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 2vsa_1_A DATA FIRST_RESID 32 DATA SEQUENCE PNSPKDNTWI QAASLTWLMD MSSLLYQLIS TRIPSFASPN GLHMREQTID DATA SEQUENCE SNTGQIQIDN EHRLLRWDRR PPNDIFLNGF IPRVTNQNLS PVEDTHLLNY DATA SEQUENCE LRTNSPSIFV STTRARYNNL GLEITPWTPH SANNNIIYRY EIFAPGGIDI DATA SEQUENCE NASFSRNXXX XPNEDEITFP GGIRPEFIRS TYEYHNGEIV RIWINPNFIN DATA SEQUENCE PSTLNDVSGP SNISKVFWHE NHSEGNNMDS XXXXXXXXXN QDFDMFAPNG DATA SEQUENCE EIPNNNLLNN NSLNVIQNSE YQIKNKKDRN IVVTLDSDYG GSPVESYKNF DATA SEQUENCE GFENQKWNIK YDSKKNAYKI YNRETPTLLL SWNSNSSNGE QVIRGYTESG DATA SEQUENCE SNNQYWTIEK NVNGFYKFRN LSDPSKILDL KDGNTLNKTP LVVSSENSSS DATA SEQUENCE SQEWLIEKTN YQTVKDGTYQ VSSKLNENKV IEQISTNKVH IFSNSDKENQ DATA SEQUENCE VWNLIYNPIL KAYKIKSLKY PNYSLAWDSN NTRTIVAATG DYNDQYWLIE DATA SEQUENCE RNEDNTYIIR NYENRKIVLD LSNGSTTDGN GLLGFEFHGG INQRWIIKPF DATA SEQUENCE SFNSIQDGIY QFMTVINQDL IADLTTNNYT IATKTNNYSS NQKWTVTYND DATA SEQUENCE KKRAYKIRNL QHAHLSLAWD SNHSDKIFGA TGDYDDQYWI PILQTDGSFI DATA SEQUENCE FRNYKNPNKI FGTNGQPIND IPLKAQDVTG QNNQKWYLRH LNSSNNFTGY DATA SEQUENCE FNISSKKNFN KIITMNSNKT QAVIFDNIGI NNQSWKLKYN DNKNAYQIHI DATA SEQUENCE LDNFLYFQGG HNIVATMRNV TNDDLRSYWY VEYNFNKDGF IIRNAFDTSY DATA SEQUENCE VLDVFQGNFA NNTPIITYQN YLNDNQLWNF IPSLG 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 32 P HA 0.000 nan 4.420 nan 0.000 0.216 32 P C 0.000 177.262 177.300 -0.063 0.000 1.155 32 P CA 0.000 63.081 63.100 -0.033 0.000 0.800 32 P CB 0.000 31.684 31.700 -0.027 0.000 0.726 33 N N -2.357 116.273 118.700 -0.117 0.000 2.965 33 N HA -0.141 4.598 4.740 -0.002 0.000 0.232 33 N C 0.108 175.356 175.510 -0.436 0.000 0.913 33 N CA 0.984 53.928 53.050 -0.177 0.000 0.981 33 N CB -1.293 37.149 38.487 -0.076 0.000 1.077 33 N HN 0.593 nan 8.380 nan 0.000 0.589 34 S N 0.109 115.483 115.700 -0.543 0.000 2.641 34 S HA 0.559 5.028 4.470 -0.002 0.000 0.261 34 S C -2.214 171.945 174.600 -0.735 0.000 1.257 34 S CA -1.079 56.483 58.200 -1.064 0.000 0.983 34 S CB 0.524 63.392 63.200 -0.553 0.000 0.990 34 S HN -0.083 nan 8.310 nan 0.000 0.572 35 P HA 0.168 nan 4.420 nan 0.000 0.267 35 P C 0.165 177.338 177.300 -0.211 0.000 1.200 35 P CA -0.307 62.519 63.100 -0.456 0.000 0.772 35 P CB 0.341 31.708 31.700 -0.555 0.000 0.855 36 K N 0.855 121.168 120.400 -0.145 0.000 2.147 36 K HA -0.071 4.247 4.320 -0.002 0.000 0.205 36 K C 0.396 176.985 176.600 -0.017 0.000 1.049 36 K CA 1.286 57.528 56.287 -0.076 0.000 0.936 36 K CB -0.357 32.105 32.500 -0.064 0.000 0.722 36 K HN 0.655 nan 8.250 nan 0.000 0.446 37 D N -2.223 118.195 120.400 0.030 0.000 2.665 37 D HA 0.053 4.692 4.640 -0.002 0.000 0.287 37 D C -0.339 176.074 176.300 0.189 0.000 1.266 37 D CA -0.859 53.189 54.000 0.080 0.000 0.830 37 D CB -0.009 40.818 40.800 0.044 0.000 1.356 37 D HN -0.259 nan 8.370 nan 0.000 0.437 38 N N -0.782 117.997 118.700 0.133 0.000 2.334 38 N HA -0.146 4.593 4.740 -0.002 0.000 0.187 38 N C 1.206 176.757 175.510 0.068 0.000 1.016 38 N CA 1.888 54.988 53.050 0.083 0.000 0.879 38 N CB -0.440 38.047 38.487 -0.001 0.000 0.965 38 N HN 0.508 nan 8.380 nan 0.000 0.438 39 T N 0.932 115.558 114.554 0.119 0.000 2.624 39 T HA -0.243 4.106 4.350 -0.002 0.000 0.266 39 T C 1.489 176.242 174.700 0.088 0.000 1.050 39 T CA 1.736 63.881 62.100 0.076 0.000 1.163 39 T CB -0.604 68.301 68.868 0.062 0.000 0.861 39 T HN 0.613 nan 8.240 nan 0.000 0.443 40 W N 3.189 124.458 121.300 -0.052 0.000 2.341 40 W HA -0.075 4.583 4.660 -0.002 0.000 0.283 40 W C 1.411 177.912 176.519 -0.030 0.000 1.215 40 W CA 1.081 58.390 57.345 -0.059 0.000 1.211 40 W CB -1.065 28.362 29.460 -0.055 0.000 1.131 40 W HN 0.513 nan 8.180 nan 0.000 0.552 41 I N -1.974 118.252 120.570 -0.574 0.000 4.050 41 I HA 0.228 4.397 4.170 -0.002 0.000 0.327 41 I C 1.878 177.817 176.117 -0.296 0.000 1.473 41 I CA -0.324 60.650 61.300 -0.544 0.000 1.124 41 I CB -0.305 37.166 38.000 -0.882 0.000 1.129 41 I HN -0.143 nan 8.210 nan 0.000 0.428 42 Q N 1.970 121.656 119.800 -0.191 0.000 2.297 42 Q HA -0.096 4.243 4.340 -0.002 0.000 0.208 42 Q C 2.314 178.244 176.000 -0.118 0.000 0.981 42 Q CA 1.674 57.405 55.803 -0.120 0.000 0.876 42 Q CB 0.032 28.726 28.738 -0.075 0.000 0.921 42 Q HN 0.783 nan 8.270 nan 0.000 0.446 43 A N 0.971 123.672 122.820 -0.199 0.000 2.119 43 A HA 0.205 4.523 4.320 -0.002 0.000 0.216 43 A C 1.116 178.678 177.584 -0.037 0.000 1.152 43 A CA 0.452 52.301 52.037 -0.313 0.000 0.708 43 A CB -0.275 18.447 19.000 -0.463 0.000 0.805 43 A HN 0.319 nan 8.150 nan 0.000 0.460 44 A N 0.622 123.389 122.820 -0.087 0.000 2.583 44 A HA 0.220 4.539 4.320 -0.002 0.000 0.249 44 A C 1.630 179.165 177.584 -0.082 0.000 1.035 44 A CA 0.816 52.775 52.037 -0.130 0.000 0.777 44 A CB -0.179 18.659 19.000 -0.270 0.000 0.942 44 A HN 0.840 nan 8.150 nan 0.000 0.516 45 S N 2.941 118.602 115.700 -0.065 0.000 2.356 45 S HA -0.077 4.392 4.470 -0.002 0.000 0.223 45 S C 0.978 175.501 174.600 -0.128 0.000 1.032 45 S CA 0.954 59.128 58.200 -0.043 0.000 1.005 45 S CB -0.516 62.674 63.200 -0.017 0.000 0.867 45 S HN 0.645 nan 8.310 nan 0.000 0.449 46 L N 3.470 124.533 121.223 -0.267 0.000 2.449 46 L HA 0.073 4.412 4.340 -0.002 0.000 0.266 46 L C 1.939 178.378 176.870 -0.718 0.000 1.321 46 L CA 0.243 54.746 54.840 -0.561 0.000 1.194 46 L CB -0.705 40.851 42.059 -0.839 0.000 1.384 46 L HN 0.558 nan 8.230 nan 0.000 0.438 47 T N -2.238 112.097 114.554 -0.364 0.000 2.803 47 T HA -0.216 4.133 4.350 -0.002 0.000 0.269 47 T C 1.531 176.121 174.700 -0.184 0.000 1.052 47 T CA 0.921 62.905 62.100 -0.194 0.000 1.136 47 T CB -0.277 68.575 68.868 -0.026 0.000 0.864 47 T HN 0.760 nan 8.240 nan 0.000 0.467 48 W N 0.870 122.126 121.300 -0.073 0.000 2.538 48 W HA 0.188 4.847 4.660 -0.002 0.000 0.254 48 W C 1.453 177.914 176.519 -0.096 0.000 1.249 48 W CA -0.235 57.054 57.345 -0.094 0.000 1.253 48 W CB -0.891 28.495 29.460 -0.124 0.000 1.130 48 W HN 0.280 nan 8.180 nan 0.000 0.618 49 L N 1.094 122.033 121.223 -0.473 0.000 2.375 49 L HA 0.099 4.438 4.340 -0.002 0.000 0.215 49 L C 2.620 179.337 176.870 -0.255 0.000 1.108 49 L CA 1.012 55.590 54.840 -0.436 0.000 0.830 49 L CB -0.383 41.184 42.059 -0.820 0.000 0.959 49 L HN -0.224 nan 8.230 nan 0.000 0.457 50 M N 0.116 119.578 119.600 -0.230 0.000 2.195 50 M HA -0.196 4.282 4.480 -0.002 0.000 0.260 50 M C 0.289 176.525 176.300 -0.107 0.000 1.066 50 M CA 1.938 57.130 55.300 -0.180 0.000 1.089 50 M CB -0.504 32.026 32.600 -0.116 0.000 1.377 50 M HN 0.411 nan 8.290 nan 0.000 0.411 51 D N -1.404 118.967 120.400 -0.048 0.000 2.738 51 D HA 0.168 4.807 4.640 -0.002 0.000 0.246 51 D C 0.391 176.701 176.300 0.016 0.000 1.270 51 D CA 0.151 54.146 54.000 -0.009 0.000 0.833 51 D CB -0.214 40.589 40.800 0.006 0.000 1.040 51 D HN 0.267 nan 8.370 nan 0.000 0.487 52 M N -0.239 119.368 119.600 0.012 0.000 2.747 52 M HA 0.155 4.634 4.480 -0.002 0.000 0.402 52 M C 1.387 177.759 176.300 0.120 0.000 1.238 52 M CA -0.257 55.081 55.300 0.063 0.000 0.877 52 M CB 0.912 33.556 32.600 0.074 0.000 1.424 52 M HN 0.039 nan 8.290 nan 0.000 0.511 53 S N 0.491 116.277 115.700 0.143 0.000 2.404 53 S HA -0.212 4.257 4.470 -0.002 0.000 0.230 53 S C 1.898 176.737 174.600 0.399 0.000 1.046 53 S CA 2.674 61.092 58.200 0.364 0.000 1.135 53 S CB -0.039 63.403 63.200 0.402 0.000 1.056 53 S HN 0.606 nan 8.310 nan 0.000 0.426 54 S N 1.321 117.171 115.700 0.250 0.000 2.374 54 S HA -0.145 4.324 4.470 -0.002 0.000 0.227 54 S C 1.796 176.558 174.600 0.269 0.000 1.037 54 S CA 1.540 59.871 58.200 0.219 0.000 1.024 54 S CB -0.636 62.646 63.200 0.137 0.000 0.861 54 S HN 0.526 nan 8.310 nan 0.000 0.456 55 L N 0.942 122.312 121.223 0.246 0.000 2.056 55 L HA 0.023 4.362 4.340 -0.002 0.000 0.207 55 L C 2.094 179.141 176.870 0.296 0.000 1.078 55 L CA 1.338 56.337 54.840 0.264 0.000 0.749 55 L CB -0.397 41.798 42.059 0.228 0.000 0.901 55 L HN 0.220 nan 8.230 nan 0.000 0.433 56 L N -1.479 119.935 121.223 0.318 0.000 2.141 56 L HA -0.195 4.144 4.340 -0.002 0.000 0.209 56 L C 2.259 179.407 176.870 0.463 0.000 1.094 56 L CA 1.659 56.709 54.840 0.351 0.000 0.763 56 L CB -0.850 41.379 42.059 0.283 0.000 0.908 56 L HN 0.416 nan 8.230 nan 0.000 0.437 57 Y N 0.183 120.704 120.300 0.369 0.000 2.114 57 Y HA -0.342 4.207 4.550 -0.002 0.000 0.284 57 Y C 2.839 178.820 175.900 0.134 0.000 1.143 57 Y CA 2.367 60.560 58.100 0.155 0.000 1.135 57 Y CB -0.338 38.117 38.460 -0.010 0.000 0.980 57 Y HN 0.402 nan 8.280 nan 0.000 0.499 58 Q N -0.085 119.879 119.800 0.273 0.000 2.112 58 Q HA -0.229 4.110 4.340 -0.002 0.000 0.206 58 Q C 2.107 178.173 176.000 0.110 0.000 0.987 58 Q CA 2.349 58.267 55.803 0.191 0.000 0.858 58 Q CB -0.351 28.533 28.738 0.243 0.000 0.905 58 Q HN 0.598 nan 8.270 nan 0.000 0.420 59 L N 0.003 121.299 121.223 0.122 0.000 2.072 59 L HA -0.139 4.200 4.340 -0.002 0.000 0.205 59 L C 2.493 179.382 176.870 0.031 0.000 1.079 59 L CA 0.878 55.736 54.840 0.030 0.000 0.752 59 L CB -0.415 41.681 42.059 0.061 0.000 0.906 59 L HN 0.354 nan 8.230 nan 0.000 0.436 60 I N -0.404 120.219 120.570 0.089 0.000 2.226 60 I HA -0.277 3.891 4.170 -0.002 0.000 0.245 60 I C 2.554 178.676 176.117 0.008 0.000 1.100 60 I CA 1.263 62.635 61.300 0.120 0.000 1.374 60 I CB -0.142 37.977 38.000 0.199 0.000 1.057 60 I HN 0.189 nan 8.210 nan 0.000 0.413 61 S N -0.036 115.586 115.700 -0.129 0.000 2.387 61 S HA -0.124 4.345 4.470 -0.002 0.000 0.226 61 S C 2.011 176.595 174.600 -0.026 0.000 1.026 61 S CA 1.648 59.750 58.200 -0.164 0.000 0.972 61 S CB -0.451 62.555 63.200 -0.323 0.000 0.814 61 S HN 0.470 nan 8.310 nan 0.000 0.477 62 T N 2.343 116.917 114.554 0.033 0.000 2.759 62 T HA -0.067 4.282 4.350 -0.002 0.000 0.269 62 T C 1.690 176.474 174.700 0.140 0.000 1.042 62 T CA 0.992 63.162 62.100 0.117 0.000 1.140 62 T CB -0.183 68.802 68.868 0.195 0.000 0.864 62 T HN 0.151 nan 8.240 nan 0.000 0.455 63 R N 0.548 121.106 120.500 0.096 0.000 2.276 63 R HA 0.284 4.623 4.340 -0.002 0.000 0.203 63 R C 0.575 176.948 176.300 0.120 0.000 1.017 63 R CA 0.086 56.232 56.100 0.076 0.000 1.010 63 R CB -0.624 29.602 30.300 -0.124 0.000 0.900 63 R HN 0.459 nan 8.270 nan 0.000 0.469 64 I N 3.722 124.340 120.570 0.080 0.000 2.304 64 I HA 0.188 4.357 4.170 -0.002 0.000 0.291 64 I C -2.063 174.031 176.117 -0.039 0.000 1.018 64 I CA -2.096 59.231 61.300 0.044 0.000 1.260 64 I CB 1.614 39.671 38.000 0.095 0.000 1.390 64 I HN -0.210 nan 8.210 nan 0.000 0.475 65 P HA 0.141 nan 4.420 nan 0.000 0.288 65 P C 0.684 177.776 177.300 -0.346 0.000 1.267 65 P CA -0.450 62.536 63.100 -0.190 0.000 0.815 65 P CB 1.756 33.365 31.700 -0.152 0.000 0.989 66 S N 3.686 119.139 115.700 -0.412 0.000 2.406 66 S HA -0.288 4.180 4.470 -0.002 0.000 0.242 66 S C 1.707 176.190 174.600 -0.194 0.000 1.079 66 S CA 2.401 60.318 58.200 -0.472 0.000 1.133 66 S CB -1.381 61.110 63.200 -1.181 0.000 1.005 66 S HN 0.520 nan 8.310 nan 0.000 0.443 67 F N 1.849 121.782 119.950 -0.030 0.000 2.126 67 F HA 0.186 4.712 4.527 -0.002 0.000 0.299 67 F C 2.441 178.287 175.800 0.077 0.000 1.096 67 F CA 0.841 58.888 58.000 0.077 0.000 1.255 67 F CB -1.268 37.827 39.000 0.157 0.000 0.997 67 F HN 0.282 nan 8.300 nan 0.000 0.479 68 A N -0.803 121.694 122.820 -0.539 0.000 2.119 68 A HA 0.093 4.412 4.320 -0.002 0.000 0.217 68 A C 1.335 178.976 177.584 0.094 0.000 1.153 68 A CA 1.069 52.971 52.037 -0.226 0.000 0.692 68 A CB -0.617 18.144 19.000 -0.397 0.000 0.799 68 A HN 0.378 nan 8.150 nan 0.000 0.458 69 S N -0.984 114.707 115.700 -0.015 0.000 2.461 69 S HA 0.475 4.944 4.470 -0.002 0.000 0.216 69 S C -2.343 172.198 174.600 -0.100 0.000 1.201 69 S CA -1.035 57.117 58.200 -0.080 0.000 1.171 69 S CB 0.972 64.069 63.200 -0.171 0.000 1.169 69 S HN 0.048 nan 8.310 nan 0.000 0.456 70 P HA 0.021 nan 4.420 nan 0.000 0.215 70 P C 0.132 177.393 177.300 -0.063 0.000 1.153 70 P CA 1.250 64.324 63.100 -0.044 0.000 0.853 70 P CB 0.021 31.711 31.700 -0.017 0.000 0.788 71 N N -1.259 117.393 118.700 -0.081 0.000 2.282 71 N HA 0.367 5.106 4.740 -0.002 0.000 0.240 71 N C 0.252 175.719 175.510 -0.072 0.000 1.182 71 N CA 0.114 53.122 53.050 -0.069 0.000 0.874 71 N CB 0.690 39.139 38.487 -0.064 0.000 1.126 71 N HN 0.065 nan 8.380 nan 0.000 0.516 72 G N 0.973 109.712 108.800 -0.101 0.000 2.829 72 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.628 72 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.628 72 G C -0.415 174.378 174.900 -0.178 0.000 1.412 72 G CA -0.948 44.097 45.100 -0.091 0.000 0.864 72 G HN 0.164 nan 8.290 nan 0.000 0.544 73 L N 1.292 122.399 121.223 -0.193 0.000 2.540 73 L HA 0.149 4.487 4.340 -0.002 0.000 0.276 73 L C 1.336 178.135 176.870 -0.119 0.000 1.212 73 L CA -0.175 54.516 54.840 -0.250 0.000 0.893 73 L CB 0.437 42.377 42.059 -0.198 0.000 1.138 73 L HN 0.673 nan 8.230 nan 0.000 0.491 74 H N 5.240 124.173 119.070 -0.228 0.000 2.604 74 H HA 0.270 4.824 4.556 -0.002 0.000 0.306 74 H C -0.500 174.752 175.328 -0.126 0.000 1.075 74 H CA -1.068 54.886 56.048 -0.156 0.000 1.357 74 H CB 1.023 30.702 29.762 -0.138 0.000 1.426 74 H HN 0.409 nan 8.280 nan 0.000 0.470 75 M N 3.728 123.054 119.600 -0.455 0.000 2.288 75 M HA 0.253 4.732 4.480 -0.002 0.000 0.334 75 M C 0.617 176.656 176.300 -0.434 0.000 1.150 75 M CA -0.471 54.628 55.300 -0.334 0.000 1.118 75 M CB 0.506 32.959 32.600 -0.245 0.000 1.501 75 M HN 0.525 nan 8.290 nan 0.000 0.462 76 R N 1.595 121.977 120.500 -0.197 0.000 2.404 76 R HA 0.106 4.445 4.340 -0.002 0.000 0.315 76 R C -0.142 176.108 176.300 -0.084 0.000 1.032 76 R CA 0.133 56.173 56.100 -0.099 0.000 0.992 76 R CB 0.160 30.455 30.300 -0.008 0.000 0.959 76 R HN 0.602 nan 8.270 nan 0.000 0.428 77 E N 2.025 122.194 120.200 -0.052 0.000 2.345 77 E HA -0.015 4.334 4.350 -0.002 0.000 0.259 77 E C 0.342 176.942 176.600 0.001 0.000 1.117 77 E CA -0.458 55.930 56.400 -0.019 0.000 0.913 77 E CB 0.679 30.394 29.700 0.025 0.000 1.057 77 E HN 0.440 nan 8.360 nan 0.000 0.432 78 Q N -1.199 118.572 119.800 -0.048 0.000 2.261 78 Q HA -0.278 4.061 4.340 -0.002 0.000 0.155 78 Q C 1.565 177.347 176.000 -0.364 0.000 0.598 78 Q CA 1.852 57.573 55.803 -0.137 0.000 1.376 78 Q CB -2.608 26.139 28.738 0.015 0.000 1.356 78 Q HN 0.910 nan 8.270 nan 0.000 0.947 79 T N -1.743 112.596 114.554 -0.358 0.000 2.760 79 T HA -0.048 4.301 4.350 -0.002 0.000 0.269 79 T C 1.090 175.703 174.700 -0.144 0.000 1.047 79 T CA 1.598 63.526 62.100 -0.288 0.000 1.139 79 T CB -0.032 68.782 68.868 -0.091 0.000 0.855 79 T HN 0.218 nan 8.240 nan 0.000 0.471 80 I N 0.951 121.461 120.570 -0.100 0.000 2.707 80 I HA 0.491 4.660 4.170 -0.002 0.000 0.309 80 I C -0.011 176.079 176.117 -0.045 0.000 1.001 80 I CA -1.657 59.614 61.300 -0.048 0.000 1.129 80 I CB 1.745 39.727 38.000 -0.029 0.000 1.308 80 I HN 0.045 nan 8.210 nan 0.000 0.466 81 D N 1.188 121.574 120.400 -0.023 0.000 2.294 81 D HA 0.315 4.954 4.640 -0.002 0.000 0.250 81 D C 0.067 176.360 176.300 -0.011 0.000 1.058 81 D CA 0.079 54.070 54.000 -0.014 0.000 0.950 81 D CB 1.743 42.540 40.800 -0.005 0.000 1.158 81 D HN 0.372 nan 8.370 nan 0.000 0.453 82 S N 0.729 116.425 115.700 -0.006 0.000 2.559 82 S HA 0.133 4.602 4.470 -0.002 0.000 0.226 82 S C 1.106 175.703 174.600 -0.004 0.000 1.000 82 S CA -0.348 57.848 58.200 -0.006 0.000 0.948 82 S CB 0.076 63.273 63.200 -0.005 0.000 0.870 82 S HN 0.437 nan 8.310 nan 0.000 0.497 83 N N 0.800 119.499 118.700 -0.001 0.000 2.325 83 N HA 0.022 4.761 4.740 -0.002 0.000 0.182 83 N C 1.310 176.819 175.510 -0.001 0.000 1.088 83 N CA 1.216 54.266 53.050 -0.000 0.000 0.879 83 N CB 0.665 39.154 38.487 0.003 0.000 0.983 83 N HN 0.526 nan 8.380 nan 0.000 0.471 84 T N -5.036 109.516 114.554 -0.003 0.000 3.051 84 T HA 0.239 4.588 4.350 -0.002 0.000 0.254 84 T C 1.316 176.010 174.700 -0.009 0.000 0.916 84 T CA 0.947 63.044 62.100 -0.005 0.000 0.894 84 T CB 0.677 69.544 68.868 -0.002 0.000 1.251 84 T HN 0.083 nan 8.240 nan 0.000 0.517 85 G N 1.504 110.299 108.800 -0.009 0.000 2.205 85 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.261 85 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.261 85 G C 0.035 174.930 174.900 -0.008 0.000 0.980 85 G CA 0.347 45.441 45.100 -0.010 0.000 0.632 85 G HN 0.742 nan 8.290 nan 0.000 0.533 86 Q N -0.132 119.663 119.800 -0.009 0.000 2.260 86 Q HA 0.601 4.939 4.340 -0.002 0.000 0.238 86 Q C 0.690 176.691 176.000 0.002 0.000 0.948 86 Q CA -0.786 55.012 55.803 -0.009 0.000 0.895 86 Q CB 0.894 29.620 28.738 -0.021 0.000 1.218 86 Q HN 0.339 nan 8.270 nan 0.000 0.470 87 I N 2.255 122.837 120.570 0.020 0.000 2.668 87 I HA -0.127 4.042 4.170 -0.002 0.000 0.285 87 I C 0.806 176.953 176.117 0.050 0.000 1.168 87 I CA 0.545 61.877 61.300 0.052 0.000 1.424 87 I CB 0.225 38.301 38.000 0.126 0.000 1.377 87 I HN 0.146 nan 8.210 nan 0.000 0.560 88 Q N 6.732 126.565 119.800 0.054 0.000 2.286 88 Q HA 0.244 4.583 4.340 -0.002 0.000 0.267 88 Q C -0.215 175.867 176.000 0.136 0.000 1.028 88 Q CA 0.376 56.220 55.803 0.069 0.000 0.901 88 Q CB 0.799 29.557 28.738 0.034 0.000 1.183 88 Q HN 0.489 nan 8.270 nan 0.000 0.392 89 I N 3.439 124.005 120.570 -0.007 0.000 3.010 89 I HA 0.077 4.246 4.170 -0.002 0.000 0.330 89 I C 0.178 176.244 176.117 -0.086 0.000 1.334 89 I CA -0.419 60.705 61.300 -0.293 0.000 0.945 89 I CB 0.211 37.862 38.000 -0.582 0.000 2.027 89 I HN 0.422 nan 8.210 nan 0.000 0.564 90 D N -0.034 120.476 120.400 0.183 0.000 2.506 90 D HA 0.213 4.852 4.640 -0.002 0.000 0.254 90 D C 0.399 176.838 176.300 0.233 0.000 1.089 90 D CA -0.661 53.436 54.000 0.162 0.000 1.050 90 D CB 0.658 41.532 40.800 0.124 0.000 1.221 90 D HN 0.087 nan 8.370 nan 0.000 0.589 91 N N -0.471 118.248 118.700 0.031 0.000 2.058 91 N HA -0.217 4.522 4.740 -0.002 0.000 0.191 91 N C 1.329 176.818 175.510 -0.036 0.000 1.037 91 N CA 1.191 54.168 53.050 -0.122 0.000 0.848 91 N CB -0.063 38.077 38.487 -0.578 0.000 1.021 91 N HN 0.545 nan 8.380 nan 0.000 0.422 92 E N 1.163 121.298 120.200 -0.108 0.000 2.136 92 E HA -0.241 4.108 4.350 -0.002 0.000 0.208 92 E C 0.479 176.893 176.600 -0.310 0.000 1.035 92 E CA 1.785 58.031 56.400 -0.257 0.000 0.838 92 E CB -0.147 29.293 29.700 -0.433 0.000 0.748 92 E HN 0.571 nan 8.360 nan 0.000 0.459 93 H N -1.589 117.574 119.070 0.155 0.000 2.486 93 H HA 0.323 4.878 4.556 -0.003 0.000 0.284 93 H C -0.210 175.209 175.328 0.151 0.000 1.103 93 H CA -0.309 55.840 56.048 0.169 0.000 1.089 93 H CB 0.272 30.150 29.762 0.192 0.000 1.603 93 H HN -0.070 nan 8.280 nan 0.000 0.557 94 R N 1.627 122.225 120.500 0.164 0.000 2.389 94 R HA 0.340 4.679 4.340 -0.002 0.000 0.295 94 R C -0.995 175.240 176.300 -0.107 0.000 1.075 94 R CA -0.115 55.900 56.100 -0.142 0.000 1.005 94 R CB 0.350 30.663 30.300 0.021 0.000 0.987 94 R HN 0.212 nan 8.270 nan 0.000 0.452 95 L N 4.956 126.033 121.223 -0.243 0.000 2.301 95 L HA 0.635 4.973 4.340 -0.002 0.000 0.264 95 L C -0.916 175.860 176.870 -0.157 0.000 1.016 95 L CA -1.262 53.517 54.840 -0.101 0.000 0.821 95 L CB 1.900 43.961 42.059 0.003 0.000 1.346 95 L HN 0.527 nan 8.230 nan 0.000 0.429 96 L N 1.039 122.199 121.223 -0.105 0.000 2.445 96 L HA 0.647 4.986 4.340 -0.002 0.000 0.262 96 L C -0.792 175.992 176.870 -0.144 0.000 0.974 96 L CA -0.515 54.222 54.840 -0.172 0.000 0.822 96 L CB 2.376 44.283 42.059 -0.253 0.000 1.339 96 L HN 0.498 nan 8.230 nan 0.000 0.409 97 R N 1.169 121.577 120.500 -0.154 0.000 2.561 97 R HA 0.450 4.789 4.340 -0.002 0.000 0.297 97 R C -1.957 174.333 176.300 -0.016 0.000 0.969 97 R CA -0.505 55.528 56.100 -0.111 0.000 0.879 97 R CB 1.348 31.436 30.300 -0.353 0.000 1.178 97 R HN 0.570 nan 8.270 nan 0.000 0.445 98 W N 3.878 125.283 121.300 0.176 0.000 2.335 98 W HA 0.307 4.966 4.660 -0.002 0.000 0.306 98 W C 0.050 176.719 176.519 0.250 0.000 1.216 98 W CA 0.004 57.487 57.345 0.230 0.000 1.237 98 W CB 0.951 30.524 29.460 0.189 0.000 1.243 98 W HN 0.301 nan 8.180 nan 0.000 0.493 99 D N 1.720 122.461 120.400 0.568 0.000 2.857 99 D HA 0.262 4.900 4.640 -0.002 0.000 0.227 99 D C 0.540 177.155 176.300 0.526 0.000 1.192 99 D CA -0.615 53.677 54.000 0.488 0.000 0.857 99 D CB 1.910 42.991 40.800 0.468 0.000 1.645 99 D HN 0.357 nan 8.370 nan 0.000 0.482 100 R N 1.143 121.884 120.500 0.403 0.000 2.297 100 R HA 0.142 4.480 4.340 -0.002 0.000 0.197 100 R C 0.395 176.910 176.300 0.358 0.000 0.943 100 R CA 0.061 56.394 56.100 0.389 0.000 1.038 100 R CB 0.537 31.006 30.300 0.283 0.000 0.957 100 R HN 0.069 nan 8.270 nan 0.000 0.484 101 R N 1.989 122.644 120.500 0.259 0.000 2.389 101 R HA 0.137 4.476 4.340 -0.002 0.000 0.295 101 R C -2.207 174.006 176.300 -0.145 0.000 1.075 101 R CA -1.639 54.508 56.100 0.079 0.000 1.005 101 R CB 0.429 30.740 30.300 0.019 0.000 0.987 101 R HN -0.021 nan 8.270 nan 0.000 0.452 102 P HA 0.079 nan 4.420 nan 0.000 0.273 102 P C -2.255 174.581 177.300 -0.773 0.000 1.250 102 P CA -1.529 61.079 63.100 -0.819 0.000 0.793 102 P CB 0.514 32.003 31.700 -0.352 0.000 1.011 103 P HA -0.146 nan 4.420 nan 0.000 0.216 103 P C 1.256 178.018 177.300 -0.896 0.000 1.153 103 P CA 1.483 63.739 63.100 -1.407 0.000 0.848 103 P CB -0.315 30.128 31.700 -2.097 0.000 0.787 104 N N -0.557 117.947 118.700 -0.328 0.000 2.247 104 N HA -0.196 4.543 4.740 -0.002 0.000 0.189 104 N C 1.423 176.969 175.510 0.061 0.000 1.009 104 N CA 1.544 54.714 53.050 0.200 0.000 0.872 104 N CB -0.769 37.818 38.487 0.166 0.000 0.980 104 N HN 0.264 nan 8.380 nan 0.000 0.436 105 D N -0.235 120.069 120.400 -0.161 0.000 2.355 105 D HA 0.038 4.677 4.640 -0.002 0.000 0.233 105 D C 1.939 178.064 176.300 -0.293 0.000 0.997 105 D CA 0.241 54.147 54.000 -0.157 0.000 0.920 105 D CB -0.088 40.627 40.800 -0.142 0.000 1.063 105 D HN -0.088 nan 8.370 nan 0.000 0.465 106 I N 0.683 120.961 120.570 -0.487 0.000 2.179 106 I HA -0.186 3.983 4.170 -0.002 0.000 0.242 106 I C 2.072 177.862 176.117 -0.545 0.000 1.088 106 I CA 0.821 61.723 61.300 -0.664 0.000 1.357 106 I CB -1.104 36.282 38.000 -1.025 0.000 1.051 106 I HN 0.057 nan 8.210 nan 0.000 0.409 107 F N 0.384 119.869 119.950 -0.776 0.000 2.546 107 F HA -0.108 4.418 4.527 -0.002 0.000 0.298 107 F C 2.185 177.611 175.800 -0.623 0.000 1.120 107 F CA 0.693 58.169 58.000 -0.873 0.000 1.456 107 F CB -0.858 37.147 39.000 -1.657 0.000 1.088 107 F HN 0.080 nan 8.300 nan 0.000 0.572 108 L N -0.955 120.130 121.223 -0.230 0.000 2.537 108 L HA 0.235 4.573 4.340 -0.002 0.000 0.224 108 L C 1.429 178.283 176.870 -0.027 0.000 1.065 108 L CA 1.014 55.868 54.840 0.023 0.000 0.860 108 L CB -0.186 42.011 42.059 0.231 0.000 1.086 108 L HN -0.207 nan 8.230 nan 0.000 0.482 109 N N 0.213 118.839 118.700 -0.122 0.000 2.250 109 N HA 0.272 5.011 4.740 -0.002 0.000 0.190 109 N C 0.975 176.383 175.510 -0.170 0.000 1.116 109 N CA 0.817 53.801 53.050 -0.109 0.000 0.881 109 N CB 0.603 39.032 38.487 -0.097 0.000 1.006 109 N HN 0.398 nan 8.380 nan 0.000 0.491 110 G N 1.339 109.960 108.800 -0.299 0.000 2.641 110 G HA2 -0.295 3.663 3.960 -0.002 0.000 0.254 110 G HA3 -0.295 3.663 3.960 -0.002 0.000 0.254 110 G C -0.838 173.724 174.900 -0.564 0.000 1.315 110 G CA -0.421 44.432 45.100 -0.412 0.000 0.907 110 G HN 0.173 nan 8.290 nan 0.000 0.572 111 F N 0.371 120.262 119.950 -0.097 0.000 2.313 111 F HA 0.578 5.103 4.527 -0.002 0.000 0.369 111 F C 0.990 176.757 175.800 -0.055 0.000 1.109 111 F CA -0.528 57.418 58.000 -0.091 0.000 1.132 111 F CB 0.948 39.892 39.000 -0.094 0.000 1.291 111 F HN 0.327 nan 8.300 nan 0.000 0.496 112 I N 5.885 126.506 120.570 0.084 0.000 2.352 112 I HA 0.244 4.413 4.170 -0.002 0.000 0.290 112 I C -1.935 174.224 176.117 0.070 0.000 1.036 112 I CA -1.969 59.362 61.300 0.050 0.000 1.336 112 I CB 0.845 38.860 38.000 0.025 0.000 1.407 112 I HN 0.292 nan 8.210 nan 0.000 0.497 113 P HA 0.030 nan 4.420 nan 0.000 0.269 113 P C 0.284 177.611 177.300 0.045 0.000 1.211 113 P CA -0.041 63.073 63.100 0.024 0.000 0.781 113 P CB 0.482 32.149 31.700 -0.055 0.000 0.877 114 R N -0.014 120.520 120.500 0.057 0.000 2.241 114 R HA 0.023 4.362 4.340 -0.002 0.000 0.224 114 R C 0.039 176.370 176.300 0.052 0.000 1.101 114 R CA 0.697 56.836 56.100 0.065 0.000 0.995 114 R CB -0.175 30.175 30.300 0.084 0.000 0.870 114 R HN 0.261 nan 8.270 nan 0.000 0.463 115 V N 0.393 120.327 119.914 0.034 0.000 2.531 115 V HA 0.141 4.259 4.120 -0.002 0.000 0.301 115 V C 0.441 176.577 176.094 0.069 0.000 1.034 115 V CA -0.434 61.894 62.300 0.046 0.000 0.865 115 V CB 1.895 33.736 31.823 0.030 0.000 0.995 115 V HN 0.244 nan 8.190 nan 0.000 0.424 116 T N -0.821 113.806 114.554 0.121 0.000 3.043 116 T HA 0.119 4.468 4.350 -0.002 0.000 0.272 116 T C 0.485 175.363 174.700 0.296 0.000 0.990 116 T CA -0.399 61.825 62.100 0.206 0.000 0.897 116 T CB -0.153 68.810 68.868 0.158 0.000 1.111 116 T HN 0.632 nan 8.240 nan 0.000 0.529 117 N N 1.795 120.612 118.700 0.194 0.000 2.508 117 N HA 0.092 4.831 4.740 -0.002 0.000 0.264 117 N C 0.554 176.070 175.510 0.011 0.000 1.216 117 N CA -0.374 52.736 53.050 0.100 0.000 0.943 117 N CB 1.354 39.900 38.487 0.098 0.000 1.113 117 N HN 0.238 nan 8.380 nan 0.000 0.447 118 Q N -0.116 119.498 119.800 -0.310 0.000 2.311 118 Q HA -0.078 4.260 4.340 -0.002 0.000 0.203 118 Q C -0.110 175.756 176.000 -0.223 0.000 0.954 118 Q CA 0.683 55.986 55.803 -0.834 0.000 0.885 118 Q CB -0.054 28.139 28.738 -0.908 0.000 0.963 118 Q HN 0.640 nan 8.270 nan 0.000 0.471 119 N N 1.155 119.912 118.700 0.095 0.000 2.868 119 N HA 0.108 4.846 4.740 -0.002 0.000 0.252 119 N C -1.089 174.563 175.510 0.236 0.000 1.130 119 N CA 0.038 53.260 53.050 0.287 0.000 1.026 119 N CB -0.060 38.577 38.487 0.250 0.000 1.335 119 N HN 0.061 nan 8.380 nan 0.000 0.516 120 L N 0.910 122.271 121.223 0.231 0.000 2.417 120 L HA 0.242 4.581 4.340 -0.002 0.000 0.268 120 L C 0.641 177.637 176.870 0.210 0.000 1.158 120 L CA -0.297 54.672 54.840 0.216 0.000 0.819 120 L CB 0.974 43.174 42.059 0.235 0.000 1.112 120 L HN 0.408 nan 8.230 nan 0.000 0.458 121 S N 2.819 118.588 115.700 0.116 0.000 2.513 121 S HA 0.521 4.990 4.470 -0.002 0.000 0.299 121 S C -1.958 172.605 174.600 -0.062 0.000 1.087 121 S CA -1.495 56.728 58.200 0.037 0.000 1.012 121 S CB 1.831 65.043 63.200 0.019 0.000 1.044 121 S HN 0.387 nan 8.310 nan 0.000 0.485 122 P HA 0.067 nan 4.420 nan 0.000 0.241 122 P C 1.249 178.461 177.300 -0.146 0.000 1.191 122 P CA 0.282 63.236 63.100 -0.242 0.000 0.771 122 P CB 0.036 31.349 31.700 -0.645 0.000 0.929 123 V N 0.133 119.947 119.914 -0.166 0.000 2.379 123 V HA -0.093 4.026 4.120 -0.002 0.000 0.245 123 V C 2.285 178.260 176.094 -0.199 0.000 1.044 123 V CA 1.803 63.896 62.300 -0.345 0.000 1.036 123 V CB -0.484 30.970 31.823 -0.616 0.000 0.664 123 V HN 0.107 nan 8.190 nan 0.000 0.453 124 E N -1.919 118.244 120.200 -0.062 0.000 2.879 124 E HA 0.014 4.363 4.350 -0.002 0.000 0.206 124 E C 1.716 178.378 176.600 0.104 0.000 0.969 124 E CA 0.295 56.740 56.400 0.074 0.000 1.496 124 E CB -0.181 29.526 29.700 0.012 0.000 1.454 124 E HN 0.363 nan 8.360 nan 0.000 0.750 125 D N 1.203 121.627 120.400 0.040 0.000 2.170 125 D HA -0.156 4.483 4.640 -0.002 0.000 0.193 125 D C 1.795 178.101 176.300 0.010 0.000 1.004 125 D CA 2.488 56.504 54.000 0.027 0.000 0.860 125 D CB -0.221 40.599 40.800 0.032 0.000 0.931 125 D HN 0.323 nan 8.370 nan 0.000 0.448 126 T N -3.448 111.147 114.554 0.069 0.000 3.085 126 T HA 0.015 4.364 4.350 -0.002 0.000 0.264 126 T C 0.489 175.459 174.700 0.451 0.000 1.019 126 T CA -0.439 61.739 62.100 0.130 0.000 0.910 126 T CB -0.563 68.354 68.868 0.082 0.000 1.059 126 T HN 0.226 nan 8.240 nan 0.000 0.542 127 H N 1.651 120.871 119.070 0.250 0.000 3.224 127 H HA 0.265 4.820 4.556 -0.002 0.000 0.265 127 H C 1.254 176.717 175.328 0.224 0.000 1.461 127 H CA -0.874 55.295 56.048 0.202 0.000 1.509 127 H CB 0.273 30.111 29.762 0.127 0.000 1.686 127 H HN 0.140 nan 8.280 nan 0.000 0.514 128 L N 4.446 125.854 121.223 0.309 0.000 1.976 128 L HA -0.193 4.145 4.340 -0.002 0.000 0.209 128 L C 1.808 178.608 176.870 -0.116 0.000 1.071 128 L CA 1.546 56.288 54.840 -0.162 0.000 0.746 128 L CB -0.684 41.168 42.059 -0.346 0.000 0.890 128 L HN 0.666 nan 8.230 nan 0.000 0.432 129 L N -0.226 120.925 121.223 -0.120 0.000 2.129 129 L HA -0.272 4.067 4.340 -0.002 0.000 0.212 129 L C 2.325 179.011 176.870 -0.308 0.000 1.087 129 L CA 1.754 56.425 54.840 -0.281 0.000 0.757 129 L CB -0.562 41.367 42.059 -0.217 0.000 0.896 129 L HN 0.489 nan 8.230 nan 0.000 0.434 130 N N -0.827 117.549 118.700 -0.540 0.000 2.171 130 N HA -0.244 4.494 4.740 -0.002 0.000 0.184 130 N C 1.832 177.236 175.510 -0.176 0.000 1.021 130 N CA 0.991 53.749 53.050 -0.486 0.000 0.854 130 N CB -0.199 37.784 38.487 -0.840 0.000 0.994 130 N HN 0.348 nan 8.380 nan 0.000 0.426 131 Y N 0.976 121.154 120.300 -0.205 0.000 2.128 131 Y HA -0.149 4.399 4.550 -0.002 0.000 0.284 131 Y C 1.718 177.538 175.900 -0.133 0.000 1.154 131 Y CA 1.612 59.637 58.100 -0.125 0.000 1.149 131 Y CB -0.493 37.959 38.460 -0.013 0.000 0.976 131 Y HN 0.066 nan 8.280 nan 0.000 0.505 132 L N 0.206 121.256 121.223 -0.290 0.000 2.127 132 L HA -0.190 4.148 4.340 -0.002 0.000 0.211 132 L C 2.631 179.461 176.870 -0.066 0.000 1.089 132 L CA 1.824 56.489 54.840 -0.291 0.000 0.757 132 L CB -0.430 41.502 42.059 -0.212 0.000 0.899 132 L HN 0.181 nan 8.230 nan 0.000 0.434 133 R N -1.659 118.797 120.500 -0.073 0.000 2.334 133 R HA 0.037 4.376 4.340 -0.002 0.000 0.216 133 R C 1.015 177.388 176.300 0.122 0.000 0.905 133 R CA 0.750 56.863 56.100 0.022 0.000 1.064 133 R CB 0.373 30.640 30.300 -0.055 0.000 1.046 133 R HN 0.155 nan 8.270 nan 0.000 0.508 134 T N -1.358 113.196 114.554 -0.001 0.000 3.154 134 T HA 0.057 4.406 4.350 -0.002 0.000 0.258 134 T C -0.245 174.177 174.700 -0.464 0.000 0.899 134 T CA 0.097 62.155 62.100 -0.070 0.000 0.908 134 T CB 0.423 69.260 68.868 -0.053 0.000 1.260 134 T HN 0.244 nan 8.240 nan 0.000 0.521 135 N N 2.094 120.376 118.700 -0.696 0.000 2.815 135 N HA -0.139 4.600 4.740 -0.002 0.000 0.248 135 N C -0.109 175.255 175.510 -0.244 0.000 1.110 135 N CA 0.710 53.298 53.050 -0.771 0.000 0.699 135 N CB -1.456 36.240 38.487 -1.318 0.000 1.040 135 N HN 0.601 nan 8.380 nan 0.000 0.555 136 S N -0.574 115.079 115.700 -0.079 0.000 2.592 136 S HA 0.614 5.083 4.470 -0.002 0.000 0.271 136 S C -2.205 172.472 174.600 0.128 0.000 1.326 136 S CA -0.940 57.277 58.200 0.028 0.000 1.024 136 S CB 1.347 64.573 63.200 0.042 0.000 0.921 136 S HN 0.221 nan 8.310 nan 0.000 0.527 137 P HA 0.267 nan 4.420 nan 0.000 0.269 137 P C -0.298 177.069 177.300 0.111 0.000 1.209 137 P CA -0.051 63.112 63.100 0.105 0.000 0.776 137 P CB 0.879 32.619 31.700 0.066 0.000 0.876 138 S N 0.893 116.637 115.700 0.074 0.000 2.656 138 S HA 0.296 4.765 4.470 -0.002 0.000 0.265 138 S C 0.466 174.986 174.600 -0.133 0.000 1.132 138 S CA -0.685 57.520 58.200 0.007 0.000 0.819 138 S CB -0.058 63.201 63.200 0.098 0.000 1.119 138 S HN 0.352 nan 8.310 nan 0.000 0.476 139 I N -1.110 119.243 120.570 -0.362 0.000 3.749 139 I HA 0.501 4.670 4.170 -0.002 0.000 0.314 139 I C -0.773 175.042 176.117 -0.503 0.000 1.267 139 I CA -0.242 60.806 61.300 -0.418 0.000 1.169 139 I CB -0.513 37.197 38.000 -0.483 0.000 1.009 139 I HN 0.281 nan 8.210 nan 0.000 0.444 140 F N 1.344 121.100 119.950 -0.324 0.000 2.404 140 F HA 0.583 5.109 4.527 -0.002 0.000 0.339 140 F C 0.121 175.759 175.800 -0.269 0.000 1.105 140 F CA -0.883 56.866 58.000 -0.419 0.000 1.087 140 F CB 1.593 40.048 39.000 -0.908 0.000 1.143 140 F HN -0.305 nan 8.300 nan 0.000 0.491 141 V N 2.757 122.756 119.914 0.142 0.000 2.444 141 V HA 0.409 4.528 4.120 -0.002 0.000 0.294 141 V C -0.249 175.988 176.094 0.237 0.000 1.022 141 V CA -0.661 61.736 62.300 0.162 0.000 0.850 141 V CB 1.685 33.572 31.823 0.107 0.000 0.992 141 V HN 0.797 nan 8.190 nan 0.000 0.426 142 S N 2.927 118.760 115.700 0.222 0.000 2.654 142 S HA 0.855 5.324 4.470 -0.002 0.000 0.283 142 S C 0.188 174.835 174.600 0.079 0.000 1.180 142 S CA -0.429 57.885 58.200 0.189 0.000 1.021 142 S CB 1.833 65.138 63.200 0.175 0.000 1.018 142 S HN 1.025 nan 8.310 nan 0.000 0.532 143 T N -1.355 113.259 114.554 0.102 0.000 2.812 143 T HA 0.723 5.072 4.350 -0.002 0.000 0.294 143 T C -0.816 173.904 174.700 0.033 0.000 1.159 143 T CA -0.719 61.415 62.100 0.055 0.000 1.008 143 T CB 1.723 70.669 68.868 0.131 0.000 1.289 143 T HN 0.450 nan 8.240 nan 0.000 0.514 144 T N 0.248 114.828 114.554 0.045 0.000 2.916 144 T HA 0.525 4.873 4.350 -0.002 0.000 0.298 144 T C -0.542 174.199 174.700 0.069 0.000 1.031 144 T CA -0.770 61.358 62.100 0.047 0.000 0.993 144 T CB 1.062 69.989 68.868 0.098 0.000 1.045 144 T HN 0.734 nan 8.240 nan 0.000 0.454 145 R N 1.836 122.378 120.500 0.069 0.000 2.734 145 R HA 0.531 4.870 4.340 -0.002 0.000 0.266 145 R C 0.477 176.818 176.300 0.069 0.000 1.044 145 R CA -0.430 55.713 56.100 0.073 0.000 1.128 145 R CB 0.303 30.650 30.300 0.079 0.000 1.010 145 R HN 0.655 nan 8.270 nan 0.000 0.461 146 A N 2.655 125.514 122.820 0.065 0.000 2.351 146 A HA 0.325 4.644 4.320 -0.002 0.000 0.257 146 A C -0.079 177.490 177.584 -0.025 0.000 1.087 146 A CA -0.398 51.638 52.037 -0.001 0.000 0.798 146 A CB 0.510 19.535 19.000 0.041 0.000 1.033 146 A HN 0.682 nan 8.150 nan 0.000 0.488 147 R N -0.194 120.146 120.500 -0.266 0.000 2.711 147 R HA 0.665 5.004 4.340 -0.002 0.000 0.284 147 R C -1.774 174.218 176.300 -0.513 0.000 0.968 147 R CA -0.358 55.635 56.100 -0.178 0.000 0.924 147 R CB 1.583 31.846 30.300 -0.062 0.000 1.162 147 R HN 0.744 nan 8.270 nan 0.000 0.465 148 Y N -0.128 120.199 120.300 0.044 0.000 2.597 148 Y HA 0.216 4.765 4.550 -0.001 0.000 0.340 148 Y C -0.152 175.769 175.900 0.035 0.000 1.097 148 Y CA -1.265 56.860 58.100 0.042 0.000 1.037 148 Y CB 1.597 40.080 38.460 0.039 0.000 1.305 148 Y HN 0.703 nan 8.280 nan 0.000 0.463 149 N N 0.005 118.820 118.700 0.192 0.000 2.448 149 N HA 0.128 4.867 4.740 -0.002 0.000 0.274 149 N C 0.638 176.213 175.510 0.107 0.000 1.239 149 N CA -0.423 52.697 53.050 0.117 0.000 0.982 149 N CB 0.325 38.862 38.487 0.083 0.000 1.199 149 N HN 0.663 nan 8.380 nan 0.000 0.576 150 N N 0.301 119.044 118.700 0.071 0.000 2.182 150 N HA -0.233 4.505 4.740 -0.002 0.000 0.192 150 N C 0.821 176.361 175.510 0.049 0.000 1.007 150 N CA 1.586 54.667 53.050 0.053 0.000 0.873 150 N CB -0.663 37.847 38.487 0.040 0.000 0.998 150 N HN 0.680 nan 8.380 nan 0.000 0.436 151 L N -1.340 119.918 121.223 0.058 0.000 2.611 151 L HA 0.362 4.701 4.340 -0.002 0.000 0.229 151 L C 1.573 178.478 176.870 0.057 0.000 1.137 151 L CA 0.301 55.171 54.840 0.050 0.000 0.901 151 L CB -0.246 41.842 42.059 0.049 0.000 1.098 151 L HN 0.374 nan 8.230 nan 0.000 0.456 152 G N 0.245 109.091 108.800 0.076 0.000 2.199 152 G HA2 -0.274 3.684 3.960 -0.002 0.000 0.254 152 G HA3 -0.274 3.684 3.960 -0.002 0.000 0.254 152 G C 0.264 175.278 174.900 0.191 0.000 0.982 152 G CA -0.240 44.894 45.100 0.056 0.000 0.632 152 G HN 0.217 nan 8.290 nan 0.000 0.529 153 L N 1.122 122.476 121.223 0.218 0.000 2.426 153 L HA 0.406 4.745 4.340 -0.002 0.000 0.271 153 L C 0.991 178.060 176.870 0.330 0.000 1.169 153 L CA -0.310 54.682 54.840 0.253 0.000 0.836 153 L CB 0.887 43.029 42.059 0.139 0.000 1.112 153 L HN 0.401 nan 8.230 nan 0.000 0.465 154 E N 3.614 123.964 120.200 0.251 0.000 2.360 154 E HA 0.371 4.720 4.350 -0.002 0.000 0.269 154 E C -1.010 175.513 176.600 -0.128 0.000 1.022 154 E CA -0.217 56.083 56.400 -0.166 0.000 0.887 154 E CB 0.733 30.365 29.700 -0.113 0.000 0.990 154 E HN 0.368 nan 8.360 nan 0.000 0.426 155 I N 3.067 123.499 120.570 -0.230 0.000 2.730 155 I HA 0.160 4.329 4.170 -0.002 0.000 0.298 155 I C -0.110 175.959 176.117 -0.081 0.000 1.089 155 I CA -1.186 60.060 61.300 -0.091 0.000 1.041 155 I CB 2.247 40.217 38.000 -0.049 0.000 1.235 155 I HN 0.518 nan 8.210 nan 0.000 0.423 156 T N 5.816 120.360 114.554 -0.017 0.000 2.718 156 T HA 0.009 4.358 4.350 -0.002 0.000 0.265 156 T C -2.316 172.401 174.700 0.029 0.000 1.014 156 T CA -0.350 61.760 62.100 0.017 0.000 1.172 156 T CB -0.509 68.363 68.868 0.008 0.000 1.007 156 T HN 0.301 nan 8.240 nan 0.000 0.500 157 P HA 0.203 nan 4.420 nan 0.000 0.279 157 P C -0.376 177.046 177.300 0.204 0.000 1.276 157 P CA -1.095 62.099 63.100 0.157 0.000 0.801 157 P CB 0.483 32.317 31.700 0.223 0.000 1.127 158 W N 1.137 122.484 121.300 0.077 0.000 2.409 158 W HA 0.114 4.773 4.660 -0.002 0.000 0.338 158 W C -0.778 175.749 176.519 0.014 0.000 1.273 158 W CA 1.623 58.982 57.345 0.024 0.000 1.299 158 W CB -0.155 29.324 29.460 0.031 0.000 1.192 158 W HN 0.168 nan 8.180 nan 0.000 0.565 159 T N 8.727 122.695 114.554 -0.976 0.000 2.991 159 T HA 0.253 4.602 4.350 -0.002 0.000 0.303 159 T C -2.590 171.162 174.700 -1.579 0.000 1.015 159 T CA -1.243 60.157 62.100 -1.167 0.000 1.007 159 T CB 1.821 70.254 68.868 -0.724 0.000 1.034 159 T HN 0.181 nan 8.240 nan 0.000 0.446 160 P HA 0.111 nan 4.420 nan 0.000 0.268 160 P C 0.721 177.524 177.300 -0.828 0.000 1.204 160 P CA -0.127 62.292 63.100 -1.136 0.000 0.768 160 P CB 0.609 31.855 31.700 -0.758 0.000 0.842 161 H N 1.645 120.408 119.070 -0.513 0.000 2.457 161 H HA -0.099 4.455 4.556 -0.002 0.000 0.297 161 H C 1.805 176.971 175.328 -0.271 0.000 1.092 161 H CA 2.149 57.986 56.048 -0.351 0.000 1.309 161 H CB -0.746 28.859 29.762 -0.260 0.000 1.382 161 H HN 0.507 nan 8.280 nan 0.000 0.535 162 S N 0.535 116.145 115.700 -0.151 0.000 2.461 162 S HA 0.107 4.576 4.470 -0.002 0.000 0.228 162 S C 2.423 176.930 174.600 -0.154 0.000 1.005 162 S CA 0.452 58.596 58.200 -0.093 0.000 0.942 162 S CB -0.171 63.022 63.200 -0.012 0.000 0.776 162 S HN 0.452 nan 8.310 nan 0.000 0.514 163 A N 3.564 126.198 122.820 -0.309 0.000 1.929 163 A HA -0.294 4.024 4.320 -0.002 0.000 0.221 163 A C 1.959 179.395 177.584 -0.248 0.000 1.211 163 A CA 2.291 54.099 52.037 -0.382 0.000 0.657 163 A CB -1.301 17.267 19.000 -0.720 0.000 0.827 163 A HN 0.555 nan 8.150 nan 0.000 0.462 164 N N 0.612 119.189 118.700 -0.205 0.000 2.609 164 N HA -0.035 4.704 4.740 -0.002 0.000 0.190 164 N C -0.493 174.983 175.510 -0.057 0.000 1.157 164 N CA 0.512 53.489 53.050 -0.122 0.000 0.918 164 N CB -0.221 38.206 38.487 -0.101 0.000 0.978 164 N HN 0.573 nan 8.380 nan 0.000 0.448 165 N N 1.141 119.810 118.700 -0.051 0.000 2.372 165 N HA 0.213 4.951 4.740 -0.002 0.000 0.285 165 N C -0.120 175.385 175.510 -0.008 0.000 1.008 165 N CA -0.378 52.662 53.050 -0.018 0.000 0.880 165 N CB 1.500 39.982 38.487 -0.008 0.000 1.239 165 N HN 0.080 nan 8.380 nan 0.000 0.484 166 N N -0.087 118.605 118.700 -0.014 0.000 1.673 166 N HA -0.269 4.469 4.740 -0.002 0.000 0.120 166 N C -0.849 174.609 175.510 -0.087 0.000 0.843 166 N CA 0.884 53.906 53.050 -0.047 0.000 0.859 166 N CB -0.550 37.928 38.487 -0.015 0.000 0.883 166 N HN 0.525 nan 8.380 nan 0.000 0.676 167 I N 1.077 121.585 120.570 -0.104 0.000 2.291 167 I HA 0.434 4.602 4.170 -0.002 0.000 0.290 167 I C -0.299 175.819 176.117 0.001 0.000 1.050 167 I CA 0.072 61.281 61.300 -0.152 0.000 1.245 167 I CB 0.418 38.308 38.000 -0.183 0.000 1.405 167 I HN 0.278 nan 8.210 nan 0.000 0.478 168 I N 5.953 126.531 120.570 0.013 0.000 2.646 168 I HA 0.478 4.646 4.170 -0.002 0.000 0.299 168 I C -1.317 174.875 176.117 0.126 0.000 1.036 168 I CA -0.725 60.685 61.300 0.183 0.000 1.074 168 I CB 1.965 40.108 38.000 0.239 0.000 1.258 168 I HN 0.341 nan 8.210 nan 0.000 0.430 169 Y N 5.386 125.900 120.300 0.358 0.000 2.429 169 Y HA 0.516 5.065 4.550 -0.002 0.000 0.342 169 Y C -0.098 175.900 175.900 0.163 0.000 1.004 169 Y CA -0.750 57.470 58.100 0.199 0.000 1.075 169 Y CB 1.469 39.924 38.460 -0.009 0.000 1.214 169 Y HN 0.333 nan 8.280 nan 0.000 0.455 170 R N 3.859 124.400 120.500 0.069 0.000 2.312 170 R HA 0.267 4.606 4.340 -0.002 0.000 0.310 170 R C -1.869 174.224 176.300 -0.345 0.000 1.064 170 R CA -0.604 55.293 56.100 -0.338 0.000 0.983 170 R CB 0.080 29.990 30.300 -0.650 0.000 1.139 170 R HN 0.756 nan 8.270 nan 0.000 0.536 171 Y N 1.566 121.798 120.300 -0.113 0.000 2.377 171 Y HA 0.097 4.646 4.550 -0.002 0.000 0.330 171 Y C 0.944 176.773 175.900 -0.120 0.000 1.108 171 Y CA 0.286 58.387 58.100 0.002 0.000 1.308 171 Y CB 0.839 39.439 38.460 0.233 0.000 1.216 171 Y HN 0.404 nan 8.280 nan 0.000 0.518 172 E N 3.961 124.175 120.200 0.023 0.000 2.249 172 E HA 0.520 4.869 4.350 -0.002 0.000 0.280 172 E C -1.316 175.272 176.600 -0.020 0.000 1.016 172 E CA -0.352 55.991 56.400 -0.095 0.000 0.830 172 E CB 0.701 30.326 29.700 -0.124 0.000 1.081 172 E HN 0.596 nan 8.360 nan 0.000 0.395 173 I N 4.000 124.452 120.570 -0.197 0.000 2.619 173 I HA 0.313 4.481 4.170 -0.002 0.000 0.292 173 I C -1.320 174.626 176.117 -0.285 0.000 1.100 173 I CA -0.693 60.568 61.300 -0.065 0.000 1.043 173 I CB 1.528 39.520 38.000 -0.013 0.000 1.239 173 I HN 0.469 nan 8.210 nan 0.000 0.420 174 F N 4.958 125.105 119.950 0.329 0.000 2.577 174 F HA 0.749 5.275 4.527 -0.002 0.000 0.344 174 F C 0.140 176.104 175.800 0.274 0.000 1.145 174 F CA -0.434 57.760 58.000 0.323 0.000 0.996 174 F CB 1.822 41.097 39.000 0.458 0.000 1.248 174 F HN 0.417 nan 8.300 nan 0.000 0.447 175 A N 4.285 127.211 122.820 0.177 0.000 2.498 175 A HA 0.937 5.256 4.320 -0.002 0.000 0.298 175 A C -2.949 174.543 177.584 -0.152 0.000 1.075 175 A CA -1.921 49.963 52.037 -0.254 0.000 0.714 175 A CB 2.010 20.679 19.000 -0.552 0.000 1.299 175 A HN 0.298 nan 8.150 nan 0.000 0.407 176 P HA 0.460 nan 4.420 nan 0.000 0.275 176 P C 0.783 178.096 177.300 0.021 0.000 1.228 176 P CA 1.515 64.540 63.100 -0.124 0.000 0.786 176 P CB 1.137 32.736 31.700 -0.168 0.000 0.927 177 G N 1.165 109.998 108.800 0.055 0.000 2.498 177 G HA2 0.272 4.230 3.960 -0.002 0.000 0.245 177 G HA3 0.272 4.230 3.960 -0.002 0.000 0.245 177 G C 0.059 174.942 174.900 -0.027 0.000 1.204 177 G CA 0.440 45.580 45.100 0.067 0.000 0.933 177 G HN 1.273 nan 8.290 nan 0.000 0.574 178 G N -1.826 106.812 108.800 -0.269 0.000 2.690 178 G HA2 0.340 4.299 3.960 -0.002 0.000 0.686 178 G HA3 0.340 4.299 3.960 -0.002 0.000 0.686 178 G C -0.564 174.142 174.900 -0.322 0.000 1.277 178 G CA 0.055 44.626 45.100 -0.881 0.000 0.799 178 G HN 1.633 nan 8.290 nan 0.000 0.613 179 I N 0.758 121.155 120.570 -0.289 0.000 2.404 179 I HA 0.293 4.462 4.170 -0.002 0.000 0.293 179 I C -0.326 175.732 176.117 -0.098 0.000 0.992 179 I CA -0.746 60.491 61.300 -0.105 0.000 1.149 179 I CB 1.915 39.914 38.000 -0.002 0.000 1.315 179 I HN 0.510 nan 8.210 nan 0.000 0.446 180 D N 6.607 126.981 120.400 -0.043 0.000 2.359 180 D HA 0.126 4.765 4.640 -0.002 0.000 0.250 180 D C 1.107 177.417 176.300 0.017 0.000 1.264 180 D CA -0.082 53.931 54.000 0.022 0.000 0.911 180 D CB 0.792 41.678 40.800 0.144 0.000 1.056 180 D HN 0.277 nan 8.370 nan 0.000 0.499 181 I N 3.741 124.328 120.570 0.029 0.000 2.163 181 I HA -0.257 3.912 4.170 -0.002 0.000 0.243 181 I C 2.044 178.224 176.117 0.105 0.000 1.085 181 I CA 0.986 62.350 61.300 0.105 0.000 1.347 181 I CB -1.164 36.885 38.000 0.081 0.000 1.044 181 I HN 0.493 nan 8.210 nan 0.000 0.408 182 N N 1.622 120.350 118.700 0.046 0.000 2.069 182 N HA -0.155 4.584 4.740 -0.002 0.000 0.191 182 N C 1.637 177.140 175.510 -0.013 0.000 1.031 182 N CA 2.105 55.172 53.050 0.028 0.000 0.852 182 N CB -0.148 38.345 38.487 0.011 0.000 1.018 182 N HN 0.299 nan 8.380 nan 0.000 0.423 183 A N -1.348 121.445 122.820 -0.045 0.000 2.208 183 A HA 0.175 4.494 4.320 -0.002 0.000 0.209 183 A C 1.969 179.448 177.584 -0.175 0.000 1.161 183 A CA 0.833 52.790 52.037 -0.134 0.000 0.782 183 A CB -0.165 18.695 19.000 -0.232 0.000 0.816 183 A HN 0.342 nan 8.150 nan 0.000 0.477 184 S N -1.207 114.349 115.700 -0.239 0.000 2.503 184 S HA 0.403 4.872 4.470 -0.002 0.000 0.215 184 S C -0.145 173.920 174.600 -0.893 0.000 1.003 184 S CA 0.103 57.944 58.200 -0.598 0.000 0.910 184 S CB -0.031 62.667 63.200 -0.838 0.000 0.790 184 S HN 0.421 nan 8.310 nan 0.000 0.514 185 F N 0.705 120.628 119.950 -0.044 0.000 2.664 185 F HA 0.558 5.084 4.527 -0.002 0.000 0.329 185 F C -0.167 175.614 175.800 -0.033 0.000 1.090 185 F CA -1.376 56.594 58.000 -0.050 0.000 0.978 185 F CB 1.436 40.401 39.000 -0.058 0.000 1.378 185 F HN -0.338 nan 8.300 nan 0.000 0.495 186 S N 1.436 117.283 115.700 0.245 0.000 2.383 186 S HA 0.538 5.007 4.470 -0.002 0.000 0.196 186 S C -0.831 173.838 174.600 0.115 0.000 1.364 186 S CA -0.618 57.666 58.200 0.140 0.000 1.212 186 S CB 0.852 64.130 63.200 0.130 0.000 1.171 186 S HN 0.598 nan 8.310 nan 0.000 0.456 187 R N 2.253 122.797 120.500 0.074 0.000 2.585 187 R HA 0.275 4.614 4.340 -0.002 0.000 0.288 187 R C -1.153 175.153 176.300 0.010 0.000 1.194 187 R CA -0.409 55.708 56.100 0.029 0.000 1.006 187 R CB 0.888 31.167 30.300 -0.035 0.000 1.229 187 R HN 0.497 nan 8.270 nan 0.000 0.412 194 N N 1.465 120.073 118.700 -0.154 0.000 2.527 194 N HA 0.076 4.814 4.740 -0.002 0.000 0.236 194 N C 0.968 176.396 175.510 -0.137 0.000 0.999 194 N CA -0.361 52.548 53.050 -0.235 0.000 0.935 194 N CB 0.964 39.023 38.487 -0.713 0.000 1.132 194 N HN 0.478 nan 8.380 nan 0.000 0.511 195 E N 1.045 121.220 120.200 -0.042 0.000 2.515 195 E HA -0.115 4.233 4.350 -0.002 0.000 0.201 195 E C -0.629 175.965 176.600 -0.010 0.000 1.071 195 E CA 0.732 57.126 56.400 -0.011 0.000 0.880 195 E CB 0.174 29.884 29.700 0.017 0.000 0.828 195 E HN 0.389 nan 8.360 nan 0.000 0.540 196 D N 1.002 121.379 120.400 -0.038 0.000 2.513 196 D HA 0.062 4.701 4.640 -0.002 0.000 0.222 196 D C -0.390 175.876 176.300 -0.056 0.000 1.210 196 D CA -0.130 53.859 54.000 -0.018 0.000 0.825 196 D CB 0.403 41.219 40.800 0.028 0.000 1.037 196 D HN 0.254 nan 8.370 nan 0.000 0.506 197 E N 1.084 121.213 120.200 -0.117 0.000 2.392 197 E HA 0.117 4.465 4.350 -0.002 0.000 0.264 197 E C -0.492 176.081 176.600 -0.045 0.000 1.024 197 E CA 0.138 56.461 56.400 -0.129 0.000 0.903 197 E CB 0.558 30.154 29.700 -0.174 0.000 0.963 197 E HN -0.103 nan 8.360 nan 0.000 0.432 198 I N 4.460 125.021 120.570 -0.015 0.000 2.468 198 I HA 0.158 4.327 4.170 -0.002 0.000 0.284 198 I C -0.543 175.545 176.117 -0.049 0.000 1.038 198 I CA -0.497 60.780 61.300 -0.038 0.000 1.083 198 I CB 1.211 39.214 38.000 0.005 0.000 1.223 198 I HN 0.470 nan 8.210 nan 0.000 0.443 199 T N 6.317 120.805 114.554 -0.110 0.000 2.837 199 T HA 0.578 4.926 4.350 -0.002 0.000 0.285 199 T C -0.392 174.201 174.700 -0.178 0.000 0.984 199 T CA -0.143 61.955 62.100 -0.003 0.000 1.049 199 T CB 0.815 69.704 68.868 0.035 0.000 0.947 199 T HN 0.119 nan 8.240 nan 0.000 0.472 200 F N 4.091 124.109 119.950 0.113 0.000 2.375 200 F HA 0.365 4.891 4.527 -0.002 0.000 0.361 200 F C -2.194 173.653 175.800 0.078 0.000 1.117 200 F CA -2.683 55.359 58.000 0.070 0.000 1.037 200 F CB 1.535 40.534 39.000 -0.002 0.000 1.192 200 F HN 0.290 nan 8.300 nan 0.000 0.452 201 P HA 0.288 nan 4.420 nan 0.000 0.282 201 P C 0.714 177.884 177.300 -0.218 0.000 1.274 201 P CA 0.339 63.390 63.100 -0.082 0.000 0.770 201 P CB 1.133 32.776 31.700 -0.095 0.000 0.867 202 G N 2.197 110.839 108.800 -0.265 0.000 2.231 202 G HA2 0.127 4.086 3.960 -0.002 0.000 0.206 202 G HA3 0.127 4.086 3.960 -0.002 0.000 0.206 202 G C 0.470 175.273 174.900 -0.161 0.000 0.996 202 G CA 0.275 45.196 45.100 -0.299 0.000 0.645 202 G HN 0.938 nan 8.290 nan 0.000 0.498 203 G N -0.684 108.092 108.800 -0.039 0.000 2.632 203 G HA2 0.169 4.127 3.960 -0.002 0.000 0.224 203 G HA3 0.169 4.127 3.960 -0.002 0.000 0.224 203 G C -0.433 174.490 174.900 0.039 0.000 1.341 203 G CA 0.063 45.189 45.100 0.045 0.000 0.880 203 G HN 1.427 nan 8.290 nan 0.000 0.566 204 I N 0.338 120.955 120.570 0.079 0.000 2.571 204 I HA 0.408 4.577 4.170 -0.002 0.000 0.289 204 I C 0.566 176.784 176.117 0.169 0.000 1.115 204 I CA -0.789 60.560 61.300 0.081 0.000 1.045 204 I CB 2.049 40.054 38.000 0.009 0.000 1.238 204 I HN 0.588 nan 8.210 nan 0.000 0.424 205 R N 6.233 126.894 120.500 0.268 0.000 2.694 205 R HA 0.187 4.526 4.340 -0.002 0.000 0.268 205 R C -1.481 174.834 176.300 0.026 0.000 1.061 205 R CA -1.290 54.877 56.100 0.112 0.000 1.133 205 R CB 0.415 30.756 30.300 0.068 0.000 1.020 205 R HN 0.365 nan 8.270 nan 0.000 0.475 206 P HA -0.165 nan 4.420 nan 0.000 0.230 206 P C 0.559 177.775 177.300 -0.140 0.000 1.158 206 P CA 1.169 64.196 63.100 -0.122 0.000 0.769 206 P CB 0.110 31.727 31.700 -0.138 0.000 0.807 207 E N -0.172 119.836 120.200 -0.320 0.000 2.511 207 E HA -0.084 4.265 4.350 -0.002 0.000 0.196 207 E C 0.609 176.858 176.600 -0.586 0.000 1.066 207 E CA 0.495 56.623 56.400 -0.453 0.000 0.871 207 E CB -0.697 28.680 29.700 -0.539 0.000 0.863 207 E HN 0.256 nan 8.360 nan 0.000 0.520 208 F N 0.861 120.837 119.950 0.043 0.000 2.721 208 F HA 0.350 4.876 4.527 -0.002 0.000 0.301 208 F C 0.988 177.034 175.800 0.411 0.000 1.096 208 F CA -0.412 57.692 58.000 0.173 0.000 1.308 208 F CB 0.149 39.189 39.000 0.065 0.000 1.086 208 F HN -0.154 nan 8.300 nan 0.000 0.587 209 I N 1.286 122.105 120.570 0.415 0.000 2.337 209 I HA 0.193 4.362 4.170 -0.002 0.000 0.291 209 I C 1.519 177.785 176.117 0.249 0.000 1.046 209 I CA 0.005 61.513 61.300 0.346 0.000 1.324 209 I CB 1.290 39.454 38.000 0.274 0.000 1.409 209 I HN 0.067 nan 8.210 nan 0.000 0.494 210 R N 4.398 124.917 120.500 0.031 0.000 2.156 210 R HA 0.119 4.457 4.340 -0.002 0.000 0.207 210 R C 0.239 176.424 176.300 -0.191 0.000 1.040 210 R CA 0.717 56.535 56.100 -0.470 0.000 1.013 210 R CB 0.462 30.123 30.300 -1.065 0.000 0.931 210 R HN 0.786 nan 8.270 nan 0.000 0.465 211 S N -1.720 114.007 115.700 0.046 0.000 2.587 211 S HA 0.337 4.806 4.470 -0.002 0.000 0.269 211 S C -1.000 173.771 174.600 0.285 0.000 1.154 211 S CA -0.761 57.566 58.200 0.211 0.000 0.824 211 S CB 1.995 65.260 63.200 0.108 0.000 1.118 211 S HN -0.012 nan 8.310 nan 0.000 0.462 212 T N 1.354 116.077 114.554 0.282 0.000 2.952 212 T HA 0.589 4.937 4.350 -0.002 0.000 0.305 212 T C -1.828 172.990 174.700 0.196 0.000 1.064 212 T CA -0.412 61.639 62.100 -0.080 0.000 1.008 212 T CB 0.586 68.893 68.868 -0.935 0.000 1.078 212 T HN 0.505 nan 8.240 nan 0.000 0.459 213 Y N 2.557 122.789 120.300 -0.113 0.000 2.359 213 Y HA 0.364 4.913 4.550 -0.002 0.000 0.330 213 Y C 0.880 176.696 175.900 -0.139 0.000 1.143 213 Y CA -1.287 56.701 58.100 -0.187 0.000 1.318 213 Y CB 0.549 38.798 38.460 -0.351 0.000 1.234 213 Y HN 0.635 nan 8.280 nan 0.000 0.522 214 E N 3.523 123.720 120.200 -0.006 0.000 2.109 214 E HA 0.290 4.639 4.350 -0.002 0.000 0.278 214 E C -1.741 174.734 176.600 -0.209 0.000 0.954 214 E CA -0.439 55.868 56.400 -0.155 0.000 0.779 214 E CB 0.546 30.314 29.700 0.114 0.000 1.093 214 E HN 0.525 nan 8.360 nan 0.000 0.401 215 Y N 2.276 122.539 120.300 -0.062 0.000 2.361 215 Y HA 0.301 4.849 4.550 -0.002 0.000 0.332 215 Y C -0.396 175.607 175.900 0.171 0.000 1.101 215 Y CA -0.693 57.451 58.100 0.074 0.000 1.137 215 Y CB 1.405 39.928 38.460 0.105 0.000 1.207 215 Y HN 0.559 nan 8.280 nan 0.000 0.463 216 H N 3.006 122.148 119.070 0.120 0.000 2.792 216 H HA 0.307 4.862 4.556 -0.002 0.000 0.298 216 H C -0.553 174.824 175.328 0.082 0.000 1.042 216 H CA -1.343 54.747 56.048 0.071 0.000 1.300 216 H CB 0.171 29.956 29.762 0.037 0.000 1.431 216 H HN 0.624 nan 8.280 nan 0.000 0.496 217 N N 3.042 121.814 118.700 0.119 0.000 2.738 217 N HA -0.238 4.501 4.740 -0.002 0.000 0.249 217 N C 0.972 176.531 175.510 0.082 0.000 1.047 217 N CA 1.046 54.140 53.050 0.072 0.000 0.707 217 N CB -0.778 37.746 38.487 0.062 0.000 0.937 217 N HN 1.097 nan 8.380 nan 0.000 0.545 218 G N -0.593 108.266 108.800 0.099 0.000 2.284 218 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.230 218 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.230 218 G C -0.263 174.795 174.900 0.262 0.000 1.021 218 G CA 0.378 45.527 45.100 0.082 0.000 0.619 218 G HN 0.454 nan 8.290 nan 0.000 0.510 219 E N 1.189 121.543 120.200 0.256 0.000 2.200 219 E HA 0.506 4.855 4.350 -0.002 0.000 0.283 219 E C 0.516 177.206 176.600 0.149 0.000 1.015 219 E CA -0.635 55.882 56.400 0.194 0.000 0.819 219 E CB 1.486 31.241 29.700 0.092 0.000 1.081 219 E HN 0.506 nan 8.360 nan 0.000 0.397 220 I N 2.494 123.044 120.570 -0.033 0.000 2.618 220 I HA -0.111 4.058 4.170 -0.002 0.000 0.284 220 I C 1.652 177.619 176.117 -0.249 0.000 1.146 220 I CA 0.043 61.117 61.300 -0.377 0.000 1.425 220 I CB 0.543 38.202 38.000 -0.568 0.000 1.383 220 I HN 0.410 nan 8.210 nan 0.000 0.562 221 V N 3.666 123.423 119.914 -0.261 0.000 3.523 221 V HA 0.356 4.475 4.120 -0.002 0.000 0.255 221 V C 0.610 176.540 176.094 -0.273 0.000 1.226 221 V CA 0.233 62.379 62.300 -0.258 0.000 1.092 221 V CB 0.112 31.719 31.823 -0.360 0.000 0.817 221 V HN 0.888 nan 8.190 nan 0.000 0.458 222 R N -0.054 120.267 120.500 -0.298 0.000 2.579 222 R HA 0.535 4.873 4.340 -0.002 0.000 0.260 222 R C -2.005 174.095 176.300 -0.333 0.000 1.103 222 R CA -0.725 55.162 56.100 -0.354 0.000 0.942 222 R CB 1.840 31.877 30.300 -0.438 0.000 1.251 222 R HN 0.367 nan 8.270 nan 0.000 0.450 223 I N 3.575 123.943 120.570 -0.336 0.000 2.321 223 I HA 0.310 4.479 4.170 -0.002 0.000 0.291 223 I C -0.672 175.363 176.117 -0.136 0.000 0.998 223 I CA -0.446 60.761 61.300 -0.156 0.000 1.227 223 I CB 0.995 38.906 38.000 -0.148 0.000 1.368 223 I HN 0.443 nan 8.210 nan 0.000 0.466 224 W N 7.114 128.456 121.300 0.070 0.000 2.361 224 W HA 0.529 5.187 4.660 -0.002 0.000 0.309 224 W C -0.221 176.417 176.519 0.198 0.000 1.122 224 W CA -0.378 57.053 57.345 0.144 0.000 1.208 224 W CB 1.070 30.647 29.460 0.195 0.000 1.246 224 W HN 0.181 nan 8.180 nan 0.000 0.490 225 I N 3.989 124.773 120.570 0.358 0.000 2.359 225 I HA 0.108 4.276 4.170 -0.002 0.000 0.294 225 I C -0.026 176.256 176.117 0.276 0.000 0.987 225 I CA -0.985 60.434 61.300 0.197 0.000 1.225 225 I CB 1.307 39.240 38.000 -0.112 0.000 1.366 225 I HN 0.340 nan 8.210 nan 0.000 0.466 226 N N 8.749 127.385 118.700 -0.107 0.000 2.415 226 N HA 0.224 4.963 4.740 -0.002 0.000 0.246 226 N C -1.943 173.616 175.510 0.083 0.000 1.078 226 N CA -2.163 50.684 53.050 -0.338 0.000 0.942 226 N CB 1.384 39.291 38.487 -0.966 0.000 1.140 226 N HN 0.232 nan 8.380 nan 0.000 0.501 227 P HA -0.069 nan 4.420 nan 0.000 0.218 227 P C 0.478 177.829 177.300 0.084 0.000 1.148 227 P CA 1.046 64.242 63.100 0.160 0.000 0.822 227 P CB 0.257 32.025 31.700 0.115 0.000 0.784 228 N N -1.560 117.185 118.700 0.074 0.000 2.370 228 N HA -0.006 4.732 4.740 -0.002 0.000 0.198 228 N C -0.059 175.440 175.510 -0.018 0.000 1.156 228 N CA -0.378 52.682 53.050 0.016 0.000 0.839 228 N CB -0.738 37.767 38.487 0.031 0.000 0.989 228 N HN -0.103 nan 8.380 nan 0.000 0.468 229 F N 0.381 120.266 119.950 -0.107 0.000 2.553 229 F HA 0.054 4.579 4.527 -0.002 0.000 0.356 229 F C 1.554 177.299 175.800 -0.091 0.000 1.142 229 F CA -0.373 57.568 58.000 -0.099 0.000 1.322 229 F CB 0.406 39.386 39.000 -0.033 0.000 1.126 229 F HN -0.004 nan 8.300 nan 0.000 0.599 230 I N 2.950 122.836 120.570 -1.140 0.000 2.264 230 I HA -0.246 3.923 4.170 -0.002 0.000 0.248 230 I C 0.799 176.611 176.117 -0.510 0.000 1.111 230 I CA 1.389 62.227 61.300 -0.769 0.000 1.382 230 I CB -0.865 36.716 38.000 -0.699 0.000 1.060 230 I HN 0.606 nan 8.210 nan 0.000 0.418 231 N N 1.186 119.559 118.700 -0.545 0.000 2.816 231 N HA 0.224 4.962 4.740 -0.002 0.000 0.236 231 N C -2.020 173.566 175.510 0.127 0.000 1.076 231 N CA -2.236 50.753 53.050 -0.101 0.000 0.902 231 N CB 0.876 39.349 38.487 -0.023 0.000 1.149 231 N HN 0.093 nan 8.380 nan 0.000 0.506 232 P HA -0.104 nan 4.420 nan 0.000 0.229 232 P C 0.659 178.050 177.300 0.152 0.000 1.150 232 P CA 0.906 64.076 63.100 0.118 0.000 0.765 232 P CB 0.193 31.912 31.700 0.031 0.000 0.783 233 S N -1.994 113.783 115.700 0.128 0.000 2.540 233 S HA 0.032 4.501 4.470 -0.002 0.000 0.218 233 S C 1.387 176.069 174.600 0.138 0.000 0.977 233 S CA 0.414 58.694 58.200 0.132 0.000 0.918 233 S CB -1.109 62.133 63.200 0.069 0.000 0.806 233 S HN 0.211 nan 8.310 nan 0.000 0.496 234 T N -0.407 114.233 114.554 0.143 0.000 3.105 234 T HA 0.391 4.740 4.350 -0.002 0.000 0.253 234 T C 1.375 176.141 174.700 0.111 0.000 1.047 234 T CA -0.277 61.882 62.100 0.099 0.000 0.944 234 T CB -0.497 68.395 68.868 0.041 0.000 1.016 234 T HN 0.325 nan 8.240 nan 0.000 0.544 235 L N 0.913 122.244 121.223 0.181 0.000 2.201 235 L HA 0.071 4.409 4.340 -0.002 0.000 0.212 235 L C 1.984 178.966 176.870 0.186 0.000 1.105 235 L CA 0.775 55.733 54.840 0.198 0.000 0.775 235 L CB -0.441 41.822 42.059 0.340 0.000 0.913 235 L HN 0.319 nan 8.230 nan 0.000 0.440 236 N N -0.304 118.514 118.700 0.195 0.000 2.314 236 N HA -0.043 4.696 4.740 -0.002 0.000 0.200 236 N C 0.414 175.998 175.510 0.122 0.000 1.135 236 N CA 0.414 53.556 53.050 0.153 0.000 0.835 236 N CB 0.249 38.812 38.487 0.126 0.000 0.989 236 N HN 0.323 nan 8.380 nan 0.000 0.478 237 D N -0.002 120.460 120.400 0.104 0.000 2.360 237 D HA 0.043 4.682 4.640 -0.002 0.000 0.210 237 D C 0.441 176.788 176.300 0.078 0.000 1.047 237 D CA 0.117 54.164 54.000 0.080 0.000 0.854 237 D CB 0.957 41.786 40.800 0.049 0.000 0.936 237 D HN -0.081 nan 8.370 nan 0.000 0.514 238 V N 2.175 122.133 119.914 0.073 0.000 2.485 238 V HA 0.088 4.207 4.120 -0.002 0.000 0.287 238 V C 0.726 176.875 176.094 0.091 0.000 1.022 238 V CA 0.100 62.452 62.300 0.088 0.000 1.067 238 V CB 0.789 32.654 31.823 0.070 0.000 0.967 238 V HN 0.156 nan 8.190 nan 0.000 0.479 239 S N 3.920 119.697 115.700 0.128 0.000 2.638 239 S HA 1.004 5.473 4.470 -0.002 0.000 0.302 239 S C -0.128 174.568 174.600 0.159 0.000 1.096 239 S CA -0.050 58.215 58.200 0.109 0.000 0.953 239 S CB 2.459 65.722 63.200 0.105 0.000 1.107 239 S HN 1.102 nan 8.310 nan 0.000 0.503 240 G N -0.127 108.706 108.800 0.054 0.000 2.664 240 G HA2 0.687 4.646 3.960 -0.002 0.000 0.303 240 G HA3 0.687 4.646 3.960 -0.002 0.000 0.303 240 G C -3.547 171.314 174.900 -0.065 0.000 1.243 240 G CA -1.060 44.016 45.100 -0.040 0.000 0.826 240 G HN 0.632 nan 8.290 nan 0.000 0.498 241 P HA 0.342 nan 4.420 nan 0.000 0.277 241 P C 0.092 177.344 177.300 -0.080 0.000 1.271 241 P CA -0.309 62.743 63.100 -0.080 0.000 0.795 241 P CB 1.040 32.687 31.700 -0.088 0.000 1.101 242 S N -0.331 115.339 115.700 -0.050 0.000 2.632 242 S HA 0.240 4.709 4.470 -0.002 0.000 0.271 242 S C 0.557 175.126 174.600 -0.052 0.000 1.260 242 S CA -0.089 58.085 58.200 -0.042 0.000 1.010 242 S CB -0.504 62.686 63.200 -0.018 0.000 0.965 242 S HN 0.635 nan 8.310 nan 0.000 0.534 243 N N -0.556 118.116 118.700 -0.047 0.000 2.741 243 N HA -0.142 4.596 4.740 -0.002 0.000 0.251 243 N C -1.178 174.282 175.510 -0.083 0.000 1.112 243 N CA 0.866 53.885 53.050 -0.051 0.000 0.750 243 N CB -1.277 37.188 38.487 -0.037 0.000 1.119 243 N HN 0.724 nan 8.380 nan 0.000 0.561 244 I N 0.946 121.449 120.570 -0.112 0.000 2.410 244 I HA 0.186 4.355 4.170 -0.002 0.000 0.286 244 I C 0.284 176.300 176.117 -0.168 0.000 1.009 244 I CA -0.771 60.432 61.300 -0.162 0.000 1.111 244 I CB 1.671 39.537 38.000 -0.223 0.000 1.262 244 I HN 0.148 nan 8.210 nan 0.000 0.443 245 S N 6.393 121.989 115.700 -0.174 0.000 2.505 245 S HA 0.312 4.781 4.470 -0.002 0.000 0.276 245 S C -0.180 174.281 174.600 -0.232 0.000 1.274 245 S CA -0.578 57.521 58.200 -0.168 0.000 1.053 245 S CB 0.499 63.610 63.200 -0.148 0.000 0.919 245 S HN 0.501 nan 8.310 nan 0.000 0.490 246 K N 2.347 122.626 120.400 -0.202 0.000 2.205 246 K HA 0.505 4.824 4.320 -0.002 0.000 0.279 246 K C -0.328 176.096 176.600 -0.293 0.000 1.027 246 K CA -0.667 55.469 56.287 -0.251 0.000 0.932 246 K CB 1.396 33.766 32.500 -0.216 0.000 1.032 246 K HN 0.675 nan 8.250 nan 0.000 0.466 247 V N 0.548 120.234 119.914 -0.380 0.000 2.709 247 V HA 0.527 4.646 4.120 -0.002 0.000 0.308 247 V C -1.087 174.920 176.094 -0.146 0.000 1.062 247 V CA -1.053 61.057 62.300 -0.317 0.000 0.901 247 V CB 1.002 32.513 31.823 -0.520 0.000 1.003 247 V HN 0.492 nan 8.190 nan 0.000 0.425 248 F N 4.036 124.104 119.950 0.198 0.000 2.410 248 F HA 0.502 5.027 4.527 -0.002 0.000 0.348 248 F C 0.107 176.215 175.800 0.514 0.000 1.106 248 F CA 0.003 58.200 58.000 0.328 0.000 1.163 248 F CB 1.099 40.233 39.000 0.224 0.000 1.129 248 F HN 0.848 nan 8.300 nan 0.000 0.516 249 W N 5.774 127.455 121.300 0.635 0.000 2.315 249 W HA 0.405 5.063 4.660 -0.002 0.000 0.316 249 W C -0.551 176.233 176.519 0.441 0.000 1.211 249 W CA -0.407 57.288 57.345 0.583 0.000 1.201 249 W CB 0.330 30.137 29.460 0.577 0.000 1.184 249 W HN 0.659 nan 8.180 nan 0.000 0.544 250 H N 1.074 119.853 119.070 -0.484 0.000 2.737 250 H HA 0.461 5.016 4.556 -0.002 0.000 0.358 250 H C -0.736 173.538 175.328 -1.758 0.000 1.187 250 H CA -1.310 54.217 56.048 -0.868 0.000 1.221 250 H CB 0.729 30.326 29.762 -0.274 0.000 1.799 250 H HN 0.513 nan 8.280 nan 0.000 0.568 251 E N 0.125 119.742 120.200 -0.972 0.000 2.415 251 E HA 0.034 4.383 4.350 -0.002 0.000 0.263 251 E C -0.753 175.801 176.600 -0.076 0.000 0.995 251 E CA -0.112 56.007 56.400 -0.468 0.000 0.915 251 E CB -0.185 29.467 29.700 -0.079 0.000 0.951 251 E HN 0.842 nan 8.360 nan 0.000 0.449 252 N N 0.494 119.204 118.700 0.017 0.000 2.754 252 N HA -0.235 4.504 4.740 -0.002 0.000 0.248 252 N C -0.695 174.876 175.510 0.102 0.000 1.093 252 N CA 0.444 53.550 53.050 0.094 0.000 0.699 252 N CB -1.357 37.190 38.487 0.099 0.000 1.016 252 N HN 0.648 nan 8.380 nan 0.000 0.552 253 H N 0.666 119.640 119.070 -0.160 0.000 2.972 253 H HA 0.047 4.601 4.556 -0.002 0.000 0.343 253 H C 1.406 176.784 175.328 0.084 0.000 1.054 253 H CA 1.401 57.331 56.048 -0.197 0.000 1.412 253 H CB 1.198 30.794 29.762 -0.278 0.000 1.385 253 H HN 0.244 nan 8.280 nan 0.000 0.600 254 S N 2.655 118.465 115.700 0.184 0.000 2.365 254 S HA -0.192 4.277 4.470 -0.002 0.000 0.225 254 S C 1.278 176.100 174.600 0.371 0.000 1.039 254 S CA 1.850 60.197 58.200 0.244 0.000 1.033 254 S CB 0.117 63.416 63.200 0.164 0.000 0.887 254 S HN 0.657 nan 8.310 nan 0.000 0.447 255 E N -0.417 120.163 120.200 0.633 0.000 2.465 255 E HA 0.291 4.640 4.350 -0.002 0.000 0.195 255 E C 1.416 178.365 176.600 0.582 0.000 1.028 255 E CA 0.176 56.887 56.400 0.519 0.000 0.899 255 E CB 0.047 30.003 29.700 0.427 0.000 1.032 255 E HN 0.487 nan 8.360 nan 0.000 0.468 256 G N 1.384 110.424 108.800 0.399 0.000 2.448 256 G HA2 -0.187 3.771 3.960 -0.002 0.000 0.218 256 G HA3 -0.187 3.771 3.960 -0.002 0.000 0.218 256 G C 0.841 175.721 174.900 -0.034 0.000 1.135 256 G CA 0.309 45.413 45.100 0.005 0.000 0.784 256 G HN 0.284 nan 8.290 nan 0.000 0.543 257 N N 0.831 119.595 118.700 0.107 0.000 2.818 257 N HA 0.113 4.852 4.740 -0.002 0.000 0.301 257 N C -1.105 174.503 175.510 0.162 0.000 1.821 257 N CA -0.672 52.424 53.050 0.076 0.000 0.930 257 N CB -0.143 38.376 38.487 0.053 0.000 1.263 257 N HN -0.148 nan 8.380 nan 0.000 0.487 258 N N 1.889 120.750 118.700 0.269 0.000 2.497 258 N HA 0.383 5.122 4.740 -0.002 0.000 0.271 258 N C 0.273 175.971 175.510 0.313 0.000 1.142 258 N CA 0.121 53.354 53.050 0.305 0.000 0.965 258 N CB 1.161 39.894 38.487 0.408 0.000 1.077 258 N HN 0.630 nan 8.380 nan 0.000 0.462 259 M N -1.368 118.351 119.600 0.198 0.000 3.012 259 M HA 0.473 4.952 4.480 -0.002 0.000 0.272 259 M C -1.711 174.651 176.300 0.104 0.000 1.187 259 M CA -1.044 54.361 55.300 0.177 0.000 0.813 259 M CB 1.418 34.119 32.600 0.168 0.000 1.626 259 M HN -0.027 nan 8.290 nan 0.000 0.507 260 D N 1.411 121.870 120.400 0.097 0.000 2.433 260 D HA 0.513 5.152 4.640 -0.002 0.000 0.255 260 D C -0.089 176.252 176.300 0.067 0.000 1.226 260 D CA -0.265 53.777 54.000 0.069 0.000 1.015 260 D CB 0.797 41.639 40.800 0.070 0.000 1.091 260 D HN 0.622 nan 8.370 nan 0.000 0.527 272 Q N -1.046 118.847 119.800 0.155 0.000 2.248 272 Q HA -0.184 4.155 4.340 -0.002 0.000 0.208 272 Q C -0.320 175.811 176.000 0.218 0.000 0.984 272 Q CA 1.932 57.845 55.803 0.183 0.000 0.875 272 Q CB -0.369 28.462 28.738 0.155 0.000 0.910 272 Q HN 0.619 nan 8.270 nan 0.000 0.433 273 D N -0.295 120.228 120.400 0.205 0.000 2.340 273 D HA 0.028 4.667 4.640 -0.002 0.000 0.220 273 D C 1.003 177.442 176.300 0.231 0.000 1.039 273 D CA -0.135 53.984 54.000 0.197 0.000 0.866 273 D CB -0.177 40.729 40.800 0.176 0.000 0.913 273 D HN 0.203 nan 8.370 nan 0.000 0.523 274 F N 2.000 122.017 119.950 0.112 0.000 2.063 274 F HA -0.250 4.276 4.527 -0.002 0.000 0.298 274 F C 1.627 177.558 175.800 0.220 0.000 1.109 274 F CA 1.597 59.684 58.000 0.144 0.000 1.212 274 F CB -0.020 39.055 39.000 0.125 0.000 0.973 274 F HN -0.080 nan 8.300 nan 0.000 0.480 275 D N -0.636 119.849 120.400 0.141 0.000 2.348 275 D HA -0.069 4.569 4.640 -0.002 0.000 0.216 275 D C 1.869 178.293 176.300 0.207 0.000 0.970 275 D CA 0.638 54.662 54.000 0.040 0.000 0.889 275 D CB 0.014 40.906 40.800 0.152 0.000 0.912 275 D HN 0.319 nan 8.370 nan 0.000 0.524 276 M N -0.082 119.667 119.600 0.248 0.000 2.404 276 M HA 0.088 4.566 4.480 -0.002 0.000 0.271 276 M C 0.001 176.367 176.300 0.110 0.000 1.128 276 M CA -0.328 55.123 55.300 0.251 0.000 0.982 276 M CB -0.026 32.679 32.600 0.176 0.000 1.445 276 M HN -0.179 nan 8.290 nan 0.000 0.495 277 F N 0.846 120.781 119.950 -0.024 0.000 2.412 277 F HA 0.445 4.971 4.527 -0.002 0.000 0.348 277 F C 1.299 177.091 175.800 -0.014 0.000 1.102 277 F CA -0.815 57.119 58.000 -0.110 0.000 1.196 277 F CB 0.960 39.904 39.000 -0.093 0.000 1.144 277 F HN 0.170 nan 8.300 nan 0.000 0.541 278 A N 6.521 129.189 122.820 -0.253 0.000 1.883 278 A HA -0.083 4.235 4.320 -0.002 0.000 0.217 278 A C -0.920 176.613 177.584 -0.084 0.000 1.186 278 A CA 1.630 53.544 52.037 -0.205 0.000 0.624 278 A CB -2.043 16.803 19.000 -0.256 0.000 0.822 278 A HN 0.654 nan 8.150 nan 0.000 0.444 279 P HA 0.055 nan 4.420 nan 0.000 0.245 279 P C 0.099 177.328 177.300 -0.117 0.000 1.212 279 P CA 0.426 63.366 63.100 -0.266 0.000 0.774 279 P CB 0.009 31.463 31.700 -0.409 0.000 0.999 280 N N -0.462 118.145 118.700 -0.156 0.000 2.270 280 N HA 0.169 4.908 4.740 -0.002 0.000 0.198 280 N C 0.968 176.153 175.510 -0.541 0.000 1.117 280 N CA 0.381 53.336 53.050 -0.159 0.000 0.845 280 N CB 0.771 39.058 38.487 -0.332 0.000 0.980 280 N HN 0.167 nan 8.380 nan 0.000 0.486 281 G N -0.055 108.377 108.800 -0.614 0.000 2.815 281 G HA2 0.613 4.572 3.960 -0.002 0.000 0.305 281 G HA3 0.613 4.572 3.960 -0.002 0.000 0.305 281 G C -1.459 172.880 174.900 -0.936 0.000 1.277 281 G CA -0.545 43.641 45.100 -1.523 0.000 0.795 281 G HN 0.183 nan 8.290 nan 0.000 0.528 282 E N -2.199 117.222 120.200 -1.299 0.000 2.310 282 E HA 0.273 4.622 4.350 -0.002 0.000 0.264 282 E C -1.696 174.590 176.600 -0.524 0.000 1.309 282 E CA -0.983 55.107 56.400 -0.516 0.000 0.900 282 E CB 0.611 30.199 29.700 -0.187 0.000 1.496 282 E HN 0.404 nan 8.360 nan 0.000 0.433 283 I N 2.394 122.878 120.570 -0.142 0.000 2.287 283 I HA 0.222 4.391 4.170 -0.002 0.000 0.290 283 I C -1.495 174.563 176.117 -0.098 0.000 1.069 283 I CA -1.951 59.298 61.300 -0.086 0.000 1.237 283 I CB 0.974 38.996 38.000 0.036 0.000 1.418 283 I HN 0.492 nan 8.210 nan 0.000 0.481 284 P HA -0.090 nan 4.420 nan 0.000 0.217 284 P C -0.358 176.906 177.300 -0.060 0.000 1.150 284 P CA 1.434 64.469 63.100 -0.108 0.000 0.832 284 P CB 0.067 31.688 31.700 -0.132 0.000 0.787 285 N N -2.322 116.351 118.700 -0.045 0.000 3.526 285 N HA 0.167 4.905 4.740 -0.002 0.000 0.328 285 N C -0.766 174.738 175.510 -0.010 0.000 1.601 285 N CA -0.709 52.327 53.050 -0.023 0.000 0.834 285 N CB -0.495 37.979 38.487 -0.021 0.000 1.983 285 N HN -0.372 nan 8.380 nan 0.000 0.579 286 N N -0.944 117.755 118.700 -0.002 0.000 2.553 286 N HA 0.330 5.069 4.740 -0.002 0.000 0.298 286 N C -1.341 174.173 175.510 0.007 0.000 1.596 286 N CA -0.349 52.704 53.050 0.004 0.000 0.910 286 N CB -0.374 38.120 38.487 0.011 0.000 1.336 286 N HN 0.384 nan 8.380 nan 0.000 0.497 287 N N 0.256 118.959 118.700 0.004 0.000 2.530 287 N HA 0.249 4.988 4.740 -0.002 0.000 0.277 287 N C 0.026 175.546 175.510 0.017 0.000 1.168 287 N CA -0.167 52.889 53.050 0.011 0.000 0.979 287 N CB 1.327 39.819 38.487 0.009 0.000 1.141 287 N HN 0.153 nan 8.380 nan 0.000 0.459 288 L N 2.521 123.759 121.223 0.024 0.000 2.385 288 L HA 0.144 4.483 4.340 -0.002 0.000 0.281 288 L C -0.055 176.840 176.870 0.042 0.000 1.106 288 L CA -0.698 54.161 54.840 0.033 0.000 0.856 288 L CB 0.079 42.160 42.059 0.038 0.000 1.186 288 L HN 0.235 nan 8.230 nan 0.000 0.453 289 L N 4.182 125.435 121.223 0.049 0.000 2.483 289 L HA 0.022 4.361 4.340 -0.002 0.000 0.276 289 L C 0.826 177.740 176.870 0.074 0.000 1.213 289 L CA 0.590 55.476 54.840 0.076 0.000 0.843 289 L CB -0.106 42.012 42.059 0.099 0.000 1.107 289 L HN 0.507 nan 8.230 nan 0.000 0.487 290 N N 2.855 121.597 118.700 0.071 0.000 2.442 290 N HA 0.138 4.877 4.740 -0.002 0.000 0.265 290 N C -0.811 174.734 175.510 0.058 0.000 1.138 290 N CA 0.322 53.403 53.050 0.050 0.000 0.956 290 N CB 0.058 38.561 38.487 0.026 0.000 1.067 290 N HN 0.696 nan 8.380 nan 0.000 0.474 291 N N 1.434 120.171 118.700 0.062 0.000 2.774 291 N HA 0.281 5.020 4.740 -0.002 0.000 0.264 291 N C -0.933 174.615 175.510 0.063 0.000 1.415 291 N CA -0.815 52.281 53.050 0.077 0.000 0.815 291 N CB 1.052 39.609 38.487 0.117 0.000 1.514 291 N HN 0.495 nan 8.380 nan 0.000 0.523 292 N N -0.831 117.911 118.700 0.069 0.000 2.727 292 N HA -0.173 4.566 4.740 -0.002 0.000 0.249 292 N C -0.793 174.739 175.510 0.038 0.000 1.048 292 N CA 0.210 53.295 53.050 0.058 0.000 0.714 292 N CB -0.760 37.766 38.487 0.065 0.000 0.959 292 N HN 0.194 nan 8.380 nan 0.000 0.544 293 S N -0.574 115.140 115.700 0.023 0.000 2.622 293 S HA 0.339 4.807 4.470 -0.002 0.000 0.236 293 S C 0.924 175.526 174.600 0.002 0.000 0.956 293 S CA -0.186 58.021 58.200 0.011 0.000 0.971 293 S CB 0.399 63.599 63.200 0.001 0.000 0.782 293 S HN 0.318 nan 8.310 nan 0.000 0.468 294 L N -0.431 120.794 121.223 0.003 0.000 3.485 294 L HA 0.366 4.705 4.340 -0.002 0.000 0.175 294 L C -0.429 176.439 176.870 -0.004 0.000 1.195 294 L CA -0.371 54.460 54.840 -0.016 0.000 0.874 294 L CB -0.079 41.956 42.059 -0.040 0.000 1.680 294 L HN 0.063 nan 8.230 nan 0.000 0.599 295 N N 0.258 118.964 118.700 0.010 0.000 2.746 295 N HA -0.130 4.608 4.740 -0.002 0.000 0.250 295 N C -0.658 174.869 175.510 0.028 0.000 1.055 295 N CA 0.795 53.867 53.050 0.038 0.000 0.699 295 N CB -0.798 37.720 38.487 0.052 0.000 0.919 295 N HN 0.316 nan 8.380 nan 0.000 0.548 296 V N -3.644 116.255 119.914 -0.025 0.000 3.184 296 V HA 0.762 4.880 4.120 -0.002 0.000 0.308 296 V C 0.182 176.249 176.094 -0.045 0.000 1.243 296 V CA -1.011 61.244 62.300 -0.076 0.000 1.058 296 V CB 1.814 33.415 31.823 -0.370 0.000 1.183 296 V HN -0.015 nan 8.190 nan 0.000 0.471 297 I N 1.946 122.510 120.570 -0.010 0.000 2.382 297 I HA 0.440 4.609 4.170 -0.002 0.000 0.285 297 I C -0.027 176.177 176.117 0.145 0.000 1.007 297 I CA -0.642 60.627 61.300 -0.052 0.000 1.142 297 I CB 0.988 38.735 38.000 -0.421 0.000 1.289 297 I HN 0.709 nan 8.210 nan 0.000 0.453 298 Q N 4.145 124.076 119.800 0.219 0.000 2.386 298 Q HA 0.077 4.415 4.340 -0.002 0.000 0.282 298 Q C -0.114 176.184 176.000 0.496 0.000 1.050 298 Q CA 0.132 56.120 55.803 0.310 0.000 0.918 298 Q CB 0.591 29.487 28.738 0.262 0.000 1.266 298 Q HN 0.391 nan 8.270 nan 0.000 0.423 299 N N 0.966 119.921 118.700 0.426 0.000 2.497 299 N HA 0.204 4.943 4.740 -0.002 0.000 0.268 299 N C -0.362 175.418 175.510 0.449 0.000 1.171 299 N CA 0.155 53.471 53.050 0.444 0.000 0.948 299 N CB 1.059 39.750 38.487 0.340 0.000 1.069 299 N HN 0.374 nan 8.380 nan 0.000 0.460 300 S N -0.363 115.568 115.700 0.385 0.000 2.683 300 S HA 0.071 4.540 4.470 -0.002 0.000 0.264 300 S C -1.554 173.022 174.600 -0.040 0.000 1.066 300 S CA -0.823 57.409 58.200 0.054 0.000 0.846 300 S CB 0.922 63.899 63.200 -0.372 0.000 1.114 300 S HN 0.628 nan 8.310 nan 0.000 0.476 301 E N 0.735 120.811 120.200 -0.207 0.000 2.223 301 E HA 0.422 4.771 4.350 -0.002 0.000 0.282 301 E C -1.570 174.853 176.600 -0.295 0.000 1.046 301 E CA 0.136 56.481 56.400 -0.091 0.000 0.857 301 E CB 0.416 30.100 29.700 -0.027 0.000 1.055 301 E HN 0.457 nan 8.360 nan 0.000 0.409 302 Y N 1.570 121.922 120.300 0.086 0.000 2.602 302 Y HA 0.279 4.828 4.550 -0.002 0.000 0.342 302 Y C -0.003 175.994 175.900 0.160 0.000 1.029 302 Y CA -0.932 57.214 58.100 0.077 0.000 1.080 302 Y CB 1.870 40.369 38.460 0.066 0.000 1.284 302 Y HN 0.376 nan 8.280 nan 0.000 0.485 303 Q N 1.746 121.740 119.800 0.324 0.000 2.322 303 Q HA 0.489 4.828 4.340 -0.002 0.000 0.265 303 Q C -1.404 174.748 176.000 0.254 0.000 0.985 303 Q CA -0.781 55.204 55.803 0.305 0.000 0.849 303 Q CB 2.074 30.946 28.738 0.223 0.000 1.274 303 Q HN 0.491 nan 8.270 nan 0.000 0.449 304 I N 3.139 123.819 120.570 0.183 0.000 2.281 304 I HA 0.150 4.319 4.170 -0.002 0.000 0.293 304 I C -0.338 175.927 176.117 0.246 0.000 1.085 304 I CA -0.141 61.216 61.300 0.096 0.000 1.257 304 I CB 0.029 37.844 38.000 -0.307 0.000 1.430 304 I HN 0.194 nan 8.210 nan 0.000 0.489 305 K N 4.856 125.443 120.400 0.311 0.000 2.183 305 K HA 0.294 4.613 4.320 -0.002 0.000 0.274 305 K C -0.044 176.773 176.600 0.362 0.000 1.009 305 K CA -0.737 55.738 56.287 0.313 0.000 0.888 305 K CB 1.090 33.720 32.500 0.218 0.000 1.078 305 K HN 0.470 nan 8.250 nan 0.000 0.459 306 N N 2.608 121.441 118.700 0.223 0.000 2.518 306 N HA -0.053 4.686 4.740 -0.002 0.000 0.266 306 N C 0.547 175.979 175.510 -0.129 0.000 1.196 306 N CA 0.179 53.109 53.050 -0.201 0.000 0.947 306 N CB 0.890 39.073 38.487 -0.506 0.000 1.098 306 N HN 0.604 nan 8.380 nan 0.000 0.450 307 K N 3.233 123.496 120.400 -0.229 0.000 2.148 307 K HA -0.084 4.235 4.320 -0.002 0.000 0.204 307 K C 1.390 177.873 176.600 -0.195 0.000 1.050 307 K CA 0.998 57.189 56.287 -0.160 0.000 0.942 307 K CB 0.189 32.418 32.500 -0.452 0.000 0.724 307 K HN 0.507 nan 8.250 nan 0.000 0.446 308 K N 0.025 120.272 120.400 -0.255 0.000 2.097 308 K HA -0.117 4.202 4.320 -0.002 0.000 0.205 308 K C 0.003 176.533 176.600 -0.116 0.000 1.050 308 K CA 1.078 57.251 56.287 -0.189 0.000 0.938 308 K CB 0.094 32.470 32.500 -0.206 0.000 0.718 308 K HN 0.066 nan 8.250 nan 0.000 0.442 309 D N -0.510 119.832 120.400 -0.098 0.000 2.328 309 D HA 0.140 4.779 4.640 -0.002 0.000 0.243 309 D C 0.019 176.322 176.300 0.005 0.000 1.324 309 D CA -0.172 53.805 54.000 -0.039 0.000 0.966 309 D CB 0.562 41.340 40.800 -0.037 0.000 1.324 309 D HN -0.125 nan 8.370 nan 0.000 0.549 310 R N 1.209 121.729 120.500 0.032 0.000 2.303 310 R HA -0.078 4.261 4.340 -0.002 0.000 0.225 310 R C 0.987 177.340 176.300 0.088 0.000 1.114 310 R CA 0.601 56.747 56.100 0.077 0.000 1.007 310 R CB 0.036 30.387 30.300 0.083 0.000 0.861 310 R HN 0.267 nan 8.270 nan 0.000 0.471 311 N N 1.086 119.828 118.700 0.071 0.000 2.396 311 N HA -0.031 4.708 4.740 -0.002 0.000 0.180 311 N C 0.668 176.255 175.510 0.129 0.000 1.028 311 N CA 0.713 53.819 53.050 0.093 0.000 0.893 311 N CB 0.059 38.576 38.487 0.049 0.000 0.967 311 N HN 0.329 nan 8.380 nan 0.000 0.440 312 I N -1.165 119.473 120.570 0.114 0.000 2.359 312 I HA 0.487 4.655 4.170 -0.002 0.000 0.294 312 I C -0.119 176.122 176.117 0.207 0.000 0.987 312 I CA -1.110 60.283 61.300 0.156 0.000 1.225 312 I CB 1.688 39.748 38.000 0.101 0.000 1.366 312 I HN -0.265 nan 8.210 nan 0.000 0.466 313 V N 3.630 123.705 119.914 0.268 0.000 2.914 313 V HA 0.576 4.695 4.120 -0.002 0.000 0.314 313 V C 0.086 176.369 176.094 0.315 0.000 1.084 313 V CA -0.985 61.493 62.300 0.296 0.000 0.963 313 V CB 1.455 33.450 31.823 0.288 0.000 1.025 313 V HN 0.648 nan 8.190 nan 0.000 0.432 314 V N 2.867 122.944 119.914 0.272 0.000 2.493 314 V HA 0.301 4.420 4.120 -0.002 0.000 0.292 314 V C 0.715 177.086 176.094 0.462 0.000 1.016 314 V CA 1.236 63.646 62.300 0.182 0.000 1.097 314 V CB 0.519 32.173 31.823 -0.283 0.000 0.947 314 V HN 1.148 nan 8.190 nan 0.000 0.479 315 T N 5.476 120.271 114.554 0.402 0.000 2.900 315 T HA 0.554 4.903 4.350 -0.002 0.000 0.295 315 T C -0.975 173.924 174.700 0.333 0.000 1.044 315 T CA -0.602 61.716 62.100 0.364 0.000 0.995 315 T CB 1.298 70.304 68.868 0.230 0.000 1.072 315 T HN 0.464 nan 8.240 nan 0.000 0.473 316 L N 4.706 126.031 121.223 0.170 0.000 2.270 316 L HA 0.405 4.744 4.340 -0.002 0.000 0.286 316 L C 1.257 178.082 176.870 -0.074 0.000 1.059 316 L CA 0.023 54.905 54.840 0.070 0.000 0.839 316 L CB 0.637 42.649 42.059 -0.079 0.000 1.221 316 L HN 0.798 nan 8.230 nan 0.000 0.431 317 D N 1.965 122.331 120.400 -0.056 0.000 2.204 317 D HA -0.189 4.450 4.640 -0.002 0.000 0.189 317 D C 0.369 176.552 176.300 -0.194 0.000 1.006 317 D CA 1.903 55.836 54.000 -0.112 0.000 0.855 317 D CB 0.397 41.156 40.800 -0.069 0.000 0.946 317 D HN 0.497 nan 8.370 nan 0.000 0.448 318 S N -2.366 113.167 115.700 -0.279 0.000 2.618 318 S HA 0.320 4.789 4.470 -0.002 0.000 0.277 318 S C -0.380 173.966 174.600 -0.422 0.000 1.138 318 S CA -0.035 57.954 58.200 -0.352 0.000 0.844 318 S CB 1.491 64.451 63.200 -0.400 0.000 1.127 318 S HN 0.218 nan 8.310 nan 0.000 0.474 319 D N 0.368 120.602 120.400 -0.275 0.000 2.312 319 D HA 0.013 4.651 4.640 -0.002 0.000 0.211 319 D C 0.694 176.914 176.300 -0.135 0.000 0.964 319 D CA 1.003 54.901 54.000 -0.170 0.000 0.877 319 D CB -0.476 40.280 40.800 -0.072 0.000 0.924 319 D HN 0.533 nan 8.370 nan 0.000 0.515 320 Y N -0.548 119.712 120.300 -0.067 0.000 2.408 320 Y HA 0.675 5.224 4.550 -0.002 0.000 0.324 320 Y C 1.010 176.852 175.900 -0.098 0.000 1.302 320 Y CA -1.868 56.192 58.100 -0.067 0.000 1.384 320 Y CB 0.216 38.639 38.460 -0.061 0.000 1.367 320 Y HN -0.107 nan 8.280 nan 0.000 0.525 321 G N -0.442 108.436 108.800 0.129 0.000 2.406 321 G HA2 0.398 4.357 3.960 -0.002 0.000 0.251 321 G HA3 0.398 4.357 3.960 -0.002 0.000 0.251 321 G C 0.838 175.625 174.900 -0.190 0.000 1.271 321 G CA -0.218 44.841 45.100 -0.069 0.000 0.859 321 G HN 1.847 nan 8.290 nan 0.000 0.540 322 G N 0.562 108.925 108.800 -0.728 0.000 2.162 322 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.260 322 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.260 322 G C 0.770 175.502 174.900 -0.279 0.000 0.976 322 G CA 0.655 45.251 45.100 -0.840 0.000 0.655 322 G HN 1.286 nan 8.290 nan 0.000 0.533 323 S N 1.997 117.519 115.700 -0.296 0.000 2.549 323 S HA 0.541 5.010 4.470 -0.002 0.000 0.279 323 S C -1.288 173.226 174.600 -0.142 0.000 1.321 323 S CA -0.610 57.412 58.200 -0.297 0.000 1.054 323 S CB 1.092 63.812 63.200 -0.800 0.000 0.899 323 S HN 0.343 nan 8.310 nan 0.000 0.497 324 P HA 0.154 nan 4.420 nan 0.000 0.274 324 P C -1.069 176.257 177.300 0.043 0.000 1.246 324 P CA -0.393 62.727 63.100 0.034 0.000 0.795 324 P CB 0.466 32.202 31.700 0.061 0.000 1.006 325 V N 2.246 122.208 119.914 0.080 0.000 2.328 325 V HA 0.241 4.360 4.120 -0.002 0.000 0.278 325 V C 0.591 176.738 176.094 0.087 0.000 1.021 325 V CA -0.152 62.208 62.300 0.100 0.000 0.838 325 V CB 0.497 32.349 31.823 0.050 0.000 0.999 325 V HN 0.532 nan 8.190 nan 0.000 0.447 326 E N 2.305 122.580 120.200 0.125 0.000 2.303 326 E HA 0.667 5.016 4.350 -0.002 0.000 0.254 326 E C -0.400 176.311 176.600 0.185 0.000 0.979 326 E CA -0.758 55.728 56.400 0.143 0.000 0.843 326 E CB 1.790 31.590 29.700 0.167 0.000 1.245 326 E HN 0.680 nan 8.360 nan 0.000 0.413 327 S N 0.132 115.948 115.700 0.193 0.000 2.509 327 S HA 0.596 5.064 4.470 -0.002 0.000 0.297 327 S C -1.111 173.649 174.600 0.267 0.000 1.118 327 S CA -0.572 57.762 58.200 0.223 0.000 1.074 327 S CB 0.712 64.014 63.200 0.170 0.000 1.038 327 S HN 0.571 nan 8.310 nan 0.000 0.498 328 Y N 0.322 120.721 120.300 0.165 0.000 2.558 328 Y HA 0.391 4.940 4.550 -0.002 0.000 0.333 328 Y C -0.368 175.674 175.900 0.236 0.000 1.125 328 Y CA -0.921 57.288 58.100 0.182 0.000 1.039 328 Y CB 1.636 40.203 38.460 0.178 0.000 1.331 328 Y HN 0.918 nan 8.280 nan 0.000 0.456 329 K N 3.120 123.735 120.400 0.357 0.000 2.511 329 K HA -0.063 4.256 4.320 -0.002 0.000 0.280 329 K C -0.265 176.686 176.600 0.585 0.000 1.008 329 K CA 0.073 56.603 56.287 0.406 0.000 1.050 329 K CB 0.266 32.991 32.500 0.375 0.000 0.889 329 K HN 0.633 nan 8.250 nan 0.000 0.484 330 N N 4.066 122.988 118.700 0.370 0.000 2.434 330 N HA -0.038 4.701 4.740 -0.002 0.000 0.268 330 N C -0.707 174.925 175.510 0.203 0.000 1.256 330 N CA 0.458 53.692 53.050 0.307 0.000 0.914 330 N CB 0.006 38.605 38.487 0.186 0.000 1.088 330 N HN 0.511 nan 8.380 nan 0.000 0.478 331 F N 0.811 120.837 119.950 0.126 0.000 2.706 331 F HA 0.291 4.817 4.527 -0.002 0.000 0.313 331 F C 1.701 177.281 175.800 -0.366 0.000 1.096 331 F CA -0.032 57.887 58.000 -0.135 0.000 1.219 331 F CB 0.343 39.217 39.000 -0.211 0.000 1.051 331 F HN 0.641 nan 8.300 nan 0.000 0.568 332 G N 0.940 109.726 108.800 -0.024 0.000 2.221 332 G HA2 -0.325 3.633 3.960 -0.002 0.000 0.265 332 G HA3 -0.325 3.633 3.960 -0.002 0.000 0.265 332 G C -0.006 174.851 174.900 -0.072 0.000 1.041 332 G CA -0.315 44.764 45.100 -0.035 0.000 0.807 332 G HN 0.151 nan 8.290 nan 0.000 0.502 333 F N 0.127 120.108 119.950 0.051 0.000 2.410 333 F HA 0.403 4.928 4.527 -0.002 0.000 0.334 333 F C 1.773 177.527 175.800 -0.076 0.000 1.134 333 F CA -0.678 57.297 58.000 -0.042 0.000 1.227 333 F CB 0.713 39.670 39.000 -0.072 0.000 1.194 333 F HN 0.007 nan 8.300 nan 0.000 0.571 334 E N 1.332 121.596 120.200 0.108 0.000 2.130 334 E HA -0.243 4.106 4.350 -0.002 0.000 0.196 334 E C 1.630 178.148 176.600 -0.136 0.000 0.998 334 E CA 1.540 57.920 56.400 -0.035 0.000 0.806 334 E CB -0.448 29.207 29.700 -0.075 0.000 0.738 334 E HN 0.611 nan 8.360 nan 0.000 0.459 335 N N 0.412 119.023 118.700 -0.148 0.000 2.521 335 N HA -0.122 4.617 4.740 -0.002 0.000 0.188 335 N C 1.062 176.413 175.510 -0.267 0.000 1.146 335 N CA 0.458 53.331 53.050 -0.296 0.000 0.893 335 N CB -0.295 38.038 38.487 -0.258 0.000 0.975 335 N HN 0.217 nan 8.380 nan 0.000 0.451 336 Q N -0.441 119.322 119.800 -0.062 0.000 2.320 336 Q HA 0.204 4.543 4.340 -0.002 0.000 0.201 336 Q C -0.415 175.634 176.000 0.081 0.000 0.910 336 Q CA 0.266 56.127 55.803 0.097 0.000 0.946 336 Q CB 0.390 29.260 28.738 0.220 0.000 1.062 336 Q HN 0.391 nan 8.270 nan 0.000 0.503 337 K N -0.211 120.075 120.400 -0.189 0.000 2.385 337 K HA 0.503 4.822 4.320 -0.002 0.000 0.248 337 K C -1.478 174.863 176.600 -0.432 0.000 0.955 337 K CA -0.595 55.645 56.287 -0.078 0.000 0.816 337 K CB 1.563 34.074 32.500 0.018 0.000 1.250 337 K HN -0.109 nan 8.250 nan 0.000 0.434 338 W N 0.375 121.736 121.300 0.101 0.000 3.022 338 W HA 0.340 4.999 4.660 -0.002 0.000 0.335 338 W C -0.530 176.098 176.519 0.181 0.000 1.133 338 W CA -0.602 56.812 57.345 0.115 0.000 1.219 338 W CB 1.101 30.597 29.460 0.060 0.000 1.409 338 W HN 0.354 nan 8.180 nan 0.000 0.507 339 N N 2.259 121.210 118.700 0.419 0.000 2.437 339 N HA 0.363 5.102 4.740 -0.002 0.000 0.243 339 N C -0.815 174.987 175.510 0.486 0.000 1.041 339 N CA -0.190 53.096 53.050 0.394 0.000 0.940 339 N CB 0.391 39.051 38.487 0.289 0.000 1.133 339 N HN 0.335 nan 8.380 nan 0.000 0.506 340 I N 2.070 122.917 120.570 0.463 0.000 2.396 340 I HA 0.124 4.293 4.170 -0.002 0.000 0.289 340 I C 0.686 177.070 176.117 0.447 0.000 1.056 340 I CA -0.058 61.469 61.300 0.379 0.000 1.365 340 I CB 0.561 38.654 38.000 0.155 0.000 1.407 340 I HN 0.121 nan 8.210 nan 0.000 0.509 341 K N 7.130 127.814 120.400 0.472 0.000 2.323 341 K HA 0.294 4.613 4.320 -0.002 0.000 0.259 341 K C -1.565 175.298 176.600 0.439 0.000 0.947 341 K CA -0.705 55.854 56.287 0.454 0.000 0.819 341 K CB 1.771 34.566 32.500 0.493 0.000 1.109 341 K HN 0.426 nan 8.250 nan 0.000 0.429 342 Y N 2.675 123.120 120.300 0.242 0.000 2.361 342 Y HA 0.265 4.814 4.550 -0.002 0.000 0.332 342 Y C -0.677 175.246 175.900 0.038 0.000 1.101 342 Y CA -0.545 57.581 58.100 0.043 0.000 1.137 342 Y CB 1.282 39.730 38.460 -0.019 0.000 1.207 342 Y HN 0.511 nan 8.280 nan 0.000 0.463 343 D N 3.474 123.428 120.400 -0.744 0.000 2.440 343 D HA 0.221 4.860 4.640 -0.002 0.000 0.239 343 D C 0.092 175.868 176.300 -0.874 0.000 1.084 343 D CA -0.054 53.629 54.000 -0.528 0.000 0.843 343 D CB 2.000 42.717 40.800 -0.139 0.000 1.097 343 D HN 0.767 nan 8.370 nan 0.000 0.531 344 S N 3.393 118.772 115.700 -0.535 0.000 2.363 344 S HA -0.196 4.273 4.470 -0.002 0.000 0.218 344 S C 1.678 176.140 174.600 -0.230 0.000 1.035 344 S CA 1.195 59.208 58.200 -0.311 0.000 1.043 344 S CB 0.004 63.163 63.200 -0.069 0.000 0.986 344 S HN 0.558 nan 8.310 nan 0.000 0.423 345 K N 1.032 121.332 120.400 -0.166 0.000 2.071 345 K HA -0.222 4.097 4.320 -0.002 0.000 0.217 345 K C 2.025 178.528 176.600 -0.161 0.000 1.054 345 K CA 1.914 58.122 56.287 -0.132 0.000 0.937 345 K CB -0.208 32.219 32.500 -0.121 0.000 0.719 345 K HN 0.277 nan 8.250 nan 0.000 0.454 346 K N 0.132 120.389 120.400 -0.240 0.000 2.365 346 K HA -0.013 4.306 4.320 -0.002 0.000 0.197 346 K C 0.360 176.842 176.600 -0.196 0.000 1.042 346 K CA 0.237 56.374 56.287 -0.250 0.000 0.987 346 K CB -0.021 32.246 32.500 -0.389 0.000 0.779 346 K HN 0.133 nan 8.250 nan 0.000 0.484 347 N N 0.682 119.236 118.700 -0.243 0.000 2.705 347 N HA -0.223 4.516 4.740 -0.002 0.000 0.255 347 N C -1.507 173.970 175.510 -0.056 0.000 1.008 347 N CA 0.923 53.929 53.050 -0.073 0.000 0.742 347 N CB -0.983 37.543 38.487 0.065 0.000 0.906 347 N HN 0.348 nan 8.380 nan 0.000 0.541 348 A N 0.459 123.131 122.820 -0.247 0.000 2.602 348 A HA 0.738 5.057 4.320 -0.002 0.000 0.290 348 A C -1.609 175.921 177.584 -0.091 0.000 1.114 348 A CA -0.699 51.316 52.037 -0.036 0.000 0.683 348 A CB 1.126 20.205 19.000 0.132 0.000 1.281 348 A HN 0.197 nan 8.150 nan 0.000 0.416 349 Y N 0.419 120.924 120.300 0.342 0.000 2.409 349 Y HA 0.561 5.110 4.550 -0.002 0.000 0.343 349 Y C 0.239 176.208 175.900 0.115 0.000 0.973 349 Y CA -0.688 57.569 58.100 0.262 0.000 1.064 349 Y CB 2.087 40.687 38.460 0.233 0.000 1.207 349 Y HN 0.559 nan 8.280 nan 0.000 0.452 350 K N 3.439 123.860 120.400 0.034 0.000 2.172 350 K HA 0.580 4.899 4.320 -0.002 0.000 0.276 350 K C -1.087 175.429 176.600 -0.140 0.000 1.013 350 K CA -0.392 55.727 56.287 -0.280 0.000 0.913 350 K CB 1.128 33.267 32.500 -0.602 0.000 1.055 350 K HN 0.573 nan 8.250 nan 0.000 0.461 351 I N 4.161 124.629 120.570 -0.170 0.000 2.437 351 I HA 0.198 4.367 4.170 -0.002 0.000 0.279 351 I C -1.068 175.114 176.117 0.107 0.000 1.028 351 I CA -0.733 60.566 61.300 -0.002 0.000 1.142 351 I CB 0.509 38.435 38.000 -0.124 0.000 1.266 351 I HN 0.455 nan 8.210 nan 0.000 0.461 352 Y N 4.358 124.853 120.300 0.325 0.000 2.313 352 Y HA 0.216 4.765 4.550 -0.002 0.000 0.332 352 Y C 0.974 177.063 175.900 0.316 0.000 1.071 352 Y CA -0.497 57.780 58.100 0.295 0.000 1.169 352 Y CB 0.594 39.154 38.460 0.168 0.000 1.192 352 Y HN 0.503 nan 8.280 nan 0.000 0.487 353 N N 3.258 122.142 118.700 0.306 0.000 2.454 353 N HA -0.070 4.669 4.740 -0.002 0.000 0.260 353 N C 1.129 176.532 175.510 -0.179 0.000 1.218 353 N CA 0.047 52.910 53.050 -0.312 0.000 0.904 353 N CB 0.620 38.812 38.487 -0.491 0.000 1.065 353 N HN 0.724 nan 8.380 nan 0.000 0.462 354 R N 2.715 123.044 120.500 -0.284 0.000 2.066 354 R HA -0.176 4.163 4.340 -0.002 0.000 0.232 354 R C 1.553 177.761 176.300 -0.154 0.000 1.131 354 R CA 1.460 57.470 56.100 -0.151 0.000 0.955 354 R CB -0.458 29.764 30.300 -0.129 0.000 0.851 354 R HN 0.743 nan 8.270 nan 0.000 0.432 355 E N -0.033 120.032 120.200 -0.225 0.000 2.077 355 E HA -0.087 4.262 4.350 -0.002 0.000 0.193 355 E C -0.315 176.200 176.600 -0.142 0.000 0.989 355 E CA 1.346 57.639 56.400 -0.179 0.000 0.800 355 E CB 0.143 29.715 29.700 -0.214 0.000 0.746 355 E HN 0.077 nan 8.360 nan 0.000 0.452 356 T N 1.601 116.066 114.554 -0.149 0.000 3.150 356 T HA 0.259 4.608 4.350 -0.002 0.000 0.383 356 T C -2.335 172.345 174.700 -0.034 0.000 1.313 356 T CA -1.419 60.628 62.100 -0.087 0.000 1.235 356 T CB 1.513 70.325 68.868 -0.093 0.000 1.088 356 T HN -0.013 nan 8.240 nan 0.000 0.556 357 P HA -0.144 nan 4.420 nan 0.000 0.216 357 P C 1.784 179.144 177.300 0.101 0.000 1.150 357 P CA 1.195 64.309 63.100 0.023 0.000 0.843 357 P CB -0.099 31.584 31.700 -0.028 0.000 0.787 358 T N -4.405 110.198 114.554 0.081 0.000 3.148 358 T HA 0.124 4.472 4.350 -0.002 0.000 0.253 358 T C 0.547 175.347 174.700 0.166 0.000 1.134 358 T CA 0.098 62.276 62.100 0.130 0.000 1.051 358 T CB -0.739 68.176 68.868 0.078 0.000 0.959 358 T HN -0.047 nan 8.240 nan 0.000 0.525 359 L N 1.805 123.115 121.223 0.146 0.000 2.264 359 L HA 0.510 4.849 4.340 -0.002 0.000 0.289 359 L C -0.741 176.261 176.870 0.219 0.000 1.044 359 L CA -1.088 53.837 54.840 0.142 0.000 0.807 359 L CB 1.326 43.418 42.059 0.055 0.000 1.192 359 L HN 0.107 nan 8.230 nan 0.000 0.425 360 L N 4.144 125.486 121.223 0.199 0.000 2.309 360 L HA 0.385 4.724 4.340 -0.002 0.000 0.282 360 L C -0.072 176.918 176.870 0.199 0.000 1.036 360 L CA -0.220 54.700 54.840 0.134 0.000 0.806 360 L CB 1.585 43.631 42.059 -0.022 0.000 1.220 360 L HN 0.437 nan 8.230 nan 0.000 0.429 361 L N 3.534 124.857 121.223 0.167 0.000 2.615 361 L HA 0.240 4.579 4.340 -0.002 0.000 0.271 361 L C -0.077 176.953 176.870 0.267 0.000 1.183 361 L CA 0.531 55.398 54.840 0.044 0.000 0.933 361 L CB -0.143 41.670 42.059 -0.411 0.000 1.199 361 L HN 0.922 nan 8.230 nan 0.000 0.487 362 S N 3.458 119.357 115.700 0.332 0.000 2.579 362 S HA 0.464 4.932 4.470 -0.002 0.000 0.272 362 S C -1.552 173.330 174.600 0.470 0.000 1.141 362 S CA -0.922 57.516 58.200 0.397 0.000 0.843 362 S CB 1.165 64.508 63.200 0.239 0.000 1.122 362 S HN 0.586 nan 8.310 nan 0.000 0.468 363 W N 3.059 124.446 121.300 0.145 0.000 2.318 363 W HA 0.492 5.151 4.660 -0.001 0.000 0.315 363 W C -0.366 176.132 176.519 -0.036 0.000 1.033 363 W CA -1.309 56.087 57.345 0.084 0.000 1.275 363 W CB 0.885 30.374 29.460 0.047 0.000 1.250 363 W HN 0.798 nan 8.180 nan 0.000 0.421 364 N N 3.463 122.023 118.700 -0.233 0.000 2.670 364 N HA -0.112 4.626 4.740 -0.002 0.000 0.296 364 N C 1.370 176.370 175.510 -0.850 0.000 1.216 364 N CA 0.964 53.715 53.050 -0.498 0.000 1.123 364 N CB 0.318 38.605 38.487 -0.333 0.000 1.459 364 N HN 0.467 nan 8.380 nan 0.000 0.509 365 S N 1.559 116.576 115.700 -1.139 0.000 2.507 365 S HA -0.013 4.455 4.470 -0.002 0.000 0.235 365 S C 1.127 175.321 174.600 -0.676 0.000 0.988 365 S CA 0.460 57.818 58.200 -1.403 0.000 0.944 365 S CB 0.086 62.588 63.200 -1.162 0.000 0.762 365 S HN 0.417 nan 8.310 nan 0.000 0.526 366 N N 1.419 119.837 118.700 -0.469 0.000 2.325 366 N HA 0.150 4.889 4.740 -0.002 0.000 0.182 366 N C 0.497 175.883 175.510 -0.206 0.000 1.088 366 N CA 0.256 53.137 53.050 -0.281 0.000 0.879 366 N CB 0.139 38.490 38.487 -0.227 0.000 0.983 366 N HN 0.439 nan 8.380 nan 0.000 0.471 367 S N 0.594 116.162 115.700 -0.220 0.000 2.554 367 S HA 0.045 4.514 4.470 -0.002 0.000 0.290 367 S C 0.609 175.167 174.600 -0.071 0.000 1.309 367 S CA -0.124 58.008 58.200 -0.114 0.000 1.047 367 S CB 0.491 63.645 63.200 -0.077 0.000 0.828 367 S HN 0.161 nan 8.310 nan 0.000 0.509 368 S N 2.896 118.578 115.700 -0.030 0.000 2.661 368 S HA 0.324 4.793 4.470 -0.002 0.000 0.265 368 S C 0.528 175.138 174.600 0.017 0.000 1.225 368 S CA -0.581 57.615 58.200 -0.008 0.000 0.986 368 S CB 0.139 63.338 63.200 -0.002 0.000 1.008 368 S HN 0.885 nan 8.310 nan 0.000 0.565 369 N N 0.160 118.876 118.700 0.027 0.000 2.741 369 N HA -0.145 4.594 4.740 -0.002 0.000 0.250 369 N C 0.556 176.105 175.510 0.065 0.000 1.115 369 N CA 1.011 54.088 53.050 0.045 0.000 0.724 369 N CB -1.773 36.744 38.487 0.050 0.000 1.090 369 N HN 1.118 nan 8.380 nan 0.000 0.558 370 G N 0.677 109.514 108.800 0.061 0.000 2.467 370 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.302 370 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.302 370 G C 0.305 175.304 174.900 0.165 0.000 0.930 370 G CA 1.206 46.365 45.100 0.098 0.000 1.008 370 G HN 0.939 nan 8.290 nan 0.000 0.512 371 E N -1.241 119.058 120.200 0.164 0.000 2.418 371 E HA 0.255 4.604 4.350 -0.002 0.000 0.261 371 E C 0.651 177.506 176.600 0.426 0.000 1.070 371 E CA -0.029 56.506 56.400 0.225 0.000 0.931 371 E CB 0.500 30.310 29.700 0.183 0.000 0.954 371 E HN 0.445 nan 8.360 nan 0.000 0.439 372 Q N 1.444 121.443 119.800 0.331 0.000 2.139 372 Q HA 0.148 4.487 4.340 -0.002 0.000 0.219 372 Q C -0.252 175.856 176.000 0.179 0.000 0.805 372 Q CA -0.184 55.777 55.803 0.262 0.000 1.024 372 Q CB 1.560 30.354 28.738 0.092 0.000 1.163 372 Q HN 0.619 nan 8.270 nan 0.000 0.485 373 V N -0.862 119.214 119.914 0.270 0.000 2.509 373 V HA 0.355 4.474 4.120 -0.002 0.000 0.284 373 V C 0.042 176.318 176.094 0.304 0.000 1.047 373 V CA -0.802 61.629 62.300 0.218 0.000 0.952 373 V CB 0.771 32.699 31.823 0.175 0.000 0.988 373 V HN -0.024 nan 8.190 nan 0.000 0.469 374 I N 5.939 126.640 120.570 0.217 0.000 2.474 374 I HA 0.549 4.718 4.170 -0.002 0.000 0.287 374 I C 0.726 176.967 176.117 0.207 0.000 1.048 374 I CA 0.299 61.740 61.300 0.236 0.000 1.383 374 I CB 0.751 38.804 38.000 0.089 0.000 1.412 374 I HN 0.846 nan 8.210 nan 0.000 0.531 375 R N 3.028 123.689 120.500 0.268 0.000 2.817 375 R HA 0.652 4.990 4.340 -0.002 0.000 0.268 375 R C -0.284 176.145 176.300 0.215 0.000 1.027 375 R CA -1.037 55.188 56.100 0.208 0.000 0.928 375 R CB 1.750 32.197 30.300 0.246 0.000 1.228 375 R HN 0.746 nan 8.270 nan 0.000 0.469 376 G N 0.788 109.627 108.800 0.063 0.000 2.338 376 G HA2 0.535 4.494 3.960 -0.002 0.000 0.298 376 G HA3 0.535 4.494 3.960 -0.002 0.000 0.298 376 G C -1.400 173.461 174.900 -0.065 0.000 1.140 376 G CA 0.037 45.187 45.100 0.082 0.000 0.860 376 G HN 0.335 nan 8.290 nan 0.000 0.470 377 Y N -0.256 120.098 120.300 0.089 0.000 2.615 377 Y HA 0.468 5.017 4.550 -0.002 0.000 0.341 377 Y C 0.916 176.860 175.900 0.073 0.000 1.089 377 Y CA -0.689 57.455 58.100 0.073 0.000 1.049 377 Y CB 2.119 40.616 38.460 0.062 0.000 1.296 377 Y HN 0.724 nan 8.280 nan 0.000 0.470 378 T N -1.521 113.196 114.554 0.271 0.000 2.828 378 T HA 0.148 4.497 4.350 -0.002 0.000 0.290 378 T C -0.056 174.741 174.700 0.160 0.000 1.019 378 T CA -0.925 61.286 62.100 0.185 0.000 1.031 378 T CB 0.715 69.672 68.868 0.148 0.000 1.001 378 T HN 0.600 nan 8.240 nan 0.000 0.531 379 E N 0.920 121.206 120.200 0.143 0.000 2.406 379 E HA 0.044 4.393 4.350 -0.002 0.000 0.247 379 E C 0.947 177.600 176.600 0.088 0.000 1.160 379 E CA -0.096 56.372 56.400 0.113 0.000 0.950 379 E CB -0.080 29.711 29.700 0.152 0.000 0.993 379 E HN 0.734 nan 8.360 nan 0.000 0.472 380 S N 2.988 118.725 115.700 0.061 0.000 2.535 380 S HA 0.198 4.667 4.470 -0.002 0.000 0.214 380 S C 1.586 176.207 174.600 0.035 0.000 0.980 380 S CA 0.115 58.336 58.200 0.034 0.000 0.907 380 S CB 0.455 63.646 63.200 -0.015 0.000 0.790 380 S HN 0.876 nan 8.310 nan 0.000 0.510 381 G N 1.089 109.929 108.800 0.068 0.000 2.199 381 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.254 381 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.254 381 G C 0.213 175.164 174.900 0.085 0.000 0.982 381 G CA 0.318 45.468 45.100 0.083 0.000 0.632 381 G HN 1.140 nan 8.290 nan 0.000 0.529 382 S N -0.175 115.562 115.700 0.061 0.000 2.646 382 S HA 0.553 5.022 4.470 -0.002 0.000 0.276 382 S C 1.383 176.045 174.600 0.103 0.000 1.222 382 S CA 0.308 58.523 58.200 0.023 0.000 1.014 382 S CB 0.961 64.132 63.200 -0.049 0.000 0.991 382 S HN 0.171 nan 8.310 nan 0.000 0.533 383 N N 2.514 121.228 118.700 0.024 0.000 2.512 383 N HA -0.076 4.663 4.740 -0.002 0.000 0.183 383 N C 1.137 176.657 175.510 0.015 0.000 1.073 383 N CA 0.822 53.896 53.050 0.040 0.000 0.911 383 N CB -0.663 37.764 38.487 -0.100 0.000 0.964 383 N HN 0.840 nan 8.380 nan 0.000 0.447 384 N N 0.588 119.252 118.700 -0.060 0.000 2.609 384 N HA -0.127 4.612 4.740 -0.002 0.000 0.190 384 N C 0.651 176.063 175.510 -0.165 0.000 1.157 384 N CA 0.779 53.751 53.050 -0.129 0.000 0.918 384 N CB -0.257 38.110 38.487 -0.200 0.000 0.978 384 N HN 0.308 nan 8.380 nan 0.000 0.448 385 Q N -1.103 118.640 119.800 -0.095 0.000 2.220 385 Q HA 0.164 4.503 4.340 -0.002 0.000 0.205 385 Q C -0.820 175.013 176.000 -0.279 0.000 0.865 385 Q CA -0.112 55.616 55.803 -0.125 0.000 0.960 385 Q CB 0.257 28.933 28.738 -0.105 0.000 1.097 385 Q HN 0.416 nan 8.270 nan 0.000 0.493 386 Y N -0.736 119.370 120.300 -0.323 0.000 2.468 386 Y HA 0.385 4.933 4.550 -0.002 0.000 0.342 386 Y C -0.870 174.782 175.900 -0.413 0.000 1.021 386 Y CA -0.853 57.124 58.100 -0.204 0.000 1.079 386 Y CB 1.335 39.723 38.460 -0.120 0.000 1.226 386 Y HN -0.003 nan 8.280 nan 0.000 0.460 387 W N 0.976 122.445 121.300 0.282 0.000 2.839 387 W HA 0.460 5.119 4.660 -0.002 0.000 0.334 387 W C -0.735 175.966 176.519 0.303 0.000 1.064 387 W CA -1.079 56.416 57.345 0.250 0.000 1.236 387 W CB 1.832 31.438 29.460 0.243 0.000 1.405 387 W HN 0.428 nan 8.180 nan 0.000 0.478 388 T N 0.768 115.569 114.554 0.413 0.000 2.780 388 T HA 0.641 4.990 4.350 -0.002 0.000 0.294 388 T C -0.497 174.342 174.700 0.231 0.000 0.949 388 T CA -0.331 61.978 62.100 0.347 0.000 1.074 388 T CB 0.462 69.460 68.868 0.217 0.000 0.910 388 T HN 0.337 nan 8.240 nan 0.000 0.501 389 I N 3.211 123.893 120.570 0.187 0.000 2.328 389 I HA 0.333 4.502 4.170 -0.002 0.000 0.287 389 I C 0.219 176.337 176.117 0.003 0.000 1.012 389 I CA -0.612 60.557 61.300 -0.219 0.000 1.195 389 I CB 1.169 38.699 38.000 -0.784 0.000 1.350 389 I HN 0.692 nan 8.210 nan 0.000 0.464 390 E N 5.858 126.083 120.200 0.041 0.000 2.171 390 E HA 0.299 4.647 4.350 -0.002 0.000 0.271 390 E C -0.677 175.991 176.600 0.113 0.000 0.916 390 E CA -0.928 55.535 56.400 0.106 0.000 0.774 390 E CB 2.165 31.916 29.700 0.086 0.000 1.128 390 E HN 0.314 nan 8.360 nan 0.000 0.403 391 K N 3.603 124.042 120.400 0.065 0.000 2.273 391 K HA 0.070 4.389 4.320 -0.002 0.000 0.287 391 K C -0.127 176.411 176.600 -0.103 0.000 1.089 391 K CA -0.579 55.594 56.287 -0.190 0.000 0.909 391 K CB 0.192 32.521 32.500 -0.285 0.000 1.123 391 K HN 0.467 nan 8.250 nan 0.000 0.473 392 N N 2.231 120.886 118.700 -0.074 0.000 2.371 392 N HA -0.094 4.645 4.740 -0.002 0.000 0.243 392 N C 0.994 176.491 175.510 -0.021 0.000 1.287 392 N CA -0.200 52.842 53.050 -0.013 0.000 0.911 392 N CB 0.390 38.894 38.487 0.029 0.000 1.142 392 N HN 0.158 nan 8.380 nan 0.000 0.451 393 V N 0.996 120.911 119.914 0.001 0.000 2.370 393 V HA -0.304 3.815 4.120 -0.002 0.000 0.252 393 V C 1.419 177.518 176.094 0.009 0.000 1.068 393 V CA 2.305 64.606 62.300 0.001 0.000 1.061 393 V CB -1.204 30.624 31.823 0.008 0.000 0.656 393 V HN 0.715 nan 8.190 nan 0.000 0.455 394 N N -0.333 118.398 118.700 0.052 0.000 2.461 394 N HA 0.261 5.000 4.740 -0.002 0.000 0.188 394 N C 1.253 176.823 175.510 0.099 0.000 1.134 394 N CA 0.720 53.836 53.050 0.109 0.000 0.878 394 N CB 0.599 39.193 38.487 0.178 0.000 0.972 394 N HN 0.587 nan 8.380 nan 0.000 0.456 395 G N -0.608 108.170 108.800 -0.038 0.000 2.201 395 G HA2 -0.243 3.715 3.960 -0.002 0.000 0.212 395 G HA3 -0.243 3.715 3.960 -0.002 0.000 0.212 395 G C -0.021 174.578 174.900 -0.502 0.000 0.994 395 G CA -0.552 44.390 45.100 -0.264 0.000 0.644 395 G HN 0.196 nan 8.290 nan 0.000 0.508 396 F N 0.002 119.788 119.950 -0.275 0.000 2.380 396 F HA 0.755 5.281 4.527 -0.002 0.000 0.321 396 F C 0.483 176.065 175.800 -0.364 0.000 1.103 396 F CA -0.901 56.965 58.000 -0.223 0.000 1.067 396 F CB 0.843 39.813 39.000 -0.050 0.000 1.265 396 F HN 0.001 nan 8.300 nan 0.000 0.517 397 Y N 1.288 121.742 120.300 0.258 0.000 2.377 397 Y HA 0.416 4.965 4.550 -0.001 0.000 0.339 397 Y C -0.120 175.905 175.900 0.209 0.000 1.011 397 Y CA -1.079 57.081 58.100 0.099 0.000 1.093 397 Y CB 1.235 39.647 38.460 -0.081 0.000 1.201 397 Y HN 0.255 nan 8.280 nan 0.000 0.455 398 K N 2.958 123.497 120.400 0.231 0.000 2.156 398 K HA 0.493 4.812 4.320 -0.002 0.000 0.250 398 K C -1.527 175.108 176.600 0.058 0.000 0.955 398 K CA -0.778 55.669 56.287 0.267 0.000 0.855 398 K CB 1.769 34.388 32.500 0.198 0.000 1.101 398 K HN 0.530 nan 8.250 nan 0.000 0.434 399 F N 2.602 122.609 119.950 0.094 0.000 2.430 399 F HA 0.287 4.812 4.527 -0.002 0.000 0.362 399 F C 0.274 176.226 175.800 0.253 0.000 1.103 399 F CA -0.873 57.149 58.000 0.037 0.000 1.045 399 F CB 1.166 39.937 39.000 -0.383 0.000 1.276 399 F HN 0.214 nan 8.300 nan 0.000 0.444 400 R N 1.975 122.747 120.500 0.453 0.000 2.514 400 R HA 0.380 4.719 4.340 -0.002 0.000 0.301 400 R C -0.365 176.181 176.300 0.410 0.000 0.962 400 R CA -0.838 55.514 56.100 0.419 0.000 0.882 400 R CB 1.378 31.807 30.300 0.215 0.000 1.143 400 R HN 0.491 nan 8.270 nan 0.000 0.452 401 N N 1.460 120.237 118.700 0.128 0.000 2.344 401 N HA -0.085 4.653 4.740 -0.002 0.000 0.236 401 N C 0.314 175.737 175.510 -0.145 0.000 1.279 401 N CA -0.079 52.703 53.050 -0.448 0.000 0.882 401 N CB 0.792 38.995 38.487 -0.474 0.000 1.110 401 N HN 0.511 nan 8.380 nan 0.000 0.436 402 L N 2.475 123.590 121.223 -0.181 0.000 2.253 402 L HA -0.013 4.326 4.340 -0.002 0.000 0.205 402 L C 2.544 179.390 176.870 -0.039 0.000 1.078 402 L CA 1.199 56.003 54.840 -0.060 0.000 0.805 402 L CB -0.695 41.337 42.059 -0.045 0.000 0.963 402 L HN 0.767 nan 8.230 nan 0.000 0.459 403 S N -1.727 113.951 115.700 -0.036 0.000 2.419 403 S HA -0.116 4.353 4.470 -0.002 0.000 0.233 403 S C 0.781 175.417 174.600 0.060 0.000 1.016 403 S CA 0.905 59.102 58.200 -0.006 0.000 0.974 403 S CB -0.274 62.903 63.200 -0.038 0.000 0.786 403 S HN 0.531 nan 8.310 nan 0.000 0.492 404 D N 0.975 121.450 120.400 0.124 0.000 2.319 404 D HA 0.261 4.899 4.640 -0.002 0.000 0.237 404 D C -2.722 173.622 176.300 0.073 0.000 1.353 404 D CA -1.593 52.487 54.000 0.133 0.000 0.992 404 D CB 2.055 43.015 40.800 0.265 0.000 1.368 404 D HN 0.014 nan 8.370 nan 0.000 0.564 405 P HA -0.017 nan 4.420 nan 0.000 0.245 405 P C 1.086 178.416 177.300 0.050 0.000 1.212 405 P CA 0.294 63.423 63.100 0.050 0.000 0.774 405 P CB 0.147 31.876 31.700 0.049 0.000 0.999 406 S N -1.443 114.280 115.700 0.038 0.000 2.562 406 S HA 0.049 4.518 4.470 -0.002 0.000 0.221 406 S C 0.907 175.508 174.600 0.002 0.000 0.975 406 S CA 0.010 58.227 58.200 0.029 0.000 0.918 406 S CB -0.577 62.641 63.200 0.029 0.000 0.772 406 S HN -0.054 nan 8.310 nan 0.000 0.531 407 K N 1.658 122.036 120.400 -0.038 0.000 2.253 407 K HA 0.494 4.812 4.320 -0.002 0.000 0.277 407 K C -0.728 175.857 176.600 -0.025 0.000 1.053 407 K CA -0.170 56.031 56.287 -0.144 0.000 0.892 407 K CB 1.247 33.470 32.500 -0.462 0.000 1.102 407 K HN 0.358 nan 8.250 nan 0.000 0.469 408 I N 2.683 123.267 120.570 0.023 0.000 2.562 408 I HA 0.253 4.422 4.170 -0.002 0.000 0.301 408 I C -0.209 175.990 176.117 0.138 0.000 1.003 408 I CA -1.367 60.020 61.300 0.145 0.000 1.127 408 I CB 1.698 39.776 38.000 0.130 0.000 1.304 408 I HN 0.278 nan 8.210 nan 0.000 0.446 409 L N 5.044 126.367 121.223 0.167 0.000 2.315 409 L HA 0.381 4.720 4.340 -0.002 0.000 0.283 409 L C -0.786 176.214 176.870 0.217 0.000 1.089 409 L CA 0.776 55.596 54.840 -0.034 0.000 0.833 409 L CB 0.196 41.915 42.059 -0.567 0.000 1.170 409 L HN 0.493 nan 8.230 nan 0.000 0.442 410 D N 3.330 123.857 120.400 0.212 0.000 2.602 410 D HA 0.402 5.041 4.640 -0.002 0.000 0.236 410 D C -1.107 175.341 176.300 0.246 0.000 1.209 410 D CA -0.398 53.780 54.000 0.297 0.000 0.831 410 D CB 1.693 42.566 40.800 0.123 0.000 1.478 410 D HN 0.367 nan 8.370 nan 0.000 0.438 411 L N 1.349 122.664 121.223 0.154 0.000 2.395 411 L HA 0.334 4.672 4.340 -0.002 0.000 0.269 411 L C 0.903 177.795 176.870 0.038 0.000 1.133 411 L CA -0.502 54.387 54.840 0.082 0.000 0.812 411 L CB 0.622 42.674 42.059 -0.013 0.000 1.125 411 L HN 0.240 nan 8.230 nan 0.000 0.452 412 K N 2.954 123.378 120.400 0.039 0.000 2.419 412 K HA -0.073 4.246 4.320 -0.002 0.000 0.282 412 K C -0.080 176.525 176.600 0.008 0.000 1.056 412 K CA 0.199 56.502 56.287 0.027 0.000 1.035 412 K CB 0.044 32.565 32.500 0.035 0.000 0.921 412 K HN 0.598 nan 8.250 nan 0.000 0.472 413 D N 3.235 123.636 120.400 0.002 0.000 3.018 413 D HA -0.225 4.414 4.640 -0.002 0.000 0.224 413 D C 0.663 176.948 176.300 -0.025 0.000 1.185 413 D CA 1.442 55.436 54.000 -0.009 0.000 0.858 413 D CB -1.084 39.713 40.800 -0.005 0.000 1.112 413 D HN 1.055 nan 8.370 nan 0.000 0.415 414 G N 0.206 108.985 108.800 -0.035 0.000 2.155 414 G HA2 -0.366 3.593 3.960 -0.002 0.000 0.257 414 G HA3 -0.366 3.593 3.960 -0.002 0.000 0.257 414 G C 0.058 174.922 174.900 -0.060 0.000 0.983 414 G CA 0.329 45.391 45.100 -0.065 0.000 0.676 414 G HN 0.556 nan 8.290 nan 0.000 0.528 415 N N 1.202 119.880 118.700 -0.037 0.000 2.406 415 N HA 0.280 5.019 4.740 -0.002 0.000 0.265 415 N C 1.643 177.132 175.510 -0.035 0.000 1.203 415 N CA 0.467 53.498 53.050 -0.032 0.000 0.945 415 N CB 0.523 39.000 38.487 -0.016 0.000 1.165 415 N HN 0.434 nan 8.380 nan 0.000 0.485 416 T N -0.348 114.177 114.554 -0.049 0.000 3.085 416 T HA -0.028 4.321 4.350 -0.002 0.000 0.263 416 T C 1.104 175.778 174.700 -0.043 0.000 1.127 416 T CA -0.176 61.894 62.100 -0.050 0.000 1.103 416 T CB 0.327 69.158 68.868 -0.062 0.000 0.921 416 T HN 0.325 nan 8.240 nan 0.000 0.510 417 L N 2.984 124.181 121.223 -0.044 0.000 2.593 417 L HA 0.031 4.370 4.340 -0.002 0.000 0.287 417 L C 0.006 176.829 176.870 -0.078 0.000 1.243 417 L CA 0.607 55.413 54.840 -0.056 0.000 0.890 417 L CB -0.127 41.907 42.059 -0.041 0.000 1.134 417 L HN 0.328 nan 8.230 nan 0.000 0.502 418 N N 5.594 124.204 118.700 -0.150 0.000 2.407 418 N HA -0.044 4.694 4.740 -0.002 0.000 0.250 418 N C 0.633 176.044 175.510 -0.166 0.000 1.236 418 N CA 0.325 53.199 53.050 -0.293 0.000 0.879 418 N CB 0.476 38.596 38.487 -0.613 0.000 1.088 418 N HN 0.520 nan 8.380 nan 0.000 0.450 419 K N -1.815 118.546 120.400 -0.066 0.000 3.500 419 K HA -0.167 4.152 4.320 -0.002 0.000 0.313 419 K C -0.308 176.340 176.600 0.079 0.000 1.338 419 K CA 0.980 57.332 56.287 0.108 0.000 0.963 419 K CB -1.603 30.978 32.500 0.135 0.000 1.267 419 K HN 0.862 nan 8.250 nan 0.000 0.448 420 T N 0.584 115.167 114.554 0.047 0.000 2.799 420 T HA 0.331 4.679 4.350 -0.002 0.000 0.296 420 T C -2.375 172.370 174.700 0.074 0.000 0.947 420 T CA -1.396 60.733 62.100 0.049 0.000 1.141 420 T CB 0.938 69.823 68.868 0.027 0.000 0.891 420 T HN -0.150 nan 8.240 nan 0.000 0.533 421 P HA 0.196 nan 4.420 nan 0.000 0.268 421 P C -0.229 177.118 177.300 0.078 0.000 1.205 421 P CA -0.707 62.442 63.100 0.081 0.000 0.771 421 P CB 0.343 32.090 31.700 0.079 0.000 0.858 422 L N 3.891 125.155 121.223 0.069 0.000 2.477 422 L HA 0.094 4.433 4.340 -0.002 0.000 0.272 422 L C 0.580 177.472 176.870 0.037 0.000 1.157 422 L CA 0.599 55.464 54.840 0.042 0.000 0.889 422 L CB -0.004 42.016 42.059 -0.066 0.000 1.158 422 L HN 0.212 nan 8.230 nan 0.000 0.473 423 V N 2.605 122.541 119.914 0.038 0.000 3.234 423 V HA 0.737 4.856 4.120 -0.002 0.000 0.317 423 V C -0.479 175.596 176.094 -0.031 0.000 1.147 423 V CA -0.912 61.398 62.300 0.018 0.000 1.037 423 V CB 2.013 33.851 31.823 0.024 0.000 1.148 423 V HN 0.341 nan 8.190 nan 0.000 0.455 424 V N 1.694 121.535 119.914 -0.121 0.000 2.540 424 V HA 0.882 5.001 4.120 -0.002 0.000 0.302 424 V C -0.158 175.821 176.094 -0.192 0.000 1.035 424 V CA 0.748 62.923 62.300 -0.208 0.000 0.873 424 V CB 1.779 33.275 31.823 -0.544 0.000 0.992 424 V HN 1.572 nan 8.190 nan 0.000 0.428 425 S N 3.320 118.956 115.700 -0.106 0.000 2.570 425 S HA 0.613 5.082 4.470 -0.002 0.000 0.270 425 S C -0.359 174.220 174.600 -0.034 0.000 1.149 425 S CA -0.182 57.979 58.200 -0.065 0.000 0.837 425 S CB 1.546 64.733 63.200 -0.022 0.000 1.124 425 S HN 1.473 nan 8.310 nan 0.000 0.465 426 S N 0.294 115.981 115.700 -0.022 0.000 2.569 426 S HA 0.213 4.681 4.470 -0.002 0.000 0.274 426 S C 0.107 174.714 174.600 0.012 0.000 1.353 426 S CA -0.348 57.851 58.200 -0.002 0.000 1.023 426 S CB -0.174 63.028 63.200 0.003 0.000 0.876 426 S HN 0.888 nan 8.310 nan 0.000 0.540 427 E N 0.911 121.123 120.200 0.021 0.000 2.415 427 E HA 0.122 4.471 4.350 -0.002 0.000 0.263 427 E C -0.564 176.045 176.600 0.015 0.000 0.995 427 E CA 0.258 56.674 56.400 0.027 0.000 0.915 427 E CB 0.174 29.892 29.700 0.030 0.000 0.951 427 E HN 0.685 nan 8.360 nan 0.000 0.449 428 N N 0.780 119.486 118.700 0.011 0.000 2.242 428 N HA 0.103 4.841 4.740 -0.002 0.000 0.292 428 N C -0.823 174.679 175.510 -0.013 0.000 1.125 428 N CA -0.551 52.497 53.050 -0.004 0.000 0.783 428 N CB 1.763 40.243 38.487 -0.012 0.000 1.558 428 N HN 0.350 nan 8.380 nan 0.000 0.472 429 S N -0.585 115.103 115.700 -0.021 0.000 2.942 429 S HA 0.063 4.532 4.470 -0.002 0.000 0.244 429 S C 0.288 174.854 174.600 -0.057 0.000 1.011 429 S CA -0.528 57.651 58.200 -0.035 0.000 1.102 429 S CB -0.433 62.749 63.200 -0.031 0.000 0.812 429 S HN 0.383 nan 8.310 nan 0.000 0.486 430 S N 0.425 116.090 115.700 -0.059 0.000 2.525 430 S HA 0.376 4.844 4.470 -0.002 0.000 0.278 430 S C 1.098 175.622 174.600 -0.126 0.000 1.234 430 S CA -0.701 57.450 58.200 -0.083 0.000 1.058 430 S CB 1.039 64.199 63.200 -0.067 0.000 0.983 430 S HN 0.407 nan 8.310 nan 0.000 0.495 431 S N 2.990 118.591 115.700 -0.164 0.000 2.474 431 S HA -0.083 4.385 4.470 -0.002 0.000 0.235 431 S C 2.030 176.443 174.600 -0.311 0.000 0.997 431 S CA 1.133 59.187 58.200 -0.243 0.000 0.949 431 S CB -0.265 62.790 63.200 -0.242 0.000 0.766 431 S HN 0.895 nan 8.310 nan 0.000 0.517 432 S N 2.426 117.967 115.700 -0.266 0.000 2.423 432 S HA -0.192 4.277 4.470 -0.002 0.000 0.231 432 S C 1.683 176.022 174.600 -0.435 0.000 1.014 432 S CA 0.795 58.788 58.200 -0.346 0.000 0.965 432 S CB -0.527 62.550 63.200 -0.205 0.000 0.785 432 S HN 0.824 nan 8.310 nan 0.000 0.495 433 Q N 0.840 120.512 119.800 -0.213 0.000 2.365 433 Q HA 0.272 4.611 4.340 -0.002 0.000 0.203 433 Q C -0.277 175.745 176.000 0.037 0.000 0.929 433 Q CA 0.035 55.847 55.803 0.014 0.000 0.948 433 Q CB -0.188 28.619 28.738 0.115 0.000 1.043 433 Q HN 0.558 nan 8.270 nan 0.000 0.505 434 E N 0.679 120.708 120.200 -0.284 0.000 2.191 434 E HA 0.334 4.682 4.350 -0.002 0.000 0.278 434 E C -1.531 174.923 176.600 -0.243 0.000 0.972 434 E CA -0.576 55.754 56.400 -0.117 0.000 0.804 434 E CB 0.803 30.346 29.700 -0.261 0.000 1.110 434 E HN 0.173 nan 8.360 nan 0.000 0.394 435 W N 2.266 123.746 121.300 0.299 0.000 3.022 435 W HA 0.383 5.043 4.660 -0.001 0.000 0.335 435 W C -0.734 176.054 176.519 0.450 0.000 1.133 435 W CA -0.613 56.931 57.345 0.332 0.000 1.219 435 W CB 0.799 30.408 29.460 0.249 0.000 1.409 435 W HN 0.231 nan 8.180 nan 0.000 0.507 436 L N 3.878 125.442 121.223 0.568 0.000 2.331 436 L HA 0.435 4.773 4.340 -0.002 0.000 0.278 436 L C -0.111 176.962 176.870 0.338 0.000 1.106 436 L CA -0.561 54.496 54.840 0.363 0.000 0.824 436 L CB 0.562 42.758 42.059 0.229 0.000 1.142 436 L HN 0.366 nan 8.230 nan 0.000 0.443 437 I N 3.498 124.222 120.570 0.257 0.000 2.371 437 I HA 0.255 4.424 4.170 -0.002 0.000 0.282 437 I C -0.113 176.107 176.117 0.172 0.000 1.031 437 I CA -0.350 61.008 61.300 0.097 0.000 1.180 437 I CB 1.410 39.253 38.000 -0.263 0.000 1.336 437 I HN 0.600 nan 8.210 nan 0.000 0.467 438 E N 5.689 126.041 120.200 0.254 0.000 2.166 438 E HA 0.294 4.642 4.350 -0.002 0.000 0.275 438 E C -0.498 176.259 176.600 0.263 0.000 0.941 438 E CA -0.944 55.593 56.400 0.227 0.000 0.784 438 E CB 1.431 31.215 29.700 0.140 0.000 1.115 438 E HN 0.339 nan 8.360 nan 0.000 0.399 439 K N 3.017 123.487 120.400 0.116 0.000 2.297 439 K HA 0.122 4.441 4.320 -0.002 0.000 0.286 439 K C -0.783 175.665 176.600 -0.253 0.000 1.053 439 K CA -0.317 55.813 56.287 -0.261 0.000 0.940 439 K CB 0.662 32.931 32.500 -0.384 0.000 1.019 439 K HN 0.536 nan 8.250 nan 0.000 0.475 440 T N 2.013 116.366 114.554 -0.334 0.000 2.940 440 T HA 0.108 4.457 4.350 -0.002 0.000 0.309 440 T C -0.054 174.305 174.700 -0.568 0.000 1.056 440 T CA -0.623 61.237 62.100 -0.401 0.000 1.137 440 T CB 0.363 69.006 68.868 -0.374 0.000 0.976 440 T HN 0.620 nan 8.240 nan 0.000 0.547 441 N N 1.870 120.183 118.700 -0.646 0.000 2.549 441 N HA 0.307 5.046 4.740 -0.002 0.000 0.281 441 N C -0.727 174.528 175.510 -0.424 0.000 1.084 441 N CA -0.813 51.959 53.050 -0.463 0.000 0.862 441 N CB 0.773 39.143 38.487 -0.194 0.000 1.333 441 N HN 0.613 nan 8.380 nan 0.000 0.523 442 Y N 1.420 121.777 120.300 0.096 0.000 2.239 442 Y HA 0.241 4.790 4.550 -0.002 0.000 0.293 442 Y C 1.238 177.254 175.900 0.194 0.000 1.126 442 Y CA 0.276 58.491 58.100 0.193 0.000 1.128 442 Y CB -0.390 38.227 38.460 0.263 0.000 1.066 442 Y HN 0.504 nan 8.280 nan 0.000 0.516 443 Q N 1.464 121.295 119.800 0.052 0.000 2.736 443 Q HA -0.026 4.312 4.340 -0.002 0.000 0.234 443 Q C 0.917 176.940 176.000 0.038 0.000 1.354 443 Q CA 0.164 55.808 55.803 -0.266 0.000 0.891 443 Q CB 0.133 28.423 28.738 -0.748 0.000 1.665 443 Q HN 0.342 nan 8.270 nan 0.000 0.563 444 T N 0.965 115.624 114.554 0.174 0.000 3.031 444 T HA 0.072 4.421 4.350 -0.002 0.000 0.254 444 T C 0.293 175.029 174.700 0.060 0.000 1.060 444 T CA 0.723 62.891 62.100 0.114 0.000 1.135 444 T CB 0.379 69.346 68.868 0.164 0.000 0.896 444 T HN 0.428 nan 8.240 nan 0.000 0.472 445 V N 0.228 120.142 119.914 -0.000 0.000 2.604 445 V HA 0.619 4.738 4.120 -0.002 0.000 0.305 445 V C -0.203 175.959 176.094 0.113 0.000 1.043 445 V CA -1.609 60.632 62.300 -0.100 0.000 0.888 445 V CB 1.661 33.130 31.823 -0.590 0.000 0.995 445 V HN 0.166 nan 8.190 nan 0.000 0.429 446 K N 2.174 122.683 120.400 0.181 0.000 2.397 446 K HA 0.079 4.397 4.320 -0.002 0.000 0.265 446 K C -0.113 176.704 176.600 0.363 0.000 0.982 446 K CA -0.076 56.361 56.287 0.249 0.000 0.931 446 K CB 0.340 32.975 32.500 0.225 0.000 0.943 446 K HN 0.900 nan 8.250 nan 0.000 0.501 447 D N 0.476 121.060 120.400 0.306 0.000 2.357 447 D HA 0.411 5.049 4.640 -0.002 0.000 0.242 447 D C 0.459 176.941 176.300 0.303 0.000 1.153 447 D CA 1.014 55.209 54.000 0.324 0.000 0.918 447 D CB 1.083 42.023 40.800 0.233 0.000 1.181 447 D HN 0.778 nan 8.370 nan 0.000 0.435 448 G N -0.470 108.506 108.800 0.294 0.000 2.331 448 G HA2 0.195 4.153 3.960 -0.002 0.000 0.402 448 G HA3 0.195 4.153 3.960 -0.002 0.000 0.402 448 G C -0.667 174.322 174.900 0.149 0.000 1.275 448 G CA -0.344 44.848 45.100 0.153 0.000 1.003 448 G HN 0.695 nan 8.290 nan 0.000 0.500 449 T N -1.501 113.027 114.554 -0.043 0.000 2.799 449 T HA 0.748 5.097 4.350 -0.002 0.000 0.286 449 T C -0.661 173.926 174.700 -0.187 0.000 0.973 449 T CA -0.270 61.847 62.100 0.028 0.000 1.035 449 T CB 1.212 70.137 68.868 0.095 0.000 0.932 449 T HN 0.793 nan 8.240 nan 0.000 0.469 450 Y N 0.706 121.085 120.300 0.131 0.000 2.581 450 Y HA 0.513 5.062 4.550 -0.002 0.000 0.345 450 Y C 0.115 176.090 175.900 0.125 0.000 1.036 450 Y CA -1.299 56.870 58.100 0.115 0.000 1.042 450 Y CB 2.592 41.070 38.460 0.029 0.000 1.289 450 Y HN 0.647 nan 8.280 nan 0.000 0.471 451 Q N 2.004 121.972 119.800 0.281 0.000 2.456 451 Q HA 0.511 4.850 4.340 -0.002 0.000 0.252 451 Q C -1.769 174.350 176.000 0.198 0.000 1.042 451 Q CA -0.574 55.344 55.803 0.192 0.000 0.766 451 Q CB 0.886 29.686 28.738 0.102 0.000 1.196 451 Q HN 0.582 nan 8.270 nan 0.000 0.504 452 V N 3.117 123.132 119.914 0.168 0.000 2.572 452 V HA 0.382 4.501 4.120 -0.002 0.000 0.291 452 V C 0.065 176.259 176.094 0.166 0.000 1.039 452 V CA -0.022 62.308 62.300 0.051 0.000 1.055 452 V CB 0.592 32.259 31.823 -0.260 0.000 0.969 452 V HN 0.842 nan 8.190 nan 0.000 0.482 453 S N 2.319 118.199 115.700 0.300 0.000 2.541 453 S HA 0.568 5.037 4.470 -0.002 0.000 0.271 453 S C -0.459 174.391 174.600 0.416 0.000 1.133 453 S CA -0.526 57.889 58.200 0.359 0.000 0.876 453 S CB 1.717 65.044 63.200 0.212 0.000 1.105 453 S HN 1.017 nan 8.310 nan 0.000 0.470 454 S N 0.761 116.599 115.700 0.230 0.000 2.562 454 S HA 0.228 4.697 4.470 -0.002 0.000 0.281 454 S C 1.094 175.612 174.600 -0.137 0.000 1.333 454 S CA -0.228 57.832 58.200 -0.234 0.000 1.052 454 S CB 0.964 63.967 63.200 -0.328 0.000 0.884 454 S HN 0.886 nan 8.310 nan 0.000 0.506 455 K N 3.820 124.090 120.400 -0.218 0.000 2.097 455 K HA 0.004 4.323 4.320 -0.002 0.000 0.206 455 K C 1.812 178.349 176.600 -0.105 0.000 1.049 455 K CA 1.720 57.933 56.287 -0.124 0.000 0.933 455 K CB -0.684 31.731 32.500 -0.142 0.000 0.717 455 K HN 0.779 nan 8.250 nan 0.000 0.442 456 L N 0.014 121.151 121.223 -0.144 0.000 2.021 456 L HA -0.207 4.132 4.340 -0.002 0.000 0.215 456 L C 0.642 177.472 176.870 -0.066 0.000 1.074 456 L CA 1.331 56.109 54.840 -0.105 0.000 0.760 456 L CB -0.330 41.655 42.059 -0.123 0.000 0.889 456 L HN 0.331 nan 8.230 nan 0.000 0.433 457 N N -0.851 117.816 118.700 -0.055 0.000 2.571 457 N HA 0.032 4.771 4.740 -0.002 0.000 0.286 457 N C 0.211 175.725 175.510 0.007 0.000 1.138 457 N CA -0.325 52.712 53.050 -0.023 0.000 0.859 457 N CB 1.218 39.691 38.487 -0.023 0.000 1.414 457 N HN 0.233 nan 8.380 nan 0.000 0.529 458 E N 1.672 121.884 120.200 0.019 0.000 2.515 458 E HA -0.036 4.313 4.350 -0.002 0.000 0.201 458 E C 0.176 176.818 176.600 0.070 0.000 1.071 458 E CA 0.617 57.049 56.400 0.054 0.000 0.880 458 E CB 0.040 29.772 29.700 0.053 0.000 0.828 458 E HN 0.412 nan 8.360 nan 0.000 0.540 459 N N 0.973 119.703 118.700 0.052 0.000 2.376 459 N HA -0.029 4.710 4.740 -0.002 0.000 0.177 459 N C -0.060 175.494 175.510 0.074 0.000 1.024 459 N CA 0.594 53.679 53.050 0.058 0.000 0.893 459 N CB 0.190 38.697 38.487 0.033 0.000 0.980 459 N HN 0.063 nan 8.380 nan 0.000 0.439 460 K N 2.216 122.656 120.400 0.068 0.000 2.310 460 K HA 0.197 4.516 4.320 -0.002 0.000 0.290 460 K C 0.104 176.802 176.600 0.163 0.000 1.077 460 K CA -0.194 56.146 56.287 0.088 0.000 0.922 460 K CB 0.953 33.481 32.500 0.046 0.000 1.057 460 K HN -0.058 nan 8.250 nan 0.000 0.479 461 V N 0.263 120.292 119.914 0.191 0.000 2.960 461 V HA 0.534 4.652 4.120 -0.002 0.000 0.315 461 V C 0.287 176.541 176.094 0.266 0.000 1.087 461 V CA -1.297 61.139 62.300 0.226 0.000 0.982 461 V CB 1.520 33.453 31.823 0.183 0.000 1.039 461 V HN 0.555 nan 8.190 nan 0.000 0.437 462 I N 2.585 123.314 120.570 0.264 0.000 2.505 462 I HA 0.291 4.459 4.170 -0.002 0.000 0.287 462 I C 0.482 176.909 176.117 0.518 0.000 1.104 462 I CA 0.724 62.199 61.300 0.293 0.000 1.387 462 I CB 0.296 38.274 38.000 -0.036 0.000 1.404 462 I HN 0.828 nan 8.210 nan 0.000 0.528 463 E N 6.466 126.928 120.200 0.438 0.000 2.238 463 E HA 0.225 4.573 4.350 -0.002 0.000 0.267 463 E C -0.957 175.811 176.600 0.281 0.000 0.887 463 E CA -0.767 55.818 56.400 0.308 0.000 0.769 463 E CB 1.534 31.388 29.700 0.256 0.000 1.187 463 E HN 0.494 nan 8.360 nan 0.000 0.416 464 Q N 4.954 124.806 119.800 0.086 0.000 2.569 464 Q HA 0.226 4.565 4.340 -0.002 0.000 0.226 464 Q C -0.797 175.147 176.000 -0.094 0.000 1.136 464 Q CA -0.572 55.247 55.803 0.027 0.000 0.947 464 Q CB 0.368 29.107 28.738 0.002 0.000 1.218 464 Q HN 0.521 nan 8.270 nan 0.000 0.547 465 I N 2.091 122.526 120.570 -0.224 0.000 2.764 465 I HA 0.058 4.227 4.170 -0.002 0.000 0.294 465 I C 0.713 176.696 176.117 -0.224 0.000 1.045 465 I CA 1.321 62.471 61.300 -0.251 0.000 1.340 465 I CB 0.915 38.678 38.000 -0.395 0.000 1.436 465 I HN 0.950 nan 8.210 nan 0.000 0.567 466 S N 3.233 118.821 115.700 -0.187 0.000 3.687 466 S HA -0.392 4.076 4.470 -0.002 0.000 0.619 466 S C 1.147 175.509 174.600 -0.397 0.000 2.483 466 S CA 1.927 59.988 58.200 -0.232 0.000 4.088 466 S CB -2.069 61.013 63.200 -0.196 0.000 0.326 466 S HN 1.205 nan 8.310 nan 0.000 0.982 467 T N -0.439 113.804 114.554 -0.519 0.000 3.056 467 T HA 0.203 4.552 4.350 -0.002 0.000 0.241 467 T C 1.398 175.687 174.700 -0.685 0.000 1.006 467 T CA 0.903 62.461 62.100 -0.903 0.000 1.115 467 T CB -0.617 67.593 68.868 -1.097 0.000 0.939 467 T HN 0.843 nan 8.240 nan 0.000 0.462 468 N N 0.681 119.192 118.700 -0.316 0.000 2.415 468 N HA 0.169 4.907 4.740 -0.002 0.000 0.174 468 N C 0.604 176.108 175.510 -0.010 0.000 1.048 468 N CA 0.052 53.067 53.050 -0.059 0.000 0.895 468 N CB -0.079 38.439 38.487 0.051 0.000 1.036 468 N HN 0.411 nan 8.380 nan 0.000 0.449 469 K N 1.024 121.380 120.400 -0.073 0.000 2.185 469 K HA 0.361 4.680 4.320 -0.002 0.000 0.271 469 K C -0.874 175.691 176.600 -0.059 0.000 1.013 469 K CA -0.594 55.658 56.287 -0.058 0.000 0.943 469 K CB 1.262 33.695 32.500 -0.112 0.000 0.998 469 K HN -0.008 nan 8.250 nan 0.000 0.468 470 V N 3.161 123.077 119.914 0.003 0.000 2.686 470 V HA 0.569 4.688 4.120 -0.002 0.000 0.306 470 V C -1.152 175.027 176.094 0.141 0.000 1.065 470 V CA -0.396 61.948 62.300 0.073 0.000 0.894 470 V CB 1.333 33.251 31.823 0.157 0.000 1.004 470 V HN 1.093 nan 8.190 nan 0.000 0.424 471 H N 4.140 123.300 119.070 0.150 0.000 2.931 471 H HA 0.737 5.292 4.556 -0.002 0.000 0.331 471 H C -1.396 174.070 175.328 0.230 0.000 1.273 471 H CA -1.452 54.704 56.048 0.181 0.000 1.171 471 H CB 2.004 31.886 29.762 0.201 0.000 1.898 471 H HN 0.597 nan 8.280 nan 0.000 0.562 472 I N 1.131 121.887 120.570 0.311 0.000 2.385 472 I HA 0.343 4.512 4.170 -0.002 0.000 0.294 472 I C -0.903 175.302 176.117 0.147 0.000 0.988 472 I CA -0.196 61.239 61.300 0.225 0.000 1.265 472 I CB 0.866 38.979 38.000 0.188 0.000 1.388 472 I HN 0.549 nan 8.210 nan 0.000 0.480 473 F N 2.512 122.434 119.950 -0.046 0.000 2.641 473 F HA 0.235 4.760 4.527 -0.002 0.000 0.308 473 F C 0.501 176.291 175.800 -0.017 0.000 1.105 473 F CA -0.520 57.421 58.000 -0.099 0.000 0.964 473 F CB 1.781 40.692 39.000 -0.148 0.000 1.294 473 F HN 0.248 nan 8.300 nan 0.000 0.442 474 S N 2.651 118.309 115.700 -0.070 0.000 2.563 474 S HA -0.058 4.411 4.470 -0.002 0.000 0.294 474 S C -0.294 174.407 174.600 0.168 0.000 1.279 474 S CA 0.101 58.317 58.200 0.026 0.000 1.069 474 S CB -0.159 63.013 63.200 -0.046 0.000 0.828 474 S HN 0.557 nan 8.310 nan 0.000 0.497 475 N N 1.606 120.381 118.700 0.125 0.000 2.530 475 N HA 0.190 4.929 4.740 -0.002 0.000 0.273 475 N C -0.130 175.447 175.510 0.112 0.000 1.173 475 N CA -0.159 52.966 53.050 0.125 0.000 0.967 475 N CB 0.623 39.173 38.487 0.105 0.000 1.109 475 N HN 0.407 nan 8.380 nan 0.000 0.453 476 S N 0.830 116.595 115.700 0.108 0.000 2.941 476 S HA 0.168 4.637 4.470 -0.002 0.000 0.248 476 S C -0.996 173.677 174.600 0.122 0.000 0.962 476 S CA -0.716 57.548 58.200 0.106 0.000 1.092 476 S CB -0.309 62.951 63.200 0.099 0.000 1.113 476 S HN 0.655 nan 8.310 nan 0.000 0.512 477 D N 2.205 122.673 120.400 0.114 0.000 2.686 477 D HA -0.167 4.471 4.640 -0.002 0.000 0.235 477 D C -0.051 176.371 176.300 0.204 0.000 1.160 477 D CA 1.249 55.335 54.000 0.144 0.000 0.645 477 D CB -1.186 39.852 40.800 0.397 0.000 1.039 477 D HN 0.769 nan 8.370 nan 0.000 0.423 478 K N -0.501 119.951 120.400 0.087 0.000 2.123 478 K HA 0.512 4.831 4.320 -0.002 0.000 0.248 478 K C 1.151 177.789 176.600 0.063 0.000 0.969 478 K CA -0.915 55.432 56.287 0.100 0.000 0.882 478 K CB 1.856 34.356 32.500 0.001 0.000 1.080 478 K HN -0.217 nan 8.250 nan 0.000 0.441 479 E N 1.214 121.414 120.200 -0.000 0.000 2.048 479 E HA -0.290 4.059 4.350 -0.002 0.000 0.202 479 E C 1.480 177.949 176.600 -0.218 0.000 1.021 479 E CA 2.166 58.510 56.400 -0.095 0.000 0.825 479 E CB -0.203 29.350 29.700 -0.245 0.000 0.756 479 E HN 0.764 nan 8.360 nan 0.000 0.454 480 N N 0.758 119.303 118.700 -0.257 0.000 2.585 480 N HA -0.198 4.541 4.740 -0.002 0.000 0.188 480 N C 1.098 176.384 175.510 -0.373 0.000 1.102 480 N CA 1.072 53.923 53.050 -0.332 0.000 0.920 480 N CB -0.208 38.153 38.487 -0.211 0.000 0.963 480 N HN 0.269 nan 8.380 nan 0.000 0.447 481 Q N -0.490 119.150 119.800 -0.266 0.000 2.360 481 Q HA 0.229 4.567 4.340 -0.002 0.000 0.202 481 Q C -0.526 175.276 176.000 -0.330 0.000 0.915 481 Q CA 0.047 55.726 55.803 -0.207 0.000 0.943 481 Q CB 0.924 29.606 28.738 -0.094 0.000 1.064 481 Q HN 0.180 nan 8.270 nan 0.000 0.511 482 V N 0.327 119.957 119.914 -0.474 0.000 2.628 482 V HA 0.362 4.481 4.120 -0.002 0.000 0.306 482 V C -1.142 174.643 176.094 -0.516 0.000 1.045 482 V CA -0.751 61.300 62.300 -0.414 0.000 0.905 482 V CB 1.394 32.991 31.823 -0.376 0.000 0.997 482 V HN 0.181 nan 8.190 nan 0.000 0.436 483 W N 2.062 123.354 121.300 -0.014 0.000 2.706 483 W HA 0.559 5.218 4.660 -0.002 0.000 0.346 483 W C -0.065 176.505 176.519 0.085 0.000 1.071 483 W CA -0.510 56.847 57.345 0.020 0.000 1.206 483 W CB 1.435 30.878 29.460 -0.028 0.000 1.413 483 W HN 0.486 nan 8.180 nan 0.000 0.542 484 N N 1.629 120.540 118.700 0.352 0.000 2.476 484 N HA 0.409 5.148 4.740 -0.002 0.000 0.257 484 N C -1.710 173.967 175.510 0.278 0.000 0.970 484 N CA -0.370 52.847 53.050 0.279 0.000 0.938 484 N CB 0.543 39.148 38.487 0.196 0.000 1.144 484 N HN 0.217 nan 8.380 nan 0.000 0.500 485 L N 4.123 125.534 121.223 0.313 0.000 2.260 485 L HA 0.444 4.783 4.340 -0.002 0.000 0.289 485 L C -0.445 176.640 176.870 0.358 0.000 1.057 485 L CA -0.534 54.469 54.840 0.273 0.000 0.811 485 L CB 0.474 42.577 42.059 0.073 0.000 1.184 485 L HN 0.562 nan 8.230 nan 0.000 0.429 486 I N 4.277 125.040 120.570 0.322 0.000 2.382 486 I HA 0.330 4.499 4.170 -0.002 0.000 0.286 486 I C -0.899 175.323 176.117 0.176 0.000 1.002 486 I CA -0.595 60.853 61.300 0.248 0.000 1.135 486 I CB 1.006 39.095 38.000 0.148 0.000 1.288 486 I HN 0.454 nan 8.210 nan 0.000 0.448 487 Y N 7.905 128.125 120.300 -0.133 0.000 2.359 487 Y HA 0.320 4.869 4.550 -0.002 0.000 0.330 487 Y C 0.113 175.866 175.900 -0.244 0.000 1.143 487 Y CA 0.033 57.777 58.100 -0.593 0.000 1.318 487 Y CB 0.501 38.541 38.460 -0.702 0.000 1.234 487 Y HN 0.710 nan 8.280 nan 0.000 0.522 488 N N 7.876 126.175 118.700 -0.667 0.000 2.426 488 N HA 0.209 4.948 4.740 -0.002 0.000 0.257 488 N C -2.281 172.615 175.510 -1.024 0.000 1.002 488 N CA -1.925 50.777 53.050 -0.579 0.000 0.942 488 N CB 1.878 40.160 38.487 -0.342 0.000 1.112 488 N HN 0.442 nan 8.380 nan 0.000 0.499 489 P HA -0.044 nan 4.420 nan 0.000 0.218 489 P C 1.326 178.395 177.300 -0.385 0.000 1.149 489 P CA 0.755 63.591 63.100 -0.441 0.000 0.817 489 P CB 0.407 32.030 31.700 -0.128 0.000 0.785 490 I N -2.032 118.315 120.570 -0.371 0.000 2.584 490 I HA -0.043 4.126 4.170 -0.002 0.000 0.255 490 I C 1.809 177.703 176.117 -0.372 0.000 1.145 490 I CA 0.916 62.031 61.300 -0.308 0.000 1.462 490 I CB -1.459 36.392 38.000 -0.248 0.000 1.102 490 I HN -0.048 nan 8.210 nan 0.000 0.433 491 L N 1.278 122.184 121.223 -0.529 0.000 2.418 491 L HA 0.059 4.398 4.340 -0.002 0.000 0.218 491 L C 0.928 177.446 176.870 -0.587 0.000 1.125 491 L CA 0.576 55.019 54.840 -0.661 0.000 0.835 491 L CB -0.661 40.772 42.059 -1.043 0.000 0.953 491 L HN 0.276 nan 8.230 nan 0.000 0.454 492 K N -1.199 118.840 120.400 -0.602 0.000 3.071 492 K HA -0.189 4.129 4.320 -0.002 0.000 0.265 492 K C 0.184 176.616 176.600 -0.280 0.000 1.060 492 K CA 0.876 56.886 56.287 -0.462 0.000 0.767 492 K CB -2.570 29.566 32.500 -0.608 0.000 1.241 492 K HN 0.319 nan 8.250 nan 0.000 0.486 493 A N -0.205 122.322 122.820 -0.488 0.000 2.594 493 A HA 0.795 5.113 4.320 -0.002 0.000 0.291 493 A C -1.349 176.181 177.584 -0.090 0.000 1.105 493 A CA -0.890 51.075 52.037 -0.120 0.000 0.694 493 A CB 1.079 19.957 19.000 -0.203 0.000 1.291 493 A HN 0.167 nan 8.150 nan 0.000 0.410 494 Y N 0.308 120.716 120.300 0.181 0.000 2.420 494 Y HA 0.574 5.123 4.550 -0.002 0.000 0.334 494 Y C 0.435 176.377 175.900 0.070 0.000 1.094 494 Y CA -0.404 57.788 58.100 0.154 0.000 1.126 494 Y CB 1.952 40.488 38.460 0.126 0.000 1.217 494 Y HN 0.660 nan 8.280 nan 0.000 0.462 495 K N 2.990 123.423 120.400 0.056 0.000 2.211 495 K HA 0.500 4.819 4.320 -0.002 0.000 0.275 495 K C -1.227 175.416 176.600 0.072 0.000 1.024 495 K CA -0.233 55.984 56.287 -0.117 0.000 0.887 495 K CB 0.494 32.800 32.500 -0.323 0.000 1.084 495 K HN 0.601 nan 8.250 nan 0.000 0.463 496 I N 5.532 126.136 120.570 0.056 0.000 2.310 496 I HA 0.177 4.346 4.170 -0.002 0.000 0.287 496 I C -0.364 175.853 176.117 0.167 0.000 1.073 496 I CA -0.455 60.840 61.300 -0.008 0.000 1.216 496 I CB 0.766 38.540 38.000 -0.376 0.000 1.415 496 I HN 0.363 nan 8.210 nan 0.000 0.480 497 K N 4.491 125.080 120.400 0.314 0.000 2.164 497 K HA 0.450 4.769 4.320 -0.002 0.000 0.258 497 K C 0.170 177.049 176.600 0.466 0.000 0.951 497 K CA -0.670 55.839 56.287 0.370 0.000 0.844 497 K CB 1.889 34.512 32.500 0.204 0.000 1.099 497 K HN 0.589 nan 8.250 nan 0.000 0.435 498 S N 1.668 117.541 115.700 0.288 0.000 2.589 498 S HA 0.068 4.537 4.470 -0.002 0.000 0.265 498 S C 0.889 175.392 174.600 -0.163 0.000 1.342 498 S CA -0.523 57.495 58.200 -0.302 0.000 1.005 498 S CB 0.555 63.480 63.200 -0.458 0.000 0.909 498 S HN 0.521 nan 8.310 nan 0.000 0.555 499 L N 0.770 121.823 121.223 -0.285 0.000 2.168 499 L HA 0.267 4.606 4.340 -0.002 0.000 0.203 499 L C 2.435 179.162 176.870 -0.239 0.000 1.078 499 L CA 1.489 56.234 54.840 -0.160 0.000 0.780 499 L CB -0.892 41.120 42.059 -0.079 0.000 0.939 499 L HN 0.801 nan 8.230 nan 0.000 0.451 500 K N -0.520 119.652 120.400 -0.379 0.000 2.147 500 K HA -0.115 4.203 4.320 -0.002 0.000 0.205 500 K C -0.411 175.633 176.600 -0.927 0.000 1.049 500 K CA 1.400 57.297 56.287 -0.649 0.000 0.936 500 K CB -0.085 31.982 32.500 -0.722 0.000 0.722 500 K HN 0.268 nan 8.250 nan 0.000 0.446 501 Y N -0.704 119.529 120.300 -0.112 0.000 2.705 501 Y HA 0.292 4.840 4.550 -0.002 0.000 0.355 501 Y C -2.087 173.877 175.900 0.106 0.000 1.039 501 Y CA -2.622 55.469 58.100 -0.016 0.000 1.233 501 Y CB 1.613 39.998 38.460 -0.126 0.000 1.103 501 Y HN 0.028 nan 8.280 nan 0.000 0.624 502 P HA -0.166 nan 4.420 nan 0.000 0.217 502 P C 1.087 178.482 177.300 0.158 0.000 1.148 502 P CA 1.480 64.655 63.100 0.126 0.000 0.828 502 P CB 0.434 32.173 31.700 0.065 0.000 0.783 503 N N -1.918 116.905 118.700 0.206 0.000 2.571 503 N HA -0.053 4.685 4.740 -0.002 0.000 0.189 503 N C -0.141 175.367 175.510 -0.005 0.000 1.154 503 N CA 0.658 53.765 53.050 0.094 0.000 0.907 503 N CB -0.201 38.325 38.487 0.065 0.000 0.977 503 N HN 0.323 nan 8.380 nan 0.000 0.449 504 Y N -0.804 119.558 120.300 0.104 0.000 2.485 504 Y HA 0.390 4.939 4.550 -0.002 0.000 0.345 504 Y C 0.080 176.072 175.900 0.154 0.000 0.998 504 Y CA -0.991 57.181 58.100 0.119 0.000 1.059 504 Y CB 1.848 40.385 38.460 0.127 0.000 1.234 504 Y HN -0.210 nan 8.280 nan 0.000 0.461 505 S N 1.815 117.691 115.700 0.294 0.000 2.540 505 S HA 0.436 4.905 4.470 -0.002 0.000 0.275 505 S C -1.448 173.310 174.600 0.264 0.000 1.123 505 S CA -0.926 57.428 58.200 0.257 0.000 0.907 505 S CB 1.806 65.079 63.200 0.121 0.000 1.081 505 S HN 0.565 nan 8.310 nan 0.000 0.476 506 L N 2.581 123.925 121.223 0.201 0.000 2.615 506 L HA 0.466 4.805 4.340 -0.002 0.000 0.271 506 L C 0.326 177.417 176.870 0.368 0.000 1.183 506 L CA 0.972 55.876 54.840 0.107 0.000 0.933 506 L CB -0.535 41.315 42.059 -0.348 0.000 1.199 506 L HN 1.030 nan 8.230 nan 0.000 0.487 507 A N 4.615 127.667 122.820 0.386 0.000 2.437 507 A HA 0.680 4.998 4.320 -0.002 0.000 0.288 507 A C -1.868 176.032 177.584 0.528 0.000 1.201 507 A CA -0.605 51.689 52.037 0.428 0.000 0.795 507 A CB 0.738 19.906 19.000 0.280 0.000 1.359 507 A HN 0.687 nan 8.150 nan 0.000 0.435 508 W N 1.038 122.443 121.300 0.176 0.000 2.393 508 W HA 0.462 5.121 4.660 -0.002 0.000 0.315 508 W C -0.752 175.811 176.519 0.073 0.000 1.009 508 W CA -0.788 56.635 57.345 0.131 0.000 1.313 508 W CB 1.366 30.850 29.460 0.041 0.000 1.269 508 W HN 0.690 nan 8.180 nan 0.000 0.420 509 D N 2.838 123.060 120.400 -0.297 0.000 2.736 509 D HA -0.061 4.578 4.640 -0.002 0.000 0.228 509 D C 1.609 177.465 176.300 -0.739 0.000 1.077 509 D CA 0.763 54.541 54.000 -0.371 0.000 1.096 509 D CB 0.117 40.801 40.800 -0.192 0.000 1.138 509 D HN 0.299 nan 8.370 nan 0.000 0.461 510 S N 1.016 116.189 115.700 -0.879 0.000 2.442 510 S HA -0.179 4.290 4.470 -0.002 0.000 0.236 510 S C 1.604 175.901 174.600 -0.506 0.000 1.007 510 S CA 0.412 57.998 58.200 -1.024 0.000 0.965 510 S CB -0.067 62.799 63.200 -0.556 0.000 0.773 510 S HN 0.379 nan 8.310 nan 0.000 0.504 511 N N 2.002 120.496 118.700 -0.344 0.000 2.207 511 N HA 0.080 4.819 4.740 -0.002 0.000 0.182 511 N C 1.230 176.630 175.510 -0.183 0.000 1.020 511 N CA 1.124 54.043 53.050 -0.217 0.000 0.858 511 N CB -0.393 37.987 38.487 -0.177 0.000 0.991 511 N HN 0.490 nan 8.380 nan 0.000 0.427 512 N N -0.824 117.757 118.700 -0.199 0.000 2.289 512 N HA 0.001 4.740 4.740 -0.002 0.000 0.109 512 N C 1.390 176.804 175.510 -0.160 0.000 1.647 512 N CA 1.125 54.090 53.050 -0.142 0.000 1.181 512 N CB -0.527 37.905 38.487 -0.092 0.000 1.080 512 N HN 0.022 nan 8.380 nan 0.000 0.310 513 T N -0.243 114.248 114.554 -0.106 0.000 2.656 513 T HA -0.359 3.990 4.350 -0.002 0.000 0.262 513 T C 0.641 175.315 174.700 -0.044 0.000 1.070 513 T CA 2.430 64.500 62.100 -0.050 0.000 1.160 513 T CB -0.605 68.258 68.868 -0.007 0.000 0.855 513 T HN 0.607 nan 8.240 nan 0.000 0.456 514 R N 0.282 120.663 120.500 -0.199 0.000 3.936 514 R HA -0.126 4.213 4.340 -0.002 0.000 0.366 514 R C 0.407 176.917 176.300 0.350 0.000 1.158 514 R CA 0.857 56.910 56.100 -0.078 0.000 0.969 514 R CB -2.812 27.608 30.300 0.200 0.000 1.504 514 R HN 0.644 nan 8.270 nan 0.000 0.538 515 T N 0.109 114.772 114.554 0.181 0.000 2.824 515 T HA 0.531 4.880 4.350 -0.002 0.000 0.277 515 T C 0.301 175.191 174.700 0.317 0.000 0.975 515 T CA -0.585 61.667 62.100 0.253 0.000 0.966 515 T CB 0.646 69.606 68.868 0.154 0.000 1.054 515 T HN 0.095 nan 8.240 nan 0.000 0.533 516 I N 3.963 124.708 120.570 0.292 0.000 2.304 516 I HA 0.347 4.516 4.170 -0.002 0.000 0.291 516 I C 0.539 176.772 176.117 0.193 0.000 1.018 516 I CA -0.389 61.084 61.300 0.289 0.000 1.260 516 I CB 0.282 38.405 38.000 0.205 0.000 1.390 516 I HN 0.419 nan 8.210 nan 0.000 0.475 517 V N 3.544 123.582 119.914 0.206 0.000 3.181 517 V HA 1.022 5.141 4.120 -0.002 0.000 0.314 517 V C -0.095 176.122 176.094 0.204 0.000 1.173 517 V CA -0.966 61.434 62.300 0.166 0.000 1.052 517 V CB 1.658 33.561 31.823 0.134 0.000 1.123 517 V HN 0.727 nan 8.190 nan 0.000 0.454 518 A N 0.127 123.082 122.820 0.225 0.000 2.340 518 A HA 1.050 5.368 4.320 -0.002 0.000 0.331 518 A C -0.098 177.708 177.584 0.370 0.000 1.140 518 A CA -0.180 52.055 52.037 0.329 0.000 0.801 518 A CB 1.288 20.514 19.000 0.378 0.000 1.234 518 A HN 2.487 nan 8.150 nan 0.000 0.469 519 A N 0.475 123.465 122.820 0.284 0.000 2.594 519 A HA 0.787 5.105 4.320 -0.002 0.000 0.295 519 A C -0.033 177.477 177.584 -0.124 0.000 1.071 519 A CA 0.158 52.241 52.037 0.078 0.000 0.685 519 A CB 0.700 19.776 19.000 0.126 0.000 1.285 519 A HN 1.967 nan 8.150 nan 0.000 0.405 520 T N -0.554 113.810 114.554 -0.317 0.000 2.816 520 T HA 0.714 5.063 4.350 -0.002 0.000 0.282 520 T C 0.776 175.410 174.700 -0.110 0.000 0.993 520 T CA 0.934 62.867 62.100 -0.278 0.000 0.994 520 T CB 0.902 69.558 68.868 -0.353 0.000 1.025 520 T HN 2.785 nan 8.240 nan 0.000 0.529 521 G N 0.905 109.609 108.800 -0.160 0.000 2.757 521 G HA2 -0.064 3.895 3.960 -0.002 0.000 0.638 521 G HA3 -0.064 3.895 3.960 -0.002 0.000 0.638 521 G C -0.641 174.061 174.900 -0.330 0.000 1.344 521 G CA -0.064 44.857 45.100 -0.298 0.000 0.855 521 G HN 1.043 nan 8.290 nan 0.000 0.537 522 D N -0.313 119.789 120.400 -0.496 0.000 2.943 522 D HA 0.521 5.160 4.640 -0.002 0.000 0.347 522 D C -0.191 176.010 176.300 -0.165 0.000 1.305 522 D CA -0.319 53.550 54.000 -0.219 0.000 0.870 522 D CB -0.202 40.544 40.800 -0.091 0.000 1.081 522 D HN 0.425 nan 8.370 nan 0.000 0.492 523 Y N 0.208 120.580 120.300 0.118 0.000 2.307 523 Y HA 0.243 4.791 4.550 -0.002 0.000 0.324 523 Y C 1.751 177.782 175.900 0.219 0.000 1.238 523 Y CA -0.808 57.365 58.100 0.123 0.000 1.280 523 Y CB 0.586 39.089 38.460 0.071 0.000 1.248 523 Y HN 0.010 nan 8.280 nan 0.000 0.508 524 N N 1.106 120.011 118.700 0.341 0.000 2.289 524 N HA -0.150 4.589 4.740 -0.002 0.000 0.184 524 N C 0.815 176.480 175.510 0.259 0.000 1.016 524 N CA 1.465 54.696 53.050 0.302 0.000 0.872 524 N CB -0.405 38.225 38.487 0.239 0.000 0.973 524 N HN 0.737 nan 8.380 nan 0.000 0.433 525 D N -0.124 120.402 120.400 0.210 0.000 2.350 525 D HA -0.117 4.521 4.640 -0.002 0.000 0.216 525 D C 0.882 177.214 176.300 0.054 0.000 0.968 525 D CA 0.686 54.767 54.000 0.134 0.000 0.894 525 D CB -0.329 40.602 40.800 0.219 0.000 0.909 525 D HN 0.310 nan 8.370 nan 0.000 0.520 526 Q N -1.064 118.817 119.800 0.135 0.000 2.246 526 Q HA 0.158 4.497 4.340 -0.002 0.000 0.202 526 Q C -0.755 175.199 176.000 -0.076 0.000 0.883 526 Q CA -0.099 55.764 55.803 0.100 0.000 0.952 526 Q CB 0.287 29.076 28.738 0.084 0.000 1.078 526 Q HN 0.385 nan 8.270 nan 0.000 0.493 527 Y N -0.770 119.438 120.300 -0.153 0.000 2.377 527 Y HA 0.389 4.938 4.550 -0.002 0.000 0.339 527 Y C -0.895 174.819 175.900 -0.311 0.000 1.011 527 Y CA -0.911 57.111 58.100 -0.130 0.000 1.093 527 Y CB 1.166 39.477 38.460 -0.248 0.000 1.201 527 Y HN 0.003 nan 8.280 nan 0.000 0.455 528 W N 4.245 125.649 121.300 0.173 0.000 2.839 528 W HA 0.654 5.313 4.660 -0.002 0.000 0.334 528 W C -1.494 175.142 176.519 0.195 0.000 1.064 528 W CA -0.694 56.728 57.345 0.129 0.000 1.236 528 W CB 1.177 30.640 29.460 0.004 0.000 1.405 528 W HN 0.215 nan 8.180 nan 0.000 0.478 529 L N 4.540 125.988 121.223 0.374 0.000 2.326 529 L HA 0.497 4.836 4.340 -0.002 0.000 0.278 529 L C 0.020 177.051 176.870 0.268 0.000 1.092 529 L CA -0.390 54.649 54.840 0.331 0.000 0.810 529 L CB 0.490 42.691 42.059 0.236 0.000 1.153 529 L HN 0.283 nan 8.230 nan 0.000 0.439 530 I N 3.002 123.721 120.570 0.248 0.000 2.466 530 I HA 0.258 4.427 4.170 -0.002 0.000 0.279 530 I C -0.700 175.523 176.117 0.176 0.000 1.033 530 I CA -0.429 60.932 61.300 0.102 0.000 1.123 530 I CB 1.295 39.166 38.000 -0.214 0.000 1.237 530 I HN 0.631 nan 8.210 nan 0.000 0.460 531 E N 6.107 126.404 120.200 0.161 0.000 2.073 531 E HA 0.354 4.703 4.350 -0.002 0.000 0.269 531 E C -0.319 176.308 176.600 0.045 0.000 0.917 531 E CA -0.811 55.646 56.400 0.094 0.000 0.757 531 E CB 1.823 31.518 29.700 -0.009 0.000 1.111 531 E HN 0.412 nan 8.360 nan 0.000 0.410 532 R N 3.226 123.712 120.500 -0.024 0.000 2.538 532 R HA 0.022 4.361 4.340 -0.002 0.000 0.282 532 R C -0.175 175.953 176.300 -0.287 0.000 1.009 532 R CA 0.281 56.140 56.100 -0.402 0.000 1.063 532 R CB 0.331 30.438 30.300 -0.321 0.000 0.945 532 R HN 0.501 nan 8.270 nan 0.000 0.414 533 N N 2.448 120.943 118.700 -0.341 0.000 2.502 533 N HA 0.048 4.787 4.740 -0.002 0.000 0.280 533 N C 0.336 175.737 175.510 -0.181 0.000 1.223 533 N CA -0.569 52.364 53.050 -0.196 0.000 0.966 533 N CB 0.905 39.304 38.487 -0.147 0.000 1.203 533 N HN 0.582 nan 8.380 nan 0.000 0.565 534 E N 0.125 120.256 120.200 -0.115 0.000 2.209 534 E HA -0.174 4.175 4.350 -0.002 0.000 0.196 534 E C -0.064 176.481 176.600 -0.092 0.000 0.993 534 E CA 1.043 57.387 56.400 -0.094 0.000 0.819 534 E CB -0.077 29.588 29.700 -0.058 0.000 0.745 534 E HN 0.542 nan 8.360 nan 0.000 0.477 535 D N -0.334 120.007 120.400 -0.098 0.000 2.460 535 D HA 0.020 4.658 4.640 -0.002 0.000 0.229 535 D C -0.172 176.068 176.300 -0.101 0.000 1.170 535 D CA -0.219 53.733 54.000 -0.081 0.000 0.827 535 D CB -0.646 40.115 40.800 -0.065 0.000 0.973 535 D HN 0.125 nan 8.370 nan 0.000 0.496 536 N N -0.545 118.061 118.700 -0.156 0.000 2.857 536 N HA -0.222 4.517 4.740 -0.002 0.000 0.242 536 N C 0.030 175.345 175.510 -0.326 0.000 0.983 536 N CA 1.351 54.268 53.050 -0.222 0.000 0.934 536 N CB -1.321 37.109 38.487 -0.095 0.000 1.115 536 N HN 0.571 nan 8.380 nan 0.000 0.593 537 T N -2.212 112.196 114.554 -0.243 0.000 2.726 537 T HA 0.386 4.735 4.350 -0.002 0.000 0.294 537 T C -0.193 174.288 174.700 -0.366 0.000 1.013 537 T CA 0.019 62.023 62.100 -0.160 0.000 0.996 537 T CB 0.750 69.580 68.868 -0.064 0.000 1.016 537 T HN 0.169 nan 8.240 nan 0.000 0.529 538 Y N -0.812 119.501 120.300 0.022 0.000 2.442 538 Y HA 0.492 5.041 4.550 -0.002 0.000 0.344 538 Y C -0.180 175.766 175.900 0.076 0.000 0.976 538 Y CA -1.601 56.507 58.100 0.013 0.000 1.040 538 Y CB 1.485 39.928 38.460 -0.027 0.000 1.228 538 Y HN 0.427 nan 8.280 nan 0.000 0.451 539 I N 4.683 125.352 120.570 0.166 0.000 2.352 539 I HA 0.182 4.351 4.170 -0.002 0.000 0.290 539 I C 0.001 176.205 176.117 0.145 0.000 1.036 539 I CA -0.741 60.644 61.300 0.141 0.000 1.336 539 I CB 0.394 38.368 38.000 -0.043 0.000 1.407 539 I HN 0.539 nan 8.210 nan 0.000 0.497 540 I N 6.771 127.446 120.570 0.175 0.000 2.313 540 I HA 0.275 4.444 4.170 -0.002 0.000 0.286 540 I C 0.686 176.963 176.117 0.266 0.000 1.091 540 I CA -0.354 60.979 61.300 0.055 0.000 1.216 540 I CB 0.126 37.922 38.000 -0.340 0.000 1.434 540 I HN 0.468 nan 8.210 nan 0.000 0.487 541 R N 5.595 126.263 120.500 0.281 0.000 2.265 541 R HA 0.224 4.562 4.340 -0.002 0.000 0.319 541 R C 0.142 176.561 176.300 0.198 0.000 1.006 541 R CA -0.535 55.686 56.100 0.200 0.000 0.880 541 R CB 0.756 31.045 30.300 -0.019 0.000 1.077 541 R HN 0.567 nan 8.270 nan 0.000 0.454 542 N N 3.032 121.665 118.700 -0.111 0.000 2.395 542 N HA -0.167 4.571 4.740 -0.002 0.000 0.246 542 N C 0.274 175.590 175.510 -0.323 0.000 1.246 542 N CA 0.433 53.062 53.050 -0.701 0.000 0.879 542 N CB 0.536 38.456 38.487 -0.945 0.000 1.098 542 N HN 0.633 nan 8.380 nan 0.000 0.444 543 Y N 2.514 122.568 120.300 -0.411 0.000 2.286 543 Y HA -0.087 4.462 4.550 -0.002 0.000 0.293 543 Y C 2.157 177.960 175.900 -0.161 0.000 1.124 543 Y CA 1.427 59.398 58.100 -0.214 0.000 1.178 543 Y CB 0.018 38.392 38.460 -0.143 0.000 1.010 543 Y HN 0.748 nan 8.280 nan 0.000 0.536 544 E N 0.769 120.904 120.200 -0.109 0.000 1.998 544 E HA -0.117 4.232 4.350 -0.002 0.000 0.195 544 E C -0.104 176.438 176.600 -0.096 0.000 0.994 544 E CA 1.215 57.573 56.400 -0.070 0.000 0.835 544 E CB -0.339 29.412 29.700 0.084 0.000 0.786 544 E HN 0.312 nan 8.360 nan 0.000 0.467 545 N N 1.239 119.889 118.700 -0.084 0.000 2.414 545 N HA 0.124 4.862 4.740 -0.002 0.000 0.256 545 N C -0.058 175.331 175.510 -0.201 0.000 1.029 545 N CA -0.066 52.932 53.050 -0.086 0.000 0.948 545 N CB 1.046 39.507 38.487 -0.042 0.000 1.102 545 N HN 0.137 nan 8.380 nan 0.000 0.496 546 R N 1.334 121.720 120.500 -0.190 0.000 2.319 546 R HA 0.055 4.393 4.340 -0.002 0.000 0.204 546 R C 1.220 177.393 176.300 -0.211 0.000 0.954 546 R CA 0.402 56.291 56.100 -0.352 0.000 1.066 546 R CB 0.271 30.174 30.300 -0.662 0.000 0.991 546 R HN 0.435 nan 8.270 nan 0.000 0.486 547 K N 0.222 120.594 120.400 -0.046 0.000 2.228 547 K HA 0.045 4.364 4.320 -0.002 0.000 0.202 547 K C 0.532 177.219 176.600 0.145 0.000 1.051 547 K CA 0.595 56.993 56.287 0.185 0.000 0.960 547 K CB 0.387 32.918 32.500 0.052 0.000 0.743 547 K HN 0.028 nan 8.250 nan 0.000 0.458 548 I N 3.262 123.764 120.570 -0.113 0.000 2.325 548 I HA 0.092 4.261 4.170 -0.002 0.000 0.291 548 I C 0.371 176.425 176.117 -0.106 0.000 1.019 548 I CA -0.651 60.502 61.300 -0.245 0.000 1.302 548 I CB 0.754 38.244 38.000 -0.849 0.000 1.401 548 I HN -0.176 nan 8.210 nan 0.000 0.485 549 V N 5.328 125.303 119.914 0.101 0.000 3.158 549 V HA 0.583 4.702 4.120 -0.002 0.000 0.315 549 V C -0.433 175.855 176.094 0.324 0.000 1.148 549 V CA -1.211 61.237 62.300 0.245 0.000 1.042 549 V CB 2.224 34.186 31.823 0.231 0.000 1.101 549 V HN 0.424 nan 8.190 nan 0.000 0.448 550 L N 2.880 124.288 121.223 0.308 0.000 2.385 550 L HA 0.487 4.826 4.340 -0.002 0.000 0.281 550 L C -0.225 176.974 176.870 0.548 0.000 1.106 550 L CA 0.855 55.818 54.840 0.205 0.000 0.856 550 L CB -0.209 41.640 42.059 -0.349 0.000 1.186 550 L HN 0.929 nan 8.230 nan 0.000 0.453 551 D N 4.177 124.848 120.400 0.452 0.000 2.375 551 D HA 0.197 4.836 4.640 -0.002 0.000 0.247 551 D C -1.154 175.371 176.300 0.374 0.000 1.061 551 D CA -0.631 53.608 54.000 0.399 0.000 0.834 551 D CB 1.935 42.937 40.800 0.336 0.000 1.247 551 D HN 0.351 nan 8.370 nan 0.000 0.489 552 L N 3.623 125.008 121.223 0.270 0.000 2.283 552 L HA 0.262 4.600 4.340 -0.002 0.000 0.287 552 L C 0.067 176.979 176.870 0.069 0.000 1.073 552 L CA -0.126 54.828 54.840 0.190 0.000 0.822 552 L CB 0.782 42.862 42.059 0.036 0.000 1.186 552 L HN 0.302 nan 8.230 nan 0.000 0.436 553 S N 5.086 120.836 115.700 0.083 0.000 2.673 553 S HA 0.016 4.485 4.470 -0.002 0.000 0.308 553 S C 1.056 175.641 174.600 -0.026 0.000 1.246 553 S CA 0.845 59.057 58.200 0.020 0.000 1.077 553 S CB -0.501 62.733 63.200 0.056 0.000 0.814 553 S HN 0.968 nan 8.310 nan 0.000 0.503 554 N N 2.924 121.573 118.700 -0.086 0.000 2.929 554 N HA -0.217 4.522 4.740 -0.002 0.000 0.234 554 N C 0.808 176.274 175.510 -0.073 0.000 0.908 554 N CA 2.187 55.185 53.050 -0.087 0.000 0.993 554 N CB -1.716 36.740 38.487 -0.052 0.000 1.075 554 N HN 1.436 nan 8.380 nan 0.000 0.603 555 G N -1.256 107.505 108.800 -0.065 0.000 2.141 555 G HA2 -0.266 3.692 3.960 -0.002 0.000 0.242 555 G HA3 -0.266 3.692 3.960 -0.002 0.000 0.242 555 G C -0.052 174.815 174.900 -0.056 0.000 0.982 555 G CA 0.613 45.673 45.100 -0.068 0.000 0.662 555 G HN 0.977 nan 8.290 nan 0.000 0.527 556 S N 0.727 116.404 115.700 -0.037 0.000 2.448 556 S HA 0.503 4.972 4.470 -0.002 0.000 0.279 556 S C 1.520 176.105 174.600 -0.026 0.000 1.195 556 S CA 0.935 59.117 58.200 -0.029 0.000 1.051 556 S CB 0.662 63.851 63.200 -0.017 0.000 0.948 556 S HN 1.175 nan 8.310 nan 0.000 0.493 557 T N 1.941 116.471 114.554 -0.040 0.000 3.244 557 T HA 0.160 4.509 4.350 -0.002 0.000 0.254 557 T C 0.639 175.300 174.700 -0.064 0.000 1.024 557 T CA -0.357 61.718 62.100 -0.041 0.000 0.920 557 T CB -0.245 68.594 68.868 -0.047 0.000 1.042 557 T HN 0.510 nan 8.240 nan 0.000 0.572 558 T N 2.400 116.916 114.554 -0.063 0.000 2.870 558 T HA 0.101 4.450 4.350 -0.002 0.000 0.300 558 T C -0.109 174.501 174.700 -0.150 0.000 0.989 558 T CA -0.410 61.634 62.100 -0.094 0.000 1.139 558 T CB -0.064 68.766 68.868 -0.064 0.000 0.920 558 T HN 0.305 nan 8.240 nan 0.000 0.537 559 D N 3.491 123.731 120.400 -0.266 0.000 2.570 559 D HA 0.172 4.811 4.640 -0.002 0.000 0.243 559 D C 1.327 177.398 176.300 -0.381 0.000 1.171 559 D CA 1.915 55.590 54.000 -0.543 0.000 0.879 559 D CB 0.362 40.708 40.800 -0.756 0.000 1.143 559 D HN 0.969 nan 8.370 nan 0.000 0.511 560 G N 3.072 111.709 108.800 -0.273 0.000 2.238 560 G HA2 -0.293 3.665 3.960 -0.002 0.000 0.217 560 G HA3 -0.293 3.665 3.960 -0.002 0.000 0.217 560 G C 0.627 175.601 174.900 0.124 0.000 0.996 560 G CA -0.014 45.096 45.100 0.016 0.000 0.632 560 G HN 0.607 nan 8.290 nan 0.000 0.503 561 N N 1.777 120.513 118.700 0.060 0.000 2.293 561 N HA 0.425 5.164 4.740 -0.002 0.000 0.253 561 N C 1.122 176.731 175.510 0.165 0.000 1.248 561 N CA 1.400 54.507 53.050 0.094 0.000 0.845 561 N CB 0.404 38.922 38.487 0.052 0.000 1.073 561 N HN 0.765 nan 8.380 nan 0.000 0.464 562 G N 1.615 110.510 108.800 0.159 0.000 2.599 562 G HA2 0.456 4.415 3.960 -0.002 0.000 0.264 562 G HA3 0.456 4.415 3.960 -0.002 0.000 0.264 562 G C -0.791 174.220 174.900 0.185 0.000 1.200 562 G CA -0.396 44.813 45.100 0.182 0.000 0.896 562 G HN 0.521 nan 8.290 nan 0.000 0.536 563 L N 0.216 121.554 121.223 0.193 0.000 2.319 563 L HA 0.417 4.756 4.340 -0.002 0.000 0.281 563 L C 0.103 177.107 176.870 0.224 0.000 1.005 563 L CA -0.184 54.780 54.840 0.206 0.000 0.828 563 L CB 1.655 43.806 42.059 0.153 0.000 1.227 563 L HN 0.340 nan 8.230 nan 0.000 0.415 564 L N 1.615 122.990 121.223 0.254 0.000 2.416 564 L HA 0.724 5.063 4.340 -0.002 0.000 0.262 564 L C 0.894 177.993 176.870 0.382 0.000 1.093 564 L CA -0.772 54.262 54.840 0.323 0.000 0.801 564 L CB 0.579 42.832 42.059 0.324 0.000 1.191 564 L HN 0.666 nan 8.230 nan 0.000 0.459 565 G N 0.700 109.790 108.800 0.484 0.000 2.475 565 G HA2 0.471 4.430 3.960 -0.002 0.000 0.322 565 G HA3 0.471 4.430 3.960 -0.002 0.000 0.322 565 G C -1.272 173.845 174.900 0.363 0.000 1.044 565 G CA -0.062 45.230 45.100 0.320 0.000 1.047 565 G HN 0.313 nan 8.290 nan 0.000 0.436 566 F N 1.289 121.342 119.950 0.173 0.000 2.556 566 F HA 0.509 5.035 4.527 -0.002 0.000 0.327 566 F C 0.455 176.374 175.800 0.199 0.000 1.059 566 F CA -1.376 56.742 58.000 0.197 0.000 0.953 566 F CB 2.037 41.168 39.000 0.218 0.000 1.227 566 F HN 0.451 nan 8.300 nan 0.000 0.478 567 E N 3.625 123.530 120.200 -0.493 0.000 2.417 567 E HA 0.036 4.385 4.350 -0.002 0.000 0.261 567 E C -0.839 175.893 176.600 0.220 0.000 1.000 567 E CA -0.274 56.040 56.400 -0.143 0.000 0.919 567 E CB 0.301 29.811 29.700 -0.316 0.000 0.955 567 E HN 0.452 nan 8.360 nan 0.000 0.455 568 F N 5.941 126.015 119.950 0.207 0.000 2.590 568 F HA 0.016 4.541 4.527 -0.002 0.000 0.389 568 F C 0.398 176.256 175.800 0.098 0.000 1.049 568 F CA 0.614 58.658 58.000 0.073 0.000 1.199 568 F CB 0.234 39.119 39.000 -0.193 0.000 1.058 568 F HN 0.630 nan 8.300 nan 0.000 0.556 569 H N 2.820 121.593 119.070 -0.495 0.000 3.540 569 H HA 0.335 4.890 4.556 -0.002 0.000 0.259 569 H C 1.196 176.184 175.328 -0.566 0.000 1.197 569 H CA -0.068 55.632 56.048 -0.579 0.000 1.136 569 H CB -0.053 29.629 29.762 -0.134 0.000 1.605 569 H HN 0.858 nan 8.280 nan 0.000 0.657 570 G N 0.713 109.005 108.800 -0.845 0.000 2.168 570 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.257 570 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.257 570 G C 0.815 175.514 174.900 -0.336 0.000 0.997 570 G CA 0.343 45.260 45.100 -0.305 0.000 0.708 570 G HN 0.946 nan 8.290 nan 0.000 0.520 571 G N -0.850 107.550 108.800 -0.666 0.000 2.699 571 G HA2 0.394 4.353 3.960 -0.002 0.000 0.246 571 G HA3 0.394 4.353 3.960 -0.002 0.000 0.246 571 G C 1.297 176.094 174.900 -0.171 0.000 1.219 571 G CA 0.021 45.005 45.100 -0.193 0.000 0.866 571 G HN 0.812 nan 8.290 nan 0.000 0.572 572 I N 0.467 120.976 120.570 -0.101 0.000 2.423 572 I HA -0.182 3.987 4.170 -0.002 0.000 0.254 572 I C 2.192 178.173 176.117 -0.227 0.000 1.151 572 I CA 1.426 62.639 61.300 -0.145 0.000 1.421 572 I CB -0.003 37.933 38.000 -0.106 0.000 1.079 572 I HN 0.646 nan 8.210 nan 0.000 0.431 573 N N 0.417 119.009 118.700 -0.179 0.000 2.521 573 N HA -0.174 4.565 4.740 -0.002 0.000 0.188 573 N C 1.252 176.596 175.510 -0.277 0.000 1.146 573 N CA 0.571 53.485 53.050 -0.226 0.000 0.893 573 N CB 0.032 38.462 38.487 -0.096 0.000 0.975 573 N HN 0.574 nan 8.380 nan 0.000 0.451 574 Q N -0.366 119.271 119.800 -0.273 0.000 2.189 574 Q HA 0.258 4.597 4.340 -0.002 0.000 0.223 574 Q C -0.256 175.572 176.000 -0.286 0.000 0.828 574 Q CA -0.263 55.447 55.803 -0.155 0.000 0.967 574 Q CB 0.924 29.652 28.738 -0.018 0.000 1.139 574 Q HN 0.248 nan 8.270 nan 0.000 0.497 575 R N -0.232 119.995 120.500 -0.455 0.000 2.349 575 R HA 0.343 4.682 4.340 -0.002 0.000 0.299 575 R C -1.343 174.618 176.300 -0.565 0.000 1.027 575 R CA 0.012 55.919 56.100 -0.322 0.000 0.958 575 R CB 0.856 31.044 30.300 -0.187 0.000 1.047 575 R HN -0.025 nan 8.270 nan 0.000 0.468 576 W N 2.760 124.070 121.300 0.016 0.000 2.844 576 W HA 0.473 5.132 4.660 -0.002 0.000 0.340 576 W C -0.422 176.147 176.519 0.084 0.000 1.093 576 W CA -0.636 56.720 57.345 0.017 0.000 1.212 576 W CB 1.252 30.689 29.460 -0.038 0.000 1.422 576 W HN 0.280 nan 8.180 nan 0.000 0.515 577 I N 3.891 124.659 120.570 0.330 0.000 2.337 577 I HA 0.258 4.427 4.170 -0.002 0.000 0.285 577 I C -0.436 175.816 176.117 0.225 0.000 1.041 577 I CA -0.596 60.860 61.300 0.260 0.000 1.199 577 I CB 0.281 38.384 38.000 0.173 0.000 1.370 577 I HN 0.204 nan 8.210 nan 0.000 0.470 578 I N 6.937 127.612 120.570 0.175 0.000 2.379 578 I HA 0.180 4.348 4.170 -0.002 0.000 0.290 578 I C 0.294 176.502 176.117 0.150 0.000 1.063 578 I CA 0.171 61.453 61.300 -0.030 0.000 1.351 578 I CB 0.445 38.111 38.000 -0.558 0.000 1.410 578 I HN 0.474 nan 8.210 nan 0.000 0.505 579 K N 8.577 129.138 120.400 0.269 0.000 2.426 579 K HA 0.507 4.826 4.320 -0.002 0.000 0.254 579 K C -2.676 174.113 176.600 0.314 0.000 0.936 579 K CA -1.898 54.564 56.287 0.291 0.000 0.801 579 K CB 1.978 34.606 32.500 0.213 0.000 1.139 579 K HN 0.103 nan 8.250 nan 0.000 0.424 580 P HA 0.079 nan 4.420 nan 0.000 0.269 580 P C -1.298 175.998 177.300 -0.006 0.000 1.209 580 P CA 0.044 63.039 63.100 -0.174 0.000 0.776 580 P CB 0.280 31.883 31.700 -0.162 0.000 0.876 581 F N 1.232 121.036 119.950 -0.242 0.000 2.591 581 F HA 0.575 5.101 4.527 -0.002 0.000 0.309 581 F C -1.034 174.603 175.800 -0.272 0.000 1.098 581 F CA -0.397 57.472 58.000 -0.217 0.000 0.937 581 F CB 1.879 40.749 39.000 -0.216 0.000 1.250 581 F HN 0.206 nan 8.300 nan 0.000 0.447 582 S N 5.003 120.311 115.700 -0.653 0.000 2.720 582 S HA 0.364 4.833 4.470 -0.002 0.000 0.278 582 S C -0.059 174.294 174.600 -0.412 0.000 1.172 582 S CA -0.496 57.498 58.200 -0.343 0.000 1.019 582 S CB 0.436 63.504 63.200 -0.220 0.000 1.049 582 S HN 0.594 nan 8.310 nan 0.000 0.483 583 F N 3.136 123.126 119.950 0.066 0.000 2.234 583 F HA 0.055 4.581 4.527 -0.002 0.000 0.299 583 F C 1.744 177.591 175.800 0.078 0.000 1.087 583 F CA 0.848 58.953 58.000 0.175 0.000 1.340 583 F CB -0.140 39.062 39.000 0.337 0.000 1.031 583 F HN 0.676 nan 8.300 nan 0.000 0.500 584 N N 0.012 118.658 118.700 -0.089 0.000 3.124 584 N HA 0.007 4.746 4.740 -0.002 0.000 0.284 584 N C 0.694 176.134 175.510 -0.117 0.000 1.209 584 N CA 0.460 53.317 53.050 -0.322 0.000 1.149 584 N CB -0.215 37.622 38.487 -1.083 0.000 1.434 584 N HN 0.115 nan 8.380 nan 0.000 0.529 585 S N 0.659 116.326 115.700 -0.054 0.000 2.399 585 S HA -0.069 4.400 4.470 -0.002 0.000 0.231 585 S C 1.130 175.625 174.600 -0.174 0.000 1.022 585 S CA 0.414 58.508 58.200 -0.177 0.000 0.983 585 S CB -0.582 62.509 63.200 -0.182 0.000 0.803 585 S HN 0.688 nan 8.310 nan 0.000 0.480 586 I N -0.528 119.944 120.570 -0.164 0.000 2.910 586 I HA 0.514 4.682 4.170 -0.002 0.000 0.310 586 I C -0.595 175.526 176.117 0.006 0.000 1.043 586 I CA -1.492 59.701 61.300 -0.179 0.000 1.053 586 I CB 1.677 39.393 38.000 -0.474 0.000 1.242 586 I HN 0.077 nan 8.210 nan 0.000 0.452 587 Q N 1.184 121.027 119.800 0.072 0.000 2.260 587 Q HA 0.329 4.668 4.340 -0.002 0.000 0.242 587 Q C -1.208 174.915 176.000 0.206 0.000 0.932 587 Q CA -0.849 55.043 55.803 0.149 0.000 0.891 587 Q CB 0.939 29.786 28.738 0.182 0.000 1.222 587 Q HN 0.443 nan 8.270 nan 0.000 0.453 588 D N 0.833 121.376 120.400 0.239 0.000 2.488 588 D HA 0.397 5.036 4.640 -0.002 0.000 0.238 588 D C 0.213 176.635 176.300 0.203 0.000 1.138 588 D CA 1.042 55.195 54.000 0.255 0.000 0.873 588 D CB 1.004 41.933 40.800 0.215 0.000 1.183 588 D HN 0.794 nan 8.370 nan 0.000 0.458 589 G N 0.404 109.328 108.800 0.206 0.000 2.317 589 G HA2 0.254 4.213 3.960 -0.002 0.000 0.293 589 G HA3 0.254 4.213 3.960 -0.002 0.000 0.293 589 G C -1.239 173.722 174.900 0.102 0.000 1.287 589 G CA -0.958 44.212 45.100 0.117 0.000 0.850 589 G HN 0.383 nan 8.290 nan 0.000 0.515 590 I N 0.716 121.298 120.570 0.020 0.000 2.365 590 I HA 0.514 4.683 4.170 -0.002 0.000 0.291 590 I C -0.615 175.436 176.117 -0.110 0.000 1.004 590 I CA -0.386 60.945 61.300 0.052 0.000 1.311 590 I CB 0.938 38.968 38.000 0.051 0.000 1.401 590 I HN 0.433 nan 8.210 nan 0.000 0.491 591 Y N 3.875 124.183 120.300 0.014 0.000 2.605 591 Y HA 0.493 5.042 4.550 -0.002 0.000 0.343 591 Y C -0.220 175.668 175.900 -0.020 0.000 1.036 591 Y CA -0.758 57.277 58.100 -0.107 0.000 1.065 591 Y CB 1.823 40.026 38.460 -0.429 0.000 1.288 591 Y HN 0.420 nan 8.280 nan 0.000 0.481 592 Q N 1.112 120.964 119.800 0.087 0.000 2.387 592 Q HA 0.474 4.813 4.340 -0.002 0.000 0.273 592 Q C -1.847 174.105 176.000 -0.080 0.000 1.089 592 Q CA -0.934 54.944 55.803 0.125 0.000 0.824 592 Q CB 2.657 31.460 28.738 0.109 0.000 1.367 592 Q HN 0.533 nan 8.270 nan 0.000 0.443 593 F N 1.782 121.783 119.950 0.085 0.000 2.347 593 F HA 0.415 4.941 4.527 -0.002 0.000 0.366 593 F C 0.037 176.101 175.800 0.440 0.000 1.107 593 F CA -0.445 57.604 58.000 0.080 0.000 1.058 593 F CB 0.911 39.587 39.000 -0.541 0.000 1.236 593 F HN 0.275 nan 8.300 nan 0.000 0.456 594 M N 2.219 122.189 119.600 0.616 0.000 2.314 594 M HA 0.321 4.800 4.480 -0.002 0.000 0.342 594 M C 0.413 177.023 176.300 0.517 0.000 1.171 594 M CA -0.618 54.989 55.300 0.511 0.000 1.098 594 M CB 1.651 34.492 32.600 0.402 0.000 1.559 594 M HN 0.597 nan 8.290 nan 0.000 0.459 595 T N -0.540 114.128 114.554 0.188 0.000 2.897 595 T HA 0.258 4.607 4.350 -0.002 0.000 0.294 595 T C 0.915 175.572 174.700 -0.072 0.000 1.004 595 T CA -0.979 60.963 62.100 -0.264 0.000 1.106 595 T CB 0.909 69.563 68.868 -0.356 0.000 0.949 595 T HN 0.423 nan 8.240 nan 0.000 0.520 596 V N 3.312 123.087 119.914 -0.232 0.000 2.407 596 V HA -0.088 4.031 4.120 -0.002 0.000 0.248 596 V C 2.360 178.459 176.094 0.009 0.000 1.055 596 V CA 1.677 63.909 62.300 -0.113 0.000 1.049 596 V CB -0.729 30.883 31.823 -0.352 0.000 0.662 596 V HN 0.880 nan 8.190 nan 0.000 0.455 597 I N -0.247 120.274 120.570 -0.080 0.000 2.193 597 I HA -0.076 4.093 4.170 -0.002 0.000 0.240 597 I C 1.136 177.263 176.117 0.016 0.000 1.084 597 I CA 1.135 62.415 61.300 -0.033 0.000 1.365 597 I CB -0.020 37.938 38.000 -0.071 0.000 1.064 597 I HN 0.281 nan 8.210 nan 0.000 0.410 598 N N 0.491 119.197 118.700 0.010 0.000 2.483 598 N HA 0.156 4.894 4.740 -0.002 0.000 0.267 598 N C 0.174 175.736 175.510 0.086 0.000 0.998 598 N CA -0.049 53.031 53.050 0.050 0.000 0.918 598 N CB 1.571 40.081 38.487 0.037 0.000 1.215 598 N HN 0.124 nan 8.380 nan 0.000 0.500 599 Q N 1.166 121.041 119.800 0.126 0.000 2.369 599 Q HA -0.033 4.306 4.340 -0.002 0.000 0.206 599 Q C -0.043 176.035 176.000 0.130 0.000 0.963 599 Q CA 0.973 56.877 55.803 0.168 0.000 0.894 599 Q CB 0.408 29.256 28.738 0.182 0.000 0.965 599 Q HN 0.566 nan 8.270 nan 0.000 0.475 600 D N -0.119 120.338 120.400 0.096 0.000 2.348 600 D HA -0.009 4.629 4.640 -0.002 0.000 0.216 600 D C -0.097 176.234 176.300 0.052 0.000 0.970 600 D CA 0.684 54.724 54.000 0.066 0.000 0.889 600 D CB 0.160 40.994 40.800 0.057 0.000 0.912 600 D HN 0.204 nan 8.370 nan 0.000 0.524 601 L N 1.099 122.371 121.223 0.081 0.000 2.295 601 L HA 0.429 4.767 4.340 -0.002 0.000 0.285 601 L C -0.175 176.802 176.870 0.178 0.000 1.035 601 L CA -1.049 53.849 54.840 0.097 0.000 0.806 601 L CB 1.220 43.327 42.059 0.081 0.000 1.214 601 L HN -0.165 nan 8.230 nan 0.000 0.426 602 I N 0.330 121.015 120.570 0.192 0.000 3.042 602 I HA 0.795 4.964 4.170 -0.002 0.000 0.310 602 I C -0.044 176.252 176.117 0.298 0.000 1.117 602 I CA -1.073 60.399 61.300 0.287 0.000 1.003 602 I CB 1.703 39.803 38.000 0.167 0.000 1.228 602 I HN 0.474 nan 8.210 nan 0.000 0.443 603 A N 1.950 124.927 122.820 0.261 0.000 2.444 603 A HA 0.428 4.746 4.320 -0.002 0.000 0.273 603 A C -0.433 177.317 177.584 0.276 0.000 1.136 603 A CA 0.043 52.105 52.037 0.043 0.000 0.799 603 A CB -0.402 18.246 19.000 -0.588 0.000 1.081 603 A HN 0.777 nan 8.150 nan 0.000 0.509 604 D N 3.196 123.728 120.400 0.219 0.000 2.502 604 D HA 0.253 4.892 4.640 -0.002 0.000 0.249 604 D C -1.098 175.313 176.300 0.184 0.000 1.092 604 D CA -0.563 53.557 54.000 0.200 0.000 0.839 604 D CB 1.435 42.295 40.800 0.101 0.000 1.264 604 D HN 0.357 nan 8.370 nan 0.000 0.511 605 L N 5.207 126.520 121.223 0.151 0.000 2.536 605 L HA 0.166 4.505 4.340 -0.002 0.000 0.282 605 L C 0.803 177.704 176.870 0.052 0.000 1.174 605 L CA 0.078 54.979 54.840 0.102 0.000 0.989 605 L CB -0.450 41.590 42.059 -0.032 0.000 1.311 605 L HN 0.433 nan 8.230 nan 0.000 0.455 606 T N -0.111 114.478 114.554 0.059 0.000 2.701 606 T HA 0.023 4.371 4.350 -0.002 0.000 0.303 606 T C 1.048 175.741 174.700 -0.013 0.000 1.030 606 T CA 0.336 62.450 62.100 0.023 0.000 1.010 606 T CB 0.836 69.720 68.868 0.026 0.000 1.007 606 T HN 0.563 nan 8.240 nan 0.000 0.532 607 T N -0.450 114.081 114.554 -0.038 0.000 3.037 607 T HA 0.110 4.459 4.350 -0.002 0.000 0.251 607 T C 0.764 175.393 174.700 -0.118 0.000 1.079 607 T CA -0.057 61.990 62.100 -0.088 0.000 1.067 607 T CB -0.730 68.101 68.868 -0.063 0.000 0.948 607 T HN 0.739 nan 8.240 nan 0.000 0.496 608 N N 2.129 120.787 118.700 -0.069 0.000 2.400 608 N HA 0.169 4.907 4.740 -0.002 0.000 0.267 608 N C 0.560 176.034 175.510 -0.061 0.000 1.208 608 N CA 0.081 53.096 53.050 -0.059 0.000 0.951 608 N CB -0.252 38.221 38.487 -0.024 0.000 1.227 608 N HN 0.269 nan 8.380 nan 0.000 0.488 609 N N 2.365 121.002 118.700 -0.104 0.000 1.170 609 N HA -0.335 4.404 4.740 -0.002 0.000 0.121 609 N C -0.841 174.534 175.510 -0.224 0.000 0.786 609 N CA 1.844 54.833 53.050 -0.103 0.000 0.876 609 N CB -0.834 37.667 38.487 0.024 0.000 1.094 609 N HN 0.660 nan 8.380 nan 0.000 0.586 610 Y N -0.041 120.303 120.300 0.073 0.000 2.713 610 Y HA 0.279 4.827 4.550 -0.002 0.000 0.269 610 Y C 0.463 176.473 175.900 0.184 0.000 1.106 610 Y CA 0.115 58.295 58.100 0.135 0.000 1.174 610 Y CB 0.259 38.864 38.460 0.241 0.000 1.186 610 Y HN 0.408 nan 8.280 nan 0.000 0.555 611 T N -1.442 113.236 114.554 0.207 0.000 2.882 611 T HA 0.596 4.945 4.350 -0.002 0.000 0.287 611 T C -0.223 174.567 174.700 0.151 0.000 1.014 611 T CA -0.409 61.809 62.100 0.196 0.000 1.049 611 T CB 1.263 70.202 68.868 0.118 0.000 1.001 611 T HN 0.178 nan 8.240 nan 0.000 0.525 612 I N 2.052 122.698 120.570 0.127 0.000 2.382 612 I HA 0.616 4.785 4.170 -0.002 0.000 0.286 612 I C 0.309 176.455 176.117 0.049 0.000 1.002 612 I CA -0.868 60.475 61.300 0.073 0.000 1.135 612 I CB 1.289 39.275 38.000 -0.024 0.000 1.288 612 I HN 0.959 nan 8.210 nan 0.000 0.448 613 A N 3.646 126.508 122.820 0.071 0.000 2.387 613 A HA 0.827 5.146 4.320 -0.002 0.000 0.303 613 A C -0.106 177.545 177.584 0.113 0.000 1.145 613 A CA -0.630 51.458 52.037 0.084 0.000 0.801 613 A CB 1.306 20.349 19.000 0.071 0.000 1.342 613 A HN 0.646 nan 8.150 nan 0.000 0.440 614 T N -0.161 114.476 114.554 0.137 0.000 2.794 614 T HA 0.586 4.935 4.350 -0.002 0.000 0.296 614 T C -0.356 174.404 174.700 0.100 0.000 0.949 614 T CA -0.162 62.032 62.100 0.158 0.000 1.101 614 T CB 0.042 68.998 68.868 0.145 0.000 0.905 614 T HN 0.575 nan 8.240 nan 0.000 0.516 615 K N 1.889 122.346 120.400 0.094 0.000 2.532 615 K HA 0.428 4.747 4.320 -0.002 0.000 0.265 615 K C -0.466 176.154 176.600 0.033 0.000 0.948 615 K CA -0.956 55.362 56.287 0.052 0.000 0.842 615 K CB 2.053 34.577 32.500 0.039 0.000 1.392 615 K HN 0.648 nan 8.250 nan 0.000 0.436 616 T N 1.651 116.210 114.554 0.009 0.000 2.905 616 T HA -0.055 4.293 4.350 -0.002 0.000 0.299 616 T C 0.292 174.963 174.700 -0.048 0.000 1.024 616 T CA 0.061 62.152 62.100 -0.014 0.000 1.151 616 T CB 0.024 68.876 68.868 -0.027 0.000 0.987 616 T HN 0.433 nan 8.240 nan 0.000 0.535 617 N N 1.818 120.466 118.700 -0.086 0.000 2.508 617 N HA 0.103 4.842 4.740 -0.002 0.000 0.264 617 N C 0.373 175.761 175.510 -0.204 0.000 1.216 617 N CA -0.097 52.831 53.050 -0.202 0.000 0.943 617 N CB 0.455 38.733 38.487 -0.350 0.000 1.113 617 N HN 0.726 nan 8.380 nan 0.000 0.447 618 N N 0.802 119.364 118.700 -0.231 0.000 1.986 618 N HA 0.118 4.856 4.740 -0.002 0.000 0.227 618 N C -1.111 174.421 175.510 0.037 0.000 1.387 618 N CA -0.238 52.770 53.050 -0.070 0.000 0.810 618 N CB 0.219 38.671 38.487 -0.058 0.000 1.140 618 N HN 0.516 nan 8.380 nan 0.000 0.504 619 Y N -0.312 119.904 120.300 -0.140 0.000 3.689 619 Y HA -0.271 4.278 4.550 -0.002 0.000 0.221 619 Y C -0.425 175.425 175.900 -0.082 0.000 1.247 619 Y CA 0.259 58.285 58.100 -0.123 0.000 1.671 619 Y CB -2.691 35.666 38.460 -0.172 0.000 1.521 619 Y HN -0.022 nan 8.280 nan 0.000 0.632 620 S N -1.138 114.552 115.700 -0.017 0.000 2.586 620 S HA 0.339 4.808 4.470 -0.002 0.000 0.274 620 S C 1.335 175.874 174.600 -0.101 0.000 1.281 620 S CA -0.315 57.851 58.200 -0.055 0.000 1.035 620 S CB 1.790 64.943 63.200 -0.078 0.000 0.962 620 S HN 0.333 nan 8.310 nan 0.000 0.512 621 S N 2.857 118.481 115.700 -0.127 0.000 2.393 621 S HA -0.257 4.212 4.470 -0.002 0.000 0.234 621 S C 1.904 176.331 174.600 -0.289 0.000 1.064 621 S CA 1.935 60.019 58.200 -0.193 0.000 1.088 621 S CB -0.687 62.381 63.200 -0.221 0.000 0.939 621 S HN 0.939 nan 8.310 nan 0.000 0.448 622 N N 0.993 119.526 118.700 -0.278 0.000 2.521 622 N HA -0.088 4.651 4.740 -0.002 0.000 0.188 622 N C 0.953 176.251 175.510 -0.354 0.000 1.146 622 N CA 0.484 53.326 53.050 -0.347 0.000 0.893 622 N CB -0.167 38.193 38.487 -0.211 0.000 0.975 622 N HN 0.566 nan 8.380 nan 0.000 0.451 623 Q N -0.279 119.370 119.800 -0.252 0.000 2.247 623 Q HA 0.206 4.545 4.340 -0.002 0.000 0.211 623 Q C -0.237 175.721 176.000 -0.070 0.000 0.861 623 Q CA 0.058 55.806 55.803 -0.092 0.000 0.949 623 Q CB 0.795 29.499 28.738 -0.056 0.000 1.115 623 Q HN 0.329 nan 8.270 nan 0.000 0.507 624 K N 0.183 120.400 120.400 -0.306 0.000 2.123 624 K HA 0.388 4.707 4.320 -0.002 0.000 0.259 624 K C -1.200 175.095 176.600 -0.509 0.000 0.960 624 K CA -0.314 55.865 56.287 -0.180 0.000 0.872 624 K CB 1.232 33.669 32.500 -0.104 0.000 1.079 624 K HN -0.112 nan 8.250 nan 0.000 0.440 625 W N 0.397 121.731 121.300 0.057 0.000 2.957 625 W HA 0.179 4.838 4.660 -0.002 0.000 0.336 625 W C -0.370 176.204 176.519 0.093 0.000 1.087 625 W CA -0.713 56.673 57.345 0.069 0.000 1.235 625 W CB 1.674 31.229 29.460 0.159 0.000 1.399 625 W HN 0.451 nan 8.180 nan 0.000 0.480 626 T N 0.006 114.702 114.554 0.235 0.000 2.739 626 T HA 0.468 4.817 4.350 -0.002 0.000 0.298 626 T C -0.418 174.429 174.700 0.246 0.000 0.929 626 T CA -0.597 61.624 62.100 0.203 0.000 1.014 626 T CB 0.321 69.259 68.868 0.117 0.000 0.914 626 T HN 0.185 nan 8.240 nan 0.000 0.509 627 V N 4.648 124.735 119.914 0.288 0.000 2.432 627 V HA 0.506 4.625 4.120 -0.002 0.000 0.275 627 V C 0.352 176.637 176.094 0.318 0.000 1.043 627 V CA -0.397 62.063 62.300 0.266 0.000 0.925 627 V CB 1.204 33.093 31.823 0.110 0.000 0.985 627 V HN 1.077 nan 8.190 nan 0.000 0.466 628 T N 4.507 119.262 114.554 0.334 0.000 2.921 628 T HA 0.382 4.731 4.350 -0.002 0.000 0.297 628 T C -0.935 173.861 174.700 0.159 0.000 1.013 628 T CA -0.431 61.825 62.100 0.260 0.000 0.990 628 T CB 1.201 70.163 68.868 0.156 0.000 1.023 628 T HN 0.457 nan 8.240 nan 0.000 0.447 629 Y N 2.963 123.180 120.300 -0.138 0.000 2.397 629 Y HA 0.328 4.876 4.550 -0.002 0.000 0.335 629 Y C 0.565 176.320 175.900 -0.243 0.000 1.213 629 Y CA -0.518 57.280 58.100 -0.504 0.000 1.391 629 Y CB 0.610 38.816 38.460 -0.423 0.000 1.293 629 Y HN 0.557 nan 8.280 nan 0.000 0.557 630 N N 4.664 122.738 118.700 -1.044 0.000 2.626 630 N HA 0.077 4.816 4.740 -0.002 0.000 0.249 630 N C 0.008 174.899 175.510 -1.031 0.000 1.021 630 N CA -0.202 52.382 53.050 -0.777 0.000 0.886 630 N CB 0.638 38.783 38.487 -0.571 0.000 1.149 630 N HN 0.826 nan 8.380 nan 0.000 0.517 631 D N 2.177 122.188 120.400 -0.649 0.000 2.339 631 D HA -0.248 4.391 4.640 -0.002 0.000 0.189 631 D C 1.283 177.361 176.300 -0.370 0.000 1.022 631 D CA 1.928 55.718 54.000 -0.349 0.000 0.884 631 D CB 0.503 41.220 40.800 -0.139 0.000 0.916 631 D HN 0.583 nan 8.370 nan 0.000 0.453 632 K N -0.428 119.724 120.400 -0.413 0.000 2.067 632 K HA 0.065 4.384 4.320 -0.002 0.000 0.203 632 K C 1.937 178.237 176.600 -0.501 0.000 1.048 632 K CA 0.526 56.591 56.287 -0.370 0.000 0.954 632 K CB 0.150 32.459 32.500 -0.318 0.000 0.737 632 K HN -0.001 nan 8.250 nan 0.000 0.444 633 K N 0.944 120.907 120.400 -0.728 0.000 2.432 633 K HA 0.048 4.366 4.320 -0.002 0.000 0.196 633 K C 0.059 176.083 176.600 -0.960 0.000 1.038 633 K CA 0.212 55.871 56.287 -1.046 0.000 0.986 633 K CB 0.112 31.718 32.500 -1.490 0.000 0.782 633 K HN 0.122 nan 8.250 nan 0.000 0.485 634 R N 0.115 120.166 120.500 -0.748 0.000 3.322 634 R HA -0.225 4.114 4.340 -0.002 0.000 0.253 634 R C -0.159 175.907 176.300 -0.391 0.000 0.987 634 R CA 0.447 56.218 56.100 -0.548 0.000 0.666 634 R CB -1.763 28.168 30.300 -0.615 0.000 1.072 634 R HN 0.355 nan 8.270 nan 0.000 0.447 635 A N -0.474 122.072 122.820 -0.458 0.000 2.515 635 A HA 0.742 5.060 4.320 -0.002 0.000 0.299 635 A C -1.682 175.914 177.584 0.019 0.000 1.179 635 A CA -0.810 51.233 52.037 0.009 0.000 0.656 635 A CB 1.003 20.019 19.000 0.027 0.000 1.306 635 A HN 0.184 nan 8.150 nan 0.000 0.459 636 Y N 0.264 120.777 120.300 0.355 0.000 2.364 636 Y HA 0.580 5.128 4.550 -0.002 0.000 0.340 636 Y C 0.296 176.325 175.900 0.217 0.000 0.975 636 Y CA -0.404 57.892 58.100 0.326 0.000 1.089 636 Y CB 2.109 40.758 38.460 0.314 0.000 1.192 636 Y HN 0.666 nan 8.280 nan 0.000 0.454 637 K N 3.401 123.879 120.400 0.129 0.000 2.234 637 K HA 0.518 4.837 4.320 -0.002 0.000 0.282 637 K C -1.074 175.571 176.600 0.076 0.000 1.039 637 K CA -0.195 56.001 56.287 -0.152 0.000 0.928 637 K CB 0.489 32.779 32.500 -0.351 0.000 1.039 637 K HN 0.637 nan 8.250 nan 0.000 0.470 638 I N 5.321 125.916 120.570 0.042 0.000 2.442 638 I HA 0.250 4.418 4.170 -0.002 0.000 0.279 638 I C -0.162 176.053 176.117 0.163 0.000 1.081 638 I CA -0.490 60.836 61.300 0.044 0.000 1.197 638 I CB 0.820 38.626 38.000 -0.324 0.000 1.394 638 I HN 0.375 nan 8.210 nan 0.000 0.488 639 R N 3.802 124.407 120.500 0.175 0.000 2.234 639 R HA 0.189 4.527 4.340 -0.002 0.000 0.324 639 R C 0.475 176.847 176.300 0.121 0.000 1.054 639 R CA -0.477 55.699 56.100 0.127 0.000 0.912 639 R CB 0.558 30.888 30.300 0.049 0.000 1.030 639 R HN 0.535 nan 8.270 nan 0.000 0.455 640 N N 2.235 120.905 118.700 -0.049 0.000 2.283 640 N HA -0.151 4.588 4.740 -0.002 0.000 0.236 640 N C 0.700 176.005 175.510 -0.342 0.000 1.252 640 N CA 0.182 52.910 53.050 -0.537 0.000 0.856 640 N CB 0.721 38.851 38.487 -0.595 0.000 1.099 640 N HN 0.378 nan 8.380 nan 0.000 0.444 641 L N 2.732 123.696 121.223 -0.431 0.000 2.127 641 L HA -0.057 4.282 4.340 -0.002 0.000 0.203 641 L C 2.542 179.259 176.870 -0.255 0.000 1.080 641 L CA 1.464 56.151 54.840 -0.255 0.000 0.768 641 L CB -0.655 41.275 42.059 -0.215 0.000 0.924 641 L HN 0.694 nan 8.230 nan 0.000 0.444 642 Q N -0.653 118.926 119.800 -0.369 0.000 2.046 642 Q HA -0.130 4.209 4.340 -0.002 0.000 0.200 642 Q C 0.184 175.894 176.000 -0.483 0.000 0.975 642 Q CA 1.575 57.094 55.803 -0.474 0.000 0.836 642 Q CB 0.085 28.415 28.738 -0.680 0.000 0.896 642 Q HN 0.488 nan 8.270 nan 0.000 0.428 643 H N -0.524 118.430 119.070 -0.193 0.000 2.340 643 H HA 0.432 4.986 4.556 -0.002 0.000 0.233 643 H C 0.277 175.396 175.328 -0.347 0.000 1.435 643 H CA 0.246 56.151 56.048 -0.238 0.000 1.389 643 H CB 0.710 30.282 29.762 -0.315 0.000 1.491 643 H HN 0.377 nan 8.280 nan 0.000 0.518 644 A N 2.130 124.923 122.820 -0.045 0.000 1.917 644 A HA -0.241 4.078 4.320 -0.002 0.000 0.219 644 A C 2.004 179.568 177.584 -0.034 0.000 1.182 644 A CA 1.685 53.705 52.037 -0.029 0.000 0.633 644 A CB -0.744 18.278 19.000 0.036 0.000 0.819 644 A HN 0.778 nan 8.150 nan 0.000 0.448 645 H N -0.831 118.254 119.070 0.026 0.000 2.568 645 H HA 0.137 4.692 4.556 -0.002 0.000 0.281 645 H C 0.045 175.368 175.328 -0.009 0.000 1.028 645 H CA 0.609 56.662 56.048 0.009 0.000 1.199 645 H CB -0.777 28.992 29.762 0.012 0.000 1.352 645 H HN 0.403 nan 8.280 nan 0.000 0.605 646 L N 2.001 123.012 121.223 -0.353 0.000 2.341 646 L HA 0.361 4.700 4.340 -0.002 0.000 0.278 646 L C -0.144 176.658 176.870 -0.113 0.000 1.005 646 L CA -0.840 53.860 54.840 -0.234 0.000 0.818 646 L CB 2.085 43.992 42.059 -0.254 0.000 1.259 646 L HN 0.120 nan 8.230 nan 0.000 0.418 647 S N 2.515 118.155 115.700 -0.100 0.000 2.542 647 S HA 0.535 5.004 4.470 -0.002 0.000 0.293 647 S C -0.605 173.944 174.600 -0.084 0.000 1.089 647 S CA -0.884 57.296 58.200 -0.033 0.000 0.961 647 S CB 2.081 65.235 63.200 -0.078 0.000 1.062 647 S HN 0.598 nan 8.310 nan 0.000 0.483 648 L N 2.468 123.639 121.223 -0.088 0.000 2.654 648 L HA 0.416 4.755 4.340 -0.002 0.000 0.271 648 L C 0.139 176.953 176.870 -0.093 0.000 1.169 648 L CA 0.416 55.045 54.840 -0.351 0.000 0.947 648 L CB -0.382 41.072 42.059 -1.009 0.000 1.232 648 L HN 0.990 nan 8.230 nan 0.000 0.486 649 A N 5.352 128.094 122.820 -0.130 0.000 2.454 649 A HA 0.522 4.840 4.320 -0.002 0.000 0.302 649 A C -1.868 175.904 177.584 0.314 0.000 1.079 649 A CA -0.603 51.469 52.037 0.058 0.000 0.731 649 A CB 0.963 19.800 19.000 -0.271 0.000 1.299 649 A HN 0.749 nan 8.150 nan 0.000 0.413 650 W N 2.247 123.707 121.300 0.267 0.000 2.314 650 W HA 0.486 5.145 4.660 -0.002 0.000 0.310 650 W C -0.524 176.159 176.519 0.273 0.000 1.075 650 W CA -0.965 56.561 57.345 0.301 0.000 1.253 650 W CB 1.144 30.779 29.460 0.292 0.000 1.238 650 W HN 0.672 nan 8.180 nan 0.000 0.440 651 D N 3.789 124.366 120.400 0.295 0.000 2.826 651 D HA -0.102 4.537 4.640 -0.002 0.000 0.229 651 D C 1.807 177.835 176.300 -0.453 0.000 1.091 651 D CA 0.918 54.932 54.000 0.023 0.000 1.061 651 D CB -0.197 40.623 40.800 0.033 0.000 1.155 651 D HN 0.430 nan 8.370 nan 0.000 0.450 652 S N 1.268 116.235 115.700 -1.222 0.000 2.392 652 S HA -0.260 4.208 4.470 -0.002 0.000 0.232 652 S C 1.651 175.810 174.600 -0.735 0.000 1.041 652 S CA 0.815 57.940 58.200 -1.792 0.000 1.026 652 S CB -0.167 61.815 63.200 -2.030 0.000 0.845 652 S HN 0.340 nan 8.310 nan 0.000 0.465 653 N N 1.159 119.527 118.700 -0.553 0.000 2.459 653 N HA 0.048 4.787 4.740 -0.002 0.000 0.181 653 N C 1.095 176.239 175.510 -0.609 0.000 1.046 653 N CA 1.267 53.997 53.050 -0.533 0.000 0.904 653 N CB -0.181 37.953 38.487 -0.589 0.000 0.964 653 N HN 0.734 nan 8.380 nan 0.000 0.444 654 H N -1.810 117.159 119.070 -0.167 0.000 2.067 654 H HA 0.240 4.795 4.556 -0.002 0.000 0.220 654 H C 0.857 176.178 175.328 -0.012 0.000 0.883 654 H CA 0.453 56.449 56.048 -0.087 0.000 1.042 654 H CB 0.488 30.182 29.762 -0.112 0.000 1.305 654 H HN 0.065 nan 8.280 nan 0.000 0.430 655 S N -0.265 115.530 115.700 0.159 0.000 3.132 655 S HA 0.168 4.637 4.470 -0.002 0.000 0.322 655 S C -0.424 174.382 174.600 0.343 0.000 1.124 655 S CA -0.174 58.139 58.200 0.188 0.000 0.906 655 S CB 1.271 64.547 63.200 0.127 0.000 1.349 655 S HN 0.358 nan 8.310 nan 0.000 0.686 656 D N -0.601 119.979 120.400 0.300 0.000 2.501 656 D HA 0.173 4.812 4.640 -0.002 0.000 0.226 656 D C 0.116 176.601 176.300 0.308 0.000 1.198 656 D CA -0.426 53.785 54.000 0.351 0.000 0.830 656 D CB -0.311 40.601 40.800 0.187 0.000 1.014 656 D HN 0.482 nan 8.370 nan 0.000 0.496 657 K N 0.748 121.321 120.400 0.289 0.000 2.527 657 K HA 0.027 4.346 4.320 -0.002 0.000 0.278 657 K C -0.306 176.525 176.600 0.384 0.000 0.981 657 K CA 0.110 56.546 56.287 0.249 0.000 1.009 657 K CB 0.498 33.071 32.500 0.121 0.000 0.895 657 K HN 0.060 nan 8.250 nan 0.000 0.493 658 I N 6.578 127.322 120.570 0.291 0.000 2.406 658 I HA 0.370 4.539 4.170 -0.002 0.000 0.290 658 I C -0.270 176.026 176.117 0.298 0.000 0.999 658 I CA -0.423 61.035 61.300 0.264 0.000 1.124 658 I CB 0.527 38.552 38.000 0.042 0.000 1.289 658 I HN 0.650 nan 8.210 nan 0.000 0.441 659 F N 2.687 122.663 119.950 0.043 0.000 2.711 659 F HA 0.793 5.319 4.527 -0.002 0.000 0.313 659 F C 0.032 175.867 175.800 0.057 0.000 1.141 659 F CA -1.149 56.886 58.000 0.059 0.000 0.941 659 F CB 1.678 40.730 39.000 0.086 0.000 1.349 659 F HN 0.386 nan 8.300 nan 0.000 0.464 660 G N 1.601 110.333 108.800 -0.113 0.000 2.770 660 G HA2 0.533 4.491 3.960 -0.002 0.000 0.307 660 G HA3 0.533 4.491 3.960 -0.002 0.000 0.307 660 G C -0.409 174.191 174.900 -0.500 0.000 0.863 660 G CA -0.057 44.906 45.100 -0.229 0.000 1.595 660 G HN 0.929 nan 8.290 nan 0.000 0.496 661 A N 2.686 124.986 122.820 -0.867 0.000 2.354 661 A HA 0.676 4.995 4.320 -0.002 0.000 0.269 661 A C 0.806 178.226 177.584 -0.273 0.000 1.109 661 A CA -0.180 51.461 52.037 -0.661 0.000 0.800 661 A CB 0.789 19.381 19.000 -0.680 0.000 1.045 661 A HN 0.601 nan 8.150 nan 0.000 0.489 662 T N 0.910 115.369 114.554 -0.157 0.000 2.904 662 T HA 0.546 4.895 4.350 -0.002 0.000 0.290 662 T C 1.139 175.823 174.700 -0.027 0.000 1.018 662 T CA 1.365 63.432 62.100 -0.055 0.000 1.075 662 T CB 0.215 69.073 68.868 -0.015 0.000 0.986 662 T HN 2.483 nan 8.240 nan 0.000 0.523 663 G N 3.555 112.359 108.800 0.007 0.000 2.552 663 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.267 663 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.267 663 G C -0.410 174.505 174.900 0.024 0.000 1.174 663 G CA 0.490 45.603 45.100 0.022 0.000 0.955 663 G HN 1.082 nan 8.290 nan 0.000 0.546 664 D N -2.017 118.418 120.400 0.058 0.000 2.878 664 D HA 0.618 5.257 4.640 -0.002 0.000 0.211 664 D C -1.397 175.013 176.300 0.184 0.000 1.271 664 D CA -0.410 53.648 54.000 0.097 0.000 0.845 664 D CB 1.308 42.170 40.800 0.104 0.000 1.679 664 D HN 0.823 nan 8.370 nan 0.000 0.536 665 Y N 2.203 122.544 120.300 0.067 0.000 2.609 665 Y HA 0.218 4.767 4.550 -0.002 0.000 0.336 665 Y C 0.184 176.191 175.900 0.178 0.000 1.129 665 Y CA -0.646 57.499 58.100 0.075 0.000 1.040 665 Y CB 1.824 40.285 38.460 0.002 0.000 1.310 665 Y HN 0.334 nan 8.280 nan 0.000 0.460 666 D N 0.858 121.008 120.400 -0.416 0.000 2.157 666 D HA -0.218 4.421 4.640 -0.002 0.000 0.191 666 D C 1.257 177.712 176.300 0.258 0.000 1.004 666 D CA 2.415 56.405 54.000 -0.016 0.000 0.854 666 D CB -0.236 40.375 40.800 -0.315 0.000 0.936 666 D HN 0.755 nan 8.370 nan 0.000 0.446 667 D N 0.037 120.750 120.400 0.522 0.000 2.392 667 D HA -0.136 4.502 4.640 -0.002 0.000 0.228 667 D C 1.073 177.402 176.300 0.049 0.000 1.003 667 D CA 0.524 54.656 54.000 0.220 0.000 0.917 667 D CB -0.546 40.269 40.800 0.025 0.000 0.890 667 D HN 0.308 nan 8.370 nan 0.000 0.532 668 Q N -1.275 118.559 119.800 0.056 0.000 2.247 668 Q HA 0.120 4.459 4.340 -0.002 0.000 0.211 668 Q C -0.519 175.295 176.000 -0.310 0.000 0.861 668 Q CA -0.127 55.630 55.803 -0.077 0.000 0.949 668 Q CB 0.480 29.156 28.738 -0.103 0.000 1.115 668 Q HN 0.349 nan 8.270 nan 0.000 0.507 669 Y N -0.604 119.565 120.300 -0.219 0.000 2.361 669 Y HA 0.326 4.874 4.550 -0.002 0.000 0.332 669 Y C -0.642 175.056 175.900 -0.336 0.000 1.101 669 Y CA -0.776 57.232 58.100 -0.154 0.000 1.137 669 Y CB 0.979 39.342 38.460 -0.163 0.000 1.207 669 Y HN -0.019 nan 8.280 nan 0.000 0.463 670 W N 3.788 125.312 121.300 0.372 0.000 2.915 670 W HA 0.689 5.347 4.660 -0.002 0.000 0.337 670 W C -1.341 175.474 176.519 0.494 0.000 1.102 670 W CA -0.635 56.954 57.345 0.406 0.000 1.224 670 W CB 1.321 30.995 29.460 0.357 0.000 1.416 670 W HN 0.189 nan 8.180 nan 0.000 0.503 671 I N 4.533 125.501 120.570 0.663 0.000 2.371 671 I HA 0.261 4.430 4.170 -0.002 0.000 0.282 671 I C -2.282 174.016 176.117 0.302 0.000 1.031 671 I CA -2.148 59.468 61.300 0.527 0.000 1.180 671 I CB 1.048 39.340 38.000 0.488 0.000 1.336 671 I HN -0.089 nan 8.210 nan 0.000 0.467 672 P HA 0.270 nan 4.420 nan 0.000 0.276 672 P C -0.730 176.473 177.300 -0.161 0.000 1.243 672 P CA -0.049 62.770 63.100 -0.468 0.000 0.768 672 P CB 0.660 31.969 31.700 -0.650 0.000 0.856 673 I N 4.375 124.837 120.570 -0.179 0.000 2.418 673 I HA 0.201 4.370 4.170 -0.002 0.000 0.287 673 I C -0.180 175.753 176.117 -0.308 0.000 1.008 673 I CA -0.857 60.351 61.300 -0.154 0.000 1.104 673 I CB 1.469 39.418 38.000 -0.084 0.000 1.264 673 I HN 0.178 nan 8.210 nan 0.000 0.438 674 L N 7.388 128.334 121.223 -0.462 0.000 2.490 674 L HA 0.183 4.521 4.340 -0.002 0.000 0.274 674 L C -0.156 176.404 176.870 -0.517 0.000 1.201 674 L CA 0.784 55.117 54.840 -0.845 0.000 0.869 674 L CB -0.018 41.625 42.059 -0.694 0.000 1.123 674 L HN 0.503 nan 8.230 nan 0.000 0.484 675 Q N 2.138 121.611 119.800 -0.545 0.000 2.248 675 Q HA 0.314 4.652 4.340 -0.002 0.000 0.263 675 Q C 1.050 176.914 176.000 -0.227 0.000 1.007 675 Q CA 0.217 55.832 55.803 -0.314 0.000 0.877 675 Q CB 1.400 29.956 28.738 -0.304 0.000 1.315 675 Q HN 0.792 nan 8.270 nan 0.000 0.454 676 T N -2.723 111.755 114.554 -0.127 0.000 3.098 676 T HA -0.117 4.231 4.350 -0.002 0.000 0.266 676 T C 0.604 175.290 174.700 -0.024 0.000 1.145 676 T CA 1.283 63.352 62.100 -0.053 0.000 1.092 676 T CB -0.105 68.750 68.868 -0.021 0.000 0.908 676 T HN 0.577 nan 8.240 nan 0.000 0.526 677 D N -0.111 120.249 120.400 -0.067 0.000 2.402 677 D HA 0.299 4.938 4.640 -0.002 0.000 0.216 677 D C 1.520 177.820 176.300 0.001 0.000 1.128 677 D CA 0.165 54.163 54.000 -0.002 0.000 0.833 677 D CB -0.358 40.432 40.800 -0.017 0.000 0.971 677 D HN 0.457 nan 8.370 nan 0.000 0.503 678 G N 0.353 109.097 108.800 -0.093 0.000 2.241 678 G HA2 -0.295 3.663 3.960 -0.002 0.000 0.244 678 G HA3 -0.295 3.663 3.960 -0.002 0.000 0.244 678 G C 0.541 175.275 174.900 -0.277 0.000 0.998 678 G CA 0.390 45.424 45.100 -0.110 0.000 0.621 678 G HN 0.815 nan 8.290 nan 0.000 0.519 679 S N -0.308 115.114 115.700 -0.463 0.000 2.661 679 S HA 0.819 5.288 4.470 -0.002 0.000 0.265 679 S C -0.139 174.120 174.600 -0.569 0.000 1.225 679 S CA -0.454 57.410 58.200 -0.559 0.000 0.986 679 S CB 1.434 64.144 63.200 -0.816 0.000 1.008 679 S HN 0.483 nan 8.310 nan 0.000 0.565 680 F N -0.771 119.026 119.950 -0.254 0.000 2.579 680 F HA 0.666 5.191 4.527 -0.002 0.000 0.324 680 F C 0.006 175.623 175.800 -0.306 0.000 1.058 680 F CA -1.006 56.782 58.000 -0.354 0.000 0.944 680 F CB 1.683 40.353 39.000 -0.551 0.000 1.245 680 F HN 0.437 nan 8.300 nan 0.000 0.477 681 I N 1.516 121.940 120.570 -0.244 0.000 2.509 681 I HA 0.340 4.509 4.170 -0.002 0.000 0.293 681 I C -1.422 174.471 176.117 -0.374 0.000 1.020 681 I CA -0.588 60.600 61.300 -0.186 0.000 1.088 681 I CB 1.835 39.759 38.000 -0.126 0.000 1.267 681 I HN 0.371 nan 8.210 nan 0.000 0.430 682 F N 5.582 125.401 119.950 -0.218 0.000 2.308 682 F HA 0.475 5.001 4.527 -0.002 0.000 0.370 682 F C 0.459 176.374 175.800 0.193 0.000 1.100 682 F CA -0.616 57.326 58.000 -0.096 0.000 1.108 682 F CB 0.788 39.504 39.000 -0.473 0.000 1.293 682 F HN 0.212 nan 8.300 nan 0.000 0.478 683 R N 1.854 122.579 120.500 0.374 0.000 2.490 683 R HA 0.106 4.444 4.340 -0.002 0.000 0.280 683 R C 0.271 176.820 176.300 0.415 0.000 1.077 683 R CA -0.545 55.760 56.100 0.342 0.000 1.065 683 R CB 0.511 30.949 30.300 0.229 0.000 1.003 683 R HN 0.529 nan 8.270 nan 0.000 0.470 684 N N 2.200 120.996 118.700 0.160 0.000 2.497 684 N HA -0.111 4.628 4.740 -0.002 0.000 0.271 684 N C 0.481 175.963 175.510 -0.046 0.000 1.142 684 N CA 0.187 53.055 53.050 -0.304 0.000 0.965 684 N CB 0.594 38.862 38.487 -0.366 0.000 1.077 684 N HN 0.570 nan 8.380 nan 0.000 0.462 685 Y N 4.643 124.833 120.300 -0.183 0.000 2.403 685 Y HA -0.160 4.389 4.550 -0.002 0.000 0.291 685 Y C 2.223 178.094 175.900 -0.049 0.000 1.143 685 Y CA 1.729 59.782 58.100 -0.078 0.000 1.257 685 Y CB 0.134 38.548 38.460 -0.077 0.000 0.984 685 Y HN 0.664 nan 8.280 nan 0.000 0.550 686 K N -0.111 120.218 120.400 -0.119 0.000 2.044 686 K HA -0.093 4.226 4.320 -0.002 0.000 0.204 686 K C 0.145 176.744 176.600 -0.002 0.000 1.045 686 K CA 1.084 57.306 56.287 -0.109 0.000 0.951 686 K CB -0.069 32.487 32.500 0.093 0.000 0.738 686 K HN 0.118 nan 8.250 nan 0.000 0.443 687 N N 0.688 119.502 118.700 0.190 0.000 2.696 687 N HA 0.237 4.976 4.740 -0.002 0.000 0.246 687 N C -2.508 173.027 175.510 0.042 0.000 1.057 687 N CA -2.206 50.923 53.050 0.133 0.000 0.867 687 N CB 1.707 40.352 38.487 0.263 0.000 1.141 687 N HN -0.072 nan 8.380 nan 0.000 0.517 688 P HA -0.057 nan 4.420 nan 0.000 0.229 688 P C 0.873 178.205 177.300 0.053 0.000 1.150 688 P CA 0.737 63.871 63.100 0.056 0.000 0.765 688 P CB 0.357 32.096 31.700 0.065 0.000 0.783 689 N N -0.630 118.086 118.700 0.026 0.000 2.457 689 N HA -0.047 4.691 4.740 -0.002 0.000 0.180 689 N C 0.247 175.741 175.510 -0.027 0.000 1.050 689 N CA 0.763 53.824 53.050 0.017 0.000 0.906 689 N CB -0.068 38.435 38.487 0.026 0.000 0.968 689 N HN 0.013 nan 8.380 nan 0.000 0.445 690 K N 0.888 121.236 120.400 -0.088 0.000 2.159 690 K HA 0.326 4.644 4.320 -0.002 0.000 0.266 690 K C -0.072 176.511 176.600 -0.028 0.000 0.975 690 K CA -0.700 55.470 56.287 -0.194 0.000 0.865 690 K CB 1.762 33.888 32.500 -0.624 0.000 1.087 690 K HN 0.072 nan 8.250 nan 0.000 0.446 691 I N -1.173 119.415 120.570 0.029 0.000 2.934 691 I HA 0.556 4.724 4.170 -0.002 0.000 0.306 691 I C -0.388 175.810 176.117 0.135 0.000 1.110 691 I CA -1.387 60.005 61.300 0.153 0.000 1.019 691 I CB 1.043 39.062 38.000 0.033 0.000 1.227 691 I HN 0.386 nan 8.210 nan 0.000 0.434 692 F N 1.427 121.424 119.950 0.078 0.000 2.404 692 F HA 0.985 5.511 4.527 -0.002 0.000 0.345 692 F C 0.331 176.230 175.800 0.164 0.000 1.110 692 F CA -0.354 57.614 58.000 -0.053 0.000 1.130 692 F CB 0.638 39.373 39.000 -0.443 0.000 1.129 692 F HN 0.810 nan 8.300 nan 0.000 0.500 693 G N 1.381 110.381 108.800 0.334 0.000 2.911 693 G HA2 0.608 4.567 3.960 -0.002 0.000 0.299 693 G HA3 0.608 4.567 3.960 -0.002 0.000 0.299 693 G C -1.517 173.525 174.900 0.236 0.000 1.283 693 G CA -0.646 44.636 45.100 0.303 0.000 0.805 693 G HN 0.849 nan 8.290 nan 0.000 0.548 694 T N -1.064 113.539 114.554 0.083 0.000 2.792 694 T HA 0.418 4.767 4.350 -0.002 0.000 0.280 694 T C -0.388 174.323 174.700 0.018 0.000 0.990 694 T CA -0.822 61.312 62.100 0.056 0.000 0.960 694 T CB 1.497 70.365 68.868 0.001 0.000 0.939 694 T HN 0.258 nan 8.240 nan 0.000 0.439 695 N N 2.824 121.543 118.700 0.032 0.000 2.381 695 N HA 0.377 5.116 4.740 -0.002 0.000 0.288 695 N C 1.231 176.742 175.510 0.001 0.000 1.346 695 N CA 1.902 54.962 53.050 0.017 0.000 0.970 695 N CB -0.761 37.742 38.487 0.027 0.000 1.351 695 N HN 1.205 nan 8.380 nan 0.000 0.488 696 G N 2.024 110.814 108.800 -0.015 0.000 2.598 696 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.244 696 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.244 696 G C -0.787 174.091 174.900 -0.037 0.000 1.302 696 G CA -0.667 44.418 45.100 -0.025 0.000 0.903 696 G HN 0.518 nan 8.290 nan 0.000 0.575 697 Q N 1.425 121.206 119.800 -0.031 0.000 2.263 697 Q HA 0.249 4.588 4.340 -0.002 0.000 0.289 697 Q C -1.793 174.190 176.000 -0.027 0.000 1.061 697 Q CA -0.311 55.471 55.803 -0.034 0.000 0.927 697 Q CB 0.647 29.373 28.738 -0.021 0.000 1.154 697 Q HN 0.524 nan 8.270 nan 0.000 0.378 698 P HA 0.297 nan 4.420 nan 0.000 0.293 698 P C -0.403 176.897 177.300 -0.001 0.000 1.313 698 P CA -0.284 62.801 63.100 -0.025 0.000 0.787 698 P CB 0.499 32.160 31.700 -0.064 0.000 0.910 699 I N -0.024 120.554 120.570 0.014 0.000 3.133 699 I HA 0.574 4.743 4.170 -0.002 0.000 0.311 699 I C -0.073 176.063 176.117 0.030 0.000 1.072 699 I CA -1.543 59.770 61.300 0.022 0.000 1.015 699 I CB 1.497 39.509 38.000 0.019 0.000 1.233 699 I HN 0.014 nan 8.210 nan 0.000 0.473 700 N N 2.282 121.000 118.700 0.029 0.000 2.357 700 N HA -0.034 4.705 4.740 -0.002 0.000 0.257 700 N C 0.117 175.645 175.510 0.030 0.000 1.250 700 N CA 1.229 54.297 53.050 0.030 0.000 0.862 700 N CB 0.083 38.582 38.487 0.020 0.000 1.066 700 N HN 0.840 nan 8.380 nan 0.000 0.468 701 D N 1.173 121.595 120.400 0.037 0.000 2.981 701 D HA -0.198 4.441 4.640 -0.002 0.000 0.223 701 D C -0.776 175.548 176.300 0.040 0.000 1.151 701 D CA 0.906 54.928 54.000 0.035 0.000 0.827 701 D CB -1.500 39.314 40.800 0.023 0.000 1.101 701 D HN 0.592 nan 8.370 nan 0.000 0.426 702 I N -2.358 118.241 120.570 0.048 0.000 2.354 702 I HA 0.647 4.816 4.170 -0.002 0.000 0.292 702 I C -2.366 173.791 176.117 0.068 0.000 0.989 702 I CA -1.994 59.336 61.300 0.050 0.000 1.188 702 I CB 1.973 39.997 38.000 0.040 0.000 1.342 702 I HN -0.261 nan 8.210 nan 0.000 0.457 703 P HA 0.141 nan 4.420 nan 0.000 0.269 703 P C -0.566 176.791 177.300 0.095 0.000 1.209 703 P CA -0.136 63.010 63.100 0.077 0.000 0.776 703 P CB 0.831 32.574 31.700 0.072 0.000 0.876 704 L N 2.609 123.891 121.223 0.098 0.000 2.410 704 L HA 0.234 4.573 4.340 -0.002 0.000 0.273 704 L C 0.961 177.907 176.870 0.126 0.000 1.152 704 L CA 0.034 54.951 54.840 0.128 0.000 0.855 704 L CB -0.154 41.943 42.059 0.062 0.000 1.129 704 L HN 0.226 nan 8.230 nan 0.000 0.463 705 K N 2.558 123.040 120.400 0.137 0.000 2.270 705 K HA 0.567 4.886 4.320 -0.002 0.000 0.255 705 K C -0.394 176.269 176.600 0.105 0.000 0.936 705 K CA -0.604 55.754 56.287 0.118 0.000 0.809 705 K CB 2.122 34.674 32.500 0.086 0.000 1.131 705 K HN 0.645 nan 8.250 nan 0.000 0.427 706 A N 3.431 126.286 122.820 0.059 0.000 2.477 706 A HA 0.260 4.578 4.320 -0.002 0.000 0.246 706 A C -0.005 177.520 177.584 -0.099 0.000 1.078 706 A CA 0.124 52.097 52.037 -0.106 0.000 0.770 706 A CB 0.015 18.680 19.000 -0.559 0.000 1.011 706 A HN 0.727 nan 8.150 nan 0.000 0.494 707 Q N 1.431 121.173 119.800 -0.098 0.000 2.511 707 Q HA 0.422 4.760 4.340 -0.002 0.000 0.289 707 Q C -1.687 174.268 176.000 -0.076 0.000 1.021 707 Q CA -1.133 54.631 55.803 -0.065 0.000 0.785 707 Q CB 1.117 29.843 28.738 -0.019 0.000 1.472 707 Q HN 0.561 nan 8.270 nan 0.000 0.411 708 D N 1.331 121.702 120.400 -0.049 0.000 2.425 708 D HA 0.143 4.781 4.640 -0.002 0.000 0.247 708 D C 0.091 176.377 176.300 -0.023 0.000 1.147 708 D CA 0.021 54.001 54.000 -0.033 0.000 0.879 708 D CB 1.234 42.026 40.800 -0.013 0.000 1.179 708 D HN 0.277 nan 8.370 nan 0.000 0.456 709 V N 2.445 122.350 119.914 -0.016 0.000 2.814 709 V HA 0.014 4.132 4.120 -0.002 0.000 0.307 709 V C 1.530 177.615 176.094 -0.014 0.000 1.089 709 V CA 0.878 63.171 62.300 -0.012 0.000 1.212 709 V CB 1.130 32.953 31.823 0.000 0.000 0.912 709 V HN 0.777 nan 8.190 nan 0.000 0.497 710 T N 1.208 115.748 114.554 -0.024 0.000 3.252 710 T HA 0.327 4.676 4.350 -0.002 0.000 0.295 710 T C 1.222 175.901 174.700 -0.034 0.000 0.897 710 T CA 1.205 63.290 62.100 -0.025 0.000 0.905 710 T CB -0.235 68.617 68.868 -0.026 0.000 1.202 710 T HN 1.519 nan 8.240 nan 0.000 0.592 711 G N 1.774 110.548 108.800 -0.044 0.000 2.284 711 G HA2 -0.260 3.698 3.960 -0.002 0.000 0.261 711 G HA3 -0.260 3.698 3.960 -0.002 0.000 0.261 711 G C 0.163 175.019 174.900 -0.072 0.000 0.997 711 G CA 0.528 45.593 45.100 -0.057 0.000 0.621 711 G HN 0.618 nan 8.290 nan 0.000 0.534 712 Q N 0.343 120.103 119.800 -0.067 0.000 2.479 712 Q HA 0.118 4.457 4.340 -0.002 0.000 0.267 712 Q C 1.314 177.249 176.000 -0.109 0.000 1.071 712 Q CA 0.212 55.970 55.803 -0.075 0.000 0.935 712 Q CB 0.165 28.865 28.738 -0.063 0.000 1.295 712 Q HN 0.356 nan 8.270 nan 0.000 0.476 713 N N 1.535 120.167 118.700 -0.114 0.000 2.289 713 N HA -0.171 4.567 4.740 -0.002 0.000 0.184 713 N C 1.042 176.425 175.510 -0.212 0.000 1.016 713 N CA 1.200 54.155 53.050 -0.159 0.000 0.872 713 N CB -0.335 38.075 38.487 -0.127 0.000 0.973 713 N HN 0.607 nan 8.380 nan 0.000 0.433 714 N N 0.208 118.804 118.700 -0.173 0.000 2.666 714 N HA -0.114 4.624 4.740 -0.002 0.000 0.194 714 N C 0.798 176.170 175.510 -0.229 0.000 1.220 714 N CA 0.719 53.648 53.050 -0.201 0.000 0.928 714 N CB -0.077 38.339 38.487 -0.119 0.000 0.997 714 N HN 0.346 nan 8.380 nan 0.000 0.447 715 Q N -0.978 118.689 119.800 -0.222 0.000 2.189 715 Q HA 0.211 4.549 4.340 -0.002 0.000 0.223 715 Q C -0.486 175.395 176.000 -0.199 0.000 0.828 715 Q CA 0.048 55.757 55.803 -0.156 0.000 0.967 715 Q CB 0.675 29.358 28.738 -0.091 0.000 1.139 715 Q HN 0.331 nan 8.270 nan 0.000 0.497 716 K N 0.308 120.485 120.400 -0.372 0.000 2.270 716 K HA 0.414 4.733 4.320 -0.002 0.000 0.255 716 K C -1.515 174.777 176.600 -0.512 0.000 0.936 716 K CA -0.391 55.705 56.287 -0.318 0.000 0.809 716 K CB 1.372 33.677 32.500 -0.324 0.000 1.131 716 K HN -0.108 nan 8.250 nan 0.000 0.427 717 W N 1.656 122.900 121.300 -0.093 0.000 2.819 717 W HA 0.367 5.026 4.660 -0.002 0.000 0.337 717 W C -0.782 175.729 176.519 -0.013 0.000 1.077 717 W CA -0.577 56.790 57.345 0.036 0.000 1.226 717 W CB 0.786 30.435 29.460 0.315 0.000 1.419 717 W HN 0.386 nan 8.180 nan 0.000 0.502 718 Y N 2.514 123.009 120.300 0.325 0.000 2.323 718 Y HA 0.478 5.026 4.550 -0.002 0.000 0.331 718 Y C 0.366 176.438 175.900 0.287 0.000 1.092 718 Y CA -0.813 57.421 58.100 0.222 0.000 1.150 718 Y CB 0.698 39.214 38.460 0.094 0.000 1.200 718 Y HN 0.016 nan 8.280 nan 0.000 0.472 719 L N 4.314 125.770 121.223 0.387 0.000 2.275 719 L HA 0.489 4.828 4.340 -0.002 0.000 0.288 719 L C 0.138 177.185 176.870 0.295 0.000 1.046 719 L CA -0.767 54.185 54.840 0.188 0.000 0.805 719 L CB 1.138 43.191 42.059 -0.010 0.000 1.193 719 L HN 0.517 nan 8.230 nan 0.000 0.426 720 R N 2.247 122.888 120.500 0.234 0.000 2.205 720 R HA 0.134 4.473 4.340 -0.002 0.000 0.342 720 R C -0.222 176.140 176.300 0.103 0.000 1.058 720 R CA -0.334 55.895 56.100 0.216 0.000 0.904 720 R CB 0.171 30.593 30.300 0.203 0.000 1.089 720 R HN 0.570 nan 8.270 nan 0.000 0.471 721 H N 5.404 124.408 119.070 -0.110 0.000 3.067 721 H HA 0.081 4.636 4.556 -0.002 0.000 0.265 721 H C 0.668 175.849 175.328 -0.244 0.000 1.234 721 H CA -0.403 55.341 56.048 -0.508 0.000 1.452 721 H CB 0.654 30.180 29.762 -0.392 0.000 1.527 721 H HN 0.684 nan 8.280 nan 0.000 0.486 722 L N 3.573 124.813 121.223 0.027 0.000 2.023 722 L HA -0.187 4.152 4.340 -0.002 0.000 0.205 722 L C 2.330 179.224 176.870 0.041 0.000 1.073 722 L CA 0.803 55.692 54.840 0.081 0.000 0.745 722 L CB -0.368 41.750 42.059 0.098 0.000 0.900 722 L HN 0.632 nan 8.230 nan 0.000 0.435 723 N N 0.288 119.030 118.700 0.070 0.000 2.247 723 N HA -0.155 4.584 4.740 -0.002 0.000 0.189 723 N C 1.134 176.517 175.510 -0.211 0.000 1.009 723 N CA 0.966 54.020 53.050 0.007 0.000 0.872 723 N CB -0.202 38.381 38.487 0.160 0.000 0.980 723 N HN 0.407 nan 8.380 nan 0.000 0.436 724 S N -1.218 114.113 115.700 -0.616 0.000 2.614 724 S HA 0.003 4.472 4.470 -0.002 0.000 0.251 724 S C 0.960 175.390 174.600 -0.283 0.000 1.388 724 S CA 0.322 58.114 58.200 -0.680 0.000 0.973 724 S CB 0.393 63.149 63.200 -0.739 0.000 0.926 724 S HN 0.348 nan 8.310 nan 0.000 0.580 725 S N -0.655 114.906 115.700 -0.231 0.000 2.664 725 S HA 0.293 4.762 4.470 -0.002 0.000 0.245 725 S C 0.035 174.540 174.600 -0.160 0.000 1.019 725 S CA -0.752 57.359 58.200 -0.149 0.000 0.996 725 S CB -0.722 62.426 63.200 -0.087 0.000 0.878 725 S HN 0.684 nan 8.310 nan 0.000 0.493 726 N N 3.514 122.098 118.700 -0.192 0.000 3.331 726 N HA 0.210 4.949 4.740 -0.002 0.000 0.303 726 N C -1.032 174.290 175.510 -0.313 0.000 1.326 726 N CA -0.022 52.909 53.050 -0.199 0.000 1.207 726 N CB 0.187 38.589 38.487 -0.141 0.000 1.477 726 N HN 0.494 nan 8.380 nan 0.000 0.541 727 N N 0.658 119.154 118.700 -0.339 0.000 2.384 727 N HA 0.303 5.042 4.740 -0.002 0.000 0.301 727 N C -0.341 175.027 175.510 -0.236 0.000 1.133 727 N CA -0.361 52.457 53.050 -0.387 0.000 0.853 727 N CB 1.070 39.104 38.487 -0.754 0.000 1.241 727 N HN 0.011 nan 8.380 nan 0.000 0.502 728 F N 0.731 120.674 119.950 -0.012 0.000 2.471 728 F HA 0.176 4.702 4.527 -0.002 0.000 0.353 728 F C 1.594 177.548 175.800 0.256 0.000 1.113 728 F CA -0.068 57.930 58.000 -0.002 0.000 1.262 728 F CB 0.551 39.245 39.000 -0.510 0.000 1.146 728 F HN 0.313 nan 8.300 nan 0.000 0.578 729 T N 0.077 114.936 114.554 0.508 0.000 2.900 729 T HA 0.753 5.102 4.350 -0.002 0.000 0.295 729 T C 0.076 174.903 174.700 0.212 0.000 1.044 729 T CA -0.255 62.046 62.100 0.335 0.000 0.995 729 T CB 1.549 70.534 68.868 0.194 0.000 1.072 729 T HN 1.315 nan 8.240 nan 0.000 0.473 730 G N 1.582 110.394 108.800 0.020 0.000 2.509 730 G HA2 -0.154 3.804 3.960 -0.002 0.000 0.259 730 G HA3 -0.154 3.804 3.960 -0.002 0.000 0.259 730 G C -1.079 173.497 174.900 -0.540 0.000 1.169 730 G CA -0.051 44.884 45.100 -0.276 0.000 0.953 730 G HN 1.019 nan 8.290 nan 0.000 0.563 731 Y N -0.197 119.845 120.300 -0.431 0.000 2.409 731 Y HA 0.756 5.304 4.550 -0.002 0.000 0.339 731 Y C 0.119 175.611 175.900 -0.679 0.000 1.033 731 Y CA -0.481 57.395 58.100 -0.372 0.000 1.094 731 Y CB 1.736 40.070 38.460 -0.211 0.000 1.210 731 Y HN 0.483 nan 8.280 nan 0.000 0.456 732 F N 0.385 120.491 119.950 0.260 0.000 2.591 732 F HA 0.366 4.892 4.527 -0.002 0.000 0.309 732 F C -0.703 175.219 175.800 0.203 0.000 1.098 732 F CA -1.339 56.792 58.000 0.218 0.000 0.937 732 F CB 1.626 40.755 39.000 0.215 0.000 1.250 732 F HN 0.382 nan 8.300 nan 0.000 0.447 733 N N 2.722 121.633 118.700 0.351 0.000 2.419 733 N HA 0.504 5.243 4.740 -0.002 0.000 0.264 733 N C -1.046 174.548 175.510 0.140 0.000 1.031 733 N CA -0.312 52.892 53.050 0.258 0.000 0.951 733 N CB 1.076 39.692 38.487 0.215 0.000 1.101 733 N HN 0.426 nan 8.380 nan 0.000 0.488 734 I N 2.462 123.032 120.570 0.000 0.000 2.313 734 I HA 0.108 4.276 4.170 -0.002 0.000 0.286 734 I C 0.296 176.407 176.117 -0.010 0.000 1.091 734 I CA -0.369 60.724 61.300 -0.344 0.000 1.216 734 I CB -0.024 37.539 38.000 -0.727 0.000 1.434 734 I HN 0.514 nan 8.210 nan 0.000 0.487 735 S N 3.301 119.076 115.700 0.125 0.000 2.672 735 S HA 0.479 4.948 4.470 -0.002 0.000 0.276 735 S C 0.034 174.847 174.600 0.355 0.000 1.207 735 S CA -0.755 57.609 58.200 0.274 0.000 1.002 735 S CB 1.870 65.212 63.200 0.236 0.000 0.998 735 S HN 0.462 nan 8.310 nan 0.000 0.542 736 S N -0.274 115.547 115.700 0.202 0.000 2.554 736 S HA 0.275 4.744 4.470 -0.002 0.000 0.278 736 S C 1.018 175.557 174.600 -0.102 0.000 1.242 736 S CA -0.745 57.381 58.200 -0.122 0.000 1.051 736 S CB 0.847 63.989 63.200 -0.097 0.000 0.986 736 S HN 0.840 nan 8.310 nan 0.000 0.502 737 K N 2.377 122.674 120.400 -0.172 0.000 2.113 737 K HA -0.162 4.157 4.320 -0.002 0.000 0.208 737 K C 1.736 178.258 176.600 -0.131 0.000 1.047 737 K CA 1.659 57.891 56.287 -0.092 0.000 0.928 737 K CB -0.139 32.301 32.500 -0.101 0.000 0.716 737 K HN 0.544 nan 8.250 nan 0.000 0.446 738 K N 0.506 120.756 120.400 -0.249 0.000 2.366 738 K HA -0.039 4.280 4.320 -0.002 0.000 0.198 738 K C -0.231 176.060 176.600 -0.515 0.000 1.044 738 K CA 0.675 56.752 56.287 -0.349 0.000 0.973 738 K CB 0.258 32.552 32.500 -0.343 0.000 0.767 738 K HN 0.033 nan 8.250 nan 0.000 0.475 739 N N 0.012 118.405 118.700 -0.512 0.000 2.747 739 N HA -0.016 4.723 4.740 -0.002 0.000 0.262 739 N C -0.117 175.271 175.510 -0.203 0.000 1.261 739 N CA -0.454 52.351 53.050 -0.409 0.000 0.809 739 N CB 0.048 38.124 38.487 -0.683 0.000 1.450 739 N HN 0.023 nan 8.380 nan 0.000 0.560 740 F N 2.996 122.890 119.950 -0.093 0.000 2.449 740 F HA 0.063 4.589 4.527 -0.002 0.000 0.299 740 F C 1.154 176.988 175.800 0.056 0.000 1.092 740 F CA 0.893 58.897 58.000 0.006 0.000 1.446 740 F CB -0.131 38.893 39.000 0.040 0.000 1.084 740 F HN 0.336 nan 8.300 nan 0.000 0.567 741 N N 0.101 118.392 118.700 -0.681 0.000 2.280 741 N HA 0.024 4.762 4.740 -0.002 0.000 0.192 741 N C -0.571 174.837 175.510 -0.171 0.000 1.109 741 N CA 0.042 52.779 53.050 -0.522 0.000 0.855 741 N CB 0.116 38.177 38.487 -0.711 0.000 0.974 741 N HN 0.052 nan 8.380 nan 0.000 0.482 742 K N 1.283 121.639 120.400 -0.074 0.000 2.265 742 K HA 0.321 4.640 4.320 -0.002 0.000 0.267 742 K C -0.459 176.269 176.600 0.213 0.000 0.994 742 K CA -0.568 55.772 56.287 0.090 0.000 0.860 742 K CB 1.741 34.344 32.500 0.173 0.000 1.099 742 K HN 0.241 nan 8.250 nan 0.000 0.448 743 I N 0.061 120.781 120.570 0.249 0.000 2.730 743 I HA 0.471 4.640 4.170 -0.002 0.000 0.298 743 I C -0.134 176.156 176.117 0.289 0.000 1.089 743 I CA -1.242 60.222 61.300 0.274 0.000 1.041 743 I CB 1.612 39.740 38.000 0.214 0.000 1.235 743 I HN 0.415 nan 8.210 nan 0.000 0.423 744 I N 4.104 124.804 120.570 0.217 0.000 2.662 744 I HA 0.077 4.246 4.170 -0.002 0.000 0.285 744 I C -0.131 176.224 176.117 0.396 0.000 1.161 744 I CA 1.001 62.376 61.300 0.125 0.000 1.415 744 I CB 0.330 38.131 38.000 -0.332 0.000 1.385 744 I HN 0.653 nan 8.210 nan 0.000 0.552 745 T N 7.299 122.057 114.554 0.341 0.000 2.916 745 T HA 0.345 4.693 4.350 -0.002 0.000 0.298 745 T C -0.346 174.493 174.700 0.231 0.000 1.031 745 T CA -0.648 61.612 62.100 0.266 0.000 0.993 745 T CB 1.885 70.837 68.868 0.140 0.000 1.045 745 T HN 0.521 nan 8.240 nan 0.000 0.454 746 M N 4.521 124.189 119.600 0.113 0.000 2.162 746 M HA 0.320 4.799 4.480 -0.002 0.000 0.356 746 M C 0.405 176.679 176.300 -0.043 0.000 1.303 746 M CA -0.629 54.708 55.300 0.061 0.000 1.116 746 M CB 0.406 32.944 32.600 -0.103 0.000 1.632 746 M HN 0.700 nan 8.290 nan 0.000 0.469 747 N N 3.427 122.121 118.700 -0.009 0.000 2.354 747 N HA 0.112 4.851 4.740 -0.002 0.000 0.246 747 N C 0.263 175.730 175.510 -0.072 0.000 1.285 747 N CA -0.044 52.977 53.050 -0.048 0.000 0.925 747 N CB 0.170 38.654 38.487 -0.005 0.000 1.174 747 N HN 0.761 nan 8.380 nan 0.000 0.478 748 S N 0.169 115.819 115.700 -0.082 0.000 2.381 748 S HA -0.214 4.254 4.470 -0.002 0.000 0.230 748 S C 1.122 175.688 174.600 -0.058 0.000 1.052 748 S CA 1.499 59.652 58.200 -0.078 0.000 1.068 748 S CB -0.542 62.620 63.200 -0.064 0.000 0.918 748 S HN 0.692 nan 8.310 nan 0.000 0.448 749 N N 1.169 119.846 118.700 -0.039 0.000 2.521 749 N HA 0.037 4.775 4.740 -0.002 0.000 0.188 749 N C -0.302 175.193 175.510 -0.026 0.000 1.146 749 N CA 0.317 53.349 53.050 -0.030 0.000 0.893 749 N CB -0.081 38.394 38.487 -0.021 0.000 0.975 749 N HN 0.491 nan 8.380 nan 0.000 0.451 750 K N -0.509 119.873 120.400 -0.029 0.000 3.071 750 K HA -0.176 4.143 4.320 -0.002 0.000 0.265 750 K C 0.871 177.476 176.600 0.009 0.000 1.060 750 K CA 1.059 57.337 56.287 -0.015 0.000 0.767 750 K CB -2.126 30.358 32.500 -0.026 0.000 1.241 750 K HN 0.455 nan 8.250 nan 0.000 0.486 751 T N -3.417 111.143 114.554 0.010 0.000 3.034 751 T HA 0.001 4.350 4.350 -0.002 0.000 0.248 751 T C 0.612 175.333 174.700 0.035 0.000 1.040 751 T CA 0.233 62.341 62.100 0.014 0.000 1.107 751 T CB 0.195 69.062 68.868 -0.001 0.000 0.932 751 T HN 0.445 nan 8.240 nan 0.000 0.474 752 Q N 0.180 120.005 119.800 0.042 0.000 2.605 752 Q HA 0.798 5.137 4.340 -0.002 0.000 0.296 752 Q C -1.589 174.462 176.000 0.084 0.000 1.056 752 Q CA -1.580 54.256 55.803 0.056 0.000 0.778 752 Q CB 2.011 30.765 28.738 0.026 0.000 1.497 752 Q HN 0.229 nan 8.270 nan 0.000 0.443 753 A N 0.794 123.661 122.820 0.079 0.000 2.317 753 A HA 0.772 5.091 4.320 -0.002 0.000 0.327 753 A C -0.244 177.388 177.584 0.079 0.000 1.178 753 A CA -0.493 51.601 52.037 0.096 0.000 0.817 753 A CB 0.959 19.959 19.000 0.000 0.000 1.189 753 A HN 0.745 nan 8.150 nan 0.000 0.489 754 V N 0.446 120.434 119.914 0.124 0.000 3.167 754 V HA 0.814 4.933 4.120 -0.002 0.000 0.310 754 V C -0.467 175.745 176.094 0.196 0.000 1.207 754 V CA -0.984 61.401 62.300 0.142 0.000 1.059 754 V CB 1.335 33.254 31.823 0.160 0.000 1.079 754 V HN 0.843 nan 8.190 nan 0.000 0.446 755 I N 1.381 122.069 120.570 0.196 0.000 2.532 755 I HA 0.745 4.914 4.170 -0.002 0.000 0.292 755 I C -0.765 175.536 176.117 0.307 0.000 1.014 755 I CA -0.289 61.156 61.300 0.242 0.000 1.340 755 I CB 0.987 39.084 38.000 0.162 0.000 1.422 755 I HN 0.729 nan 8.210 nan 0.000 0.528 756 F N 4.455 124.480 119.950 0.126 0.000 2.665 756 F HA 0.288 4.813 4.527 -0.002 0.000 0.308 756 F C -0.642 175.196 175.800 0.064 0.000 1.112 756 F CA -0.992 57.057 58.000 0.082 0.000 0.972 756 F CB 1.164 40.199 39.000 0.059 0.000 1.295 756 F HN 0.392 nan 8.300 nan 0.000 0.440 757 D N 2.822 123.156 120.400 -0.111 0.000 2.583 757 D HA -0.094 4.544 4.640 -0.002 0.000 0.232 757 D C -0.114 176.312 176.300 0.211 0.000 1.128 757 D CA 0.617 54.625 54.000 0.014 0.000 0.859 757 D CB 0.452 41.197 40.800 -0.091 0.000 1.169 757 D HN 0.369 nan 8.370 nan 0.000 0.481 758 N N 2.635 121.388 118.700 0.088 0.000 2.427 758 N HA -0.026 4.713 4.740 -0.002 0.000 0.269 758 N C 0.547 176.087 175.510 0.049 0.000 1.235 758 N CA 0.042 53.139 53.050 0.078 0.000 0.934 758 N CB 0.082 38.587 38.487 0.030 0.000 1.121 758 N HN 0.460 nan 8.380 nan 0.000 0.480 759 I N 0.302 120.911 120.570 0.065 0.000 4.050 759 I HA 0.387 4.556 4.170 -0.002 0.000 0.327 759 I C 0.954 177.056 176.117 -0.025 0.000 1.473 759 I CA -0.387 60.930 61.300 0.028 0.000 1.124 759 I CB -0.081 37.966 38.000 0.078 0.000 1.129 759 I HN 0.486 nan 8.210 nan 0.000 0.428 760 G N 3.326 112.103 108.800 -0.039 0.000 2.168 760 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.257 760 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.257 760 G C 0.291 175.139 174.900 -0.087 0.000 0.997 760 G CA 0.693 45.754 45.100 -0.064 0.000 0.708 760 G HN 0.797 nan 8.290 nan 0.000 0.520 761 I N -3.608 116.902 120.570 -0.101 0.000 2.886 761 I HA 0.425 4.594 4.170 -0.002 0.000 0.299 761 I C 1.277 177.288 176.117 -0.176 0.000 1.044 761 I CA -0.858 60.359 61.300 -0.138 0.000 1.310 761 I CB 0.489 38.393 38.000 -0.159 0.000 1.441 761 I HN -0.151 nan 8.210 nan 0.000 0.578 762 N N 2.375 120.958 118.700 -0.195 0.000 2.309 762 N HA -0.126 4.613 4.740 -0.002 0.000 0.182 762 N C 0.803 176.116 175.510 -0.329 0.000 1.018 762 N CA 1.135 54.041 53.050 -0.239 0.000 0.876 762 N CB -0.543 37.816 38.487 -0.212 0.000 0.972 762 N HN 0.619 nan 8.380 nan 0.000 0.434 763 N N 0.911 119.416 118.700 -0.326 0.000 2.501 763 N HA 0.013 4.752 4.740 -0.002 0.000 0.195 763 N C 0.766 175.997 175.510 -0.465 0.000 1.213 763 N CA 0.295 53.087 53.050 -0.429 0.000 0.864 763 N CB 0.274 38.572 38.487 -0.314 0.000 0.999 763 N HN 0.442 nan 8.380 nan 0.000 0.454 764 Q N -1.629 117.947 119.800 -0.373 0.000 2.211 764 Q HA 0.213 4.551 4.340 -0.002 0.000 0.242 764 Q C -0.231 175.634 176.000 -0.225 0.000 0.825 764 Q CA -0.023 55.645 55.803 -0.225 0.000 0.951 764 Q CB 0.816 29.527 28.738 -0.046 0.000 1.130 764 Q HN 0.009 nan 8.270 nan 0.000 0.496 765 S N 0.573 116.090 115.700 -0.305 0.000 2.415 765 S HA 0.280 4.749 4.470 -0.002 0.000 0.313 765 S C -1.395 173.132 174.600 -0.122 0.000 1.067 765 S CA -0.542 57.587 58.200 -0.118 0.000 1.099 765 S CB 0.004 63.123 63.200 -0.135 0.000 0.991 765 S HN 0.179 nan 8.310 nan 0.000 0.491 766 W N 3.981 125.328 121.300 0.079 0.000 2.433 766 W HA 0.454 5.112 4.660 -0.002 0.000 0.315 766 W C 0.211 176.709 176.519 -0.035 0.000 1.087 766 W CA -0.925 56.418 57.345 -0.003 0.000 1.205 766 W CB 0.997 30.431 29.460 -0.043 0.000 1.288 766 W HN 0.455 nan 8.180 nan 0.000 0.504 767 K N 2.801 123.175 120.400 -0.044 0.000 2.258 767 K HA 0.425 4.743 4.320 -0.002 0.000 0.284 767 K C -1.147 175.405 176.600 -0.081 0.000 1.051 767 K CA -0.375 55.660 56.287 -0.420 0.000 0.923 767 K CB 0.500 32.441 32.500 -0.931 0.000 1.046 767 K HN 0.405 nan 8.250 nan 0.000 0.474 768 L N 4.873 126.154 121.223 0.097 0.000 2.259 768 L HA 0.322 4.660 4.340 -0.002 0.000 0.288 768 L C -0.246 176.851 176.870 0.379 0.000 1.051 768 L CA 0.209 55.206 54.840 0.261 0.000 0.824 768 L CB 0.909 43.087 42.059 0.199 0.000 1.206 768 L HN 0.559 nan 8.230 nan 0.000 0.429 769 K N 3.911 124.578 120.400 0.444 0.000 2.347 769 K HA 0.196 4.515 4.320 -0.002 0.000 0.262 769 K C -1.051 175.785 176.600 0.394 0.000 1.052 769 K CA -0.682 55.840 56.287 0.392 0.000 0.946 769 K CB 0.480 33.193 32.500 0.355 0.000 1.220 769 K HN 0.365 nan 8.250 nan 0.000 0.450 770 Y N 3.478 123.883 120.300 0.175 0.000 2.336 770 Y HA 0.156 4.705 4.550 -0.002 0.000 0.331 770 Y C -0.302 175.566 175.900 -0.053 0.000 1.211 770 Y CA -0.073 57.927 58.100 -0.167 0.000 1.346 770 Y CB 0.797 39.099 38.460 -0.264 0.000 1.271 770 Y HN 0.568 nan 8.280 nan 0.000 0.538 771 N N 4.742 123.021 118.700 -0.701 0.000 2.569 771 N HA 0.093 4.831 4.740 -0.002 0.000 0.254 771 N C 0.144 175.111 175.510 -0.904 0.000 1.004 771 N CA -0.261 52.468 53.050 -0.534 0.000 0.904 771 N CB 0.751 39.128 38.487 -0.183 0.000 1.165 771 N HN 0.829 nan 8.380 nan 0.000 0.513 772 D N 2.458 122.453 120.400 -0.675 0.000 2.200 772 D HA -0.207 4.432 4.640 -0.002 0.000 0.192 772 D C 1.172 177.301 176.300 -0.284 0.000 1.008 772 D CA 1.335 55.097 54.000 -0.395 0.000 0.872 772 D CB 0.372 41.097 40.800 -0.125 0.000 0.923 772 D HN 0.518 nan 8.370 nan 0.000 0.447 773 N N -0.067 118.475 118.700 -0.262 0.000 2.084 773 N HA -0.109 4.630 4.740 -0.002 0.000 0.190 773 N C 1.459 176.827 175.510 -0.237 0.000 1.030 773 N CA 1.034 53.959 53.050 -0.208 0.000 0.849 773 N CB -0.051 38.316 38.487 -0.199 0.000 1.012 773 N HN 0.349 nan 8.380 nan 0.000 0.423 774 K N 0.295 120.478 120.400 -0.363 0.000 2.367 774 K HA 0.137 4.455 4.320 -0.002 0.000 0.194 774 K C -0.227 176.212 176.600 -0.268 0.000 1.027 774 K CA -0.004 56.062 56.287 -0.369 0.000 1.075 774 K CB 0.200 32.310 32.500 -0.650 0.000 0.845 774 K HN 0.197 nan 8.250 nan 0.000 0.529 775 N N 0.148 118.669 118.700 -0.298 0.000 2.681 775 N HA -0.246 4.493 4.740 -0.002 0.000 0.250 775 N C -0.569 174.922 175.510 -0.033 0.000 1.133 775 N CA 0.664 53.663 53.050 -0.085 0.000 0.732 775 N CB -1.044 37.535 38.487 0.153 0.000 1.107 775 N HN 0.329 nan 8.380 nan 0.000 0.559 776 A N -0.819 121.790 122.820 -0.352 0.000 2.387 776 A HA 0.819 5.137 4.320 -0.002 0.000 0.303 776 A C -1.001 176.532 177.584 -0.085 0.000 1.145 776 A CA -0.588 51.310 52.037 -0.232 0.000 0.801 776 A CB 1.106 19.789 19.000 -0.527 0.000 1.342 776 A HN 0.188 nan 8.150 nan 0.000 0.440 777 Y N -0.067 120.400 120.300 0.278 0.000 2.468 777 Y HA 0.493 5.042 4.550 -0.002 0.000 0.342 777 Y C 0.385 176.410 175.900 0.207 0.000 1.021 777 Y CA -0.422 57.862 58.100 0.306 0.000 1.079 777 Y CB 1.851 40.467 38.460 0.260 0.000 1.226 777 Y HN 0.652 nan 8.280 nan 0.000 0.460 778 Q N 2.505 122.449 119.800 0.241 0.000 2.256 778 Q HA 0.508 4.846 4.340 -0.002 0.000 0.254 778 Q C -1.176 175.064 176.000 0.399 0.000 0.916 778 Q CA -0.407 55.530 55.803 0.223 0.000 0.932 778 Q CB 1.520 30.340 28.738 0.137 0.000 1.207 778 Q HN 0.535 nan 8.270 nan 0.000 0.426 779 I N 3.780 124.549 120.570 0.332 0.000 2.359 779 I HA 0.268 4.437 4.170 -0.002 0.000 0.284 779 I C -0.505 175.771 176.117 0.265 0.000 1.018 779 I CA -0.455 60.937 61.300 0.154 0.000 1.173 779 I CB 0.364 38.216 38.000 -0.247 0.000 1.326 779 I HN 0.688 nan 8.210 nan 0.000 0.462 780 H N 4.845 124.015 119.070 0.166 0.000 2.946 780 H HA 0.775 5.330 4.556 -0.002 0.000 0.365 780 H C -1.330 174.026 175.328 0.048 0.000 1.197 780 H CA -1.080 54.957 56.048 -0.018 0.000 1.131 780 H CB 1.902 31.166 29.762 -0.829 0.000 1.849 780 H HN 0.352 nan 8.280 nan 0.000 0.555 781 I N 3.751 124.235 120.570 -0.143 0.000 2.495 781 I HA 0.194 4.363 4.170 -0.002 0.000 0.277 781 I C -0.320 175.707 176.117 -0.151 0.000 1.045 781 I CA -0.331 60.795 61.300 -0.290 0.000 1.135 781 I CB 0.496 38.157 38.000 -0.565 0.000 1.241 781 I HN 0.721 nan 8.210 nan 0.000 0.469 782 L N 3.245 124.440 121.223 -0.048 0.000 7.312 782 L HA -0.310 4.029 4.340 -0.002 0.000 0.053 782 L C 0.715 177.602 176.870 0.028 0.000 1.661 782 L CA 1.277 56.131 54.840 0.022 0.000 1.520 782 L CB -0.711 41.328 42.059 -0.032 0.000 2.860 782 L HN 0.750 nan 8.230 nan 0.000 1.142 783 D N 0.007 120.419 120.400 0.020 0.000 2.323 783 D HA 0.042 4.680 4.640 -0.002 0.000 0.239 783 D C 0.162 176.524 176.300 0.103 0.000 1.129 783 D CA 0.290 54.344 54.000 0.089 0.000 0.865 783 D CB -0.561 40.311 40.800 0.121 0.000 0.913 783 D HN 0.342 nan 8.370 nan 0.000 0.517 784 N N 0.643 119.309 118.700 -0.057 0.000 2.469 784 N HA 0.221 4.960 4.740 -0.002 0.000 0.253 784 N C -1.207 174.304 175.510 0.002 0.000 0.970 784 N CA -0.397 52.678 53.050 0.042 0.000 0.940 784 N CB 0.924 39.419 38.487 0.015 0.000 1.128 784 N HN 0.001 nan 8.380 nan 0.000 0.503 785 F N 1.269 121.341 119.950 0.205 0.000 2.450 785 F HA 0.349 4.875 4.527 -0.002 0.000 0.332 785 F C 0.508 176.496 175.800 0.313 0.000 1.093 785 F CA -0.969 57.198 58.000 0.278 0.000 1.003 785 F CB 1.257 40.380 39.000 0.206 0.000 1.151 785 F HN 0.192 nan 8.300 nan 0.000 0.474 786 L N 3.881 125.357 121.223 0.422 0.000 2.410 786 L HA 0.148 4.487 4.340 -0.002 0.000 0.273 786 L C -1.364 175.871 176.870 0.609 0.000 1.152 786 L CA 0.112 55.090 54.840 0.230 0.000 0.855 786 L CB -0.164 41.698 42.059 -0.330 0.000 1.129 786 L HN 0.548 nan 8.230 nan 0.000 0.463 787 Y N 5.165 125.712 120.300 0.411 0.000 2.315 787 Y HA 0.272 4.821 4.550 -0.002 0.000 0.324 787 Y C -0.546 175.603 175.900 0.416 0.000 1.062 787 Y CA -1.058 57.296 58.100 0.424 0.000 1.159 787 Y CB 0.872 39.470 38.460 0.231 0.000 1.145 787 Y HN 0.527 nan 8.280 nan 0.000 0.442 788 F N 5.265 125.241 119.950 0.043 0.000 2.604 788 F HA -0.028 4.498 4.527 -0.002 0.000 0.390 788 F C 0.705 176.478 175.800 -0.045 0.000 1.053 788 F CA 1.064 59.045 58.000 -0.031 0.000 1.256 788 F CB 0.829 39.657 39.000 -0.288 0.000 0.996 788 F HN 0.587 nan 8.300 nan 0.000 0.564 789 Q N 4.407 123.797 119.800 -0.685 0.000 2.139 789 Q HA 0.302 4.640 4.340 -0.002 0.000 0.219 789 Q C 0.413 175.947 176.000 -0.775 0.000 0.805 789 Q CA 0.437 55.928 55.803 -0.521 0.000 1.024 789 Q CB 0.628 29.240 28.738 -0.211 0.000 1.163 789 Q HN 0.986 nan 8.270 nan 0.000 0.485 790 G N -0.154 107.612 108.800 -1.724 0.000 2.617 790 G HA2 0.004 3.963 3.960 -0.002 0.000 0.686 790 G HA3 0.004 3.963 3.960 -0.002 0.000 0.686 790 G C -0.008 174.420 174.900 -0.787 0.000 1.214 790 G CA -0.661 43.806 45.100 -1.054 0.000 0.796 790 G HN 0.261 nan 8.290 nan 0.000 0.654 791 G N -1.131 107.266 108.800 -0.671 0.000 2.614 791 G HA2 0.515 4.474 3.960 -0.002 0.000 0.239 791 G HA3 0.515 4.474 3.960 -0.002 0.000 0.239 791 G C 0.755 175.547 174.900 -0.180 0.000 1.240 791 G CA 1.195 45.797 45.100 -0.831 0.000 0.842 791 G HN 2.067 nan 8.290 nan 0.000 0.584 792 H N -0.928 118.120 119.070 -0.036 0.000 3.631 792 H HA -0.177 4.377 4.556 -0.002 0.000 0.202 792 H C -0.144 175.171 175.328 -0.022 0.000 1.029 792 H CA 1.075 57.191 56.048 0.113 0.000 1.208 792 H CB -0.619 29.214 29.762 0.117 0.000 1.124 792 H HN 0.474 nan 8.280 nan 0.000 0.329 793 N N 0.382 119.033 118.700 -0.081 0.000 2.314 793 N HA 0.355 5.094 4.740 -0.002 0.000 0.304 793 N C -0.128 175.299 175.510 -0.139 0.000 1.073 793 N CA -0.548 52.403 53.050 -0.165 0.000 0.822 793 N CB 1.307 39.665 38.487 -0.215 0.000 1.280 793 N HN 0.159 nan 8.380 nan 0.000 0.489 794 I N 1.190 121.668 120.570 -0.152 0.000 2.741 794 I HA -0.074 4.095 4.170 -0.002 0.000 0.288 794 I C 0.104 176.197 176.117 -0.040 0.000 1.192 794 I CA -0.016 61.223 61.300 -0.101 0.000 1.426 794 I CB 0.346 38.278 38.000 -0.114 0.000 1.367 794 I HN 0.087 nan 8.210 nan 0.000 0.563 795 V N 8.078 127.999 119.914 0.012 0.000 2.446 795 V HA 0.168 4.287 4.120 -0.002 0.000 0.276 795 V C 0.923 177.067 176.094 0.084 0.000 1.030 795 V CA -0.362 61.983 62.300 0.074 0.000 1.033 795 V CB 0.364 32.215 31.823 0.047 0.000 0.993 795 V HN 0.871 nan 8.190 nan 0.000 0.477 796 A N 4.808 127.710 122.820 0.137 0.000 2.310 796 A HA 0.671 4.989 4.320 -0.002 0.000 0.260 796 A C 0.634 178.330 177.584 0.187 0.000 1.112 796 A CA 0.032 52.150 52.037 0.136 0.000 0.804 796 A CB 0.340 19.424 19.000 0.140 0.000 1.081 796 A HN 0.955 nan 8.150 nan 0.000 0.499 797 T N -0.532 114.106 114.554 0.141 0.000 2.864 797 T HA 0.612 4.960 4.350 -0.002 0.000 0.299 797 T C -0.464 174.293 174.700 0.095 0.000 1.011 797 T CA -0.619 61.587 62.100 0.177 0.000 0.975 797 T CB 0.556 69.531 68.868 0.178 0.000 0.962 797 T HN 0.424 nan 8.240 nan 0.000 0.448 798 M N 3.148 122.797 119.600 0.082 0.000 2.268 798 M HA 0.455 4.933 4.480 -0.002 0.000 0.344 798 M C 0.512 176.868 176.300 0.094 0.000 1.106 798 M CA -0.552 54.702 55.300 -0.076 0.000 1.010 798 M CB 1.914 34.202 32.600 -0.521 0.000 1.649 798 M HN 0.613 nan 8.290 nan 0.000 0.443 799 R N 1.642 122.171 120.500 0.048 0.000 2.652 799 R HA 0.228 4.567 4.340 -0.002 0.000 0.271 799 R C 0.389 176.712 176.300 0.039 0.000 1.129 799 R CA -0.359 55.804 56.100 0.104 0.000 1.200 799 R CB 0.340 30.668 30.300 0.047 0.000 1.146 799 R HN 0.690 nan 8.270 nan 0.000 0.581 800 N N -0.687 118.045 118.700 0.053 0.000 2.740 800 N HA -0.148 4.591 4.740 -0.002 0.000 0.248 800 N C -0.533 174.906 175.510 -0.117 0.000 1.062 800 N CA 1.072 54.105 53.050 -0.029 0.000 0.704 800 N CB -1.523 36.944 38.487 -0.035 0.000 0.968 800 N HN 0.405 nan 8.380 nan 0.000 0.547 801 V N -0.794 118.974 119.914 -0.243 0.000 2.432 801 V HA 0.499 4.618 4.120 -0.002 0.000 0.271 801 V C 1.240 177.173 176.094 -0.269 0.000 1.046 801 V CA -0.292 61.823 62.300 -0.308 0.000 0.945 801 V CB 1.131 32.681 31.823 -0.456 0.000 0.992 801 V HN 0.335 nan 8.190 nan 0.000 0.471 802 T N 1.819 116.294 114.554 -0.131 0.000 2.932 802 T HA 0.093 4.442 4.350 -0.002 0.000 0.312 802 T C 0.928 175.578 174.700 -0.084 0.000 1.071 802 T CA 0.777 62.824 62.100 -0.088 0.000 1.128 802 T CB -0.166 68.681 68.868 -0.036 0.000 0.984 802 T HN 0.805 nan 8.240 nan 0.000 0.549 803 N N 0.826 119.494 118.700 -0.054 0.000 2.348 803 N HA -0.106 4.633 4.740 -0.002 0.000 0.185 803 N C 0.888 176.460 175.510 0.102 0.000 1.019 803 N CA 0.749 53.801 53.050 0.004 0.000 0.880 803 N CB 0.027 38.518 38.487 0.005 0.000 0.965 803 N HN 0.605 nan 8.380 nan 0.000 0.437 804 D N 0.010 120.440 120.400 0.051 0.000 2.349 804 D HA -0.021 4.617 4.640 -0.002 0.000 0.214 804 D C -0.397 175.947 176.300 0.074 0.000 1.063 804 D CA 0.257 54.278 54.000 0.035 0.000 0.847 804 D CB -0.108 40.684 40.800 -0.015 0.000 0.933 804 D HN 0.106 nan 8.370 nan 0.000 0.513 805 D N 1.112 121.574 120.400 0.103 0.000 2.356 805 D HA -0.031 4.608 4.640 -0.002 0.000 0.272 805 D C 1.538 177.921 176.300 0.137 0.000 1.337 805 D CA 0.020 54.072 54.000 0.087 0.000 0.970 805 D CB 0.534 41.377 40.800 0.071 0.000 1.092 805 D HN 0.153 nan 8.370 nan 0.000 0.516 806 L N 3.645 124.932 121.223 0.106 0.000 2.353 806 L HA -0.097 4.241 4.340 -0.002 0.000 0.220 806 L C 2.366 179.170 176.870 -0.110 0.000 1.133 806 L CA 0.540 55.422 54.840 0.070 0.000 0.798 806 L CB -0.194 41.896 42.059 0.052 0.000 0.922 806 L HN 0.275 nan 8.230 nan 0.000 0.445 807 R N 0.101 120.446 120.500 -0.258 0.000 2.189 807 R HA -0.088 4.250 4.340 -0.002 0.000 0.223 807 R C 2.312 178.236 176.300 -0.627 0.000 1.092 807 R CA 1.450 57.192 56.100 -0.596 0.000 0.989 807 R CB -0.176 29.519 30.300 -1.008 0.000 0.876 807 R HN 0.443 nan 8.270 nan 0.000 0.457 808 S N -1.136 114.372 115.700 -0.321 0.000 2.575 808 S HA 0.066 4.535 4.470 -0.002 0.000 0.215 808 S C 0.135 174.585 174.600 -0.251 0.000 0.966 808 S CA -0.327 57.828 58.200 -0.076 0.000 0.911 808 S CB 0.079 63.259 63.200 -0.034 0.000 0.780 808 S HN 0.097 nan 8.310 nan 0.000 0.514 809 Y N 0.349 120.402 120.300 -0.412 0.000 2.387 809 Y HA 0.602 5.151 4.550 -0.002 0.000 0.330 809 Y C -0.629 174.712 175.900 -0.932 0.000 1.133 809 Y CA -1.076 56.759 58.100 -0.441 0.000 1.152 809 Y CB 1.019 39.237 38.460 -0.403 0.000 1.215 809 Y HN 0.208 nan 8.280 nan 0.000 0.466 810 W N 2.021 123.321 121.300 -0.000 0.000 2.998 810 W HA 0.493 5.152 4.660 -0.002 0.000 0.335 810 W C -1.737 174.762 176.519 -0.034 0.000 1.110 810 W CA -0.997 56.328 57.345 -0.033 0.000 1.230 810 W CB 0.881 30.355 29.460 0.024 0.000 1.405 810 W HN 0.299 nan 8.180 nan 0.000 0.493 811 Y N 1.761 122.253 120.300 0.319 0.000 2.320 811 Y HA 0.519 5.067 4.550 -0.002 0.000 0.334 811 Y C 0.242 176.355 175.900 0.355 0.000 1.055 811 Y CA -1.071 57.195 58.100 0.275 0.000 1.143 811 Y CB 0.942 39.462 38.460 0.100 0.000 1.193 811 Y HN 0.008 nan 8.280 nan 0.000 0.477 812 V N 4.384 124.595 119.914 0.495 0.000 2.328 812 V HA 0.333 4.452 4.120 -0.002 0.000 0.278 812 V C -0.602 175.792 176.094 0.500 0.000 1.021 812 V CA -0.898 61.600 62.300 0.331 0.000 0.838 812 V CB 0.881 32.598 31.823 -0.178 0.000 0.999 812 V HN 0.726 nan 8.190 nan 0.000 0.447 813 E N 3.679 124.197 120.200 0.530 0.000 2.191 813 E HA 0.360 4.708 4.350 -0.002 0.000 0.263 813 E C -1.310 175.502 176.600 0.354 0.000 0.881 813 E CA -0.832 55.840 56.400 0.454 0.000 0.757 813 E CB 2.215 32.127 29.700 0.354 0.000 1.147 813 E HN 0.621 nan 8.360 nan 0.000 0.414 814 Y N 3.593 123.886 120.300 -0.012 0.000 2.465 814 Y HA 0.051 4.600 4.550 -0.002 0.000 0.331 814 Y C -0.081 175.546 175.900 -0.455 0.000 1.102 814 Y CA -0.245 57.462 58.100 -0.655 0.000 1.358 814 Y CB 0.490 38.390 38.460 -0.933 0.000 1.213 814 Y HN 0.459 nan 8.280 nan 0.000 0.525 815 N N 5.634 123.772 118.700 -0.937 0.000 2.422 815 N HA 0.053 4.792 4.740 -0.002 0.000 0.266 815 N C 0.084 174.952 175.510 -1.070 0.000 1.007 815 N CA -0.094 52.547 53.050 -0.681 0.000 0.941 815 N CB 0.429 38.716 38.487 -0.334 0.000 1.115 815 N HN 0.733 nan 8.380 nan 0.000 0.492 816 F N 2.456 121.990 119.950 -0.693 0.000 2.407 816 F HA -0.025 4.501 4.527 -0.002 0.000 0.299 816 F C 2.207 177.861 175.800 -0.243 0.000 1.097 816 F CA 0.546 58.239 58.000 -0.511 0.000 1.422 816 F CB 0.009 38.672 39.000 -0.561 0.000 1.067 816 F HN 0.545 nan 8.300 nan 0.000 0.539 817 N N -0.156 118.537 118.700 -0.013 0.000 2.368 817 N HA -0.086 4.653 4.740 -0.002 0.000 0.176 817 N C 1.512 177.008 175.510 -0.024 0.000 1.021 817 N CA 1.043 54.117 53.050 0.040 0.000 0.888 817 N CB 0.133 38.658 38.487 0.063 0.000 0.995 817 N HN -0.167 nan 8.380 nan 0.000 0.437 818 K N -0.043 120.290 120.400 -0.112 0.000 2.367 818 K HA 0.089 4.408 4.320 -0.002 0.000 0.195 818 K C -0.373 176.137 176.600 -0.150 0.000 1.060 818 K CA 0.190 56.415 56.287 -0.102 0.000 1.022 818 K CB 0.043 32.488 32.500 -0.092 0.000 0.894 818 K HN 0.145 nan 8.250 nan 0.000 0.540 819 D N 0.475 120.686 120.400 -0.314 0.000 3.026 819 D HA -0.116 4.523 4.640 -0.002 0.000 0.248 819 D C -0.462 175.727 176.300 -0.185 0.000 1.100 819 D CA 1.360 55.200 54.000 -0.267 0.000 0.855 819 D CB -1.154 39.635 40.800 -0.018 0.000 1.011 819 D HN 0.372 nan 8.370 nan 0.000 0.423 820 G N 0.093 108.656 108.800 -0.395 0.000 2.442 820 G HA2 0.466 4.424 3.960 -0.002 0.000 0.296 820 G HA3 0.466 4.424 3.960 -0.002 0.000 0.296 820 G C -1.228 173.586 174.900 -0.144 0.000 1.564 820 G CA -0.971 44.076 45.100 -0.087 0.000 0.828 820 G HN 0.079 nan 8.290 nan 0.000 0.571 821 F N 0.237 120.334 119.950 0.245 0.000 2.422 821 F HA 0.683 5.209 4.527 -0.002 0.000 0.333 821 F C 0.797 176.815 175.800 0.364 0.000 1.095 821 F CA -0.568 57.634 58.000 0.336 0.000 1.038 821 F CB 1.891 41.197 39.000 0.511 0.000 1.156 821 F HN 0.195 nan 8.300 nan 0.000 0.483 822 I N 3.997 124.874 120.570 0.513 0.000 2.412 822 I HA 0.350 4.519 4.170 -0.002 0.000 0.296 822 I C -0.746 175.659 176.117 0.480 0.000 0.987 822 I CA -0.580 61.002 61.300 0.471 0.000 1.180 822 I CB 1.543 39.741 38.000 0.330 0.000 1.340 822 I HN 0.375 nan 8.210 nan 0.000 0.455 823 I N 6.985 127.822 120.570 0.445 0.000 2.359 823 I HA 0.359 4.527 4.170 -0.002 0.000 0.284 823 I C -0.033 176.368 176.117 0.474 0.000 1.018 823 I CA -0.346 61.154 61.300 0.334 0.000 1.173 823 I CB 0.810 38.802 38.000 -0.014 0.000 1.326 823 I HN 0.489 nan 8.210 nan 0.000 0.462 824 R N 6.229 127.062 120.500 0.556 0.000 2.514 824 R HA 0.370 4.709 4.340 -0.002 0.000 0.301 824 R C -0.484 176.112 176.300 0.492 0.000 0.962 824 R CA -0.634 55.782 56.100 0.526 0.000 0.882 824 R CB 1.294 31.872 30.300 0.464 0.000 1.143 824 R HN 0.613 nan 8.270 nan 0.000 0.452 825 N N 2.173 121.015 118.700 0.237 0.000 2.482 825 N HA 0.015 4.754 4.740 -0.002 0.000 0.260 825 N C 0.116 175.448 175.510 -0.297 0.000 1.236 825 N CA 0.534 53.332 53.050 -0.421 0.000 0.938 825 N CB 1.513 39.581 38.487 -0.698 0.000 1.128 825 N HN 0.741 nan 8.380 nan 0.000 0.448 826 A N 3.219 125.714 122.820 -0.541 0.000 2.095 826 A HA 0.016 4.334 4.320 -0.002 0.000 0.212 826 A C 1.555 179.021 177.584 -0.196 0.000 1.162 826 A CA 0.030 51.863 52.037 -0.341 0.000 0.753 826 A CB -0.311 18.344 19.000 -0.574 0.000 0.840 826 A HN 0.765 nan 8.150 nan 0.000 0.468 827 F N 0.600 120.279 119.950 -0.453 0.000 2.149 827 F HA 0.116 4.642 4.527 -0.002 0.000 0.294 827 F C 0.161 175.778 175.800 -0.306 0.000 1.095 827 F CA 1.287 59.077 58.000 -0.351 0.000 1.276 827 F CB 0.423 39.197 39.000 -0.376 0.000 1.023 827 F HN 0.165 nan 8.300 nan 0.000 0.480 828 D N -0.159 120.004 120.400 -0.395 0.000 2.473 828 D HA 0.144 4.782 4.640 -0.002 0.000 0.253 828 D C 0.343 176.517 176.300 -0.210 0.000 1.233 828 D CA 0.090 53.920 54.000 -0.284 0.000 0.908 828 D CB 1.481 42.246 40.800 -0.058 0.000 1.170 828 D HN 0.218 nan 8.370 nan 0.000 0.558 829 T N -0.214 114.259 114.554 -0.137 0.000 3.194 829 T HA 0.036 4.385 4.350 -0.002 0.000 0.251 829 T C 1.416 176.042 174.700 -0.122 0.000 1.132 829 T CA -0.013 62.066 62.100 -0.035 0.000 1.028 829 T CB 0.095 69.000 68.868 0.060 0.000 0.976 829 T HN 0.089 nan 8.240 nan 0.000 0.535 830 S N 0.490 115.979 115.700 -0.352 0.000 2.522 830 S HA 0.191 4.659 4.470 -0.002 0.000 0.227 830 S C -0.434 173.782 174.600 -0.641 0.000 0.986 830 S CA 0.057 57.906 58.200 -0.585 0.000 0.929 830 S CB -0.216 62.446 63.200 -0.897 0.000 0.769 830 S HN 0.653 nan 8.310 nan 0.000 0.529 831 Y N 0.642 120.994 120.300 0.087 0.000 2.393 831 Y HA 0.593 5.142 4.550 -0.002 0.000 0.341 831 Y C 0.028 176.094 175.900 0.276 0.000 0.988 831 Y CA -1.686 56.528 58.100 0.189 0.000 1.078 831 Y CB 1.125 39.780 38.460 0.324 0.000 1.203 831 Y HN -0.113 nan 8.280 nan 0.000 0.453 832 V N 0.641 120.852 119.914 0.495 0.000 3.040 832 V HA 0.622 4.741 4.120 -0.002 0.000 0.312 832 V C -0.702 175.679 176.094 0.479 0.000 1.115 832 V CA -1.510 61.074 62.300 0.473 0.000 0.998 832 V CB 1.929 33.980 31.823 0.380 0.000 1.042 832 V HN 0.668 nan 8.190 nan 0.000 0.433 833 L N 2.710 124.189 121.223 0.427 0.000 2.455 833 L HA 0.478 4.817 4.340 -0.002 0.000 0.272 833 L C -0.190 177.017 176.870 0.561 0.000 1.174 833 L CA 0.556 55.594 54.840 0.331 0.000 0.869 833 L CB 0.406 42.413 42.059 -0.087 0.000 1.130 833 L HN 0.883 nan 8.230 nan 0.000 0.474 834 D N 2.530 123.200 120.400 0.450 0.000 2.970 834 D HA 0.168 4.807 4.640 -0.002 0.000 0.230 834 D C -1.048 175.411 176.300 0.266 0.000 1.276 834 D CA -0.438 53.771 54.000 0.349 0.000 0.910 834 D CB 2.516 43.496 40.800 0.300 0.000 1.590 834 D HN 0.078 nan 8.370 nan 0.000 0.551 835 V N 5.350 125.352 119.914 0.146 0.000 2.397 835 V HA 0.048 4.167 4.120 -0.002 0.000 0.262 835 V C 0.725 176.762 176.094 -0.095 0.000 1.047 835 V CA -0.530 61.756 62.300 -0.024 0.000 1.003 835 V CB -0.504 31.099 31.823 -0.367 0.000 1.037 835 V HN 0.464 nan 8.190 nan 0.000 0.480 836 F N 5.796 125.661 119.950 -0.141 0.000 2.512 836 F HA -0.034 4.492 4.527 -0.002 0.000 0.406 836 F C 1.230 176.918 175.800 -0.187 0.000 0.990 836 F CA 0.770 58.676 58.000 -0.156 0.000 1.137 836 F CB -0.412 38.508 39.000 -0.134 0.000 0.960 836 F HN 0.817 nan 8.300 nan 0.000 0.533 837 Q N 3.462 122.826 119.800 -0.727 0.000 2.324 837 Q HA -0.227 4.112 4.340 -0.002 0.000 0.200 837 Q C 1.086 176.830 176.000 -0.428 0.000 0.645 837 Q CA 1.092 56.424 55.803 -0.785 0.000 1.377 837 Q CB -1.649 26.271 28.738 -1.364 0.000 1.486 837 Q HN 1.644 nan 8.270 nan 0.000 0.796 838 G N 0.822 109.406 108.800 -0.360 0.000 2.198 838 G HA2 -0.349 3.610 3.960 -0.002 0.000 0.260 838 G HA3 -0.349 3.610 3.960 -0.002 0.000 0.260 838 G C -0.302 174.434 174.900 -0.274 0.000 1.025 838 G CA 0.485 45.435 45.100 -0.250 0.000 0.769 838 G HN 0.375 nan 8.290 nan 0.000 0.507 839 N N -0.411 118.027 118.700 -0.436 0.000 2.422 839 N HA 0.548 5.287 4.740 -0.002 0.000 0.266 839 N C 0.363 175.613 175.510 -0.433 0.000 1.007 839 N CA -1.053 51.819 53.050 -0.297 0.000 0.941 839 N CB 0.346 38.666 38.487 -0.279 0.000 1.115 839 N HN 0.005 nan 8.380 nan 0.000 0.492 840 F N 1.354 121.261 119.950 -0.071 0.000 2.641 840 F HA 0.407 4.933 4.527 -0.002 0.000 0.302 840 F C 1.320 177.071 175.800 -0.082 0.000 1.098 840 F CA -0.449 57.512 58.000 -0.065 0.000 1.318 840 F CB -0.038 38.917 39.000 -0.075 0.000 1.035 840 F HN 0.468 nan 8.300 nan 0.000 0.551 841 A N 0.517 123.336 122.820 -0.002 0.000 2.498 841 A HA 0.070 4.388 4.320 -0.002 0.000 0.239 841 A C 0.517 178.052 177.584 -0.082 0.000 1.068 841 A CA -0.400 51.611 52.037 -0.044 0.000 0.766 841 A CB -0.057 18.920 19.000 -0.039 0.000 1.003 841 A HN 0.243 nan 8.150 nan 0.000 0.497 842 N N 2.499 121.079 118.700 -0.199 0.000 2.294 842 N HA -0.050 4.689 4.740 -0.002 0.000 0.263 842 N C 0.431 175.913 175.510 -0.048 0.000 1.281 842 N CA 0.946 53.771 53.050 -0.374 0.000 0.846 842 N CB -0.003 37.980 38.487 -0.841 0.000 1.061 842 N HN 0.676 nan 8.380 nan 0.000 0.478 843 N N -0.968 117.824 118.700 0.154 0.000 2.997 843 N HA -0.149 4.589 4.740 -0.002 0.000 0.214 843 N C -0.844 174.737 175.510 0.118 0.000 0.904 843 N CA 0.653 53.826 53.050 0.206 0.000 1.021 843 N CB -1.310 37.285 38.487 0.180 0.000 1.040 843 N HN 0.468 nan 8.380 nan 0.000 0.573 844 T N 3.630 118.229 114.554 0.076 0.000 2.908 844 T HA 0.191 4.540 4.350 -0.002 0.000 0.301 844 T C -2.225 172.531 174.700 0.094 0.000 1.019 844 T CA -0.234 61.911 62.100 0.076 0.000 1.152 844 T CB 1.061 69.926 68.868 -0.004 0.000 0.966 844 T HN 0.072 nan 8.240 nan 0.000 0.540 845 P HA 0.179 nan 4.420 nan 0.000 0.271 845 P C -0.295 177.055 177.300 0.083 0.000 1.218 845 P CA -0.552 62.582 63.100 0.057 0.000 0.780 845 P CB 0.423 32.100 31.700 -0.038 0.000 0.901 846 I N 3.590 124.200 120.570 0.066 0.000 2.416 846 I HA 0.209 4.378 4.170 -0.002 0.000 0.288 846 I C 1.050 177.204 176.117 0.062 0.000 1.051 846 I CA -0.434 60.915 61.300 0.083 0.000 1.375 846 I CB -0.362 37.648 38.000 0.017 0.000 1.407 846 I HN 0.355 nan 8.210 nan 0.000 0.516 847 I N 3.119 123.754 120.570 0.110 0.000 3.100 847 I HA 0.734 4.902 4.170 -0.002 0.000 0.312 847 I C 0.214 176.454 176.117 0.205 0.000 1.063 847 I CA -0.658 60.699 61.300 0.094 0.000 1.031 847 I CB 2.111 40.143 38.000 0.054 0.000 1.243 847 I HN 0.557 nan 8.210 nan 0.000 0.483 848 T N 0.062 114.763 114.554 0.244 0.000 2.794 848 T HA 0.637 4.986 4.350 -0.002 0.000 0.280 848 T C -0.991 173.978 174.700 0.448 0.000 0.987 848 T CA -0.457 61.883 62.100 0.400 0.000 0.993 848 T CB 1.067 70.245 68.868 0.517 0.000 0.939 848 T HN 0.666 nan 8.240 nan 0.000 0.449 849 Y N 0.801 121.309 120.300 0.347 0.000 2.597 849 Y HA 0.447 4.996 4.550 -0.002 0.000 0.340 849 Y C -0.376 175.723 175.900 0.332 0.000 1.097 849 Y CA -1.124 57.169 58.100 0.321 0.000 1.037 849 Y CB 1.845 40.427 38.460 0.204 0.000 1.305 849 Y HN 0.734 nan 8.280 nan 0.000 0.463 850 Q N 1.614 121.292 119.800 -0.203 0.000 2.539 850 Q HA 0.083 4.421 4.340 -0.002 0.000 0.268 850 Q C -0.629 175.219 176.000 -0.253 0.000 1.109 850 Q CA 0.340 55.981 55.803 -0.269 0.000 0.968 850 Q CB 0.108 28.562 28.738 -0.474 0.000 1.309 850 Q HN 0.445 nan 8.270 nan 0.000 0.497 851 N N 0.288 118.893 118.700 -0.158 0.000 2.422 851 N HA 0.109 4.848 4.740 -0.002 0.000 0.266 851 N C -1.352 174.167 175.510 0.015 0.000 1.007 851 N CA -0.015 53.026 53.050 -0.014 0.000 0.941 851 N CB 0.421 38.959 38.487 0.085 0.000 1.115 851 N HN 0.473 nan 8.380 nan 0.000 0.492 852 Y N 3.661 124.063 120.300 0.171 0.000 2.531 852 Y HA 0.378 4.927 4.550 -0.002 0.000 0.249 852 Y C 0.886 176.843 175.900 0.095 0.000 1.168 852 Y CA -0.550 57.628 58.100 0.129 0.000 1.226 852 Y CB -0.241 38.309 38.460 0.150 0.000 1.177 852 Y HN 0.540 nan 8.280 nan 0.000 0.527 853 L N -0.037 121.319 121.223 0.221 0.000 3.976 853 L HA -0.361 3.978 4.340 -0.002 0.000 0.418 853 L C -0.126 176.812 176.870 0.114 0.000 1.177 853 L CA 0.229 55.151 54.840 0.137 0.000 0.968 853 L CB -1.314 40.805 42.059 0.100 0.000 1.933 853 L HN 0.290 nan 8.230 nan 0.000 0.976 854 N N 0.583 119.374 118.700 0.152 0.000 2.371 854 N HA 0.004 4.743 4.740 -0.002 0.000 0.243 854 N C 1.014 176.545 175.510 0.035 0.000 1.287 854 N CA -0.128 52.985 53.050 0.105 0.000 0.911 854 N CB 0.475 39.049 38.487 0.145 0.000 1.142 854 N HN 0.078 nan 8.380 nan 0.000 0.451 855 D N -0.099 120.310 120.400 0.014 0.000 2.219 855 D HA -0.111 4.527 4.640 -0.002 0.000 0.205 855 D C 1.114 177.364 176.300 -0.083 0.000 0.970 855 D CA 0.852 54.829 54.000 -0.039 0.000 0.851 855 D CB -0.110 40.669 40.800 -0.035 0.000 0.943 855 D HN 0.568 nan 8.370 nan 0.000 0.488 856 N N 0.211 118.907 118.700 -0.006 0.000 2.461 856 N HA -0.086 4.653 4.740 -0.002 0.000 0.188 856 N C 1.072 176.460 175.510 -0.205 0.000 1.134 856 N CA 0.251 53.285 53.050 -0.027 0.000 0.878 856 N CB -0.053 38.444 38.487 0.015 0.000 0.972 856 N HN 0.248 nan 8.380 nan 0.000 0.456 857 Q N -0.115 119.599 119.800 -0.142 0.000 2.282 857 Q HA 0.358 4.697 4.340 -0.002 0.000 0.206 857 Q C -0.142 175.742 176.000 -0.192 0.000 0.878 857 Q CA -0.039 55.737 55.803 -0.044 0.000 0.944 857 Q CB 0.820 29.635 28.738 0.128 0.000 1.100 857 Q HN 0.287 nan 8.270 nan 0.000 0.509 858 L N -0.132 120.833 121.223 -0.430 0.000 2.334 858 L HA 0.520 4.859 4.340 -0.002 0.000 0.272 858 L C -1.167 175.369 176.870 -0.557 0.000 1.020 858 L CA -0.664 54.009 54.840 -0.278 0.000 0.812 858 L CB 1.147 43.142 42.059 -0.106 0.000 1.264 858 L HN 0.014 nan 8.230 nan 0.000 0.439 859 W N 0.370 121.755 121.300 0.141 0.000 3.127 859 W HA 0.433 5.092 4.660 -0.002 0.000 0.330 859 W C -0.689 175.923 176.519 0.155 0.000 1.187 859 W CA -0.625 56.757 57.345 0.063 0.000 1.198 859 W CB 1.308 30.721 29.460 -0.079 0.000 1.408 859 W HN 0.275 nan 8.180 nan 0.000 0.529 860 N N 1.457 120.325 118.700 0.279 0.000 2.466 860 N HA 0.540 5.278 4.740 -0.002 0.000 0.294 860 N C -1.574 173.885 175.510 -0.085 0.000 1.129 860 N CA -0.590 52.617 53.050 0.262 0.000 0.931 860 N CB 1.577 40.213 38.487 0.248 0.000 1.193 860 N HN 0.202 nan 8.380 nan 0.000 0.500 861 F N 1.199 121.134 119.950 -0.026 0.000 2.434 861 F HA 0.488 5.013 4.527 -0.002 0.000 0.355 861 F C 0.035 175.907 175.800 0.120 0.000 1.115 861 F CA -0.721 57.160 58.000 -0.199 0.000 1.010 861 F CB 0.807 39.265 39.000 -0.903 0.000 1.234 861 F HN 0.151 nan 8.300 nan 0.000 0.439 862 I N 5.152 125.968 120.570 0.410 0.000 2.362 862 I HA 0.387 4.556 4.170 -0.002 0.000 0.289 862 I C -2.368 174.079 176.117 0.550 0.000 0.994 862 I CA -2.461 59.114 61.300 0.458 0.000 1.158 862 I CB 1.353 39.568 38.000 0.359 0.000 1.315 862 I HN 0.254 nan 8.210 nan 0.000 0.451 863 P HA -0.001 nan 4.420 nan 0.000 0.266 863 P C -0.409 176.960 177.300 0.115 0.000 1.186 863 P CA 0.284 63.466 63.100 0.137 0.000 0.767 863 P CB 0.581 32.360 31.700 0.132 0.000 0.820 864 S N 1.620 117.326 115.700 0.010 0.000 2.973 864 S HA 0.731 5.200 4.470 -0.002 0.000 0.317 864 S C -1.032 173.539 174.600 -0.049 0.000 1.196 864 S CA -0.828 57.386 58.200 0.023 0.000 0.894 864 S CB 0.504 63.735 63.200 0.052 0.000 1.292 864 S HN 0.172 nan 8.310 nan 0.000 0.614 865 L N 0.001 121.138 121.223 -0.143 0.000 2.319 865 L HA 0.925 5.263 4.340 -0.002 0.000 0.267 865 L C 0.446 176.917 176.870 -0.665 0.000 1.011 865 L CA -0.585 54.074 54.840 -0.301 0.000 0.818 865 L CB 1.894 43.828 42.059 -0.208 0.000 1.316 865 L HN 1.059 nan 8.230 nan 0.000 0.432 866 G N 0.000 108.219 108.800 -0.969 0.000 5.446 866 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 866 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 866 G CA 0.000 44.486 45.100 -1.024 0.000 0.502 866 G HN 0.000 nan 8.290 nan 0.000 0.925