 0.003 nan 8.230 nan 0.000 0.432 316 L N -0.792 120.277 121.223 -0.257 0.000 2.079 316 L HA -0.222 4.114 4.340 -0.007 0.000 0.210 316 L C 2.412 179.031 176.870 -0.418 0.000 1.081 316 L CA 1.775 56.294 54.840 -0.535 0.000 0.752 316 L CB -1.170 40.328 42.059 -0.936 0.000 0.896 316 L HN 0.301 nan 8.230 nan 0.000 0.433 317 L N -2.304 118.790 121.223 -0.214 0.000 2.240 317 L HA -0.126 4.210 4.340 -0.007 0.000 0.211 317 L C 2.414 179.261 176.870 -0.039 0.000 1.106 317 L CA 0.525 55.323 54.840 -0.070 0.000 0.793 317 L CB -0.268 41.813 42.059 0.037 0.000 0.927 317 L HN 0.219 nan 8.230 nan 0.000 0.446 318 M N -0.353 119.202 119.600 -0.076 0.000 2.123 318 M HA -0.178 4.298 4.480 -0.007 0.000 0.263 318 M C 2.316 178.537 176.300 -0.132 0.000 1.069 318 M CA 1.494 56.740 55.300 -0.090 0.000 1.133 318 M CB -0.151 32.385 32.600 -0.106 0.000 1.356 318 M HN -0.031 nan 8.290 nan 0.000 0.415 319 K N 0.117 120.392 120.400 -0.208 0.000 2.160 319 K HA -0.161 4.155 4.320 -0.007 0.000 0.206 319 K C -0.299 176.000 176.600 -0.502 0.000 1.047 319 K CA 1.453 57.535 56.287 -0.342 0.000 0.930 319 K CB -0.117 32.143 32.500 -0.400 0.000 0.720 319 K HN 0.420 nan 8.250 nan 0.000 0.450 320 H N -0.620 118.373 119.070 -0.129 0.000 2.423 320 H HA 0.196 4.749 4.556 -0.007 0.000 0.237 320 H C -2.057 173.269 175.328 -0.003 0.000 1.391 320 H CA -1.908 54.113 56.048 -0.043 0.000 1.453 320 H CB 1.367 31.128 29.762 -0.000 0.000 1.484 320 H HN 0.129 nan 8.280 nan 0.000 0.505 321 P HA -0.191 nan 4.420 nan 0.000 0.219 321 P C 0.834 178.186 177.300 0.087 0.000 1.146 321 P CA 1.188 64.324 63.100 0.060 0.000 0.808 321 P CB 0.605 32.324 31.700 0.032 0.000 0.779 322 E N -0.331 119.930 120.200 0.102 0.000 2.204 322 E HA -0.067 4.279 4.350 -0.007 0.000 0.194 322 E C 1.996 178.665 176.600 0.115 0.000 0.989 322 E CA 0.750 57.206 56.400 0.094 0.000 0.824 322 E CB -0.346 29.408 29.700 0.090 0.000 0.756 322 E HN 0.151 nan 8.360 nan 0.000 0.477 323 V N 1.418 121.441 119.914 0.182 0.000 2.346 323 V HA -0.219 3.897 4.120 -0.007 0.000 0.244 323 V C 2.388 178.609 176.094 0.211 0.000 1.037 323 V CA 1.798 64.257 62.300 0.265 0.000 1.029 323 V CB -0.442 31.568 31.823 0.312 0.000 0.663 323 V HN 0.257 nan 8.190 nan 0.000 0.454 324 E N 0.675 120.942 120.200 0.111 0.000 2.085 324 E HA -0.271 4.075 4.350 -0.007 0.000 0.194 324 E C 2.196 178.777 176.600 -0.032 0.000 0.994 324 E CA 1.571 57.966 56.400 -0.008 0.000 0.801 324 E CB -0.208 29.481 29.700 -0.018 0.000 0.743 324 E HN 0.557 nan 8.360 nan 0.000 0.453 325 A N 1.314 124.173 122.820 0.065 0.000 1.902 325 A HA -0.206 4.110 4.320 -0.007 0.000 0.217 325 A C 2.027 179.644 177.584 0.054 0.000 1.181 325 A CA 1.759 53.856 52.037 0.100 0.000 0.623 325 A CB -0.342 18.704 19.000 0.076 0.000 0.818 325 A HN 0.186 nan 8.150 nan 0.000 0.443 326 K N -0.426 119.956 120.400 -0.030 0.000 2.103 326 K HA -0.007 4.309 4.320 -0.007 0.000 0.204 326 K C 1.837 178.404 176.600 -0.055 0.000 1.052 326 K CA 1.169 57.340 56.287 -0.194 0.000 0.945 326 K CB -0.346 31.764 32.500 -0.650 0.000 0.722 326 K HN 0.299 nan 8.250 nan 0.000 0.443 327 V N 1.210 121.194 119.914 0.115 0.000 2.295 327 V HA -0.272 3.844 4.120 -0.007 0.000 0.246 327 V C 1.972 178.138 176.094 0.120 0.000 1.049 327 V CA 1.826 64.226 62.300 0.166 0.000 1.024 327 V CB -0.639 31.238 31.823 0.090 0.000 0.648 327 V HN 0.363 nan 8.190 nan 0.000 0.447 328 H N -0.735 118.396 119.070 0.102 0.000 2.321 328 H HA -0.168 4.384 4.556 -0.007 0.000 0.300 328 H C 2.538 177.895 175.328 0.049 0.000 1.087 328 H CA 1.455 57.548 56.048 0.076 0.000 1.319 328 H CB 0.129 29.934 29.762 0.072 0.000 1.379 328 H HN 0.364 nan 8.280 nan 0.000 0.501 329 E N 1.315 121.609 120.200 0.157 0.000 2.033 329 E HA -0.259 4.087 4.350 -0.007 0.000 0.199 329 E C 2.113 178.756 176.600 0.071 0.000 1.011 329 E CA 1.543 57.989 56.400 0.077 0.000 0.815 329 E CB -0.104 29.611 29.700 0.025 0.000 0.755 329 E HN 0.562 nan 8.360 nan 0.000 0.451 330 E N 0.058 120.306 120.200 0.079 0.000 2.077 330 E HA -0.172 4.174 4.350 -0.007 0.000 0.193 330 E C 2.482 179.143 176.600 0.101 0.000 0.989 330 E CA 1.106 57.561 56.400 0.091 0.000 0.800 330 E CB -0.155 29.622 29.700 0.128 0.000 0.746 330 E HN 0.312 nan 8.360 nan 0.000 0.452 331 I N 1.518 122.160 120.570 0.120 0.000 2.151 331 I HA -0.309 3.857 4.170 -0.007 0.000 0.243 331 I C 1.947 178.108 176.117 0.074 0.000 1.080 331 I CA 1.434 62.799 61.300 0.108 0.000 1.339 331 I CB -0.227 37.853 38.000 0.134 0.000 1.039 331 I HN 0.120 nan 8.210 nan 0.000 0.409 332 D N -0.091 120.347 120.400 0.064 0.000 2.183 332 D HA -0.136 4.500 4.640 -0.007 0.000 0.203 332 D C 2.147 178.455 176.300 0.013 0.000 0.969 332 D CA 0.794 54.805 54.000 0.019 0.000 0.842 332 D CB -0.196 40.603 40.800 -0.001 0.000 0.957 332 D HN 0.291 nan 8.370 nan 0.000 0.484 333 R N 0.777 121.294 120.500 0.028 0.000 2.061 333 R HA -0.080 4.256 4.340 -0.007 0.000 0.230 333 R C 2.089 178.406 176.300 0.029 0.000 1.140 333 R CA 1.130 57.244 56.100 0.024 0.000 0.940 333 R CB -0.242 30.075 30.300 0.028 0.000 0.839 333 R HN -0.052 nan 8.270 nan 0.000 0.429 334 V N 0.620 120.561 119.914 0.045 0.000 2.379 334 V HA -0.149 3.967 4.120 -0.007 0.000 0.245 334 V C 2.159 178.281 176.094 0.047 0.000 1.044 334 V CA 1.695 64.025 62.300 0.050 0.000 1.036 334 V CB -0.184 31.682 31.823 0.072 0.000 0.664 334 V HN 0.361 nan 8.190 nan 0.000 0.453 335 I N -1.262 119.337 120.570 0.049 0.000 3.172 335 I HA 0.418 4.584 4.170 -0.007 0.000 0.278 335 I C 1.410 177.538 176.117 0.018 0.000 1.174 335 I CA 0.763 62.088 61.300 0.042 0.000 1.445 335 I CB -0.256 37.777 38.000 0.055 0.000 1.175 335 I HN 0.452 nan 8.210 nan 0.000 0.447 336 G N 2.062 110.864 108.800 0.003 0.000 2.752 336 G HA2 -0.250 3.706 3.960 -0.007 0.000 0.234 336 G HA3 -0.250 3.706 3.960 -0.007 0.000 0.234 336 G C 0.340 175.216 174.900 -0.040 0.000 1.367 336 G CA -0.101 44.984 45.100 -0.025 0.000 0.879 336 G HN 0.212 nan 8.290 nan 0.000 0.563 337 K N 0.269 120.630 120.400 -0.064 0.000 2.367 337 K HA 0.116 4.432 4.320 -0.007 0.000 0.194 337 K C 1.375 177.957 176.600 -0.030 0.000 1.027 337 K CA 0.233 56.477 56.287 -0.071 0.000 1.075 337 K CB 0.268 32.687 32.500 -0.135 0.000 0.845 337 K HN 0.479 nan 8.250 nan 0.000 0.529 338 N N 1.807 120.497 118.700 -0.017 0.000 2.270 338 N HA 0.012 4.748 4.740 -0.007 0.000 0.198 338 N C -0.040 175.472 175.510 0.003 0.000 1.117 338 N CA 0.091 53.139 53.050 -0.003 0.000 0.845 338 N CB 0.602 39.089 38.487 0.000 0.000 0.980 338 N HN 0.288 nan 8.380 nan 0.000 0.486 339 R N -0.691 119.811 120.500 0.004 0.000 2.734 339 R HA 0.311 4.647 4.340 -0.007 0.000 0.271 339 R C -1.195 175.113 176.300 0.013 0.000 1.021 339 R CA -0.790 55.317 56.100 0.011 0.000 0.893 339 R CB 1.217 31.527 30.300 0.017 0.000 1.244 339 R HN -0.170 nan 8.270 nan 0.000 0.464 340 Q N 1.094 120.904 119.800 0.017 0.000 2.354 340 Q HA 0.295 4.631 4.340 -0.007 0.000 0.244 340 Q C -2.094 173.930 176.000 0.040 0.000 0.969 340 Q CA -1.836 53.981 55.803 0.022 0.000 0.885 340 Q CB 0.997 29.746 28.738 0.017 0.000 1.241 340 Q HN 0.396 nan 8.270 nan 0.000 0.461 341 P HA -0.091 nan 4.420 nan 0.000 0.266 341 P C -1.100 176.275 177.300 0.125 0.000 1.193 341 P CA 0.500 63.645 63.100 0.074 0.000 0.770 341 P CB 0.367 32.058 31.700 -0.016 0.000 0.836 342 K N 1.875 122.401 120.400 0.209 0.000 2.435 342 K HA 0.335 4.651 4.320 -0.007 0.000 0.251 342 K C 0.098 176.921 176.600 0.370 0.000 0.954 342 K CA -0.691 55.733 56.287 0.229 0.000 0.820 342 K CB 0.877 33.462 32.500 0.140 0.000 1.292 342 K HN 0.067 nan 8.250 nan 0.000 0.436 343 F N 2.436 122.476 119.950 0.150 0.000 2.154 343 F HA -0.207 4.316 4.527 -0.007 0.000 0.301 343 F C 2.054 177.797 175.800 -0.095 0.000 1.087 343 F CA 2.368 60.413 58.000 0.074 0.000 1.274 343 F CB -0.065 38.944 39.000 0.015 0.000 1.009 343 F HN 0.873 nan 8.300 nan 0.000 0.485 344 E N -1.095 119.072 120.200 -0.054 0.000 2.268 344 E HA -0.199 4.147 4.350 -0.007 0.000 0.195 344 E C 1.477 177.973 176.600 -0.173 0.000 0.995 344 E CA 1.196 57.491 56.400 -0.174 0.000 0.836 344 E CB -0.613 29.051 29.700 -0.060 0.000 0.763 344 E HN 0.305 nan 8.360 nan 0.000 0.491 345 D N 1.597 121.968 120.400 -0.047 0.000 2.190 345 D HA -0.203 4.433 4.640 -0.007 0.000 0.200 345 D C 1.818 178.053 176.300 -0.109 0.000 0.992 345 D CA 0.973 54.993 54.000 0.033 0.000 0.854 345 D CB -0.327 40.634 40.800 0.268 0.000 0.936 345 D HN 0.255 nan 8.370 nan 0.000 0.462 346 R N 0.588 120.764 120.500 -0.540 0.000 2.159 346 R HA -0.271 4.065 4.340 -0.007 0.000 0.252 346 R C 2.123 178.170 176.300 -0.421 0.000 1.144 346 R CA 2.018 57.611 56.100 -0.845 0.000 0.961 346 R CB -0.293 29.273 30.300 -1.223 0.000 0.877 346 R HN 0.169 nan 8.270 nan 0.000 0.444 347 A N 0.232 122.852 122.820 -0.334 0.000 1.972 347 A HA -0.167 4.149 4.320 -0.007 0.000 0.219 347 A C 1.737 179.254 177.584 -0.112 0.000 1.169 347 A CA 1.754 53.665 52.037 -0.211 0.000 0.635 347 A CB -0.155 18.741 19.000 -0.173 0.000 0.810 347 A HN 0.295 nan 8.150 nan 0.000 0.446 348 K N -1.010 119.346 120.400 -0.073 0.000 2.404 348 K HA 0.316 4.632 4.320 -0.007 0.000 0.194 348 K C 0.037 176.653 176.600 0.027 0.000 1.023 348 K CA 0.317 56.597 56.287 -0.012 0.000 1.094 348 K CB 0.358 32.862 32.500 0.007 0.000 0.841 348 K HN 0.455 nan 8.250 nan 0.000 0.523 349 M N 1.620 121.232 119.600 0.019 0.000 2.386 349 M HA 0.199 4.675 4.480 -0.007 0.000 0.245 349 M C -1.970 174.366 176.300 0.061 0.000 0.982 349 M CA -1.656 53.702 55.300 0.096 0.000 0.860 349 M CB 1.279 34.010 32.600 0.217 0.000 1.371 349 M HN -0.150 nan 8.290 nan 0.000 0.425 350 P HA -0.169 nan 4.420 nan 0.000 0.217 350 P C 1.183 178.588 177.300 0.175 0.000 1.151 350 P CA 1.339 64.505 63.100 0.109 0.000 0.828 350 P CB 0.112 31.902 31.700 0.149 0.000 0.788 351 Y N 0.659 121.014 120.300 0.091 0.000 2.114 351 Y HA -0.170 4.376 4.550 -0.007 0.000 0.284 351 Y C 2.683 178.640 175.900 0.095 0.000 1.143 351 Y CA 1.864 60.017 58.100 0.090 0.000 1.135 351 Y CB -0.945 37.554 38.460 0.065 0.000 0.980 351 Y HN -0.221 nan 8.280 nan 0.000 0.499 352 M N 0.495 120.185 119.600 0.149 0.000 2.108 352 M HA -0.186 4.290 4.480 -0.007 0.000 0.261 352 M C 1.958 178.302 176.300 0.074 0.000 1.066 352 M CA 2.171 57.538 55.300 0.112 0.000 1.107 352 M CB -0.506 32.240 32.600 0.243 0.000 1.356 352 M HN 0.250 nan 8.290 nan 0.000 0.406 353 E N -0.271 119.960 120.200 0.052 0.000 2.077 353 E HA -0.091 4.255 4.350 -0.007 0.000 0.193 353 E C 1.845 178.450 176.600 0.008 0.000 0.989 353 E CA 1.789 58.145 56.400 -0.073 0.000 0.800 353 E CB -0.355 29.081 29.700 -0.440 0.000 0.746 353 E HN 0.592 nan 8.360 nan 0.000 0.452 354 A N -0.273 122.585 122.820 0.064 0.000 1.929 354 A HA -0.069 4.248 4.320 -0.007 0.000 0.216 354 A C 2.406 179.917 177.584 -0.121 0.000 1.176 354 A CA 1.245 53.328 52.037 0.076 0.000 0.628 354 A CB -0.477 18.562 19.000 0.064 0.000 0.816 354 A HN 0.190 nan 8.150 nan 0.000 0.444 355 V N 0.441 120.198 119.914 -0.261 0.000 2.295 355 V HA -0.268 3.849 4.120 -0.007 0.000 0.246 355 V C 2.405 178.417 176.094 -0.138 0.000 1.049 355 V CA 2.080 64.232 62.300 -0.246 0.000 1.024 355 V CB -0.709 30.958 31.823 -0.260 0.000 0.648 355 V HN 0.586 nan 8.190 nan 0.000 0.447 356 I N -0.563 119.956 120.570 -0.085 0.000 2.286 356 I HA -0.254 3.912 4.170 -0.007 0.000 0.248 356 I C 2.480 178.580 176.117 -0.028 0.000 1.115 356 I CA 1.628 62.912 61.300 -0.026 0.000 1.392 356 I CB -0.605 37.476 38.000 0.136 0.000 1.065 356 I HN 0.350 nan 8.210 nan 0.000 0.418 357 H N 0.164 119.070 119.070 -0.273 0.000 2.353 357 H HA -0.179 4.373 4.556 -0.006 0.000 0.300 357 H C 2.141 177.290 175.328 -0.299 0.000 1.090 357 H CA 1.504 57.194 56.048 -0.598 0.000 1.327 357 H CB -0.078 28.698 29.762 -1.644 0.000 1.383 357 H HN 0.217 nan 8.280 nan 0.000 0.508 358 E N 0.541 120.684 120.200 -0.095 0.000 2.106 358 E HA -0.074 4.272 4.350 -0.007 0.000 0.192 358 E C 2.039 178.707 176.600 0.114 0.000 0.984 358 E CA 0.672 57.084 56.400 0.019 0.000 0.806 358 E CB -0.275 29.250 29.700 -0.293 0.000 0.750 358 E HN 0.466 nan 8.360 nan 0.000 0.458 359 I N 0.433 121.094 120.570 0.151 0.000 2.226 359 I HA -0.317 3.849 4.170 -0.007 0.000 0.245 359 I C 2.430 178.624 176.117 0.128 0.000 1.100 359 I CA 1.335 62.759 61.300 0.207 0.000 1.374 359 I CB -0.268 37.779 38.000 0.078 0.000 1.057 359 I HN 0.210 nan 8.210 nan 0.000 0.413 360 Q N -0.084 119.781 119.800 0.109 0.000 2.119 360 Q HA -0.185 4.152 4.340 -0.007 0.000 0.201 360 Q C 2.356 178.339 176.000 -0.028 0.000 0.972 360 Q CA 1.034 56.854 55.803 0.030 0.000 0.847 360 Q CB -0.080 28.695 28.738 0.062 0.000 0.903 360 Q HN 0.419 nan 8.270 nan 0.000 0.433 361 R N 0.029 120.584 120.500 0.092 0.000 2.064 361 R HA -0.138 4.198 4.340 -0.007 0.000 0.228 361 R C 2.123 178.385 176.300 -0.065 0.000 1.144 361 R CA 1.294 57.402 56.100 0.013 0.000 0.932 361 R CB -0.374 29.967 30.300 0.068 0.000 0.833 361 R HN 0.181 nan 8.270 nan 0.000 0.429 362 F N 0.722 120.607 119.950 -0.108 0.000 2.065 362 F HA -0.172 4.351 4.527 -0.007 0.000 0.298 362 F C 2.200 177.798 175.800 -0.336 0.000 1.112 362 F CA 2.098 60.015 58.000 -0.139 0.000 1.212 362 F CB -0.844 38.186 39.000 0.049 0.000 0.975 362 F HN 0.192 nan 8.300 nan 0.000 0.476 363 G N -0.739 107.932 108.800 -0.215 0.000 2.513 363 G HA2 -0.387 3.569 3.960 -0.007 0.000 0.219 363 G HA3 -0.387 3.569 3.960 -0.007 0.000 0.219 363 G C 0.418 175.127 174.900 -0.319 0.000 1.160 363 G CA 1.182 45.986 45.100 -0.495 0.000 0.767 363 G HN 0.524 nan 8.290 nan 0.000 0.571 364 D N -1.090 119.152 120.400 -0.262 0.000 2.740 364 D HA -0.141 4.495 4.640 -0.007 0.000 0.231 364 D C 1.362 177.534 176.300 -0.213 0.000 1.194 364 D CA 0.618 54.459 54.000 -0.265 0.000 0.673 364 D CB -1.084 39.517 40.800 -0.331 0.000 0.995 364 D HN 0.152 nan 8.370 nan 0.000 0.411 365 V N 0.710 120.523 119.914 -0.170 0.000 2.358 365 V HA -0.136 3.980 4.120 -0.007 0.000 0.246 365 V C 1.575 177.572 176.094 -0.162 0.000 1.047 365 V CA 1.105 63.357 62.300 -0.079 0.000 1.035 365 V CB -0.137 31.676 31.823 -0.016 0.000 0.658 365 V HN 0.507 nan 8.190 nan 0.000 0.452 366 I N 1.913 122.334 120.570 -0.250 0.000 2.442 366 I HA 0.238 4.404 4.170 -0.007 0.000 0.279 366 I C -1.586 174.355 176.117 -0.294 0.000 1.081 366 I CA -2.079 58.999 61.300 -0.371 0.000 1.197 366 I CB 0.609 38.364 38.000 -0.409 0.000 1.394 366 I HN 0.182 nan 8.210 nan 0.000 0.488 367 P HA -0.062 nan 4.420 nan 0.000 0.217 367 P C 1.118 178.393 177.300 -0.042 0.000 1.150 367 P CA 1.433 64.421 63.100 -0.187 0.000 0.832 367 P CB 0.470 32.030 31.700 -0.232 0.000 0.787 368 M N -1.265 118.284 119.600 -0.084 0.000 2.475 368 M HA 0.291 4.767 4.480 -0.007 0.000 0.283 368 M C 0.938 177.111 176.300 -0.212 0.000 1.165 368 M CA 0.059 55.312 55.300 -0.079 0.000 0.976 368 M CB 0.367 32.922 32.600 -0.076 0.000 1.428 368 M HN -0.067 nan 8.290 nan 0.000 0.495 369 G N 2.017 110.698 108.800 -0.197 0.000 2.598 369 G HA2 -0.264 3.692 3.960 -0.007 0.000 0.269 369 G HA3 -0.264 3.692 3.960 -0.007 0.000 0.269 369 G C -0.870 173.949 174.900 -0.135 0.000 1.289 369 G CA -0.672 44.321 45.100 -0.179 0.000 0.926 369 G HN 0.275 nan 8.290 nan 0.000 0.567 370 L N 0.816 122.008 121.223 -0.051 0.000 2.296 370 L HA 0.696 5.032 4.340 -0.007 0.000 0.286 370 L C 1.164 178.022 176.870 -0.019 0.000 1.023 370 L CA 0.458 55.330 54.840 0.055 0.000 0.812 370 L CB 1.327 43.429 42.059 0.073 0.000 1.223 370 L HN 1.351 nan 8.230 nan 0.000 0.421 371 A N 4.829 127.638 122.820 -0.019 0.000 2.566 371 A HA 0.229 4.545 4.320 -0.007 0.000 0.245 371 A C 0.429 178.044 177.584 0.053 0.000 1.056 371 A CA 0.061 52.110 52.037 0.020 0.000 0.757 371 A CB -0.221 18.860 19.000 0.135 0.000 0.979 371 A HN 0.606 nan 8.150 nan 0.000 0.508 372 R N 1.055 121.586 120.500 0.052 0.000 2.541 372 R HA 0.649 4.985 4.340 -0.007 0.000 0.254 372 R C 0.360 176.686 176.300 0.042 0.000 1.130 372 R CA -0.404 55.727 56.100 0.052 0.000 1.152 372 R CB 0.767 31.116 30.300 0.081 0.000 1.222 372 R HN 0.974 nan 8.270 nan 0.000 0.579 373 R N -1.979 118.523 120.500 0.003 0.000 2.707 373 R HA 0.403 4.739 4.340 -0.007 0.000 0.272 373 R C -0.789 175.424 176.300 -0.145 0.000 1.011 373 R CA -0.957 55.107 56.100 -0.059 0.000 0.893 373 R CB 1.061 31.334 30.300 -0.044 0.000 1.233 373 R HN 0.343 nan 8.270 nan 0.000 0.464 374 V N 1.347 121.103 119.914 -0.262 0.000 2.555 374 V HA 0.241 4.357 4.120 -0.007 0.000 0.286 374 V C 0.743 176.697 176.094 -0.233 0.000 1.044 374 V CA -0.570 61.496 62.300 -0.390 0.000 1.026 374 V CB 1.248 32.724 31.823 -0.578 0.000 0.981 374 V HN 0.826 nan 8.190 nan 0.000 0.480 375 K N 2.815 123.099 120.400 -0.193 0.000 2.211 375 K HA 0.092 4.408 4.320 -0.007 0.000 0.203 375 K C 0.493 177.031 176.600 -0.103 0.000 1.050 375 K CA 1.182 57.401 56.287 -0.114 0.000 0.945 375 K CB -0.013 32.440 32.500 -0.078 0.000 0.732 375 K HN 0.790 nan 8.250 nan 0.000 0.451 376 K N 0.039 120.358 120.400 -0.136 0.000 2.499 376 K HA 0.189 4.505 4.320 -0.007 0.000 0.277 376 K C -1.275 175.232 176.600 -0.155 0.000 1.025 376 K CA -0.908 55.318 56.287 -0.103 0.000 0.900 376 K CB 1.215 33.678 32.500 -0.063 0.000 1.494 376 K HN -0.214 nan 8.250 nan 0.000 0.442 377 D N 1.925 122.263 120.400 -0.104 0.000 2.533 377 D HA 0.044 4.680 4.640 -0.007 0.000 0.236 377 D C -0.685 175.495 176.300 -0.199 0.000 1.137 377 D CA 0.964 54.864 54.000 -0.167 0.000 0.867 377 D CB 0.474 41.344 40.800 0.117 0.000 1.170 377 D HN 0.307 nan 8.370 nan 0.000 0.474 378 T N 3.023 117.334 114.554 -0.404 0.000 2.991 378 T HA 0.232 4.578 4.350 -0.007 0.000 0.303 378 T C -0.036 174.590 174.700 -0.123 0.000 1.015 378 T CA -0.996 60.974 62.100 -0.216 0.000 1.007 378 T CB 1.878 70.574 68.868 -0.286 0.000 1.034 378 T HN 0.020 nan 8.240 nan 0.000 0.446 379 K N 2.378 122.845 120.400 0.113 0.000 2.258 379 K HA 0.470 4.786 4.320 -0.007 0.000 0.284 379 K C -1.184 175.587 176.600 0.285 0.000 1.051 379 K CA -0.481 55.941 56.287 0.226 0.000 0.923 379 K CB 1.170 33.799 32.500 0.216 0.000 1.046 379 K HN 0.622 nan 8.250 nan 0.000 0.474 380 F N 4.147 124.195 119.950 0.164 0.000 2.612 380 F HA 0.186 4.710 4.527 -0.006 0.000 0.332 380 F C 0.216 176.118 175.800 0.170 0.000 1.167 380 F CA -0.993 57.130 58.000 0.204 0.000 0.970 380 F CB 0.732 39.927 39.000 0.326 0.000 1.234 380 F HN 0.657 nan 8.300 nan 0.000 0.453 381 R N 3.769 123.965 120.500 -0.506 0.000 3.266 381 R HA -0.272 4.064 4.340 -0.007 0.000 0.245 381 R C -0.423 175.589 176.300 -0.478 0.000 0.941 381 R CA 1.348 57.150 56.100 -0.497 0.000 0.638 381 R CB -2.251 27.650 30.300 -0.665 0.000 1.019 381 R HN 0.785 nan 8.270 nan 0.000 0.462 382 D N -2.906 117.307 120.400 -0.311 0.000 2.748 382 D HA -0.177 4.459 4.640 -0.007 0.000 0.189 382 D C -0.262 175.838 176.300 -0.334 0.000 0.982 382 D CA 1.975 55.773 54.000 -0.335 0.000 1.017 382 D CB -1.120 39.424 40.800 -0.426 0.000 1.076 382 D HN 0.476 nan 8.370 nan 0.000 0.446 383 F N -0.154 119.860 119.950 0.108 0.000 2.380 383 F HA 0.547 5.070 4.527 -0.006 0.000 0.321 383 F C 0.584 176.536 175.800 0.254 0.000 1.103 383 F CA -1.009 57.101 58.000 0.182 0.000 1.067 383 F CB 0.724 39.846 39.000 0.203 0.000 1.265 383 F HN -0.213 nan 8.300 nan 0.000 0.517 384 F N 2.100 122.228 119.950 0.297 0.000 2.495 384 F HA 0.663 5.186 4.527 -0.007 0.000 0.327 384 F C -1.563 174.325 175.800 0.146 0.000 1.103 384 F CA -1.043 57.065 58.000 0.180 0.000 0.949 384 F CB 1.165 40.235 39.000 0.116 0.000 1.142 384 F HN 0.161 nan 8.300 nan 0.000 0.457 385 L N 8.010 128.818 121.223 -0.692 0.000 2.388 385 L HA 0.481 4.817 4.340 -0.007 0.000 0.267 385 L C -2.346 174.032 176.870 -0.819 0.000 0.995 385 L CA -1.918 52.594 54.840 -0.546 0.000 0.864 385 L CB 1.328 43.194 42.059 -0.322 0.000 1.216 385 L HN 0.432 nan 8.230 nan 0.000 0.430 386 P HA -0.021 nan 4.420 nan 0.000 0.267 386 P C -0.323 176.845 177.300 -0.219 0.000 1.200 386 P CA -0.346 62.589 63.100 -0.274 0.000 0.772 386 P CB 0.487 32.190 31.700 0.005 0.000 0.855 387 K N 2.042 122.353 120.400 -0.148 0.000 2.569 387 K HA -0.026 4.290 4.320 -0.007 0.000 0.280 387 K C 1.253 177.795 176.600 -0.097 0.000 0.984 387 K CA 1.433 57.649 56.287 -0.119 0.000 1.064 387 K CB -0.748 31.716 32.500 -0.061 0.000 0.866 387 K HN 0.816 nan 8.250 nan 0.000 0.492 388 G N 2.572 111.308 108.800 -0.106 0.000 2.205 388 G HA2 -0.264 3.692 3.960 -0.007 0.000 0.261 388 G HA3 -0.264 3.692 3.960 -0.007 0.000 0.261 388 G C 0.182 175.028 174.900 -0.089 0.000 0.980 388 G CA 0.572 45.624 45.100 -0.080 0.000 0.632 388 G HN 0.686 nan 8.290 nan 0.000 0.533 389 T N 2.367 116.846 114.554 -0.125 0.000 2.792 389 T HA 0.334 4.680 4.350 -0.007 0.000 0.286 389 T C 0.693 175.321 174.700 -0.121 0.000 0.970 389 T CA 0.411 62.431 62.100 -0.133 0.000 1.187 389 T CB 0.724 69.490 68.868 -0.170 0.000 0.915 389 T HN 0.473 nan 8.240 nan 0.000 0.529 390 E N 1.661 121.808 120.200 -0.089 0.000 2.422 390 E HA 0.275 4.621 4.350 -0.007 0.000 0.260 390 E C -0.516 176.061 176.600 -0.039 0.000 1.108 390 E CA -0.151 56.224 56.400 -0.041 0.000 0.943 390 E CB 0.673 30.362 29.700 -0.018 0.000 0.961 390 E HN 0.269 nan 8.360 nan 0.000 0.443 391 V N 2.686 122.630 119.914 0.051 0.000 2.655 391 V HA 0.127 4.243 4.120 -0.007 0.000 0.301 391 V C -1.410 174.800 176.094 0.193 0.000 1.082 391 V CA -0.660 61.683 62.300 0.070 0.000 0.899 391 V CB 1.200 33.090 31.823 0.112 0.000 1.014 391 V HN 0.607 nan 8.190 nan 0.000 0.429 392 Y N 5.908 126.138 120.300 -0.116 0.000 2.594 392 Y HA 0.368 4.914 4.550 -0.007 0.000 0.342 392 Y C -2.115 173.719 175.900 -0.111 0.000 1.010 392 Y CA -2.482 55.560 58.100 -0.097 0.000 1.270 392 Y CB 1.940 40.328 38.460 -0.119 0.000 1.125 392 Y HN 0.451 nan 8.280 nan 0.000 0.513 393 P HA 0.099 nan 4.420 nan 0.000 0.284 393 P C -0.445 176.823 177.300 -0.053 0.000 1.343 393 P CA -0.271 62.788 63.100 -0.069 0.000 0.826 393 P CB 0.665 32.309 31.700 -0.093 0.000 0.956 394 M N 4.460 124.051 119.600 -0.016 0.000 3.237 394 M HA 0.098 4.574 4.480 -0.007 0.000 0.266 394 M C 1.249 177.584 176.300 0.058 0.000 1.456 394 M CA -0.009 55.319 55.300 0.047 0.000 1.593 394 M CB -0.739 31.895 32.600 0.058 0.000 1.129 394 M HN 0.324 nan 8.290 nan 0.000 0.547 395 L N 0.666 121.886 121.223 -0.005 0.000 2.051 395 L HA -0.211 4.125 4.340 -0.007 0.000 0.214 395 L C 2.408 179.265 176.870 -0.022 0.000 1.076 395 L CA 1.676 56.488 54.840 -0.048 0.000 0.758 395 L CB -1.269 40.717 42.059 -0.122 0.000 0.890 395 L HN 0.691 nan 8.230 nan 0.000 0.433 396 G N 0.365 109.177 108.800 0.019 0.000 2.513 396 G HA2 -0.352 3.604 3.960 -0.007 0.000 0.219 396 G HA3 -0.352 3.604 3.960 -0.007 0.000 0.219 396 G C 1.747 176.718 174.900 0.118 0.000 1.160 396 G CA 1.296 46.373 45.100 -0.038 0.000 0.767 396 G HN 0.548 nan 8.290 nan 0.000 0.571 397 S N -0.233 115.638 115.700 0.286 0.000 2.515 397 S HA 0.067 4.533 4.470 -0.007 0.000 0.231 397 S C 2.077 176.753 174.600 0.126 0.000 0.987 397 S CA 1.121 59.452 58.200 0.219 0.000 0.936 397 S CB 0.159 63.457 63.200 0.164 0.000 0.766 397 S HN 0.132 nan 8.310 nan 0.000 0.528 398 V N 1.453 121.415 119.914 0.080 0.000 2.599 398 V HA 0.145 4.261 4.120 -0.007 0.000 0.245 398 V C 2.289 178.447 176.094 0.107 0.000 1.046 398 V CA 0.916 63.246 62.300 0.050 0.000 1.065 398 V CB -0.684 31.139 31.823 -0.000 0.000 0.703 398 V HN 0.440 nan 8.190 nan 0.000 0.464 399 L N -0.284 120.982 121.223 0.071 0.000 2.362 399 L HA -0.011 4.325 4.340 -0.007 0.000 0.219 399 L C 2.088 178.991 176.870 0.055 0.000 1.134 399 L CA 1.316 56.193 54.840 0.062 0.000 0.807 399 L CB -0.297 41.706 42.059 -0.093 0.000 0.927 399 L HN 0.238 nan 8.230 nan 0.000 0.447 400 R N -1.110 119.452 120.500 0.104 0.000 2.596 400 R HA 0.097 4.433 4.340 -0.007 0.000 0.369 400 R C -0.133 176.285 176.300 0.197 0.000 1.042 400 R CA -0.276 55.890 56.100 0.110 0.000 1.120 400 R CB 0.328 30.651 30.300 0.039 0.000 1.353 400 R HN 0.041 nan 8.270 nan 0.000 0.564 401 D N 2.668 123.213 120.400 0.242 0.000 2.412 401 D HA 0.001 4.637 4.640 -0.007 0.000 0.257 401 D C -1.312 175.128 176.300 0.232 0.000 1.217 401 D CA -1.669 52.460 54.000 0.216 0.000 0.897 401 D CB 1.409 42.318 40.800 0.181 0.000 1.132 401 D HN 0.024 nan 8.370 nan 0.000 0.493 402 P HA -0.094 nan 4.420 nan 0.000 0.222 402 P C 1.108 178.439 177.300 0.051 0.000 1.147 402 P CA 0.525 63.691 63.100 0.110 0.000 0.790 402 P CB 0.259 32.010 31.700 0.085 0.000 0.780 403 S N -1.273 114.471 115.700 0.073 0.000 2.469 403 S HA -0.051 4.415 4.470 -0.007 0.000 0.238 403 S C 1.173 175.559 174.600 -0.356 0.000 0.998 403 S CA 1.106 59.258 58.200 -0.080 0.000 0.957 403 S CB -0.723 62.483 63.200 0.010 0.000 0.764 403 S HN 0.176 nan 8.310 nan 0.000 0.514 404 F N -1.154 118.614 119.950 -0.303 0.000 2.778 404 F HA 0.436 4.960 4.527 -0.007 0.000 0.314 404 F C -0.162 175.052 175.800 -0.977 0.000 1.073 404 F CA -0.485 57.123 58.000 -0.653 0.000 1.218 404 F CB 0.724 39.240 39.000 -0.807 0.000 1.037 404 F HN -0.008 nan 8.300 nan 0.000 0.594 405 F N -0.370 119.556 119.950 -0.041 0.000 2.562 405 F HA 0.233 4.756 4.527 -0.006 0.000 0.319 405 F C 1.177 176.948 175.800 -0.048 0.000 1.154 405 F CA -0.861 57.021 58.000 -0.197 0.000 0.931 405 F CB 1.545 40.227 39.000 -0.530 0.000 1.198 405 F HN -0.203 nan 8.300 nan 0.000 0.444 406 S N 0.806 116.638 115.700 0.220 0.000 2.402 406 S HA -0.064 4.402 4.470 -0.007 0.000 0.229 406 S C 0.516 175.236 174.600 0.200 0.000 1.021 406 S CA 0.879 59.176 58.200 0.162 0.000 0.974 406 S CB -0.121 63.143 63.200 0.106 0.000 0.800 406 S HN 0.626 nan 8.310 nan 0.000 0.484 407 N N 1.969 120.887 118.700 0.364 0.000 2.813 407 N HA 0.272 5.008 4.740 -0.007 0.000 0.282 407 N C -2.461 173.227 175.510 0.298 0.000 1.748 407 N CA -1.241 51.972 53.050 0.272 0.000 0.860 407 N CB 1.661 40.257 38.487 0.182 0.000 1.204 407 N HN 0.296 nan 8.380 nan 0.000 0.490 408 P HA -0.103 nan 4.420 nan 0.000 0.225 408 P C 0.986 178.322 177.300 0.061 0.000 1.148 408 P CA 1.115 64.254 63.100 0.064 0.000 0.779 408 P CB 0.675 32.425 31.700 0.084 0.000 0.780 409 Q N -0.231 119.634 119.800 0.109 0.000 2.269 409 Q HA 0.026 4.362 4.340 -0.007 0.000 0.201 409 Q C 0.330 176.477 176.000 0.245 0.000 0.946 409 Q CA 0.838 56.701 55.803 0.101 0.000 0.877 409 Q CB -0.315 28.479 28.738 0.094 0.000 0.963 409 Q HN 0.402 nan 8.270 nan 0.000 0.472 410 D N 0.280 120.848 120.400 0.280 0.000 2.304 410 D HA 0.082 4.718 4.640 -0.007 0.000 0.247 410 D C -0.551 175.983 176.300 0.391 0.000 1.089 410 D CA -0.369 53.825 54.000 0.323 0.000 0.910 410 D CB 0.630 41.538 40.800 0.180 0.000 1.199 410 D HN -0.067 nan 8.370 nan 0.000 0.426 411 F N 2.410 122.430 119.950 0.116 0.000 2.438 411 F HA 0.203 4.726 4.527 -0.006 0.000 0.360 411 F C 0.010 175.647 175.800 -0.272 0.000 1.118 411 F CA -0.174 57.723 58.000 -0.172 0.000 1.164 411 F CB 0.151 38.760 39.000 -0.651 0.000 1.131 411 F HN 0.034 nan 8.300 nan 0.000 0.527 412 N N 8.238 126.540 118.700 -0.664 0.000 2.664 412 N HA 0.264 5.000 4.740 -0.007 0.000 0.268 412 N C -2.370 172.823 175.510 -0.529 0.000 1.222 412 N CA -1.734 50.976 53.050 -0.567 0.000 0.805 412 N CB 1.788 39.913 38.487 -0.603 0.000 1.399 412 N HN 0.160 nan 8.380 nan 0.000 0.547 413 P HA -0.150 nan 4.420 nan 0.000 0.218 413 P C 1.016 178.239 177.300 -0.129 0.000 1.146 413 P CA 1.195 64.109 63.100 -0.310 0.000 0.820 413 P CB 0.434 31.890 31.700 -0.407 0.000 0.778 414 Q N -1.658 118.055 119.800 -0.144 0.000 2.439 414 Q HA -0.179 4.157 4.340 -0.007 0.000 0.211 414 Q C 1.717 177.651 176.000 -0.111 0.000 0.978 414 Q CA 1.180 56.925 55.803 -0.096 0.000 0.897 414 Q CB -1.123 27.555 28.738 -0.100 0.000 0.956 414 Q HN 0.601 nan 8.270 nan 0.000 0.483 415 H N -1.438 117.552 119.070 -0.134 0.000 2.489 415 H HA -0.088 4.464 4.556 -0.007 0.000 0.293 415 H C 0.365 175.375 175.328 -0.529 0.000 1.066 415 H CA 0.673 56.576 56.048 -0.242 0.000 1.305 415 H CB 0.156 29.745 29.762 -0.288 0.000 1.386 415 H HN 0.157 nan 8.280 nan 0.000 0.551 416 F N -0.139 119.781 119.950 -0.049 0.000 2.764 416 F HA 0.212 4.735 4.527 -0.007 0.000 0.310 416 F C -0.583 174.991 175.800 -0.378 0.000 1.124 416 F CA -0.271 57.545 58.000 -0.306 0.000 1.252 416 F CB 0.935 39.695 39.000 -0.400 0.000 1.010 416 F HN -0.062 nan 8.300 nan 0.000 0.518 417 L N 0.262 121.427 121.223 -0.097 0.000 2.362 417 L HA 0.345 4.681 4.340 -0.007 0.000 0.271 417 L C 0.245 177.073 176.870 -0.070 0.000 1.002 417 L CA -0.892 53.914 54.840 -0.056 0.000 0.818 417 L CB 1.317 43.397 42.059 0.035 0.000 1.298 417 L HN 0.091 nan 8.230 nan 0.000 0.420 418 N N 0.402 119.069 118.700 -0.055 0.000 2.231 418 N HA -0.074 4.662 4.740 -0.007 0.000 0.223 418 N C 0.472 175.969 175.510 -0.021 0.000 1.329 418 N CA -0.070 52.956 53.050 -0.040 0.000 0.889 418 N CB 1.057 39.532 38.487 -0.020 0.000 1.125 418 N HN 0.575 nan 8.380 nan 0.000 0.447 419 E N 0.834 121.021 120.200 -0.021 0.000 2.107 419 E HA -0.128 4.218 4.350 -0.007 0.000 0.191 419 E C 0.572 177.171 176.600 -0.001 0.000 0.982 419 E CA 1.392 57.784 56.400 -0.012 0.000 0.809 419 E CB -0.088 29.602 29.700 -0.017 0.000 0.756 419 E HN 0.428 nan 8.360 nan 0.000 0.459 420 K N 0.291 120.690 120.400 -0.000 0.000 2.569 420 K HA 0.134 4.450 4.320 -0.007 0.000 0.193 420 K C 0.668 177.280 176.600 0.021 0.000 1.026 420 K CA 0.445 56.736 56.287 0.007 0.000 1.093 420 K CB -0.199 32.304 32.500 0.004 0.000 0.849 420 K HN 0.366 nan 8.250 nan 0.000 0.509 421 G N 1.475 110.294 108.800 0.031 0.000 2.148 421 G HA2 -0.316 3.640 3.960 -0.007 0.000 0.254 421 G HA3 -0.316 3.640 3.960 -0.007 0.000 0.254 421 G C -0.183 174.766 174.900 0.082 0.000 0.981 421 G CA 0.060 45.198 45.100 0.064 0.000 0.670 421 G HN 0.397 nan 8.290 nan 0.000 0.528 422 Q N -1.140 118.695 119.800 0.057 0.000 2.260 422 Q HA 0.567 4.903 4.340 -0.007 0.000 0.242 422 Q C 0.085 176.137 176.000 0.087 0.000 0.932 422 Q CA -0.951 54.897 55.803 0.074 0.000 0.891 422 Q CB 1.073 29.838 28.738 0.045 0.000 1.222 422 Q HN 0.327 nan 8.270 nan 0.000 0.453 423 F N 2.258 122.196 119.950 -0.020 0.000 2.541 423 F HA 0.072 4.595 4.527 -0.007 0.000 0.378 423 F C -0.054 175.725 175.800 -0.036 0.000 1.068 423 F CA 0.356 58.327 58.000 -0.047 0.000 1.199 423 F CB 0.328 39.261 39.000 -0.112 0.000 1.091 423 F HN 0.205 nan 8.300 nan 0.000 0.555 424 K N 7.432 127.381 120.400 -0.752 0.000 2.367 424 K HA 0.268 4.584 4.320 -0.007 0.000 0.263 424 K C -0.493 175.703 176.600 -0.674 0.000 1.000 424 K CA -0.727 55.247 56.287 -0.523 0.000 0.891 424 K CB 0.766 33.090 32.500 -0.292 0.000 1.117 424 K HN 0.641 nan 8.250 nan 0.000 0.443 425 K N 1.305 121.483 120.400 -0.369 0.000 2.319 425 K HA 0.063 4.379 4.320 -0.007 0.000 0.265 425 K C -0.141 176.469 176.600 0.017 0.000 1.000 425 K CA 0.045 56.286 56.287 -0.076 0.000 0.943 425 K CB 1.150 33.715 32.500 0.108 0.000 0.950 425 K HN 0.385 nan 8.250 nan 0.000 0.485 426 S N 0.352 116.183 115.700 0.218 0.000 2.536 426 S HA 0.160 4.626 4.470 -0.007 0.000 0.287 426 S C -0.159 174.605 174.600 0.273 0.000 1.101 426 S CA -0.817 57.496 58.200 0.189 0.000 0.950 426 S CB 1.292 64.561 63.200 0.114 0.000 1.056 426 S HN 0.522 nan 8.310 nan 0.000 0.481 427 D N 2.787 123.283 120.400 0.160 0.000 2.269 427 D HA 0.107 4.743 4.640 -0.007 0.000 0.208 427 D C 1.643 177.965 176.300 0.037 0.000 0.963 427 D CA 1.030 55.111 54.000 0.135 0.000 0.864 427 D CB -0.041 40.838 40.800 0.133 0.000 0.936 427 D HN 0.584 nan 8.370 nan 0.000 0.505 428 A N -0.024 122.681 122.820 -0.192 0.000 2.238 428 A HA 0.005 4.321 4.320 -0.007 0.000 0.208 428 A C 0.603 178.373 177.584 0.310 0.000 1.177 428 A CA -0.376 51.585 52.037 -0.128 0.000 0.804 428 A CB -0.677 18.033 19.000 -0.483 0.000 0.823 428 A HN 0.120 nan 8.150 nan 0.000 0.482 429 F N 1.608 121.755 119.950 0.329 0.000 2.541 429 F HA 0.352 4.875 4.527 -0.007 0.000 0.347 429 F C 0.692 176.628 175.800 0.226 0.000 1.242 429 F CA -0.234 57.991 58.000 0.375 0.000 1.123 429 F CB 0.812 40.140 39.000 0.547 0.000 1.354 429 F HN 0.043 nan 8.300 nan 0.000 0.621 430 V N 5.100 124.872 119.914 -0.237 0.000 2.771 430 V HA 0.333 4.449 4.120 -0.007 0.000 0.355 430 V C -1.987 173.896 176.094 -0.352 0.000 1.289 430 V CA -0.831 61.346 62.300 -0.205 0.000 1.231 430 V CB 0.131 31.918 31.823 -0.060 0.000 1.396 430 V HN 0.426 nan 8.190 nan 0.000 0.628 431 P HA -0.053 nan 4.420 nan 0.000 0.220 431 P C 0.925 177.854 177.300 -0.619 0.000 1.148 431 P CA 1.372 64.054 63.100 -0.697 0.000 0.803 431 P CB 0.027 31.118 31.700 -1.015 0.000 0.782 432 F N -0.629 119.194 119.950 -0.212 0.000 2.660 432 F HA 0.288 4.811 4.527 -0.007 0.000 0.302 432 F C 1.512 177.253 175.800 -0.097 0.000 1.103 432 F CA 0.014 57.942 58.000 -0.120 0.000 1.340 432 F CB -0.583 38.377 39.000 -0.067 0.000 1.048 432 F HN -0.102 nan 8.300 nan 0.000 0.551 433 S N 0.600 116.294 115.700 -0.010 0.000 3.381 433 S HA -0.213 4.253 4.470 -0.007 0.000 0.636 433 S C -0.451 174.168 174.600 0.031 0.000 2.614 433 S CA 0.672 58.861 58.200 -0.018 0.000 2.810 433 S CB -0.818 62.365 63.200 -0.028 0.000 0.331 433 S HN 0.499 nan 8.310 nan 0.000 1.788 434 I N -2.041 118.535 120.570 0.010 0.000 3.004 434 I HA 0.771 4.937 4.170 -0.007 0.000 0.305 434 I C 0.311 176.434 176.117 0.010 0.000 1.312 434 I CA -0.230 61.084 61.300 0.023 0.000 0.992 434 I CB 1.431 39.437 38.000 0.010 0.000 1.282 434 I HN 2.002 nan 8.210 nan 0.000 0.449 435 G N 3.104 111.919 108.800 0.025 0.000 2.610 435 G HA2 -0.135 3.821 3.960 -0.007 0.000 0.304 435 G HA3 -0.135 3.821 3.960 -0.007 0.000 0.304 435 G C -0.009 174.916 174.900 0.041 0.000 1.309 435 G CA -0.075 45.040 45.100 0.026 0.000 0.906 435 G HN 0.819 nan 8.290 nan 0.000 0.521 436 K N -0.084 120.343 120.400 0.045 0.000 2.288 436 K HA 0.020 4.336 4.320 -0.007 0.000 0.201 436 K C 1.818 178.454 176.600 0.059 0.000 1.048 436 K CA 0.848 57.165 56.287 0.050 0.000 0.956 436 K CB 0.038 32.566 32.500 0.046 0.000 0.746 436 K HN 0.298 nan 8.250 nan 0.000 0.461 437 R N 2.050 122.581 120.500 0.051 0.000 2.507 437 R HA 0.067 4.403 4.340 -0.007 0.000 0.298 437 R C 0.262 176.588 176.300 0.043 0.000 0.999 437 R CA -0.292 55.838 56.100 0.050 0.000 1.082 437 R CB -0.565 29.748 30.300 0.022 0.000 1.246 437 R HN 0.359 nan 8.270 nan 0.000 0.553 438 N N 0.406 119.140 118.700 0.056 0.000 2.307 438 N HA -0.128 4.608 4.740 -0.007 0.000 0.230 438 N C 0.065 175.610 175.510 0.060 0.000 1.297 438 N CA -0.064 53.019 53.050 0.055 0.000 0.884 438 N CB 0.504 39.032 38.487 0.067 0.000 1.115 438 N HN -0.002 nan 8.380 nan 0.000 0.436 439 C N 3.095 122.423 119.300 0.046 0.000 2.657 439 C HA 0.224 4.680 4.460 -0.007 0.000 0.404 439 C C 1.550 176.533 174.990 -0.012 0.000 1.369 439 C CA -0.842 58.164 59.018 -0.020 0.000 1.665 439 C CB -2.390 25.418 27.740 0.113 0.000 2.453 439 C HN 0.657 nan 8.230 nan 0.000 0.599 440 F N 3.449 123.394 119.950 -0.008 0.000 2.797 440 F HA 0.331 4.855 4.527 -0.006 0.000 0.302 440 F C 1.513 177.292 175.800 -0.034 0.000 1.130 440 F CA 0.066 58.053 58.000 -0.022 0.000 1.387 440 F CB -0.800 38.201 39.000 0.001 0.000 1.107 440 F HN 0.543 nan 8.300 nan 0.000 0.577 441 G N 0.399 109.120 108.800 -0.131 0.000 2.985 441 G HA2 -0.086 3.870 3.960 -0.007 0.000 0.209 441 G HA3 -0.086 3.870 3.960 -0.007 0.000 0.209 441 G C 1.390 176.213 174.900 -0.128 0.000 1.165 441 G CA 0.367 45.424 45.100 -0.072 0.000 0.776 441 G HN 0.526 nan 8.290 nan 0.000 0.541 442 E N 0.624 120.662 120.200 -0.269 0.000 2.070 442 E HA -0.109 4.237 4.350 -0.007 0.000 0.197 442 E C 2.538 178.847 176.600 -0.485 0.000 1.004 442 E CA 1.335 57.287 56.400 -0.747 0.000 0.805 442 E CB -0.495 28.699 29.700 -0.843 0.000 0.744 442 E HN 0.270 nan 8.360 nan 0.000 0.451 443 G N 1.396 110.055 108.800 -0.235 0.000 2.446 443 G HA2 -0.283 3.673 3.960 -0.007 0.000 0.217 443 G HA3 -0.283 3.673 3.960 -0.007 0.000 0.217 443 G C 1.515 176.319 174.900 -0.161 0.000 1.168 443 G CA 0.924 45.939 45.100 -0.141 0.000 0.771 443 G HN 0.319 nan 8.290 nan 0.000 0.551 444 L N 1.539 122.695 121.223 -0.113 0.000 2.012 444 L HA 0.016 4.352 4.340 -0.007 0.000 0.210 444 L C 3.124 179.945 176.870 -0.082 0.000 1.073 444 L CA 2.316 57.099 54.840 -0.094 0.000 0.748 444 L CB -0.914 41.132 42.059 -0.021 0.000 0.891 444 L HN 0.267 nan 8.230 nan 0.000 0.431 445 A N -0.509 122.288 122.820 -0.038 0.000 1.865 445 A HA -0.229 4.087 4.320 -0.007 0.000 0.217 445 A C 2.355 179.995 177.584 0.094 0.000 1.191 445 A CA 1.836 53.919 52.037 0.075 0.000 0.623 445 A CB -0.579 18.559 19.000 0.231 0.000 0.826 445 A HN 0.471 nan 8.150 nan 0.000 0.444 446 R N -1.183 119.339 120.500 0.037 0.000 2.083 446 R HA -0.145 4.191 4.340 -0.007 0.000 0.237 446 R C 2.289 178.684 176.300 0.157 0.000 1.137 446 R CA 1.668 57.858 56.100 0.149 0.000 0.951 446 R CB -0.763 29.624 30.300 0.146 0.000 0.851 446 R HN 0.702 nan 8.270 nan 0.000 0.434 447 M N 0.870 120.353 119.600 -0.195 0.000 2.086 447 M HA -0.175 4.301 4.480 -0.007 0.000 0.261 447 M C 1.879 178.057 176.300 -0.203 0.000 1.067 447 M CA 1.729 56.724 55.300 -0.508 0.000 1.116 447 M CB -0.086 31.939 32.600 -0.958 0.000 1.348 447 M HN 0.121 nan 8.290 nan 0.000 0.407 448 E N 0.213 120.297 120.200 -0.194 0.000 2.058 448 E HA -0.238 4.108 4.350 -0.007 0.000 0.194 448 E C 1.971 178.494 176.600 -0.128 0.000 0.997 448 E CA 1.673 57.904 56.400 -0.282 0.000 0.801 448 E CB -0.274 29.438 29.700 0.020 0.000 0.746 448 E HN 0.523 nan 8.360 nan 0.000 0.450 449 L N -0.053 121.228 121.223 0.096 0.000 2.012 449 L HA -0.198 4.138 4.340 -0.007 0.000 0.210 449 L C 2.422 179.476 176.870 0.307 0.000 1.073 449 L CA 1.204 56.158 54.840 0.191 0.000 0.748 449 L CB -0.476 41.762 42.059 0.298 0.000 0.891 449 L HN 0.161 nan 8.230 nan 0.000 0.431 450 F N 0.648 120.723 119.950 0.208 0.000 2.046 450 F HA -0.278 4.246 4.527 -0.006 0.000 0.297 450 F C 2.290 178.199 175.800 0.182 0.000 1.123 450 F CA 1.714 59.859 58.000 0.242 0.000 1.199 450 F CB -0.069 39.121 39.000 0.317 0.000 0.972 450 F HN -0.124 nan 8.300 nan 0.000 0.474 451 L N -1.181 120.037 121.223 -0.009 0.000 2.093 451 L HA -0.197 4.139 4.340 -0.007 0.000 0.208 451 L C 2.326 179.141 176.870 -0.092 0.000 1.085 451 L CA 0.777 55.520 54.840 -0.161 0.000 0.755 451 L CB -0.778 41.157 42.059 -0.208 0.000 0.904 451 L HN 0.123 nan 8.230 nan 0.000 0.435 452 F N -0.514 119.456 119.950 0.033 0.000 2.128 452 F HA -0.100 4.424 4.527 -0.006 0.000 0.295 452 F C 2.313 178.184 175.800 0.119 0.000 1.100 452 F CA 0.962 58.983 58.000 0.035 0.000 1.260 452 F CB -1.100 37.866 39.000 -0.057 0.000 1.009 452 F HN -0.121 nan 8.300 nan 0.000 0.476 453 F N 0.575 120.691 119.950 0.276 0.000 2.095 453 F HA -0.274 4.249 4.527 -0.007 0.000 0.298 453 F C 2.769 178.665 175.800 0.160 0.000 1.104 453 F CA 1.734 59.865 58.000 0.218 0.000 1.232 453 F CB -0.778 38.271 39.000 0.082 0.000 0.987 453 F HN 0.043 nan 8.300 nan 0.000 0.475 454 T N -3.242 111.396 114.554 0.140 0.000 2.737 454 T HA -0.157 4.189 4.350 -0.007 0.000 0.265 454 T C 1.820 176.566 174.700 0.076 0.000 1.038 454 T CA 1.766 63.846 62.100 -0.034 0.000 1.144 454 T CB -1.040 67.550 68.868 -0.463 0.000 0.866 454 T HN 0.143 nan 8.240 nan 0.000 0.434 455 T N 1.932 116.541 114.554 0.092 0.000 2.684 455 T HA -0.068 4.278 4.350 -0.007 0.000 0.267 455 T C 2.124 176.944 174.700 0.199 0.000 1.036 455 T CA 1.408 63.586 62.100 0.130 0.000 1.148 455 T CB -0.738 68.217 68.868 0.146 0.000 0.863 455 T HN 0.246 nan 8.240 nan 0.000 0.436 456 V N 1.503 121.616 119.914 0.332 0.000 2.295 456 V HA -0.155 3.961 4.120 -0.007 0.000 0.246 456 V C 2.564 178.912 176.094 0.423 0.000 1.049 456 V CA 1.382 63.947 62.300 0.442 0.000 1.024 456 V CB -0.522 31.625 31.823 0.539 0.000 0.648 456 V HN 0.418 nan 8.190 nan 0.000 0.447 457 M N -0.603 119.233 119.600 0.395 0.000 2.229 457 M HA -0.155 4.321 4.480 -0.007 0.000 0.264 457 M C 2.163 178.665 176.300 0.336 0.000 1.063 457 M CA 1.389 56.904 55.300 0.358 0.000 1.114 457 M CB -1.359 31.397 32.600 0.259 0.000 1.387 457 M HN 0.466 nan 8.290 nan 0.000 0.420 458 Q N 0.359 120.281 119.800 0.203 0.000 2.135 458 Q HA -0.175 4.161 4.340 -0.007 0.000 0.204 458 Q C 1.555 177.564 176.000 0.016 0.000 0.981 458 Q CA 1.361 57.231 55.803 0.112 0.000 0.856 458 Q CB 0.109 28.878 28.738 0.052 0.000 0.902 458 Q HN 0.580 nan 8.270 nan 0.000 0.425 459 N N -1.422 117.231 118.700 -0.079 0.000 2.432 459 N HA 0.058 4.794 4.740 -0.007 0.000 0.174 459 N C -0.501 174.727 175.510 -0.470 0.000 1.037 459 N CA 0.351 53.157 53.050 -0.406 0.000 0.892 459 N CB 0.536 38.547 38.487 -0.793 0.000 1.049 459 N HN 0.011 nan 8.380 nan 0.000 0.442 460 F N 1.015 121.065 119.950 0.167 0.000 2.563 460 F HA 0.429 4.953 4.527 -0.006 0.000 0.316 460 F C 0.423 176.354 175.800 0.218 0.000 1.076 460 F CA -1.115 56.987 58.000 0.170 0.000 0.921 460 F CB 1.406 40.552 39.000 0.243 0.000 1.209 460 F HN -0.192 nan 8.300 nan 0.000 0.462 461 R N 1.604 122.316 120.500 0.354 0.000 2.828 461 R HA 0.907 5.243 4.340 -0.007 0.000 0.264 461 R C -1.907 174.465 176.300 0.119 0.000 1.022 461 R CA -0.936 55.338 56.100 0.291 0.000 1.021 461 R CB 1.473 31.910 30.300 0.228 0.000 1.163 461 R HN 0.664 nan 8.270 nan 0.000 0.494 462 L N 1.547 122.791 121.223 0.035 0.000 2.319 462 L HA 0.487 4.823 4.340 -0.007 0.000 0.281 462 L C -0.559 176.249 176.870 -0.104 0.000 1.005 462 L CA -1.050 53.702 54.840 -0.147 0.000 0.828 462 L CB 1.574 43.516 42.059 -0.195 0.000 1.227 462 L HN 0.563 nan 8.230 nan 0.000 0.415 463 K N 2.702 123.020 120.400 -0.136 0.000 2.293 463 K HA 0.406 4.722 4.320 -0.007 0.000 0.267 463 K C -0.199 176.342 176.600 -0.100 0.000 1.010 463 K CA -0.316 55.919 56.287 -0.086 0.000 0.875 463 K CB 1.105 33.572 32.500 -0.056 0.000 1.106 463 K HN 0.623 nan 8.250 nan 0.000 0.450 464 S N 2.008 117.665 115.700 -0.072 0.000 2.603 464 S HA 0.146 4.612 4.470 -0.007 0.000 0.268 464 S C 0.811 175.389 174.600 -0.037 0.000 1.317 464 S CA -0.576 57.591 58.200 -0.055 0.000 1.012 464 S CB 1.475 64.639 63.200 -0.060 0.000 0.926 464 S HN 0.549 nan 8.310 nan 0.000 0.539 465 S N 1.390 117.079 115.700 -0.019 0.000 2.368 465 S HA -0.097 4.369 4.470 -0.007 0.000 0.225 465 S C 1.020 175.610 174.600 -0.017 0.000 1.030 465 S CA 1.026 59.218 58.200 -0.013 0.000 0.999 465 S CB -0.419 62.782 63.200 0.001 0.000 0.844 465 S HN 0.870 nan 8.310 nan 0.000 0.459 466 Q N 0.147 119.933 119.800 -0.023 0.000 2.252 466 Q HA 0.618 4.954 4.340 -0.007 0.000 0.256 466 Q C -0.776 175.203 176.000 -0.036 0.000 1.020 466 Q CA -0.648 55.138 55.803 -0.027 0.000 0.913 466 Q CB 0.957 29.678 28.738 -0.029 0.000 1.286 466 Q HN -0.049 nan 8.270 nan 0.000 0.480 467 S N 0.933 116.612 115.700 -0.036 0.000 2.565 467 S HA 0.161 4.627 4.470 -0.007 0.000 0.274 467 S C -1.728 172.836 174.600 -0.059 0.000 1.309 467 S CA -1.471 56.705 58.200 -0.040 0.000 1.043 467 S CB 0.588 63.770 63.200 -0.030 0.000 0.939 467 S HN 0.437 nan 8.310 nan 0.000 0.504 468 P HA -0.270 nan 4.420 nan 0.000 0.223 468 P C 1.135 178.361 177.300 -0.123 0.000 1.153 468 P CA 1.587 64.618 63.100 -0.116 0.000 0.853 468 P CB -0.018 31.613 31.700 -0.115 0.000 0.777 469 K N -0.878 119.472 120.400 -0.083 0.000 2.057 469 K HA -0.116 4.200 4.320 -0.007 0.000 0.206 469 K C 1.374 177.939 176.600 -0.059 0.000 1.050 469 K CA 1.645 57.891 56.287 -0.067 0.000 0.935 469 K CB -0.700 31.775 32.500 -0.042 0.000 0.715 469 K HN 0.098 nan 8.250 nan 0.000 0.439 470 D N 1.143 121.512 120.400 -0.052 0.000 2.355 470 D HA 0.069 4.705 4.640 -0.007 0.000 0.218 470 D C 0.450 176.721 176.300 -0.048 0.000 1.004 470 D CA 0.338 54.315 54.000 -0.040 0.000 0.880 470 D CB 0.118 40.901 40.800 -0.030 0.000 0.911 470 D HN 0.284 nan 8.370 nan 0.000 0.528 471 I N 2.103 122.629 120.570 -0.074 0.000 2.494 471 I HA -0.050 4.116 4.170 -0.007 0.000 0.289 471 I C 0.419 176.489 176.117 -0.079 0.000 1.106 471 I CA -0.051 61.193 61.300 -0.094 0.000 1.369 471 I CB 0.292 38.206 38.000 -0.144 0.000 1.410 471 I HN -0.293 nan 8.210 nan 0.000 0.523 472 D N 6.783 127.149 120.400 -0.058 0.000 2.347 472 D HA 0.153 4.789 4.640 -0.007 0.000 0.235 472 D C 0.671 176.961 176.300 -0.016 0.000 1.149 472 D CA -0.362 53.625 54.000 -0.022 0.000 0.850 472 D CB 1.360 42.153 40.800 -0.013 0.000 1.061 472 D HN 0.337 nan 8.370 nan 0.000 0.487 473 V N 1.851 121.797 119.914 0.054 0.000 3.421 473 V HA 0.220 4.336 4.120 -0.007 0.000 0.316 473 V C 0.600 176.906 176.094 0.353 0.000 1.347 473 V CA -0.163 62.244 62.300 0.179 0.000 1.183 473 V CB -0.961 30.962 31.823 0.167 0.000 1.092 473 V HN 0.444 nan 8.190 nan 0.000 0.433 474 S N 1.003 116.820 115.700 0.195 0.000 2.564 474 S HA 0.499 4.965 4.470 -0.007 0.000 0.278 474 S C -2.397 172.267 174.600 0.108 0.000 1.333 474 S CA -0.960 57.331 58.200 0.152 0.000 1.048 474 S CB 0.477 63.724 63.200 0.078 0.000 0.900 474 S HN 0.374 nan 8.310 nan 0.000 0.505 475 P HA 0.154 nan 4.420 nan 0.000 0.266 475 P C 0.524 177.797 177.300 -0.045 0.000 1.195 475 P CA -0.414 62.721 63.100 0.058 0.000 0.768 475 P CB 0.508 32.254 31.700 0.076 0.000 0.838 476 K N 2.124 122.453 120.400 -0.119 0.000 2.025 476 K HA -0.111 4.205 4.320 -0.007 0.000 0.207 476 K C -0.148 176.180 176.600 -0.455 0.000 1.049 476 K CA 1.270 57.380 56.287 -0.296 0.000 0.933 476 K CB -0.014 32.289 32.500 -0.328 0.000 0.714 476 K HN 0.612 nan 8.250 nan 0.000 0.438 477 H N -1.102 117.973 119.070 0.008 0.000 2.856 477 H HA 0.329 4.881 4.556 -0.007 0.000 0.355 477 H C -1.764 173.559 175.328 -0.009 0.000 1.079 477 H CA -1.115 54.932 56.048 -0.003 0.000 1.240 477 H CB 2.258 32.013 29.762 -0.012 0.000 1.701 477 H HN -0.187 nan 8.280 nan 0.000 0.527 478 V N 2.983 122.963 119.914 0.110 0.000 2.409 478 V HA 0.754 4.870 4.120 -0.007 0.000 0.291 478 V C 0.367 176.490 176.094 0.049 0.000 1.020 478 V CA -0.049 62.278 62.300 0.045 0.000 0.848 478 V CB 1.082 32.912 31.823 0.012 0.000 0.990 478 V HN 1.035 nan 8.190 nan 0.000 0.430 479 G N 2.131 110.939 108.800 0.013 0.000 3.255 479 G HA2 0.232 4.189 3.960 -0.007 0.000 0.161 479 G HA3 0.232 4.189 3.960 -0.007 0.000 0.161 479 G C 0.276 175.196 174.900 0.034 0.000 1.173 479 G CA 0.012 45.131 45.100 0.031 0.000 1.106 479 G HN 0.405 nan 8.290 nan 0.000 0.650 480 F N 2.240 122.136 119.950 -0.089 0.000 2.154 480 F HA 0.316 4.839 4.527 -0.007 0.000 0.301 480 F C 1.067 176.781 175.800 -0.143 0.000 1.087 480 F CA 1.589 59.535 58.000 -0.092 0.000 1.274 480 F CB -0.130 38.838 39.000 -0.053 0.000 1.009 480 F HN 0.485 nan 8.300 nan 0.000 0.485 481 A N -0.878 121.739 122.820 -0.337 0.000 2.435 481 A HA 0.650 4.966 4.320 -0.007 0.000 0.296 481 A C -0.560 176.920 177.584 -0.173 0.000 1.147 481 A CA -0.354 51.434 52.037 -0.415 0.000 0.775 481 A CB 0.791 19.353 19.000 -0.729 0.000 1.340 481 A HN 0.048 nan 8.150 nan 0.000 0.427 482 T N 2.112 116.614 114.554 -0.086 0.000 2.771 482 T HA 0.530 4.876 4.350 -0.007 0.000 0.281 482 T C -0.441 174.347 174.700 0.147 0.000 0.982 482 T CA -0.078 62.044 62.100 0.036 0.000 0.978 482 T CB 0.292 69.179 68.868 0.032 0.000 0.930 482 T HN 0.374 nan 8.240 nan 0.000 0.447 483 I N 6.063 126.717 120.570 0.140 0.000 2.389 483 I HA 0.363 4.529 4.170 -0.007 0.000 0.288 483 I C -2.235 173.882 176.117 -0.001 0.000 0.999 483 I CA -3.424 57.955 61.300 0.131 0.000 1.129 483 I CB 1.256 39.361 38.000 0.176 0.000 1.288 483 I HN 0.303 nan 8.210 nan 0.000 0.444 484 P HA 0.217 nan 4.420 nan 0.000 0.272 484 P C -0.174 176.992 177.300 -0.223 0.000 1.230 484 P CA -0.545 62.224 63.100 -0.552 0.000 0.788 484 P CB 0.798 31.900 31.700 -0.996 0.000 0.949 485 R N 1.168 121.552 120.500 -0.193 0.000 2.698 485 R HA 0.029 4.365 4.340 -0.007 0.000 0.266 485 R C 0.408 176.736 176.300 0.047 0.000 1.026 485 R CA 0.194 56.250 56.100 -0.074 0.000 1.102 485 R CB -0.465 29.797 30.300 -0.063 0.000 0.978 485 R HN 0.507 nan 8.270 nan 0.000 0.436 486 N N 2.374 121.099 118.700 0.041 0.000 2.412 486 N HA 0.065 4.801 4.740 -0.007 0.000 0.254 486 N C -0.926 174.675 175.510 0.151 0.000 1.232 486 N CA 0.466 53.555 53.050 0.064 0.000 0.880 486 N CB 0.192 38.690 38.487 0.019 0.000 1.076 486 N HN 0.467 nan 8.380 nan 0.000 0.458 487 Y N -2.346 117.930 120.300 -0.041 0.000 2.670 487 Y HA 0.751 5.298 4.550 -0.006 0.000 0.334 487 Y C -0.849 175.039 175.900 -0.021 0.000 1.185 487 Y CA -1.367 56.711 58.100 -0.037 0.000 1.053 487 Y CB 0.957 39.386 38.460 -0.051 0.000 1.298 487 Y HN 0.513 nan 8.280 nan 0.000 0.459 488 T N 0.603 115.154 114.554 -0.004 0.000 2.907 488 T HA 0.793 5.139 4.350 -0.007 0.000 0.292 488 T C -0.682 174.027 174.700 0.014 0.000 1.043 488 T CA -0.767 61.279 62.100 -0.089 0.000 1.003 488 T CB 1.864 70.703 68.868 -0.048 0.000 1.084 488 T HN 1.206 nan 8.240 nan 0.000 0.483 489 M N -0.225 119.329 119.600 -0.077 0.000 2.682 489 M HA 0.731 5.207 4.480 -0.007 0.000 0.272 489 M C -1.621 174.550 176.300 -0.215 0.000 1.232 489 M CA -0.885 54.337 55.300 -0.128 0.000 0.849 489 M CB 2.127 34.630 32.600 -0.162 0.000 1.695 489 M HN 0.468 nan 8.290 nan 0.000 0.481 490 S N 0.908 116.449 115.700 -0.265 0.000 2.472 490 S HA 0.760 5.226 4.470 -0.007 0.000 0.303 490 S C -1.336 173.022 174.600 -0.403 0.000 1.099 490 S CA -0.547 57.518 58.200 -0.224 0.000 1.077 490 S CB 0.788 63.919 63.200 -0.115 0.000 1.031 490 S HN 0.488 nan 8.310 nan 0.000 0.487 491 F N 2.360 122.138 119.950 -0.286 0.000 2.308 491 F HA 0.433 4.956 4.527 -0.007 0.000 0.370 491 F C -0.124 175.587 175.800 -0.149 0.000 1.100 491 F CA -0.658 57.127 58.000 -0.358 0.000 1.108 491 F CB 0.276 38.721 39.000 -0.923 0.000 1.293 491 F HN 0.240 nan 8.300 nan 0.000 0.478 492 L N 5.209 126.516 121.223 0.140 0.000 2.307 492 L HA 0.499 4.835 4.340 -0.007 0.000 0.282 492 L C -2.290 174.718 176.870 0.230 0.000 1.051 492 L CA -2.231 52.692 54.840 0.139 0.000 0.804 492 L CB 1.208 43.295 42.059 0.048 0.000 1.197 492 L HN 0.261 nan 8.230 nan 0.000 0.431 493 P HA 0.032 nan 4.420 nan 0.000 0.266 493 P C 0.058 177.335 177.300 -0.038 0.000 1.195 493 P CA -0.256 62.861 63.100 0.029 0.000 0.768 493 P CB 0.433 32.071 31.700 -0.104 0.000 0.838 494 R N 2.014 122.516 120.500 0.003 0.000 2.285 494 R HA -0.121 4.215 4.340 -0.007 0.000 0.213 494 R C 0.104 176.497 176.300 0.155 0.000 1.068 494 R CA 0.914 57.042 56.100 0.046 0.000 1.004 494 R CB -0.910 29.396 30.300 0.010 0.000 0.873 494 R HN 0.716 nan 8.270 nan 0.000 0.467 495 H N -3.545 115.522 119.070 -0.005 0.000 3.615 495 H HA -0.096 4.456 4.556 -0.006 0.000 0.163 495 H C -0.353 174.842 175.328 -0.222 0.000 0.853 495 H CA 0.863 56.853 56.048 -0.097 0.000 1.227 495 H CB -1.217 28.471 29.762 -0.123 0.000 0.912 495 H HN 0.403 nan 8.280 nan 0.000 0.442 496 H N 0.000 119.085 119.070 0.025 0.000 2.539 496 H HA 0.000 4.552 4.556 -0.007 0.000 0.296 496 H CA 0.000 56.044 56.048 -0.007 0.000 1.023 496 H CB 0.000 29.752 29.762 -0.017 0.000 1.292 496 H HN 0.000 nan 8.280 nan 0.000 0.496