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 2ezt_1_A DATA FIRST_RESID 9 DATA SEQUENCE TNILAGAAVI KVLEAWGVDH LYGIPGGSIN SIMDALSAER DRIHYIQVRH DATA SEQUENCE EEVGAMAAAA DAKLTGKIGV CFGSAGPGGT HLMNGLYDAR EDHVPVLALI DATA SEQUENCE GQFGTTGMNM DTFQEMNENP IYADVADYNV TAVNAATLPH VIDEAIRRAY DATA SEQUENCE AHQGVAVVQI PVDLPWQQIP AEDWYASANS YQTPLLPEPD VQAVTRLTQT DATA SEQUENCE LLAAERPLIY YGIGARKAGK ELEQLSKTLK IPLMSTYPAK GIVADRYPAY DATA SEQUENCE LGSANRVAQK PANEALAQAD VVLFVGNNYP FAEVSKAFKN TRYFLQIDID DATA SEQUENCE PAKLGKRHKT DIAVLADAQK TLAAILAQVS ERESTPWWQA NLANVKNWRA DATA SEQUENCE YLASLEDKQE GPLQAYQVLR AVNKIAEPDA IYSIDVGDIN LNANRHLKLT DATA SEQUENCE PSNRHITSNL FATMGVGIPG AIAAKLNYPE RQVFNLAGDG GASMTMQDLA DATA SEQUENCE TQVQYHLPVI NVVFTNCQYG WIKDEQEDTN QNDFIGVEFN DIDFSKIADG DATA SEQUENCE VHMQAFRVNK IEQLPDVFEQ AKAIAQHEPV LIDAVITGDR PLPAEKLRLD DATA SEQUENCE SAMSSAADIE AFKQRYEAQD LQPLSTYLKQ FGLDD 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.735 174.700 0.059 0.000 1.109 9 T CA 0.000 62.126 62.100 0.043 0.000 1.349 9 T CB 0.000 68.887 68.868 0.031 0.000 0.612 10 N N 0.214 118.951 118.700 0.061 0.000 2.312 10 N HA 0.792 5.532 4.740 -0.000 0.000 0.296 10 N C -1.612 173.945 175.510 0.078 0.000 1.193 10 N CA -0.703 52.389 53.050 0.070 0.000 0.773 10 N CB 2.932 41.449 38.487 0.051 0.000 1.435 10 N HN 0.347 nan 8.380 nan 0.000 0.484 11 I N 0.892 121.512 120.570 0.082 0.000 2.865 11 I HA 0.387 4.557 4.170 -0.000 0.000 0.302 11 I C -1.340 174.785 176.117 0.013 0.000 1.140 11 I CA -0.853 60.480 61.300 0.055 0.000 1.021 11 I CB 1.624 39.675 38.000 0.085 0.000 1.233 11 I HN 0.363 nan 8.210 nan 0.000 0.427 12 L N 6.236 127.454 121.223 -0.008 0.000 2.416 12 L HA 0.255 4.595 4.340 -0.000 0.000 0.272 12 L C 1.542 178.355 176.870 -0.095 0.000 1.161 12 L CA 0.119 54.948 54.840 -0.018 0.000 0.845 12 L CB 1.215 43.283 42.059 0.015 0.000 1.119 12 L HN 0.862 nan 8.230 nan 0.000 0.464 13 A N 3.610 126.375 122.820 -0.090 0.000 1.927 13 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 13 A C 2.160 179.613 177.584 -0.219 0.000 1.185 13 A CA 2.143 54.091 52.037 -0.148 0.000 0.639 13 A CB -1.101 17.840 19.000 -0.098 0.000 0.820 13 A HN 0.993 nan 8.150 nan 0.000 0.451 14 G N -0.796 107.878 108.800 -0.209 0.000 2.418 14 G HA2 0.004 3.964 3.960 -0.000 0.000 0.217 14 G HA3 0.004 3.964 3.960 -0.000 0.000 0.217 14 G C 1.758 176.509 174.900 -0.250 0.000 1.158 14 G CA 1.499 46.445 45.100 -0.256 0.000 0.771 14 G HN 0.858 nan 8.290 nan 0.000 0.545 15 A N 1.336 124.030 122.820 -0.209 0.000 1.883 15 A HA 0.173 4.493 4.320 -0.000 0.000 0.217 15 A C 2.850 180.228 177.584 -0.343 0.000 1.186 15 A CA 2.526 54.439 52.037 -0.208 0.000 0.624 15 A CB -0.942 17.981 19.000 -0.128 0.000 0.822 15 A HN 0.855 nan 8.150 nan 0.000 0.444 16 A N -0.686 121.835 122.820 -0.499 0.000 1.902 16 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 16 A C 2.241 179.353 177.584 -0.787 0.000 1.181 16 A CA 1.822 53.255 52.037 -1.008 0.000 0.623 16 A CB -1.011 17.255 19.000 -1.222 0.000 0.818 16 A HN 0.422 nan 8.150 nan 0.000 0.443 17 V N 0.716 120.353 119.914 -0.461 0.000 2.287 17 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 17 V C 2.438 178.381 176.094 -0.250 0.000 1.053 17 V CA 1.942 64.057 62.300 -0.308 0.000 1.027 17 V CB -0.667 31.006 31.823 -0.249 0.000 0.646 17 V HN 0.540 nan 8.190 nan 0.000 0.447 18 I N -0.444 119.978 120.570 -0.247 0.000 2.252 18 I HA -0.133 4.037 4.170 -0.000 0.000 0.245 18 I C 2.459 178.495 176.117 -0.135 0.000 1.102 18 I CA 1.378 62.571 61.300 -0.177 0.000 1.385 18 I CB -1.341 36.559 38.000 -0.167 0.000 1.064 18 I HN 0.294 nan 8.210 nan 0.000 0.414 19 K N 1.051 121.337 120.400 -0.190 0.000 2.063 19 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 19 K C 2.307 178.928 176.600 0.036 0.000 1.048 19 K CA 0.856 57.093 56.287 -0.083 0.000 0.928 19 K CB -1.122 31.304 32.500 -0.122 0.000 0.713 19 K HN 0.189 nan 8.250 nan 0.000 0.442 20 V N 1.912 121.806 119.914 -0.033 0.000 2.282 20 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 20 V C 2.429 178.666 176.094 0.237 0.000 1.057 20 V CA 1.673 64.078 62.300 0.175 0.000 1.032 20 V CB -0.507 31.375 31.823 0.099 0.000 0.645 20 V HN 0.209 nan 8.190 nan 0.000 0.447 21 L N -0.539 120.735 121.223 0.084 0.000 2.046 21 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 21 L C 2.569 179.497 176.870 0.096 0.000 1.077 21 L CA 1.715 56.598 54.840 0.073 0.000 0.747 21 L CB -0.684 41.358 42.059 -0.028 0.000 0.896 21 L HN 0.406 nan 8.230 nan 0.000 0.432 22 E N 0.314 120.547 120.200 0.056 0.000 2.072 22 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 22 E C 2.328 178.968 176.600 0.068 0.000 0.985 22 E CA 1.119 57.545 56.400 0.043 0.000 0.801 22 E CB -0.183 29.529 29.700 0.020 0.000 0.750 22 E HN 0.481 nan 8.360 nan 0.000 0.452 23 A N 0.498 123.375 122.820 0.095 0.000 1.978 23 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 23 A C 1.400 178.946 177.584 -0.064 0.000 1.170 23 A CA 1.017 53.063 52.037 0.014 0.000 0.636 23 A CB -0.837 18.176 19.000 0.022 0.000 0.810 23 A HN 0.372 nan 8.150 nan 0.000 0.448 24 W N -0.924 120.374 121.300 -0.003 0.000 3.180 24 W HA 0.369 5.029 4.660 -0.000 0.000 0.254 24 W C 1.546 178.040 176.519 -0.042 0.000 1.318 24 W CA 0.820 58.150 57.345 -0.025 0.000 1.608 24 W CB -0.009 29.445 29.460 -0.011 0.000 1.124 24 W HN 0.567 nan 8.180 nan 0.000 0.694 25 G N 0.180 109.049 108.800 0.116 0.000 2.137 25 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.237 25 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.237 25 G C -0.051 174.867 174.900 0.031 0.000 1.002 25 G CA -0.075 45.057 45.100 0.052 0.000 0.702 25 G HN 0.014 nan 8.290 nan 0.000 0.515 26 V N 0.737 120.669 119.914 0.030 0.000 2.446 26 V HA 0.260 4.380 4.120 -0.000 0.000 0.276 26 V C 1.451 177.501 176.094 -0.073 0.000 1.030 26 V CA 1.115 63.385 62.300 -0.051 0.000 1.033 26 V CB 1.341 33.132 31.823 -0.053 0.000 0.993 26 V HN 0.493 nan 8.190 nan 0.000 0.477 27 D N 3.043 123.366 120.400 -0.128 0.000 2.201 27 D HA -0.009 4.631 4.640 -0.000 0.000 0.209 27 D C 0.728 177.055 176.300 0.045 0.000 0.961 27 D CA 0.812 54.806 54.000 -0.010 0.000 0.861 27 D CB 0.352 41.184 40.800 0.053 0.000 0.997 27 D HN 0.808 nan 8.370 nan 0.000 0.486 28 H N -1.276 117.761 119.070 -0.055 0.000 2.980 28 H HA 0.545 5.101 4.556 -0.000 0.000 0.367 28 H C -0.775 174.387 175.328 -0.278 0.000 1.206 28 H CA -1.181 54.771 56.048 -0.161 0.000 1.126 28 H CB 1.136 30.750 29.762 -0.247 0.000 1.838 28 H HN 0.115 nan 8.280 nan 0.000 0.552 29 L N -0.691 120.401 121.223 -0.218 0.000 2.479 29 L HA 0.697 5.037 4.340 -0.000 0.000 0.255 29 L C -2.023 174.677 176.870 -0.283 0.000 1.026 29 L CA -1.197 53.510 54.840 -0.222 0.000 0.842 29 L CB 2.472 44.570 42.059 0.065 0.000 1.444 29 L HN 0.497 nan 8.230 nan 0.000 0.409 30 Y N 0.110 120.468 120.300 0.097 0.000 2.446 30 Y HA 0.966 5.516 4.550 -0.000 0.000 0.345 30 Y C 0.638 176.331 175.900 -0.346 0.000 0.984 30 Y CA -0.043 58.016 58.100 -0.068 0.000 1.058 30 Y CB 2.424 40.828 38.460 -0.093 0.000 1.220 30 Y HN 1.066 nan 8.280 nan 0.000 0.455 31 G N 1.227 109.855 108.800 -0.286 0.000 2.336 31 G HA2 0.449 4.409 3.960 -0.000 0.000 0.286 31 G HA3 0.449 4.409 3.960 -0.000 0.000 0.286 31 G C -2.213 172.529 174.900 -0.263 0.000 1.269 31 G CA -0.925 43.697 45.100 -0.797 0.000 0.873 31 G HN 0.494 nan 8.290 nan 0.000 0.494 32 I N 2.163 122.608 120.570 -0.208 0.000 2.533 32 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 32 I C -2.175 174.136 176.117 0.322 0.000 1.056 32 I CA -2.026 59.370 61.300 0.160 0.000 1.057 32 I CB 2.946 41.004 38.000 0.096 0.000 1.240 32 I HN 0.294 nan 8.210 nan 0.000 0.423 33 P HA 0.364 nan 4.420 nan 0.000 0.274 33 P C -0.430 176.968 177.300 0.162 0.000 1.237 33 P CA -0.026 63.217 63.100 0.238 0.000 0.793 33 P CB 1.356 33.141 31.700 0.142 0.000 0.977 34 G N -0.919 107.947 108.800 0.110 0.000 2.660 34 G HA2 0.450 4.410 3.960 -0.000 0.000 0.290 34 G HA3 0.450 4.410 3.960 -0.000 0.000 0.290 34 G C 0.780 175.717 174.900 0.061 0.000 1.432 34 G CA -0.153 45.004 45.100 0.094 0.000 0.807 34 G HN 0.462 nan 8.290 nan 0.000 0.485 35 G N 0.200 109.050 108.800 0.084 0.000 2.505 35 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 35 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 35 G C 2.064 176.975 174.900 0.018 0.000 1.145 35 G CA 2.362 47.506 45.100 0.073 0.000 0.761 35 G HN 1.550 nan 8.290 nan 0.000 0.571 36 S N -0.676 115.041 115.700 0.028 0.000 2.547 36 S HA 0.170 4.640 4.470 -0.000 0.000 0.235 36 S C 1.585 176.131 174.600 -0.091 0.000 0.980 36 S CA 0.892 59.083 58.200 -0.015 0.000 0.941 36 S CB 0.039 63.270 63.200 0.051 0.000 0.763 36 S HN 0.353 nan 8.310 nan 0.000 0.532 37 I N 0.119 120.621 120.570 -0.113 0.000 4.026 37 I HA 0.311 4.481 4.170 -0.000 0.000 0.324 37 I C 0.647 176.575 176.117 -0.314 0.000 1.474 37 I CA -0.112 61.054 61.300 -0.223 0.000 1.107 37 I CB 0.395 38.296 38.000 -0.166 0.000 1.345 37 I HN -0.003 nan 8.210 nan 0.000 0.531 38 N N 0.640 119.180 118.700 -0.265 0.000 2.396 38 N HA -0.103 4.636 4.740 -0.000 0.000 0.180 38 N C 1.977 177.181 175.510 -0.510 0.000 1.028 38 N CA 1.550 54.461 53.050 -0.232 0.000 0.893 38 N CB 0.099 38.605 38.487 0.031 0.000 0.967 38 N HN 0.504 nan 8.380 nan 0.000 0.440 39 S N -0.195 114.855 115.700 -1.084 0.000 2.436 39 S HA 0.047 4.517 4.470 -0.000 0.000 0.228 39 S C 1.853 175.959 174.600 -0.823 0.000 1.014 39 S CA 0.275 57.506 58.200 -1.615 0.000 0.950 39 S CB -0.034 61.812 63.200 -2.256 0.000 0.784 39 S HN 0.066 nan 8.310 nan 0.000 0.504 40 I N 1.574 121.768 120.570 -0.626 0.000 2.333 40 I HA 0.012 4.182 4.170 -0.000 0.000 0.246 40 I C 2.342 178.173 176.117 -0.478 0.000 1.106 40 I CA 0.990 61.983 61.300 -0.512 0.000 1.411 40 I CB -1.054 36.626 38.000 -0.532 0.000 1.082 40 I HN 0.291 nan 8.210 nan 0.000 0.420 41 M N 0.232 119.546 119.600 -0.477 0.000 2.106 41 M HA -0.241 4.239 4.480 -0.000 0.000 0.259 41 M C 1.960 178.114 176.300 -0.242 0.000 1.068 41 M CA 1.659 56.727 55.300 -0.386 0.000 1.100 41 M CB -1.461 30.970 32.600 -0.282 0.000 1.351 41 M HN 0.153 nan 8.290 nan 0.000 0.404 42 D N 0.000 120.285 120.400 -0.192 0.000 2.117 42 D HA -0.041 4.599 4.640 -0.000 0.000 0.197 42 D C 1.928 178.179 176.300 -0.082 0.000 0.987 42 D CA 1.623 55.593 54.000 -0.051 0.000 0.829 42 D CB 0.074 40.953 40.800 0.133 0.000 0.961 42 D HN 0.298 nan 8.370 nan 0.000 0.460 43 A N 0.250 122.968 122.820 -0.169 0.000 1.877 43 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 43 A C 2.487 179.985 177.584 -0.142 0.000 1.186 43 A CA 0.979 52.923 52.037 -0.156 0.000 0.620 43 A CB -0.855 18.015 19.000 -0.217 0.000 0.822 43 A HN 0.325 nan 8.150 nan 0.000 0.443 44 L N -0.628 120.484 121.223 -0.185 0.000 2.079 44 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 44 L C 2.937 179.759 176.870 -0.080 0.000 1.081 44 L CA 1.560 56.309 54.840 -0.152 0.000 0.752 44 L CB -0.421 41.501 42.059 -0.228 0.000 0.896 44 L HN 0.510 nan 8.230 nan 0.000 0.433 45 S N -0.350 115.308 115.700 -0.070 0.000 2.356 45 S HA -0.184 4.286 4.470 -0.000 0.000 0.223 45 S C 2.089 176.687 174.600 -0.003 0.000 1.032 45 S CA 1.245 59.437 58.200 -0.013 0.000 1.005 45 S CB -0.131 63.066 63.200 -0.004 0.000 0.867 45 S HN 0.459 nan 8.310 nan 0.000 0.449 46 A N 0.451 123.261 122.820 -0.016 0.000 2.125 46 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 46 A C 1.733 179.308 177.584 -0.016 0.000 1.156 46 A CA 1.272 53.304 52.037 -0.009 0.000 0.671 46 A CB -0.220 18.773 19.000 -0.012 0.000 0.794 46 A HN 0.490 nan 8.150 nan 0.000 0.459 47 E N -0.826 119.353 120.200 -0.034 0.000 2.548 47 E HA 0.025 4.375 4.350 -0.000 0.000 0.206 47 E C 1.533 178.096 176.600 -0.061 0.000 1.005 47 E CA 0.072 56.442 56.400 -0.050 0.000 0.951 47 E CB 0.095 29.749 29.700 -0.076 0.000 1.035 47 E HN 0.870 nan 8.360 nan 0.000 0.470 48 R N 0.141 120.630 120.500 -0.019 0.000 2.241 48 R HA -0.062 4.278 4.340 -0.000 0.000 0.224 48 R C 0.628 176.936 176.300 0.014 0.000 1.101 48 R CA 1.144 57.249 56.100 0.010 0.000 0.995 48 R CB -0.016 30.334 30.300 0.084 0.000 0.870 48 R HN -0.164 nan 8.270 nan 0.000 0.463 49 D N 0.687 121.096 120.400 0.015 0.000 2.277 49 D HA -0.012 4.628 4.640 -0.000 0.000 0.208 49 D C 1.542 177.851 176.300 0.014 0.000 0.962 49 D CA 0.840 54.880 54.000 0.067 0.000 0.865 49 D CB 0.187 41.018 40.800 0.053 0.000 0.939 49 D HN 0.389 nan 8.370 nan 0.000 0.510 50 R N -0.738 119.683 120.500 -0.132 0.000 2.287 50 R HA 0.374 4.714 4.340 -0.000 0.000 0.197 50 R C 0.508 176.608 176.300 -0.334 0.000 0.900 50 R CA -0.035 55.978 56.100 -0.145 0.000 1.052 50 R CB 1.654 31.916 30.300 -0.065 0.000 1.117 50 R HN 0.067 nan 8.270 nan 0.000 0.568 51 I N 1.279 121.556 120.570 -0.488 0.000 2.582 51 I HA 0.282 4.452 4.170 -0.000 0.000 0.292 51 I C -1.257 174.514 176.117 -0.577 0.000 1.066 51 I CA -0.950 60.069 61.300 -0.469 0.000 1.053 51 I CB 1.928 39.816 38.000 -0.186 0.000 1.241 51 I HN 0.089 nan 8.210 nan 0.000 0.421 52 H N 6.922 126.016 119.070 0.040 0.000 2.638 52 H HA 0.166 4.722 4.556 -0.000 0.000 0.303 52 H C -1.330 174.022 175.328 0.040 0.000 1.034 52 H CA -0.425 55.650 56.048 0.045 0.000 1.225 52 H CB 0.985 30.758 29.762 0.019 0.000 1.394 52 H HN 0.495 nan 8.280 nan 0.000 0.477 53 Y N 4.734 125.064 120.300 0.051 0.000 2.402 53 Y HA 0.158 4.708 4.550 -0.000 0.000 0.333 53 Y C -0.617 175.266 175.900 -0.028 0.000 1.076 53 Y CA -0.785 57.337 58.100 0.035 0.000 1.299 53 Y CB 0.424 38.945 38.460 0.102 0.000 1.197 53 Y HN 0.423 nan 8.280 nan 0.000 0.517 54 I N 7.553 127.709 120.570 -0.690 0.000 2.330 54 I HA 0.159 4.329 4.170 -0.000 0.000 0.286 54 I C -0.162 175.467 176.117 -0.813 0.000 1.025 54 I CA -0.626 60.166 61.300 -0.847 0.000 1.197 54 I CB 1.107 38.695 38.000 -0.687 0.000 1.358 54 I HN 0.628 nan 8.210 nan 0.000 0.467 55 Q N 7.149 126.552 119.800 -0.661 0.000 2.323 55 Q HA 0.320 4.660 4.340 -0.000 0.000 0.257 55 Q C -0.641 175.374 176.000 0.025 0.000 1.022 55 Q CA -0.185 55.445 55.803 -0.288 0.000 0.919 55 Q CB 1.459 30.184 28.738 -0.021 0.000 1.220 55 Q HN 0.608 nan 8.270 nan 0.000 0.427 56 V N 3.008 122.939 119.914 0.029 0.000 3.234 56 V HA 0.500 4.620 4.120 -0.000 0.000 0.317 56 V C 0.679 176.820 176.094 0.079 0.000 1.081 56 V CA -0.629 61.711 62.300 0.066 0.000 1.037 56 V CB 1.429 33.275 31.823 0.039 0.000 1.148 56 V HN 0.735 nan 8.190 nan 0.000 0.453 57 R N -0.440 120.111 120.500 0.083 0.000 2.334 57 R HA 0.328 4.668 4.340 -0.000 0.000 0.212 57 R C 0.170 176.545 176.300 0.125 0.000 0.897 57 R CA 0.328 56.482 56.100 0.091 0.000 1.056 57 R CB -0.454 29.891 30.300 0.076 0.000 1.046 57 R HN 0.936 nan 8.270 nan 0.000 0.513 58 H N 0.075 119.142 119.070 -0.006 0.000 3.026 58 H HA 0.175 4.731 4.556 -0.000 0.000 0.352 58 H C -0.197 175.101 175.328 -0.050 0.000 1.090 58 H CA -0.222 55.799 56.048 -0.045 0.000 1.268 58 H CB 1.743 31.428 29.762 -0.128 0.000 1.816 58 H HN -0.213 nan 8.280 nan 0.000 0.518 59 E N 2.188 122.421 120.200 0.055 0.000 2.265 59 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 59 E C 1.762 178.452 176.600 0.149 0.000 0.996 59 E CA 1.378 57.835 56.400 0.095 0.000 0.832 59 E CB 0.171 29.928 29.700 0.096 0.000 0.756 59 E HN 0.781 nan 8.360 nan 0.000 0.491 60 E N 0.564 120.951 120.200 0.311 0.000 2.106 60 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 60 E C 1.839 178.440 176.600 0.002 0.000 0.984 60 E CA 1.264 57.735 56.400 0.119 0.000 0.806 60 E CB -0.234 29.472 29.700 0.011 0.000 0.750 60 E HN 0.120 nan 8.360 nan 0.000 0.458 61 V N 1.605 121.507 119.914 -0.020 0.000 2.407 61 V HA -0.168 3.952 4.120 -0.000 0.000 0.248 61 V C 2.519 178.500 176.094 -0.188 0.000 1.055 61 V CA 1.943 64.186 62.300 -0.094 0.000 1.049 61 V CB -0.854 30.930 31.823 -0.066 0.000 0.662 61 V HN 0.567 nan 8.190 nan 0.000 0.455 62 G N -0.449 108.266 108.800 -0.141 0.000 2.402 62 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 62 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 62 G C 1.765 176.536 174.900 -0.215 0.000 1.162 62 G CA 0.991 45.964 45.100 -0.211 0.000 0.777 62 G HN 0.595 nan 8.290 nan 0.000 0.539 63 A N 0.505 123.270 122.820 -0.091 0.000 1.898 63 A HA 0.083 4.403 4.320 -0.000 0.000 0.216 63 A C 2.453 179.984 177.584 -0.088 0.000 1.181 63 A CA 1.737 53.743 52.037 -0.052 0.000 0.620 63 A CB -0.335 18.673 19.000 0.012 0.000 0.819 63 A HN 0.372 nan 8.150 nan 0.000 0.442 64 M N -0.567 118.972 119.600 -0.102 0.000 2.132 64 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 64 M C 2.494 178.696 176.300 -0.164 0.000 1.065 64 M CA 1.370 56.614 55.300 -0.094 0.000 1.122 64 M CB -0.325 32.234 32.600 -0.068 0.000 1.365 64 M HN 0.475 nan 8.290 nan 0.000 0.411 65 A N 0.287 122.901 122.820 -0.343 0.000 1.933 65 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 65 A C 2.346 179.741 177.584 -0.315 0.000 1.175 65 A CA 1.851 53.583 52.037 -0.509 0.000 0.628 65 A CB -0.942 17.365 19.000 -1.155 0.000 0.814 65 A HN 0.494 nan 8.150 nan 0.000 0.444 66 A N -0.064 122.609 122.820 -0.245 0.000 1.902 66 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 66 A C 2.511 180.108 177.584 0.022 0.000 1.181 66 A CA 2.148 54.232 52.037 0.079 0.000 0.623 66 A CB -1.029 18.036 19.000 0.107 0.000 0.818 66 A HN 1.050 nan 8.150 nan 0.000 0.443 67 A N -0.119 122.683 122.820 -0.031 0.000 1.877 67 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 67 A C 2.532 180.112 177.584 -0.007 0.000 1.186 67 A CA 2.239 54.259 52.037 -0.028 0.000 0.620 67 A CB -1.087 17.891 19.000 -0.036 0.000 0.822 67 A HN 1.082 nan 8.150 nan 0.000 0.443 68 A N -0.152 122.666 122.820 -0.003 0.000 1.902 68 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 68 A C 1.807 179.438 177.584 0.079 0.000 1.181 68 A CA 1.852 53.906 52.037 0.028 0.000 0.623 68 A CB -0.688 18.323 19.000 0.018 0.000 0.818 68 A HN 0.476 nan 8.150 nan 0.000 0.443 69 D N 0.166 120.636 120.400 0.116 0.000 2.160 69 D HA -0.213 4.427 4.640 -0.000 0.000 0.189 69 D C 2.247 178.606 176.300 0.099 0.000 1.003 69 D CA 2.010 56.105 54.000 0.159 0.000 0.846 69 D CB -0.488 40.431 40.800 0.198 0.000 0.949 69 D HN 0.431 nan 8.370 nan 0.000 0.446 70 A N 0.882 123.735 122.820 0.055 0.000 1.902 70 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 70 A C 2.085 179.702 177.584 0.055 0.000 1.181 70 A CA 1.651 53.710 52.037 0.037 0.000 0.623 70 A CB -0.392 18.599 19.000 -0.015 0.000 0.818 70 A HN 0.191 nan 8.150 nan 0.000 0.443 71 K N -0.479 119.944 120.400 0.038 0.000 2.063 71 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 71 K C 1.808 178.449 176.600 0.068 0.000 1.048 71 K CA 1.539 57.844 56.287 0.030 0.000 0.928 71 K CB -0.357 32.145 32.500 0.003 0.000 0.713 71 K HN 0.475 nan 8.250 nan 0.000 0.442 72 L N -0.034 121.257 121.223 0.114 0.000 2.127 72 L HA -0.092 4.248 4.340 -0.000 0.000 0.203 72 L C 2.469 179.472 176.870 0.223 0.000 1.080 72 L CA 1.426 56.379 54.840 0.188 0.000 0.768 72 L CB -0.273 41.963 42.059 0.295 0.000 0.924 72 L HN 0.343 nan 8.230 nan 0.000 0.444 73 T N -5.303 109.356 114.554 0.173 0.000 2.971 73 T HA 0.266 4.616 4.350 -0.000 0.000 0.252 73 T C 1.450 176.229 174.700 0.133 0.000 1.022 73 T CA 0.481 62.671 62.100 0.151 0.000 0.980 73 T CB 0.914 69.830 68.868 0.080 0.000 1.044 73 T HN 0.371 nan 8.240 nan 0.000 0.501 74 G N 1.679 110.559 108.800 0.133 0.000 2.184 74 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.264 74 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.264 74 G C -0.020 175.017 174.900 0.228 0.000 0.975 74 G CA 0.525 45.725 45.100 0.167 0.000 0.642 74 G HN 0.940 nan 8.290 nan 0.000 0.536 75 K N 0.672 121.168 120.400 0.161 0.000 2.156 75 K HA 0.663 4.983 4.320 -0.000 0.000 0.271 75 K C 0.721 177.329 176.600 0.014 0.000 0.995 75 K CA -1.102 55.290 56.287 0.175 0.000 0.890 75 K CB 0.872 33.427 32.500 0.092 0.000 1.073 75 K HN 0.364 nan 8.250 nan 0.000 0.454 76 I N 3.868 124.331 120.570 -0.178 0.000 2.821 76 I HA 0.029 4.199 4.170 -0.000 0.000 0.294 76 I C 0.372 176.372 176.117 -0.196 0.000 1.210 76 I CA 0.715 61.773 61.300 -0.404 0.000 1.430 76 I CB 0.147 37.673 38.000 -0.790 0.000 1.356 76 I HN 0.854 nan 8.210 nan 0.000 0.563 77 G N 6.330 115.048 108.800 -0.136 0.000 2.476 77 G HA2 0.511 4.471 3.960 -0.000 0.000 0.269 77 G HA3 0.511 4.471 3.960 -0.000 0.000 0.269 77 G C -1.033 173.840 174.900 -0.046 0.000 1.195 77 G CA -0.453 44.625 45.100 -0.038 0.000 0.843 77 G HN 0.537 nan 8.290 nan 0.000 0.545 78 V N 0.943 120.875 119.914 0.029 0.000 2.577 78 V HA 0.531 4.651 4.120 -0.000 0.000 0.303 78 V C 0.199 176.390 176.094 0.162 0.000 1.042 78 V CA -0.801 61.521 62.300 0.036 0.000 0.872 78 V CB 0.801 32.613 31.823 -0.018 0.000 0.998 78 V HN 1.227 nan 8.190 nan 0.000 0.423 79 C N 3.489 122.875 119.300 0.143 0.000 3.154 79 C HA 1.033 5.493 4.460 -0.000 0.000 0.312 79 C C -0.907 174.198 174.990 0.191 0.000 1.349 79 C CA -1.055 58.057 59.018 0.156 0.000 1.518 79 C CB 1.452 29.244 27.740 0.086 0.000 1.934 79 C HN 1.030 nan 8.230 nan 0.000 0.462 80 F N -0.658 119.334 119.950 0.069 0.000 2.668 80 F HA 0.898 5.425 4.527 -0.000 0.000 0.309 80 F C -0.358 175.469 175.800 0.045 0.000 1.117 80 F CA -0.287 57.721 58.000 0.014 0.000 0.951 80 F CB 1.350 40.336 39.000 -0.024 0.000 1.323 80 F HN 1.139 nan 8.300 nan 0.000 0.451 81 G N 0.583 109.511 108.800 0.214 0.000 2.659 81 G HA2 0.553 4.513 3.960 -0.000 0.000 0.296 81 G HA3 0.553 4.513 3.960 -0.000 0.000 0.296 81 G C -1.347 173.665 174.900 0.188 0.000 1.369 81 G CA -0.685 44.506 45.100 0.151 0.000 0.937 81 G HN 1.040 nan 8.290 nan 0.000 0.485 82 S N 0.324 116.120 115.700 0.159 0.000 2.608 82 S HA 0.639 5.109 4.470 -0.000 0.000 0.261 82 S C 0.984 175.625 174.600 0.068 0.000 1.314 82 S CA 0.109 58.374 58.200 0.108 0.000 0.992 82 S CB 1.050 64.312 63.200 0.102 0.000 0.935 82 S HN 1.840 nan 8.310 nan 0.000 0.564 83 A N 0.851 123.703 122.820 0.054 0.000 2.555 83 A HA 0.502 4.822 4.320 -0.000 0.000 0.233 83 A C 1.521 179.113 177.584 0.013 0.000 1.060 83 A CA 0.340 52.404 52.037 0.045 0.000 0.759 83 A CB -1.495 17.540 19.000 0.058 0.000 0.995 83 A HN 2.430 nan 8.150 nan 0.000 0.506 84 G N 2.047 110.855 108.800 0.014 0.000 2.574 84 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.301 84 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.301 84 G C -0.596 174.282 174.900 -0.036 0.000 1.166 84 G CA 0.446 45.527 45.100 -0.032 0.000 0.971 84 G HN 0.867 nan 8.290 nan 0.000 0.542 85 P HA -0.050 nan 4.420 nan 0.000 0.219 85 P C 1.956 179.128 177.300 -0.214 0.000 1.146 85 P CA 2.622 65.604 63.100 -0.196 0.000 0.808 85 P CB -0.729 30.834 31.700 -0.229 0.000 0.779 86 G N 0.540 109.292 108.800 -0.080 0.000 2.433 86 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 86 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 86 G C 1.888 176.833 174.900 0.075 0.000 1.186 86 G CA 1.010 46.111 45.100 0.002 0.000 0.779 86 G HN 0.381 nan 8.290 nan 0.000 0.543 87 G N 0.337 109.205 108.800 0.113 0.000 2.403 87 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.216 87 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.216 87 G C 1.976 177.053 174.900 0.295 0.000 1.154 87 G CA 2.029 47.263 45.100 0.222 0.000 0.784 87 G HN 0.576 nan 8.290 nan 0.000 0.538 88 T N -2.341 112.314 114.554 0.168 0.000 2.995 88 T HA -0.045 4.305 4.350 -0.000 0.000 0.269 88 T C 1.879 176.695 174.700 0.193 0.000 1.091 88 T CA 1.253 63.420 62.100 0.111 0.000 1.128 88 T CB -0.584 68.287 68.868 0.005 0.000 0.891 88 T HN 0.531 nan 8.240 nan 0.000 0.492 89 H N 0.636 119.764 119.070 0.096 0.000 2.489 89 H HA 0.152 4.708 4.556 -0.000 0.000 0.293 89 H C 1.873 177.301 175.328 0.167 0.000 1.066 89 H CA 0.729 56.851 56.048 0.124 0.000 1.305 89 H CB -0.151 29.609 29.762 -0.003 0.000 1.386 89 H HN 0.312 nan 8.280 nan 0.000 0.551 90 L N -0.089 121.296 121.223 0.269 0.000 2.275 90 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 90 L C 2.172 179.157 176.870 0.192 0.000 1.119 90 L CA 0.075 55.032 54.840 0.194 0.000 0.790 90 L CB -0.199 41.961 42.059 0.168 0.000 0.919 90 L HN 0.355 nan 8.230 nan 0.000 0.443 91 M N -0.019 119.722 119.600 0.235 0.000 2.089 91 M HA -0.258 4.222 4.480 -0.000 0.000 0.257 91 M C 1.904 178.372 176.300 0.281 0.000 1.071 91 M CA 1.859 57.321 55.300 0.271 0.000 1.096 91 M CB -1.414 31.342 32.600 0.260 0.000 1.330 91 M HN 0.285 nan 8.290 nan 0.000 0.403 92 N N 0.064 118.913 118.700 0.249 0.000 2.244 92 N HA -0.061 4.679 4.740 -0.000 0.000 0.183 92 N C 1.771 177.410 175.510 0.214 0.000 1.016 92 N CA 1.489 54.732 53.050 0.322 0.000 0.866 92 N CB -0.543 38.103 38.487 0.264 0.000 0.980 92 N HN 0.497 nan 8.380 nan 0.000 0.430 93 G N 0.207 109.078 108.800 0.119 0.000 2.403 93 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.216 93 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.216 93 G C 1.388 176.284 174.900 -0.007 0.000 1.154 93 G CA 0.243 45.371 45.100 0.047 0.000 0.784 93 G HN 0.198 nan 8.290 nan 0.000 0.538 94 L N -1.123 120.097 121.223 -0.006 0.000 2.109 94 L HA 0.004 4.344 4.340 -0.000 0.000 0.207 94 L C 2.592 179.299 176.870 -0.271 0.000 1.086 94 L CA 0.790 55.568 54.840 -0.104 0.000 0.760 94 L CB -0.429 41.591 42.059 -0.065 0.000 0.910 94 L HN 0.154 nan 8.230 nan 0.000 0.437 95 Y N 0.220 120.300 120.300 -0.367 0.000 2.314 95 Y HA -0.245 4.305 4.550 -0.000 0.000 0.293 95 Y C 2.404 177.870 175.900 -0.725 0.000 1.129 95 Y CA 1.579 59.213 58.100 -0.778 0.000 1.201 95 Y CB -0.194 37.298 38.460 -1.612 0.000 0.999 95 Y HN 0.223 nan 8.280 nan 0.000 0.541 96 D N -0.260 119.968 120.400 -0.288 0.000 2.104 96 D HA -0.205 4.435 4.640 -0.000 0.000 0.194 96 D C 2.231 178.492 176.300 -0.066 0.000 0.994 96 D CA 1.470 55.457 54.000 -0.022 0.000 0.830 96 D CB -0.219 40.637 40.800 0.093 0.000 0.959 96 D HN 0.242 nan 8.370 nan 0.000 0.452 97 A N 0.311 123.072 122.820 -0.099 0.000 1.902 97 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 97 A C 2.287 179.811 177.584 -0.100 0.000 1.181 97 A CA 1.680 53.659 52.037 -0.095 0.000 0.623 97 A CB -0.647 18.297 19.000 -0.094 0.000 0.818 97 A HN 0.251 nan 8.150 nan 0.000 0.443 98 R N -0.508 119.901 120.500 -0.151 0.000 2.062 98 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 98 R C 1.910 178.191 176.300 -0.031 0.000 1.136 98 R CA 1.629 57.658 56.100 -0.117 0.000 0.948 98 R CB -0.234 29.930 30.300 -0.226 0.000 0.845 98 R HN 0.430 nan 8.270 nan 0.000 0.430 99 E N 0.675 120.856 120.200 -0.032 0.000 2.106 99 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 99 E C 1.101 177.721 176.600 0.033 0.000 0.984 99 E CA 1.081 57.516 56.400 0.058 0.000 0.806 99 E CB -0.157 29.622 29.700 0.133 0.000 0.750 99 E HN 0.390 nan 8.360 nan 0.000 0.458 100 D N 0.020 120.373 120.400 -0.077 0.000 2.328 100 D HA -0.017 4.623 4.640 -0.000 0.000 0.226 100 D C -0.429 175.480 176.300 -0.652 0.000 1.066 100 D CA 0.170 53.987 54.000 -0.305 0.000 0.861 100 D CB -0.638 40.044 40.800 -0.197 0.000 0.912 100 D HN 0.364 nan 8.370 nan 0.000 0.521 101 H N -2.031 117.048 119.070 0.014 0.000 2.506 101 H HA -0.143 4.413 4.556 -0.000 0.000 0.323 101 H C -0.626 174.713 175.328 0.019 0.000 1.076 101 H CA 0.273 56.330 56.048 0.016 0.000 1.108 101 H CB -2.599 27.182 29.762 0.032 0.000 1.569 101 H HN 0.005 nan 8.280 nan 0.000 0.399 102 V N -2.353 117.558 119.914 -0.005 0.000 2.680 102 V HA 0.733 4.853 4.120 -0.000 0.000 0.309 102 V C -2.371 173.703 176.094 -0.033 0.000 1.052 102 V CA -2.566 59.733 62.300 -0.001 0.000 0.908 102 V CB 2.590 34.390 31.823 -0.040 0.000 1.001 102 V HN 0.283 nan 8.190 nan 0.000 0.431 103 P HA 0.315 nan 4.420 nan 0.000 0.271 103 P C -0.783 176.387 177.300 -0.216 0.000 1.233 103 P CA 0.123 63.109 63.100 -0.190 0.000 0.764 103 P CB 1.359 32.830 31.700 -0.382 0.000 0.825 104 V N 5.221 125.022 119.914 -0.188 0.000 2.686 104 V HA 0.261 4.381 4.120 -0.000 0.000 0.306 104 V C -0.142 175.854 176.094 -0.164 0.000 1.065 104 V CA -0.852 61.354 62.300 -0.156 0.000 0.894 104 V CB 2.277 34.042 31.823 -0.097 0.000 1.004 104 V HN 0.377 nan 8.190 nan 0.000 0.424 105 L N 4.637 125.762 121.223 -0.164 0.000 2.275 105 L HA 0.884 5.224 4.340 -0.000 0.000 0.288 105 L C 0.199 177.020 176.870 -0.081 0.000 1.046 105 L CA 0.026 54.780 54.840 -0.143 0.000 0.805 105 L CB 1.160 43.111 42.059 -0.179 0.000 1.193 105 L HN 0.796 nan 8.230 nan 0.000 0.426 106 A N 6.735 129.503 122.820 -0.087 0.000 2.291 106 A HA 0.677 4.997 4.320 -0.000 0.000 0.311 106 A C -1.034 176.492 177.584 -0.096 0.000 1.224 106 A CA -0.568 51.426 52.037 -0.071 0.000 0.821 106 A CB 0.423 19.357 19.000 -0.110 0.000 1.172 106 A HN 0.709 nan 8.150 nan 0.000 0.494 107 L N 3.772 124.982 121.223 -0.021 0.000 2.289 107 L HA 0.494 4.834 4.340 -0.000 0.000 0.285 107 L C -0.596 176.251 176.870 -0.039 0.000 1.049 107 L CA -0.606 54.202 54.840 -0.053 0.000 0.804 107 L CB 1.159 43.188 42.059 -0.051 0.000 1.195 107 L HN 0.480 nan 8.230 nan 0.000 0.428 108 I N 2.314 122.811 120.570 -0.123 0.000 2.406 108 I HA 0.332 4.502 4.170 -0.000 0.000 0.290 108 I C 0.800 176.879 176.117 -0.064 0.000 0.999 108 I CA -0.279 60.959 61.300 -0.104 0.000 1.124 108 I CB 1.359 39.216 38.000 -0.238 0.000 1.289 108 I HN 0.592 nan 8.210 nan 0.000 0.441 109 G N 4.499 113.290 108.800 -0.015 0.000 2.554 109 G HA2 0.307 4.267 3.960 -0.000 0.000 0.238 109 G HA3 0.307 4.267 3.960 -0.000 0.000 0.238 109 G C -0.440 174.458 174.900 -0.003 0.000 1.259 109 G CA 0.150 45.234 45.100 -0.028 0.000 0.843 109 G HN 0.612 nan 8.290 nan 0.000 0.582 110 Q N 0.042 119.840 119.800 -0.005 0.000 2.435 110 Q HA 0.490 4.830 4.340 -0.000 0.000 0.282 110 Q C -1.135 174.913 176.000 0.080 0.000 1.020 110 Q CA -0.900 54.934 55.803 0.051 0.000 0.820 110 Q CB 1.321 30.080 28.738 0.035 0.000 1.436 110 Q HN 0.458 nan 8.270 nan 0.000 0.395 111 F N 1.480 121.434 119.950 0.006 0.000 2.589 111 F HA 0.485 5.012 4.527 -0.000 0.000 0.352 111 F C 1.216 177.030 175.800 0.022 0.000 1.168 111 F CA 1.425 59.441 58.000 0.028 0.000 1.353 111 F CB 0.622 39.645 39.000 0.038 0.000 1.116 111 F HN 0.659 nan 8.300 nan 0.000 0.608 112 G N 2.360 111.001 108.800 -0.264 0.000 2.474 112 G HA2 0.099 4.059 3.960 -0.000 0.000 0.233 112 G HA3 0.099 4.059 3.960 -0.000 0.000 0.233 112 G C 0.940 175.937 174.900 0.161 0.000 1.278 112 G CA 0.043 45.101 45.100 -0.070 0.000 0.861 112 G HN 0.977 nan 8.290 nan 0.000 0.567 113 T N -1.476 113.135 114.554 0.097 0.000 2.897 113 T HA -0.238 4.112 4.350 -0.000 0.000 0.271 113 T C 2.299 177.073 174.700 0.123 0.000 1.084 113 T CA 2.155 64.316 62.100 0.101 0.000 1.123 113 T CB -0.626 68.277 68.868 0.058 0.000 0.865 113 T HN 0.739 nan 8.240 nan 0.000 0.496 114 T N -1.476 113.164 114.554 0.143 0.000 2.985 114 T HA 0.217 4.567 4.350 -0.000 0.000 0.266 114 T C 2.132 176.958 174.700 0.211 0.000 1.076 114 T CA 0.839 63.027 62.100 0.146 0.000 1.135 114 T CB -0.635 68.307 68.868 0.124 0.000 0.890 114 T HN 0.488 nan 8.240 nan 0.000 0.480 115 G N 0.303 109.341 108.800 0.396 0.000 2.921 115 G HA2 0.366 4.326 3.960 -0.000 0.000 0.213 115 G HA3 0.366 4.326 3.960 -0.000 0.000 0.213 115 G C 0.460 175.391 174.900 0.051 0.000 1.143 115 G CA -0.599 44.679 45.100 0.297 0.000 0.764 115 G HN 0.420 nan 8.290 nan 0.000 0.542 116 M N 1.523 121.232 119.600 0.182 0.000 2.248 116 M HA 0.096 4.576 4.480 -0.000 0.000 0.345 116 M C 0.440 176.751 176.300 0.018 0.000 1.243 116 M CA 0.277 55.625 55.300 0.080 0.000 1.090 116 M CB 0.295 32.956 32.600 0.103 0.000 1.683 116 M HN 0.159 nan 8.290 nan 0.000 0.450 117 N N 1.148 119.839 118.700 -0.014 0.000 2.800 117 N HA -0.167 4.573 4.740 -0.000 0.000 0.250 117 N C -0.043 175.446 175.510 -0.036 0.000 1.078 117 N CA 0.830 53.867 53.050 -0.020 0.000 0.804 117 N CB -0.732 37.754 38.487 -0.002 0.000 1.135 117 N HN 0.640 nan 8.380 nan 0.000 0.565 118 M N 0.022 119.580 119.600 -0.070 0.000 2.428 118 M HA 0.071 4.551 4.480 -0.000 0.000 0.239 118 M C -0.132 176.113 176.300 -0.092 0.000 1.121 118 M CA 0.387 55.641 55.300 -0.077 0.000 1.019 118 M CB -0.437 32.106 32.600 -0.094 0.000 1.485 118 M HN -0.015 nan 8.290 nan 0.000 0.484 119 D N 1.619 121.957 120.400 -0.103 0.000 2.705 119 D HA -0.139 4.501 4.640 -0.000 0.000 0.240 119 D C 0.451 176.683 176.300 -0.114 0.000 1.137 119 D CA 0.907 54.851 54.000 -0.093 0.000 0.677 119 D CB -1.120 39.647 40.800 -0.056 0.000 1.049 119 D HN 0.303 nan 8.370 nan 0.000 0.427 120 T N -1.106 113.326 114.554 -0.203 0.000 2.852 120 T HA 0.420 4.770 4.350 -0.000 0.000 0.281 120 T C 0.031 174.655 174.700 -0.126 0.000 0.993 120 T CA -0.677 61.292 62.100 -0.219 0.000 0.933 120 T CB 0.575 69.149 68.868 -0.490 0.000 1.187 120 T HN 0.089 nan 8.240 nan 0.000 0.559 121 F N 1.878 121.721 119.950 -0.178 0.000 2.578 121 F HA 0.203 4.730 4.527 0.000 0.000 0.381 121 F C 1.359 177.142 175.800 -0.028 0.000 1.069 121 F CA 0.500 58.462 58.000 -0.063 0.000 1.231 121 F CB -0.176 38.825 39.000 0.002 0.000 1.086 121 F HN 0.876 nan 8.300 nan 0.000 0.564 122 Q N 1.722 121.085 119.800 -0.729 0.000 2.468 122 Q HA -0.291 4.049 4.340 -0.000 0.000 0.256 122 Q C -0.535 175.336 176.000 -0.216 0.000 0.984 122 Q CA 1.246 56.718 55.803 -0.551 0.000 1.110 122 Q CB -0.803 27.515 28.738 -0.699 0.000 1.527 122 Q HN 0.750 nan 8.270 nan 0.000 0.535 123 E N 0.957 121.053 120.200 -0.172 0.000 2.151 123 E HA 0.531 4.881 4.350 -0.000 0.000 0.275 123 E C -0.361 176.187 176.600 -0.086 0.000 0.936 123 E CA -0.305 56.032 56.400 -0.105 0.000 0.777 123 E CB 0.845 30.421 29.700 -0.207 0.000 1.108 123 E HN 0.393 nan 8.360 nan 0.000 0.401 124 M N 2.320 121.895 119.600 -0.042 0.000 2.682 124 M HA 0.396 4.876 4.480 -0.000 0.000 0.272 124 M C -1.075 175.222 176.300 -0.004 0.000 1.232 124 M CA -1.069 54.212 55.300 -0.032 0.000 0.849 124 M CB 1.222 33.800 32.600 -0.037 0.000 1.695 124 M HN 0.159 nan 8.290 nan 0.000 0.481 125 N N 1.748 120.446 118.700 -0.004 0.000 2.416 125 N HA 0.105 4.845 4.740 -0.000 0.000 0.271 125 N C -0.019 175.505 175.510 0.022 0.000 1.245 125 N CA 0.536 53.592 53.050 0.009 0.000 0.940 125 N CB 0.373 38.861 38.487 0.002 0.000 1.175 125 N HN 0.743 nan 8.380 nan 0.000 0.483 126 E N 2.012 122.243 120.200 0.051 0.000 2.385 126 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 126 E C 1.087 177.784 176.600 0.162 0.000 1.013 126 E CA -0.024 56.443 56.400 0.110 0.000 0.866 126 E CB 0.115 29.903 29.700 0.146 0.000 0.832 126 E HN 0.637 nan 8.360 nan 0.000 0.500 127 N N 1.394 120.151 118.700 0.095 0.000 2.120 127 N HA -0.096 4.644 4.740 -0.000 0.000 0.188 127 N C -0.956 174.597 175.510 0.073 0.000 1.024 127 N CA 1.091 54.194 53.050 0.088 0.000 0.852 127 N CB -0.329 38.172 38.487 0.025 0.000 1.003 127 N HN 0.079 nan 8.380 nan 0.000 0.424 128 P HA -0.015 nan 4.420 nan 0.000 0.220 128 P C 1.478 178.748 177.300 -0.051 0.000 1.148 128 P CA 0.741 63.838 63.100 -0.006 0.000 0.803 128 P CB -0.090 31.602 31.700 -0.014 0.000 0.782 129 I N -2.186 118.318 120.570 -0.110 0.000 2.248 129 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 129 I C 1.487 177.295 176.117 -0.516 0.000 1.107 129 I CA 1.794 62.885 61.300 -0.349 0.000 1.373 129 I CB -0.678 36.989 38.000 -0.554 0.000 1.055 129 I HN -0.006 nan 8.210 nan 0.000 0.418 130 Y N -0.178 120.118 120.300 -0.007 0.000 2.467 130 Y HA 0.389 4.939 4.550 -0.000 0.000 0.250 130 Y C 2.238 178.111 175.900 -0.046 0.000 1.155 130 Y CA 0.220 58.302 58.100 -0.030 0.000 1.249 130 Y CB -0.265 38.166 38.460 -0.048 0.000 1.146 130 Y HN -0.010 nan 8.280 nan 0.000 0.524 131 A N 0.306 123.155 122.820 0.048 0.000 1.933 131 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 131 A C 1.812 179.404 177.584 0.013 0.000 1.175 131 A CA 2.314 54.365 52.037 0.024 0.000 0.628 131 A CB -0.591 18.416 19.000 0.012 0.000 0.814 131 A HN 0.453 nan 8.150 nan 0.000 0.444 132 D N -1.117 119.293 120.400 0.017 0.000 2.123 132 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 132 D C 1.696 177.965 176.300 -0.052 0.000 0.976 132 D CA 1.331 55.349 54.000 0.030 0.000 0.831 132 D CB -0.077 40.789 40.800 0.111 0.000 0.974 132 D HN 0.092 nan 8.370 nan 0.000 0.469 133 V N -0.236 119.572 119.914 -0.176 0.000 2.809 133 V HA 0.238 4.358 4.120 -0.000 0.000 0.256 133 V C 0.708 176.652 176.094 -0.249 0.000 1.080 133 V CA 0.982 62.988 62.300 -0.490 0.000 1.102 133 V CB -0.403 30.899 31.823 -0.869 0.000 0.705 133 V HN 0.336 nan 8.190 nan 0.000 0.475 134 A N -0.227 122.532 122.820 -0.102 0.000 2.301 134 A HA 0.371 4.691 4.320 -0.000 0.000 0.312 134 A C 0.795 178.379 177.584 -0.000 0.000 1.182 134 A CA 0.192 52.203 52.037 -0.044 0.000 0.826 134 A CB 0.937 19.934 19.000 -0.004 0.000 1.134 134 A HN 0.449 nan 8.150 nan 0.000 0.501 135 D N 0.337 120.758 120.400 0.034 0.000 2.144 135 D HA -0.090 4.550 4.640 -0.000 0.000 0.200 135 D C -0.148 176.267 176.300 0.192 0.000 0.978 135 D CA 1.634 55.697 54.000 0.105 0.000 0.833 135 D CB 0.022 40.907 40.800 0.143 0.000 0.961 135 D HN 0.495 nan 8.370 nan 0.000 0.470 136 Y N -0.195 120.106 120.300 0.001 0.000 2.421 136 Y HA 0.489 5.039 4.550 -0.000 0.000 0.339 136 Y C -1.663 174.221 175.900 -0.027 0.000 0.996 136 Y CA -1.476 56.620 58.100 -0.006 0.000 1.046 136 Y CB 1.495 39.939 38.460 -0.026 0.000 1.226 136 Y HN -0.163 nan 8.280 nan 0.000 0.445 137 N N 4.811 123.257 118.700 -0.422 0.000 2.664 137 N HA 0.483 5.223 4.740 -0.000 0.000 0.268 137 N C -2.341 172.951 175.510 -0.363 0.000 1.222 137 N CA -0.369 52.506 53.050 -0.291 0.000 0.805 137 N CB 1.070 39.501 38.487 -0.094 0.000 1.399 137 N HN 0.540 nan 8.380 nan 0.000 0.547 138 V N -0.062 119.604 119.914 -0.414 0.000 2.876 138 V HA 0.738 4.858 4.120 -0.000 0.000 0.312 138 V C -0.186 175.804 176.094 -0.173 0.000 1.085 138 V CA -0.630 61.481 62.300 -0.316 0.000 0.945 138 V CB 1.672 33.238 31.823 -0.428 0.000 1.017 138 V HN 0.379 nan 8.190 nan 0.000 0.428 139 T N 3.842 118.333 114.554 -0.104 0.000 2.733 139 T HA 0.703 5.053 4.350 -0.000 0.000 0.294 139 T C 0.398 175.069 174.700 -0.048 0.000 0.956 139 T CA 0.367 62.429 62.100 -0.064 0.000 0.987 139 T CB 1.032 69.882 68.868 -0.030 0.000 0.920 139 T HN 1.395 nan 8.240 nan 0.000 0.470 140 A N 2.592 125.384 122.820 -0.046 0.000 2.425 140 A HA 0.454 4.774 4.320 -0.000 0.000 0.249 140 A C 1.225 178.801 177.584 -0.013 0.000 1.084 140 A CA -0.438 51.584 52.037 -0.026 0.000 0.781 140 A CB 0.090 19.067 19.000 -0.038 0.000 1.019 140 A HN 1.054 nan 8.150 nan 0.000 0.490 141 V N -0.371 119.543 119.914 0.001 0.000 3.382 141 V HA 0.384 4.504 4.120 -0.000 0.000 0.296 141 V C 0.055 176.157 176.094 0.013 0.000 1.529 141 V CA 0.169 62.474 62.300 0.008 0.000 1.048 141 V CB -0.770 31.061 31.823 0.013 0.000 0.878 141 V HN 0.827 nan 8.190 nan 0.000 0.442 142 N N -0.015 118.692 118.700 0.013 0.000 2.324 142 N HA 0.588 5.328 4.740 -0.000 0.000 0.285 142 N C 0.603 176.120 175.510 0.012 0.000 1.076 142 N CA 0.448 53.509 53.050 0.018 0.000 0.864 142 N CB 2.583 41.086 38.487 0.028 0.000 1.632 142 N HN 0.105 nan 8.380 nan 0.000 0.478 143 A N 2.777 125.603 122.820 0.010 0.000 1.898 143 A HA 0.137 4.456 4.320 -0.000 0.000 0.214 143 A C 1.989 179.580 177.584 0.012 0.000 1.183 143 A CA 1.653 53.690 52.037 -0.002 0.000 0.622 143 A CB -0.663 18.337 19.000 0.001 0.000 0.824 143 A HN 0.745 nan 8.150 nan 0.000 0.444 144 A N -0.049 122.792 122.820 0.034 0.000 1.933 144 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 144 A C 2.297 179.929 177.584 0.080 0.000 1.175 144 A CA 2.374 54.448 52.037 0.061 0.000 0.628 144 A CB -1.164 17.873 19.000 0.063 0.000 0.814 144 A HN 0.760 nan 8.150 nan 0.000 0.444 145 T N -2.934 111.661 114.554 0.068 0.000 3.100 145 T HA 0.115 4.465 4.350 -0.000 0.000 0.253 145 T C 1.552 176.314 174.700 0.103 0.000 1.118 145 T CA 0.753 62.912 62.100 0.098 0.000 1.058 145 T CB -0.178 68.741 68.868 0.085 0.000 0.953 145 T HN 0.141 nan 8.240 nan 0.000 0.515 146 L N 2.582 123.831 121.223 0.043 0.000 2.012 146 L HA 0.137 4.477 4.340 -0.000 0.000 0.210 146 L C -0.910 175.950 176.870 -0.017 0.000 1.073 146 L CA 1.780 56.618 54.840 -0.002 0.000 0.748 146 L CB -1.281 40.746 42.059 -0.054 0.000 0.891 146 L HN 0.114 nan 8.230 nan 0.000 0.431 147 P HA -0.210 nan 4.420 nan 0.000 0.216 147 P C 1.537 178.848 177.300 0.018 0.000 1.150 147 P CA 1.646 64.726 63.100 -0.033 0.000 0.837 147 P CB -0.331 31.367 31.700 -0.003 0.000 0.786 148 H N -0.189 118.879 119.070 -0.003 0.000 2.321 148 H HA -0.077 4.479 4.556 -0.000 0.000 0.300 148 H C 1.677 176.995 175.328 -0.017 0.000 1.087 148 H CA 1.409 57.438 56.048 -0.032 0.000 1.319 148 H CB -0.407 29.356 29.762 0.001 0.000 1.379 148 H HN -0.122 nan 8.280 nan 0.000 0.501 149 V N 1.712 121.608 119.914 -0.031 0.000 2.332 149 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 149 V C 2.826 178.873 176.094 -0.078 0.000 1.055 149 V CA 1.369 63.662 62.300 -0.013 0.000 1.038 149 V CB -0.480 31.393 31.823 0.084 0.000 0.651 149 V HN 0.377 nan 8.190 nan 0.000 0.450 150 I N 0.370 120.878 120.570 -0.102 0.000 2.202 150 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 150 I C 2.366 178.353 176.117 -0.216 0.000 1.091 150 I CA 2.074 63.291 61.300 -0.138 0.000 1.368 150 I CB -1.315 36.608 38.000 -0.129 0.000 1.058 150 I HN 0.415 nan 8.210 nan 0.000 0.410 151 D N 0.785 121.069 120.400 -0.194 0.000 2.123 151 D HA -0.274 4.366 4.640 -0.000 0.000 0.196 151 D C 2.106 178.221 176.300 -0.308 0.000 0.992 151 D CA 1.473 55.375 54.000 -0.164 0.000 0.833 151 D CB 0.146 40.909 40.800 -0.061 0.000 0.954 151 D HN 0.221 nan 8.370 nan 0.000 0.455 152 E N -0.056 119.876 120.200 -0.446 0.000 2.085 152 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 152 E C 1.861 178.115 176.600 -0.577 0.000 0.994 152 E CA 1.497 57.592 56.400 -0.509 0.000 0.801 152 E CB -0.565 28.788 29.700 -0.578 0.000 0.743 152 E HN 0.319 nan 8.360 nan 0.000 0.453 153 A N 0.474 123.026 122.820 -0.447 0.000 1.883 153 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 153 A C 2.372 179.724 177.584 -0.386 0.000 1.186 153 A CA 1.713 53.557 52.037 -0.323 0.000 0.624 153 A CB -0.748 18.221 19.000 -0.052 0.000 0.822 153 A HN 0.367 nan 8.150 nan 0.000 0.444 154 I N -1.295 118.976 120.570 -0.499 0.000 2.252 154 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 154 I C 2.711 178.442 176.117 -0.644 0.000 1.102 154 I CA 1.655 62.533 61.300 -0.702 0.000 1.385 154 I CB -0.308 37.020 38.000 -1.120 0.000 1.064 154 I HN 0.366 nan 8.210 nan 0.000 0.414 155 R N 1.138 121.305 120.500 -0.555 0.000 2.081 155 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 155 R C 2.474 178.651 176.300 -0.204 0.000 1.131 155 R CA 1.448 57.415 56.100 -0.222 0.000 0.960 155 R CB -0.076 30.201 30.300 -0.038 0.000 0.856 155 R HN 0.243 nan 8.270 nan 0.000 0.436 156 R N -0.268 120.015 120.500 -0.362 0.000 2.075 156 R HA -0.026 4.314 4.340 -0.000 0.000 0.232 156 R C 2.369 178.453 176.300 -0.361 0.000 1.126 156 R CA 1.181 56.990 56.100 -0.485 0.000 0.963 156 R CB -0.337 29.673 30.300 -0.482 0.000 0.858 156 R HN 0.268 nan 8.270 nan 0.000 0.435 157 A N 0.703 123.363 122.820 -0.267 0.000 1.883 157 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 157 A C 1.842 179.341 177.584 -0.141 0.000 1.186 157 A CA 1.297 53.214 52.037 -0.201 0.000 0.624 157 A CB -0.757 18.069 19.000 -0.289 0.000 0.822 157 A HN 0.262 nan 8.150 nan 0.000 0.444 158 Y N -0.141 120.074 120.300 -0.141 0.000 2.070 158 Y HA -0.172 4.378 4.550 -0.000 0.000 0.280 158 Y C 3.022 178.933 175.900 0.019 0.000 1.148 158 Y CA 1.055 59.147 58.100 -0.012 0.000 1.125 158 Y CB -0.922 37.598 38.460 0.099 0.000 0.975 158 Y HN 0.325 nan 8.280 nan 0.000 0.492 159 A N -0.928 121.955 122.820 0.106 0.000 1.933 159 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 159 A C 1.594 179.257 177.584 0.132 0.000 1.175 159 A CA 1.990 54.047 52.037 0.032 0.000 0.628 159 A CB -1.011 17.900 19.000 -0.149 0.000 0.814 159 A HN 0.720 nan 8.150 nan 0.000 0.444 160 H N -1.465 117.641 119.070 0.060 0.000 2.551 160 H HA 0.145 4.701 4.556 0.000 0.000 0.271 160 H C -0.312 175.044 175.328 0.047 0.000 0.984 160 H CA -0.179 55.892 56.048 0.040 0.000 1.164 160 H CB 0.339 30.113 29.762 0.021 0.000 1.437 160 H HN 0.322 nan 8.280 nan 0.000 0.550 161 Q N 0.576 120.470 119.800 0.157 0.000 2.454 161 Q HA -0.139 4.201 4.340 -0.000 0.000 0.341 161 Q C 0.211 176.273 176.000 0.102 0.000 1.437 161 Q CA 1.019 56.903 55.803 0.135 0.000 0.935 161 Q CB -1.525 27.315 28.738 0.170 0.000 1.164 161 Q HN 0.830 nan 8.270 nan 0.000 0.373 162 G N -2.079 106.744 108.800 0.039 0.000 2.570 162 G HA2 0.541 4.501 3.960 -0.000 0.000 0.310 162 G HA3 0.541 4.501 3.960 -0.000 0.000 0.310 162 G C -1.136 173.737 174.900 -0.045 0.000 1.266 162 G CA -0.272 44.834 45.100 0.010 0.000 0.825 162 G HN 0.114 nan 8.290 nan 0.000 0.483 163 V N 0.840 120.721 119.914 -0.055 0.000 2.465 163 V HA 0.653 4.773 4.120 -0.000 0.000 0.279 163 V C 0.551 176.622 176.094 -0.038 0.000 1.045 163 V CA -0.087 62.167 62.300 -0.077 0.000 0.938 163 V CB 0.915 32.671 31.823 -0.111 0.000 0.986 163 V HN 1.220 nan 8.190 nan 0.000 0.467 164 A N 5.043 127.833 122.820 -0.050 0.000 2.303 164 A HA 0.825 5.145 4.320 -0.000 0.000 0.320 164 A C -0.796 176.762 177.584 -0.043 0.000 1.192 164 A CA -0.497 51.549 52.037 0.015 0.000 0.821 164 A CB 1.337 20.340 19.000 0.005 0.000 1.188 164 A HN 0.652 nan 8.150 nan 0.000 0.492 165 V N 3.100 122.977 119.914 -0.063 0.000 2.487 165 V HA 0.514 4.634 4.120 -0.000 0.000 0.298 165 V C -0.528 175.459 176.094 -0.179 0.000 1.028 165 V CA -0.511 61.686 62.300 -0.171 0.000 0.860 165 V CB 1.639 33.310 31.823 -0.252 0.000 0.991 165 V HN 0.644 nan 8.190 nan 0.000 0.427 166 V N 4.672 124.480 119.914 -0.177 0.000 2.444 166 V HA 0.433 4.553 4.120 -0.000 0.000 0.294 166 V C -0.481 175.511 176.094 -0.169 0.000 1.022 166 V CA -0.751 61.456 62.300 -0.154 0.000 0.850 166 V CB 1.785 33.550 31.823 -0.096 0.000 0.992 166 V HN 0.947 nan 8.190 nan 0.000 0.426 167 Q N 4.528 124.237 119.800 -0.151 0.000 2.274 167 Q HA 0.637 4.977 4.340 -0.000 0.000 0.256 167 Q C -0.739 175.207 176.000 -0.090 0.000 0.927 167 Q CA 0.165 55.898 55.803 -0.117 0.000 0.939 167 Q CB 1.758 30.453 28.738 -0.071 0.000 1.201 167 Q HN 0.683 nan 8.270 nan 0.000 0.426 168 I N 4.509 125.023 120.570 -0.093 0.000 2.420 168 I HA 0.330 4.500 4.170 -0.000 0.000 0.282 168 I C -2.328 173.735 176.117 -0.090 0.000 1.019 168 I CA -2.569 58.670 61.300 -0.102 0.000 1.130 168 I CB 1.596 39.508 38.000 -0.147 0.000 1.262 168 I HN 0.329 nan 8.210 nan 0.000 0.454 169 P HA -0.043 nan 4.420 nan 0.000 0.264 169 P C 0.894 178.135 177.300 -0.098 0.000 1.193 169 P CA 0.126 63.200 63.100 -0.043 0.000 0.763 169 P CB 1.158 32.855 31.700 -0.005 0.000 0.810 170 V N 3.246 123.084 119.914 -0.127 0.000 2.759 170 V HA -0.192 3.928 4.120 -0.000 0.000 0.256 170 V C 1.537 177.531 176.094 -0.167 0.000 1.080 170 V CA 2.286 64.461 62.300 -0.209 0.000 1.101 170 V CB -0.910 30.788 31.823 -0.209 0.000 0.698 170 V HN 0.614 nan 8.190 nan 0.000 0.477 171 D N -0.390 119.979 120.400 -0.051 0.000 2.178 171 D HA -0.199 4.441 4.640 -0.000 0.000 0.202 171 D C 1.997 178.317 176.300 0.034 0.000 0.974 171 D CA 1.287 55.322 54.000 0.058 0.000 0.841 171 D CB -0.494 40.333 40.800 0.044 0.000 0.953 171 D HN 0.495 nan 8.370 nan 0.000 0.478 172 L N 0.334 121.531 121.223 -0.043 0.000 2.056 172 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 172 L C -0.356 176.466 176.870 -0.080 0.000 1.078 172 L CA 1.136 55.949 54.840 -0.046 0.000 0.749 172 L CB -1.693 40.330 42.059 -0.059 0.000 0.901 172 L HN 0.074 nan 8.230 nan 0.000 0.433 173 P HA -0.149 nan 4.420 nan 0.000 0.230 173 P C 0.958 178.150 177.300 -0.179 0.000 1.158 173 P CA 1.029 63.980 63.100 -0.249 0.000 0.769 173 P CB -0.033 31.418 31.700 -0.415 0.000 0.807 174 W N -0.069 121.178 121.300 -0.087 0.000 3.290 174 W HA 0.225 4.885 4.660 0.000 0.000 0.287 174 W C 0.330 176.814 176.519 -0.058 0.000 1.288 174 W CA 0.119 57.419 57.345 -0.075 0.000 1.725 174 W CB -0.470 28.945 29.460 -0.075 0.000 1.103 174 W HN 0.113 nan 8.180 nan 0.000 0.670 175 Q N 1.232 121.111 119.800 0.133 0.000 2.261 175 Q HA 0.126 4.466 4.340 -0.000 0.000 0.252 175 Q C 0.402 176.431 176.000 0.048 0.000 0.915 175 Q CA -0.260 55.588 55.803 0.075 0.000 0.915 175 Q CB 1.146 29.913 28.738 0.048 0.000 1.204 175 Q HN -0.171 nan 8.270 nan 0.000 0.421 176 Q N 2.603 122.430 119.800 0.044 0.000 2.337 176 Q HA 0.262 4.602 4.340 -0.000 0.000 0.270 176 Q C -0.069 175.954 176.000 0.038 0.000 1.002 176 Q CA 0.326 56.151 55.803 0.038 0.000 0.888 176 Q CB 0.494 29.254 28.738 0.036 0.000 1.222 176 Q HN 0.599 nan 8.270 nan 0.000 0.400 177 I N -1.397 119.200 120.570 0.045 0.000 2.892 177 I HA 0.623 4.793 4.170 -0.000 0.000 0.306 177 I C -2.675 173.500 176.117 0.097 0.000 1.078 177 I CA -3.267 58.072 61.300 0.066 0.000 1.032 177 I CB 2.348 40.388 38.000 0.065 0.000 1.229 177 I HN 0.196 nan 8.210 nan 0.000 0.435 178 P HA 0.104 nan 4.420 nan 0.000 0.267 178 P C 0.317 177.727 177.300 0.183 0.000 1.205 178 P CA 0.016 63.185 63.100 0.114 0.000 0.765 178 P CB 1.152 32.906 31.700 0.091 0.000 0.828 179 A N 4.183 127.102 122.820 0.165 0.000 2.121 179 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 179 A C 1.521 179.208 177.584 0.171 0.000 1.154 179 A CA 1.274 53.450 52.037 0.231 0.000 0.679 179 A CB -0.644 18.450 19.000 0.157 0.000 0.795 179 A HN 0.618 nan 8.150 nan 0.000 0.458 180 E N -0.719 119.528 120.200 0.078 0.000 2.498 180 E HA 0.020 4.370 4.350 -0.000 0.000 0.203 180 E C -0.190 176.377 176.600 -0.055 0.000 1.013 180 E CA 0.356 56.738 56.400 -0.030 0.000 0.927 180 E CB -0.128 29.559 29.700 -0.021 0.000 1.012 180 E HN 0.409 nan 8.360 nan 0.000 0.482 181 D N 0.741 121.166 120.400 0.040 0.000 2.259 181 D HA 0.002 4.642 4.640 -0.000 0.000 0.216 181 D C 0.847 177.228 176.300 0.134 0.000 0.961 181 D CA 0.239 54.286 54.000 0.079 0.000 0.878 181 D CB -0.351 40.525 40.800 0.127 0.000 1.009 181 D HN 0.359 nan 8.370 nan 0.000 0.490 182 W N 2.283 123.658 121.300 0.126 0.000 2.150 182 W HA 0.346 5.006 4.660 -0.000 0.000 0.341 182 W C -0.600 176.055 176.519 0.227 0.000 1.276 182 W CA -0.606 56.823 57.345 0.141 0.000 1.238 182 W CB -0.325 29.174 29.460 0.066 0.000 1.128 182 W HN -0.041 nan 8.180 nan 0.000 0.581 183 Y N 0.086 120.472 120.300 0.145 0.000 2.670 183 Y HA 0.763 5.313 4.550 -0.000 0.000 0.334 183 Y C -1.470 174.606 175.900 0.293 0.000 1.185 183 Y CA -1.977 56.082 58.100 -0.068 0.000 1.053 183 Y CB 0.459 38.840 38.460 -0.132 0.000 1.298 183 Y HN 0.728 nan 8.280 nan 0.000 0.459 184 A N 0.683 123.615 122.820 0.186 0.000 2.325 184 A HA 0.565 4.885 4.320 -0.000 0.000 0.333 184 A C 0.291 177.958 177.584 0.140 0.000 1.155 184 A CA -0.304 51.820 52.037 0.145 0.000 0.814 184 A CB 0.707 19.814 19.000 0.179 0.000 1.206 184 A HN 1.265 nan 8.150 nan 0.000 0.482 185 S N 1.148 116.937 115.700 0.148 0.000 2.614 185 S HA 0.290 4.760 4.470 -0.000 0.000 0.230 185 S C 1.423 175.842 174.600 -0.301 0.000 0.952 185 S CA 0.513 58.799 58.200 0.144 0.000 0.949 185 S CB -0.095 63.294 63.200 0.315 0.000 0.786 185 S HN 1.285 nan 8.310 nan 0.000 0.478 186 A N 4.310 126.518 122.820 -1.019 0.000 1.927 186 A HA -0.278 4.042 4.320 -0.000 0.000 0.220 186 A C 2.268 179.438 177.584 -0.689 0.000 1.185 186 A CA 1.971 52.969 52.037 -1.731 0.000 0.639 186 A CB -1.066 16.973 19.000 -1.602 0.000 0.820 186 A HN 0.833 nan 8.150 nan 0.000 0.451 187 N N 0.013 118.489 118.700 -0.373 0.000 2.272 187 N HA -0.112 4.628 4.740 -0.000 0.000 0.185 187 N C 1.263 176.701 175.510 -0.119 0.000 1.014 187 N CA 1.874 54.810 53.050 -0.190 0.000 0.870 187 N CB -0.624 37.790 38.487 -0.122 0.000 0.975 187 N HN 0.356 nan 8.380 nan 0.000 0.433 188 S N -0.689 114.953 115.700 -0.097 0.000 2.548 188 S HA 0.009 4.479 4.470 -0.000 0.000 0.215 188 S C 0.159 174.756 174.600 -0.004 0.000 0.976 188 S CA -0.657 57.526 58.200 -0.029 0.000 0.908 188 S CB -0.450 62.764 63.200 0.023 0.000 0.781 188 S HN 0.490 nan 8.310 nan 0.000 0.519 189 Y N 4.012 124.220 120.300 -0.154 0.000 2.904 189 Y HA 0.041 4.591 4.550 -0.000 0.000 0.336 189 Y C 0.214 176.068 175.900 -0.077 0.000 1.263 189 Y CA 0.455 58.503 58.100 -0.087 0.000 1.547 189 Y CB 0.270 38.629 38.460 -0.168 0.000 1.272 189 Y HN 0.103 nan 8.280 nan 0.000 0.596 190 Q N 3.626 122.915 119.800 -0.851 0.000 2.416 190 Q HA 0.276 4.616 4.340 -0.000 0.000 0.281 190 Q C -0.653 174.797 176.000 -0.917 0.000 1.067 190 Q CA -0.742 54.600 55.803 -0.769 0.000 0.809 190 Q CB 1.841 30.387 28.738 -0.321 0.000 1.418 190 Q HN 0.802 nan 8.270 nan 0.000 0.411 191 T N -1.487 112.721 114.554 -0.577 0.000 2.904 191 T HA 0.559 4.909 4.350 -0.000 0.000 0.290 191 T C -2.065 172.537 174.700 -0.163 0.000 1.018 191 T CA -1.275 60.649 62.100 -0.293 0.000 1.075 191 T CB 0.065 68.870 68.868 -0.106 0.000 0.986 191 T HN 0.184 nan 8.240 nan 0.000 0.523 192 P HA 0.158 nan 4.420 nan 0.000 0.267 192 P C -0.190 177.087 177.300 -0.039 0.000 1.201 192 P CA -0.374 62.700 63.100 -0.043 0.000 0.775 192 P CB 0.252 31.952 31.700 -0.000 0.000 0.854 193 L N 1.914 123.118 121.223 -0.032 0.000 2.485 193 L HA 0.067 4.407 4.340 -0.000 0.000 0.275 193 L C 0.493 177.354 176.870 -0.014 0.000 1.207 193 L CA -0.053 54.771 54.840 -0.026 0.000 0.855 193 L CB -0.237 41.809 42.059 -0.022 0.000 1.114 193 L HN 0.221 nan 8.230 nan 0.000 0.485 194 L N 5.561 126.776 121.223 -0.013 0.000 2.268 194 L HA 0.311 4.651 4.340 -0.000 0.000 0.289 194 L C -1.831 175.035 176.870 -0.007 0.000 1.064 194 L CA -1.940 52.896 54.840 -0.008 0.000 0.824 194 L CB 0.580 42.635 42.059 -0.007 0.000 1.202 194 L HN 0.394 nan 8.230 nan 0.000 0.433 195 P HA 0.077 nan 4.420 nan 0.000 0.269 195 P C -0.668 176.629 177.300 -0.004 0.000 1.209 195 P CA -0.229 62.870 63.100 -0.003 0.000 0.776 195 P CB 0.783 32.483 31.700 0.000 0.000 0.876 196 E N 2.898 123.095 120.200 -0.004 0.000 2.277 196 E HA 0.290 4.640 4.350 -0.000 0.000 0.274 196 E C -2.024 174.574 176.600 -0.004 0.000 1.022 196 E CA -1.842 54.555 56.400 -0.006 0.000 0.853 196 E CB 0.161 29.857 29.700 -0.007 0.000 1.086 196 E HN 0.407 nan 8.360 nan 0.000 0.397 197 P HA 0.082 nan 4.420 nan 0.000 0.281 197 P C -0.466 176.831 177.300 -0.006 0.000 1.252 197 P CA -0.305 62.792 63.100 -0.005 0.000 0.778 197 P CB 0.560 32.255 31.700 -0.007 0.000 0.895 198 D N 1.968 122.366 120.400 -0.004 0.000 2.450 198 D HA -0.029 4.611 4.640 -0.000 0.000 0.247 198 D C 1.493 177.789 176.300 -0.007 0.000 1.162 198 D CA -0.233 53.764 54.000 -0.005 0.000 0.879 198 D CB 0.875 41.673 40.800 -0.003 0.000 1.163 198 D HN 0.145 nan 8.370 nan 0.000 0.472 199 V N 2.195 122.104 119.914 -0.008 0.000 2.295 199 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 199 V C 1.804 177.891 176.094 -0.012 0.000 1.049 199 V CA 1.567 63.861 62.300 -0.010 0.000 1.024 199 V CB -1.112 30.705 31.823 -0.010 0.000 0.648 199 V HN 0.572 nan 8.190 nan 0.000 0.447 200 Q N 1.534 121.328 119.800 -0.011 0.000 2.124 200 Q HA 0.058 4.398 4.340 -0.000 0.000 0.202 200 Q C 2.439 178.431 176.000 -0.015 0.000 0.977 200 Q CA 2.132 57.927 55.803 -0.013 0.000 0.850 200 Q CB -0.797 27.934 28.738 -0.011 0.000 0.901 200 Q HN 0.760 nan 8.270 nan 0.000 0.429 201 A N 0.261 123.074 122.820 -0.012 0.000 1.902 201 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 201 A C 2.339 179.913 177.584 -0.016 0.000 1.181 201 A CA 1.472 53.502 52.037 -0.012 0.000 0.623 201 A CB -0.793 18.203 19.000 -0.006 0.000 0.818 201 A HN 0.229 nan 8.150 nan 0.000 0.443 202 V N -0.188 119.717 119.914 -0.015 0.000 2.407 202 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 202 V C 2.718 178.799 176.094 -0.021 0.000 1.055 202 V CA 2.405 64.695 62.300 -0.016 0.000 1.049 202 V CB -1.202 30.613 31.823 -0.014 0.000 0.662 202 V HN 0.615 nan 8.190 nan 0.000 0.455 203 T N -0.334 114.207 114.554 -0.021 0.000 2.737 203 T HA -0.168 4.182 4.350 -0.000 0.000 0.265 203 T C 2.080 176.761 174.700 -0.031 0.000 1.038 203 T CA 1.405 63.491 62.100 -0.023 0.000 1.144 203 T CB -0.217 68.639 68.868 -0.021 0.000 0.866 203 T HN 0.421 nan 8.240 nan 0.000 0.434 204 R N 0.502 120.982 120.500 -0.033 0.000 2.081 204 R HA 0.025 4.365 4.340 -0.000 0.000 0.235 204 R C 2.536 178.802 176.300 -0.057 0.000 1.131 204 R CA 1.094 57.166 56.100 -0.047 0.000 0.960 204 R CB -0.667 29.607 30.300 -0.045 0.000 0.856 204 R HN 0.336 nan 8.270 nan 0.000 0.436 205 L N 0.719 121.915 121.223 -0.044 0.000 1.989 205 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 205 L C 1.929 178.775 176.870 -0.040 0.000 1.071 205 L CA 1.831 56.645 54.840 -0.043 0.000 0.749 205 L CB -0.511 41.531 42.059 -0.028 0.000 0.890 205 L HN 0.176 nan 8.230 nan 0.000 0.431 206 T N -0.417 114.118 114.554 -0.032 0.000 2.699 206 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 206 T C 1.882 176.562 174.700 -0.032 0.000 1.036 206 T CA 1.481 63.565 62.100 -0.027 0.000 1.147 206 T CB -0.214 68.640 68.868 -0.023 0.000 0.862 206 T HN 0.383 nan 8.240 nan 0.000 0.446 207 Q N 0.584 120.359 119.800 -0.042 0.000 2.123 207 Q HA -0.009 4.331 4.340 -0.000 0.000 0.199 207 Q C 2.654 178.618 176.000 -0.059 0.000 0.966 207 Q CA 1.249 57.025 55.803 -0.045 0.000 0.845 207 Q CB -0.997 27.713 28.738 -0.046 0.000 0.907 207 Q HN 0.525 nan 8.270 nan 0.000 0.439 208 T N 1.776 116.278 114.554 -0.087 0.000 2.746 208 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 208 T C 1.851 176.523 174.700 -0.047 0.000 1.039 208 T CA 0.952 62.979 62.100 -0.121 0.000 1.142 208 T CB -0.259 68.488 68.868 -0.202 0.000 0.866 208 T HN 0.100 nan 8.240 nan 0.000 0.444 209 L N 0.879 122.086 121.223 -0.028 0.000 2.056 209 L HA 0.096 4.436 4.340 -0.000 0.000 0.207 209 L C 2.115 178.988 176.870 0.003 0.000 1.078 209 L CA 1.540 56.381 54.840 0.001 0.000 0.749 209 L CB -0.636 41.426 42.059 0.005 0.000 0.901 209 L HN 0.244 nan 8.230 nan 0.000 0.433 210 L N -0.811 120.407 121.223 -0.009 0.000 2.141 210 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 210 L C 2.499 179.366 176.870 -0.006 0.000 1.094 210 L CA 0.927 55.761 54.840 -0.009 0.000 0.763 210 L CB -0.813 41.236 42.059 -0.016 0.000 0.908 210 L HN 0.344 nan 8.230 nan 0.000 0.437 211 A N 0.267 123.083 122.820 -0.007 0.000 2.119 211 A HA 0.193 4.512 4.320 -0.000 0.000 0.217 211 A C 1.417 179.011 177.584 0.015 0.000 1.153 211 A CA 0.604 52.643 52.037 0.003 0.000 0.692 211 A CB -0.482 18.517 19.000 -0.001 0.000 0.799 211 A HN 0.296 nan 8.150 nan 0.000 0.458 212 A N 0.399 123.228 122.820 0.014 0.000 2.540 212 A HA 0.301 4.621 4.320 -0.000 0.000 0.239 212 A C 1.027 178.574 177.584 -0.062 0.000 1.061 212 A CA 0.071 52.103 52.037 -0.010 0.000 0.758 212 A CB 0.263 19.253 19.000 -0.017 0.000 0.991 212 A HN 0.440 nan 8.150 nan 0.000 0.502 213 E N 1.806 121.938 120.200 -0.114 0.000 2.122 213 E HA -0.052 4.298 4.350 -0.000 0.000 0.190 213 E C 0.284 176.660 176.600 -0.374 0.000 0.977 213 E CA 0.866 57.174 56.400 -0.153 0.000 0.820 213 E CB 0.132 29.756 29.700 -0.127 0.000 0.770 213 E HN 0.711 nan 8.360 nan 0.000 0.462 214 R N 1.211 121.340 120.500 -0.619 0.000 2.738 214 R HA 0.237 4.577 4.340 -0.000 0.000 0.280 214 R C -2.520 173.258 176.300 -0.870 0.000 1.456 214 R CA -1.378 53.809 56.100 -1.522 0.000 1.612 214 R CB 1.306 30.567 30.300 -1.732 0.000 1.286 214 R HN 0.045 nan 8.270 nan 0.000 0.660 215 P HA 0.128 nan 4.420 nan 0.000 0.271 215 P C -0.522 176.972 177.300 0.323 0.000 1.218 215 P CA 0.047 63.177 63.100 0.049 0.000 0.780 215 P CB 1.377 33.139 31.700 0.105 0.000 0.901 216 L N 2.564 123.939 121.223 0.254 0.000 2.409 216 L HA 0.527 4.867 4.340 -0.000 0.000 0.262 216 L C 0.069 177.083 176.870 0.241 0.000 0.992 216 L CA -0.995 54.020 54.840 0.291 0.000 0.817 216 L CB 2.198 44.416 42.059 0.265 0.000 1.350 216 L HN 0.239 nan 8.230 nan 0.000 0.411 217 I N 2.500 123.230 120.570 0.267 0.000 2.339 217 I HA 0.272 4.442 4.170 -0.000 0.000 0.290 217 I C -1.305 175.045 176.117 0.388 0.000 0.994 217 I CA -0.543 60.930 61.300 0.289 0.000 1.191 217 I CB 1.346 39.508 38.000 0.270 0.000 1.343 217 I HN 0.394 nan 8.210 nan 0.000 0.458 218 Y N 9.377 129.790 120.300 0.189 0.000 2.526 218 Y HA 0.405 4.955 4.550 -0.000 0.000 0.328 218 Y C -1.248 174.674 175.900 0.036 0.000 0.995 218 Y CA -1.808 56.355 58.100 0.106 0.000 1.304 218 Y CB 0.511 39.096 38.460 0.208 0.000 1.096 218 Y HN 0.472 nan 8.280 nan 0.000 0.499 219 Y N 2.742 123.162 120.300 0.200 0.000 2.528 219 Y HA 0.982 5.532 4.550 -0.000 0.000 0.335 219 Y C 0.131 176.006 175.900 -0.042 0.000 1.093 219 Y CA -1.157 56.934 58.100 -0.015 0.000 1.134 219 Y CB 1.290 39.778 38.460 0.047 0.000 1.253 219 Y HN 0.562 nan 8.280 nan 0.000 0.478 220 G N 0.854 109.659 108.800 0.009 0.000 3.075 220 G HA2 0.382 4.342 3.960 -0.000 0.000 0.253 220 G HA3 0.382 4.342 3.960 -0.000 0.000 0.253 220 G C 0.259 175.237 174.900 0.129 0.000 1.353 220 G CA -0.738 44.371 45.100 0.014 0.000 1.051 220 G HN 1.119 nan 8.290 nan 0.000 0.553 221 I N -1.545 119.079 120.570 0.090 0.000 3.176 221 I HA 0.147 4.317 4.170 -0.000 0.000 0.275 221 I C 1.945 178.107 176.117 0.076 0.000 1.298 221 I CA 0.991 62.346 61.300 0.091 0.000 1.445 221 I CB -0.165 37.872 38.000 0.062 0.000 1.075 221 I HN 0.396 nan 8.210 nan 0.000 0.482 222 G N 1.265 110.098 108.800 0.055 0.000 2.498 222 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.219 222 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.219 222 G C 1.360 176.276 174.900 0.027 0.000 1.119 222 G CA 0.536 45.655 45.100 0.032 0.000 0.766 222 G HN 0.609 nan 8.290 nan 0.000 0.552 223 A N -0.120 122.727 122.820 0.045 0.000 2.507 223 A HA 0.403 4.723 4.320 -0.000 0.000 0.270 223 A C 1.933 179.513 177.584 -0.006 0.000 1.318 223 A CA -0.317 51.726 52.037 0.010 0.000 0.924 223 A CB -0.120 18.882 19.000 0.003 0.000 1.061 223 A HN 0.228 nan 8.150 nan 0.000 0.516 224 R N 0.214 120.731 120.500 0.027 0.000 2.200 224 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 224 R C 0.922 177.220 176.300 -0.002 0.000 1.127 224 R CA 1.175 57.288 56.100 0.023 0.000 0.989 224 R CB -0.018 30.306 30.300 0.039 0.000 0.869 224 R HN 0.422 nan 8.270 nan 0.000 0.459 225 K N -0.835 119.559 120.400 -0.009 0.000 2.374 225 K HA 0.142 4.462 4.320 -0.000 0.000 0.196 225 K C 0.648 177.224 176.600 -0.041 0.000 1.023 225 K CA 0.147 56.424 56.287 -0.016 0.000 1.103 225 K CB 1.037 33.535 32.500 -0.003 0.000 0.848 225 K HN 0.012 nan 8.250 nan 0.000 0.528 226 A N 0.092 122.870 122.820 -0.070 0.000 2.631 226 A HA 0.275 4.595 4.320 -0.000 0.000 0.294 226 A C 1.489 178.981 177.584 -0.155 0.000 1.156 226 A CA -0.101 51.877 52.037 -0.098 0.000 0.963 226 A CB 0.057 19.002 19.000 -0.093 0.000 1.202 226 A HN 0.281 nan 8.150 nan 0.000 0.523 227 G N 0.735 109.445 108.800 -0.150 0.000 2.469 227 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.219 227 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.219 227 G C 1.634 176.431 174.900 -0.172 0.000 1.150 227 G CA 1.268 46.258 45.100 -0.184 0.000 0.763 227 G HN 0.448 nan 8.290 nan 0.000 0.561 228 K N 0.222 120.547 120.400 -0.124 0.000 2.026 228 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 228 K C 2.592 179.121 176.600 -0.118 0.000 1.048 228 K CA 1.598 57.818 56.287 -0.111 0.000 0.929 228 K CB -0.105 32.349 32.500 -0.076 0.000 0.713 228 K HN 0.258 nan 8.250 nan 0.000 0.439 229 E N 0.891 121.026 120.200 -0.107 0.000 2.077 229 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 229 E C 2.030 178.563 176.600 -0.111 0.000 0.989 229 E CA 0.940 57.283 56.400 -0.094 0.000 0.800 229 E CB -0.162 29.491 29.700 -0.077 0.000 0.746 229 E HN 0.215 nan 8.360 nan 0.000 0.452 230 L N 0.520 121.646 121.223 -0.163 0.000 2.012 230 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 230 L C 2.596 179.382 176.870 -0.141 0.000 1.073 230 L CA 1.607 56.338 54.840 -0.182 0.000 0.748 230 L CB -0.349 41.469 42.059 -0.401 0.000 0.891 230 L HN 0.167 nan 8.230 nan 0.000 0.431 231 E N -0.466 119.604 120.200 -0.218 0.000 2.106 231 E HA -0.271 4.079 4.350 -0.000 0.000 0.192 231 E C 2.208 178.668 176.600 -0.234 0.000 0.984 231 E CA 0.925 57.118 56.400 -0.345 0.000 0.806 231 E CB 0.151 29.572 29.700 -0.464 0.000 0.750 231 E HN 0.272 nan 8.360 nan 0.000 0.458 232 Q N 0.149 119.861 119.800 -0.146 0.000 2.123 232 Q HA -0.094 4.246 4.340 -0.000 0.000 0.199 232 Q C 1.943 177.909 176.000 -0.057 0.000 0.966 232 Q CA 0.789 56.538 55.803 -0.090 0.000 0.845 232 Q CB -0.220 28.475 28.738 -0.073 0.000 0.907 232 Q HN 0.251 nan 8.270 nan 0.000 0.439 233 L N -0.098 121.096 121.223 -0.048 0.000 2.017 233 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 233 L C 2.351 179.222 176.870 0.002 0.000 1.073 233 L CA 2.114 56.941 54.840 -0.023 0.000 0.745 233 L CB -1.486 40.566 42.059 -0.012 0.000 0.894 233 L HN 0.298 nan 8.230 nan 0.000 0.432 234 S N -0.787 114.947 115.700 0.058 0.000 2.359 234 S HA -0.260 4.210 4.470 -0.000 0.000 0.223 234 S C 2.077 176.732 174.600 0.092 0.000 1.039 234 S CA 1.709 60.015 58.200 0.176 0.000 1.042 234 S CB -0.092 63.347 63.200 0.398 0.000 0.915 234 S HN 0.446 nan 8.310 nan 0.000 0.439 235 K N -0.245 120.225 120.400 0.117 0.000 2.032 235 K HA -0.067 4.253 4.320 -0.000 0.000 0.209 235 K C 2.359 178.889 176.600 -0.116 0.000 1.048 235 K CA 1.852 58.182 56.287 0.071 0.000 0.927 235 K CB -0.591 31.966 32.500 0.095 0.000 0.712 235 K HN 0.385 nan 8.250 nan 0.000 0.441 236 T N 1.533 116.031 114.554 -0.094 0.000 2.737 236 T HA -0.030 4.319 4.350 -0.000 0.000 0.265 236 T C 1.696 176.298 174.700 -0.163 0.000 1.038 236 T CA 0.971 63.007 62.100 -0.106 0.000 1.144 236 T CB 0.012 68.840 68.868 -0.066 0.000 0.866 236 T HN 0.104 nan 8.240 nan 0.000 0.434 237 L N 0.089 121.211 121.223 -0.169 0.000 2.567 237 L HA 0.204 4.544 4.340 -0.000 0.000 0.225 237 L C 0.187 176.876 176.870 -0.302 0.000 1.119 237 L CA -0.031 54.707 54.840 -0.168 0.000 0.871 237 L CB 0.017 42.030 42.059 -0.076 0.000 1.036 237 L HN 0.078 nan 8.230 nan 0.000 0.459 238 K N 0.836 120.870 120.400 -0.610 0.000 3.162 238 K HA -0.136 4.184 4.320 -0.000 0.000 0.268 238 K C -0.583 175.752 176.600 -0.442 0.000 1.062 238 K CA 0.820 56.309 56.287 -1.329 0.000 0.769 238 K CB -2.359 29.406 32.500 -1.224 0.000 1.274 238 K HN 0.324 nan 8.250 nan 0.000 0.478 239 I N 1.235 121.769 120.570 -0.061 0.000 2.382 239 I HA 0.225 4.395 4.170 -0.000 0.000 0.286 239 I C -2.086 174.304 176.117 0.455 0.000 1.002 239 I CA -2.417 59.053 61.300 0.283 0.000 1.135 239 I CB 1.898 40.016 38.000 0.196 0.000 1.288 239 I HN -0.179 nan 8.210 nan 0.000 0.448 240 P HA 0.185 nan 4.420 nan 0.000 0.269 240 P C -0.910 176.562 177.300 0.286 0.000 1.215 240 P CA -0.068 63.211 63.100 0.298 0.000 0.780 240 P CB 0.592 32.297 31.700 0.009 0.000 0.898 241 L N 2.772 124.170 121.223 0.293 0.000 2.334 241 L HA 0.642 4.982 4.340 -0.000 0.000 0.276 241 L C 0.452 177.414 176.870 0.153 0.000 1.014 241 L CA -0.641 54.425 54.840 0.377 0.000 0.815 241 L CB 1.106 43.558 42.059 0.656 0.000 1.268 241 L HN 0.392 nan 8.230 nan 0.000 0.428 242 M N 1.314 120.959 119.600 0.075 0.000 2.631 242 M HA 0.817 5.297 4.480 -0.000 0.000 0.288 242 M C -0.862 175.301 176.300 -0.229 0.000 1.260 242 M CA -0.494 54.676 55.300 -0.217 0.000 0.842 242 M CB 2.482 34.838 32.600 -0.407 0.000 1.743 242 M HN 0.505 nan 8.290 nan 0.000 0.461 243 S N -0.261 115.311 115.700 -0.213 0.000 2.661 243 S HA 0.756 5.226 4.470 -0.000 0.000 0.285 243 S C -0.248 174.441 174.600 0.148 0.000 1.138 243 S CA -0.161 57.891 58.200 -0.246 0.000 0.855 243 S CB 1.577 64.534 63.200 -0.405 0.000 1.136 243 S HN 1.011 nan 8.310 nan 0.000 0.484 244 T N -0.226 114.411 114.554 0.138 0.000 2.860 244 T HA 0.197 4.547 4.350 -0.000 0.000 0.299 244 T C 0.941 175.805 174.700 0.273 0.000 1.045 244 T CA -0.015 62.228 62.100 0.240 0.000 1.071 244 T CB 0.006 68.990 68.868 0.192 0.000 0.985 244 T HN 0.870 nan 8.240 nan 0.000 0.537 245 Y N 3.135 123.576 120.300 0.235 0.000 2.128 245 Y HA 0.062 4.612 4.550 -0.000 0.000 0.284 245 Y C -1.090 174.972 175.900 0.270 0.000 1.154 245 Y CA 0.983 59.221 58.100 0.229 0.000 1.149 245 Y CB -1.950 36.639 38.460 0.216 0.000 0.976 245 Y HN 0.515 nan 8.280 nan 0.000 0.505 246 P HA -0.104 nan 4.420 nan 0.000 0.221 246 P C 1.024 178.292 177.300 -0.053 0.000 1.145 246 P CA 2.187 65.108 63.100 -0.298 0.000 0.795 246 P CB -0.307 31.280 31.700 -0.187 0.000 0.775 247 A N -0.994 121.880 122.820 0.090 0.000 2.238 247 A HA -0.028 4.292 4.320 -0.000 0.000 0.208 247 A C 1.126 178.861 177.584 0.251 0.000 1.177 247 A CA -0.092 52.052 52.037 0.178 0.000 0.804 247 A CB -0.936 18.180 19.000 0.193 0.000 0.823 247 A HN 0.074 nan 8.150 nan 0.000 0.482 248 K N 0.143 120.712 120.400 0.281 0.000 2.484 248 K HA 0.226 4.546 4.320 -0.000 0.000 0.280 248 K C 1.130 177.835 176.600 0.175 0.000 1.013 248 K CA 1.029 57.441 56.287 0.209 0.000 1.029 248 K CB -0.124 32.479 32.500 0.171 0.000 0.902 248 K HN 0.691 nan 8.250 nan 0.000 0.481 249 G N 3.943 112.742 108.800 -0.002 0.000 2.258 249 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.233 249 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.233 249 G C 0.895 175.809 174.900 0.023 0.000 1.006 249 G CA 0.260 45.367 45.100 0.013 0.000 0.620 249 G HN 0.655 nan 8.290 nan 0.000 0.511 250 I N 0.634 121.245 120.570 0.069 0.000 2.208 250 I HA -0.047 4.123 4.170 -0.000 0.000 0.245 250 I C 1.172 177.258 176.117 -0.051 0.000 1.097 250 I CA 1.317 62.639 61.300 0.037 0.000 1.363 250 I CB -0.170 37.891 38.000 0.101 0.000 1.051 250 I HN 0.123 nan 8.210 nan 0.000 0.413 251 V N 1.268 121.140 119.914 -0.069 0.000 2.483 251 V HA 0.495 4.615 4.120 -0.000 0.000 0.295 251 V C 0.386 176.397 176.094 -0.138 0.000 1.035 251 V CA -1.205 61.027 62.300 -0.113 0.000 0.896 251 V CB 1.403 33.184 31.823 -0.069 0.000 0.986 251 V HN 0.238 nan 8.190 nan 0.000 0.447 252 A N 2.715 125.492 122.820 -0.071 0.000 2.565 252 A HA 0.062 4.382 4.320 -0.000 0.000 0.237 252 A C 1.180 178.738 177.584 -0.045 0.000 1.053 252 A CA -0.024 51.990 52.037 -0.038 0.000 0.755 252 A CB -0.119 18.889 19.000 0.013 0.000 0.980 252 A HN 0.928 nan 8.150 nan 0.000 0.506 253 D N 1.524 121.885 120.400 -0.064 0.000 2.265 253 D HA -0.188 4.452 4.640 -0.000 0.000 0.208 253 D C 1.966 178.329 176.300 0.106 0.000 0.977 253 D CA 1.758 55.758 54.000 0.000 0.000 0.871 253 D CB 0.033 40.842 40.800 0.016 0.000 0.925 253 D HN 0.848 nan 8.370 nan 0.000 0.485 254 R N -0.060 120.491 120.500 0.085 0.000 2.236 254 R HA -0.098 4.242 4.340 -0.000 0.000 0.208 254 R C 0.909 177.285 176.300 0.125 0.000 1.036 254 R CA -0.167 55.983 56.100 0.084 0.000 1.001 254 R CB -0.657 29.679 30.300 0.060 0.000 0.896 254 R HN -0.001 nan 8.270 nan 0.000 0.464 255 Y N 3.840 124.171 120.300 0.051 0.000 2.804 255 Y HA 0.067 4.617 4.550 -0.000 0.000 0.338 255 Y C -1.783 174.168 175.900 0.085 0.000 1.252 255 Y CA -2.578 55.566 58.100 0.074 0.000 1.576 255 Y CB 0.958 39.472 38.460 0.090 0.000 1.223 255 Y HN 0.005 nan 8.280 nan 0.000 0.536 256 P HA -0.051 nan 4.420 nan 0.000 0.226 256 P C 0.328 177.255 177.300 -0.622 0.000 1.153 256 P CA 1.807 64.640 63.100 -0.444 0.000 0.777 256 P CB 0.264 31.765 31.700 -0.331 0.000 0.794 257 A N -2.184 120.014 122.820 -1.037 0.000 2.423 257 A HA 0.092 4.412 4.320 -0.000 0.000 0.246 257 A C 0.059 177.525 177.584 -0.197 0.000 1.278 257 A CA -0.306 51.349 52.037 -0.637 0.000 0.903 257 A CB -1.100 17.620 19.000 -0.466 0.000 0.997 257 A HN 0.083 nan 8.150 nan 0.000 0.510 258 Y N 1.186 121.366 120.300 -0.200 0.000 2.486 258 Y HA 0.349 4.899 4.550 -0.000 0.000 0.348 258 Y C 0.787 176.664 175.900 -0.038 0.000 1.000 258 Y CA -0.709 57.426 58.100 0.057 0.000 1.253 258 Y CB 0.321 38.900 38.460 0.199 0.000 1.140 258 Y HN 0.201 nan 8.280 nan 0.000 0.526 259 L N 5.536 126.424 121.223 -0.558 0.000 2.313 259 L HA 0.186 4.526 4.340 -0.000 0.000 0.214 259 L C 1.461 177.922 176.870 -0.682 0.000 1.119 259 L CA 0.718 55.232 54.840 -0.543 0.000 0.809 259 L CB -0.875 40.926 42.059 -0.430 0.000 0.933 259 L HN 0.987 nan 8.230 nan 0.000 0.449 260 G N -0.026 108.048 108.800 -1.210 0.000 2.472 260 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.205 260 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.205 260 G C -0.399 174.239 174.900 -0.436 0.000 1.270 260 G CA -0.291 44.380 45.100 -0.714 0.000 0.974 260 G HN 0.339 nan 8.290 nan 0.000 0.542 261 S N -0.478 115.120 115.700 -0.171 0.000 2.704 261 S HA 0.968 5.438 4.470 -0.000 0.000 0.305 261 S C 0.360 174.870 174.600 -0.150 0.000 1.107 261 S CA 0.603 58.750 58.200 -0.088 0.000 0.993 261 S CB 1.817 65.098 63.200 0.135 0.000 1.110 261 S HN 2.438 nan 8.310 nan 0.000 0.534 262 A N 0.618 123.359 122.820 -0.131 0.000 2.261 262 A HA 0.770 5.090 4.320 -0.000 0.000 0.323 262 A C 0.698 178.293 177.584 0.018 0.000 1.107 262 A CA -0.227 51.736 52.037 -0.124 0.000 0.883 262 A CB -0.037 18.832 19.000 -0.219 0.000 1.251 262 A HN 1.264 nan 8.150 nan 0.000 0.502 263 N N -1.428 117.251 118.700 -0.036 0.000 2.054 263 N HA -0.242 4.498 4.740 -0.000 0.000 0.194 263 N C 1.198 176.600 175.510 -0.180 0.000 0.727 263 N CA 1.729 54.687 53.050 -0.155 0.000 1.387 263 N CB -0.922 37.316 38.487 -0.416 0.000 1.533 263 N HN 0.774 nan 8.380 nan 0.000 0.402 264 R N 0.369 120.750 120.500 -0.198 0.000 2.197 264 R HA 0.337 4.677 4.340 -0.000 0.000 0.188 264 R C 0.143 176.470 176.300 0.045 0.000 1.015 264 R CA 0.679 56.714 56.100 -0.108 0.000 1.132 264 R CB 0.311 30.517 30.300 -0.156 0.000 1.134 264 R HN 0.182 nan 8.270 nan 0.000 0.560 265 V N 2.803 122.776 119.914 0.097 0.000 2.157 265 V HA 0.394 4.514 4.120 -0.000 0.000 0.241 265 V C -0.198 175.889 176.094 -0.011 0.000 1.349 265 V CA 0.295 62.596 62.300 0.002 0.000 1.319 265 V CB -0.120 31.571 31.823 -0.220 0.000 1.421 265 V HN 0.415 nan 8.190 nan 0.000 0.501 266 A N 4.419 127.232 122.820 -0.011 0.000 2.609 266 A HA 0.821 5.141 4.320 -0.000 0.000 0.291 266 A C -1.016 176.522 177.584 -0.075 0.000 1.096 266 A CA -0.827 51.179 52.037 -0.051 0.000 0.684 266 A CB 1.776 20.715 19.000 -0.101 0.000 1.282 266 A HN 0.496 nan 8.150 nan 0.000 0.412 267 Q N 0.862 120.540 119.800 -0.204 0.000 2.353 267 Q HA 0.304 4.644 4.340 -0.000 0.000 0.268 267 Q C 0.348 175.864 176.000 -0.806 0.000 1.045 267 Q CA -0.754 54.788 55.803 -0.435 0.000 0.811 267 Q CB 2.621 31.213 28.738 -0.244 0.000 1.305 267 Q HN 0.880 nan 8.270 nan 0.000 0.447 268 K N 2.603 122.178 120.400 -1.373 0.000 2.077 268 K HA -0.217 4.103 4.320 -0.000 0.000 0.213 268 K C -1.039 175.123 176.600 -0.730 0.000 1.051 268 K CA 2.162 57.839 56.287 -1.017 0.000 0.929 268 K CB -0.586 31.216 32.500 -1.163 0.000 0.715 268 K HN 0.343 nan 8.250 nan 0.000 0.451 269 P HA -0.079 nan 4.420 nan 0.000 0.218 269 P C 0.805 177.855 177.300 -0.416 0.000 1.149 269 P CA 1.697 64.494 63.100 -0.505 0.000 0.817 269 P CB -0.006 31.414 31.700 -0.467 0.000 0.785 270 A N -0.242 122.308 122.820 -0.450 0.000 1.898 270 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 270 A C 2.198 179.590 177.584 -0.320 0.000 1.181 270 A CA 1.713 53.517 52.037 -0.389 0.000 0.620 270 A CB -1.428 17.319 19.000 -0.421 0.000 0.819 270 A HN 0.096 nan 8.150 nan 0.000 0.442 271 N N 0.016 118.532 118.700 -0.307 0.000 2.084 271 N HA -0.138 4.601 4.740 -0.000 0.000 0.190 271 N C 1.711 177.113 175.510 -0.180 0.000 1.030 271 N CA 1.656 54.567 53.050 -0.232 0.000 0.849 271 N CB -0.405 37.946 38.487 -0.226 0.000 1.012 271 N HN 0.660 nan 8.380 nan 0.000 0.423 272 E N 0.583 120.665 120.200 -0.196 0.000 2.051 272 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 272 E C 1.973 178.538 176.600 -0.059 0.000 0.991 272 E CA 1.104 57.426 56.400 -0.130 0.000 0.799 272 E CB -0.105 29.504 29.700 -0.151 0.000 0.748 272 E HN 0.339 nan 8.360 nan 0.000 0.449 273 A N 1.383 124.149 122.820 -0.090 0.000 1.877 273 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 273 A C 2.188 179.871 177.584 0.165 0.000 1.186 273 A CA 1.135 53.198 52.037 0.042 0.000 0.620 273 A CB -0.647 18.289 19.000 -0.106 0.000 0.822 273 A HN 0.222 nan 8.150 nan 0.000 0.443 274 L N -0.064 121.163 121.223 0.007 0.000 2.042 274 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 274 L C 2.654 179.546 176.870 0.036 0.000 1.076 274 L CA 2.215 57.059 54.840 0.006 0.000 0.749 274 L CB -0.819 41.163 42.059 -0.129 0.000 0.893 274 L HN 0.368 nan 8.230 nan 0.000 0.432 275 A N -1.591 121.233 122.820 0.006 0.000 2.019 275 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 275 A C 2.056 179.662 177.584 0.036 0.000 1.164 275 A CA 1.562 53.602 52.037 0.004 0.000 0.644 275 A CB -0.343 18.644 19.000 -0.022 0.000 0.805 275 A HN 0.614 nan 8.150 nan 0.000 0.449 276 Q N -0.777 119.081 119.800 0.095 0.000 2.396 276 Q HA 0.318 4.658 4.340 -0.000 0.000 0.209 276 Q C 0.851 176.822 176.000 -0.048 0.000 0.906 276 Q CA 0.647 56.504 55.803 0.090 0.000 0.927 276 Q CB -0.378 28.522 28.738 0.271 0.000 1.069 276 Q HN 0.572 nan 8.270 nan 0.000 0.523 277 A N 2.682 125.504 122.820 0.004 0.000 2.477 277 A HA 0.084 4.404 4.320 -0.000 0.000 0.246 277 A C 0.800 178.312 177.584 -0.121 0.000 1.078 277 A CA 0.177 52.141 52.037 -0.123 0.000 0.770 277 A CB 0.215 19.261 19.000 0.077 0.000 1.011 277 A HN 0.227 nan 8.150 nan 0.000 0.494 278 D N 1.058 121.337 120.400 -0.202 0.000 2.301 278 D HA 0.043 4.683 4.640 -0.000 0.000 0.206 278 D C 0.081 176.357 176.300 -0.040 0.000 0.979 278 D CA 0.616 54.540 54.000 -0.127 0.000 0.874 278 D CB -0.103 40.602 40.800 -0.158 0.000 0.968 278 D HN 0.181 nan 8.370 nan 0.000 0.510 279 V N 1.202 121.108 119.914 -0.013 0.000 2.577 279 V HA 0.399 4.519 4.120 -0.000 0.000 0.303 279 V C -0.532 175.602 176.094 0.067 0.000 1.042 279 V CA -0.999 61.340 62.300 0.066 0.000 0.872 279 V CB 2.461 34.341 31.823 0.096 0.000 0.998 279 V HN -0.065 nan 8.190 nan 0.000 0.423 280 V N 5.617 125.560 119.914 0.047 0.000 2.409 280 V HA 0.426 4.546 4.120 -0.000 0.000 0.291 280 V C -0.389 175.631 176.094 -0.123 0.000 1.020 280 V CA -0.616 61.699 62.300 0.025 0.000 0.848 280 V CB 1.731 33.596 31.823 0.071 0.000 0.990 280 V HN 0.685 nan 8.190 nan 0.000 0.430 281 L N 6.029 127.247 121.223 -0.008 0.000 2.295 281 L HA 0.491 4.831 4.340 -0.000 0.000 0.288 281 L C -0.806 176.078 176.870 0.024 0.000 1.079 281 L CA 0.141 54.959 54.840 -0.037 0.000 0.830 281 L CB 0.264 42.340 42.059 0.028 0.000 1.200 281 L HN 0.547 nan 8.230 nan 0.000 0.438 282 F N 6.333 126.076 119.950 -0.345 0.000 2.334 282 F HA 0.582 5.109 4.527 0.000 0.000 0.367 282 F C -0.709 175.000 175.800 -0.152 0.000 1.115 282 F CA -0.561 57.253 58.000 -0.310 0.000 1.116 282 F CB 0.892 39.481 39.000 -0.686 0.000 1.230 282 F HN 0.206 nan 8.300 nan 0.000 0.484 283 V N 4.561 124.339 119.914 -0.226 0.000 2.487 283 V HA 0.551 4.671 4.120 -0.000 0.000 0.298 283 V C 0.540 176.535 176.094 -0.165 0.000 1.028 283 V CA -0.796 61.432 62.300 -0.120 0.000 0.860 283 V CB 1.015 32.841 31.823 0.005 0.000 0.991 283 V HN 0.982 nan 8.190 nan 0.000 0.427 284 G N 3.074 111.798 108.800 -0.126 0.000 2.393 284 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.299 284 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.299 284 G C -0.028 174.772 174.900 -0.167 0.000 0.990 284 G CA 0.714 45.759 45.100 -0.091 0.000 1.118 284 G HN 0.786 nan 8.290 nan 0.000 0.513 285 N N -0.250 118.240 118.700 -0.351 0.000 2.371 285 N HA 0.388 5.128 4.740 -0.000 0.000 0.291 285 N C -0.576 174.752 175.510 -0.303 0.000 1.053 285 N CA -0.896 51.816 53.050 -0.564 0.000 0.870 285 N CB 1.514 39.141 38.487 -1.434 0.000 1.503 285 N HN 0.086 nan 8.380 nan 0.000 0.485 286 N N 2.816 121.517 118.700 0.001 0.000 2.571 286 N HA 0.069 4.809 4.740 -0.000 0.000 0.298 286 N C -1.299 174.400 175.510 0.315 0.000 1.671 286 N CA -0.405 52.775 53.050 0.216 0.000 0.900 286 N CB -0.228 38.349 38.487 0.149 0.000 1.365 286 N HN 0.442 nan 8.380 nan 0.000 0.493 287 Y N 2.240 122.695 120.300 0.257 0.000 2.863 287 Y HA 0.032 4.582 4.550 -0.000 0.000 0.359 287 Y C -1.327 174.728 175.900 0.258 0.000 1.312 287 Y CA -1.111 57.174 58.100 0.308 0.000 1.650 287 Y CB 0.722 39.445 38.460 0.438 0.000 1.201 287 Y HN 0.310 nan 8.280 nan 0.000 0.531 288 P HA -0.091 nan 4.420 nan 0.000 0.241 288 P C 0.529 177.486 177.300 -0.571 0.000 1.191 288 P CA 1.086 63.986 63.100 -0.332 0.000 0.771 288 P CB -0.028 31.406 31.700 -0.443 0.000 0.929 289 F N -0.188 119.392 119.950 -0.617 0.000 2.765 289 F HA 0.326 4.853 4.527 -0.000 0.000 0.302 289 F C 2.386 177.963 175.800 -0.371 0.000 1.111 289 F CA 0.028 57.690 58.000 -0.563 0.000 1.359 289 F CB -0.907 37.663 39.000 -0.716 0.000 1.097 289 F HN -0.078 nan 8.300 nan 0.000 0.577 290 A N 0.764 123.541 122.820 -0.072 0.000 1.849 290 A HA -0.247 4.072 4.320 -0.000 0.000 0.217 290 A C 2.081 179.723 177.584 0.096 0.000 1.202 290 A CA 2.294 54.447 52.037 0.192 0.000 0.629 290 A CB -0.664 18.606 19.000 0.450 0.000 0.834 290 A HN 0.338 nan 8.150 nan 0.000 0.447 291 E N -0.334 119.916 120.200 0.083 0.000 2.028 291 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 291 E C 2.119 178.742 176.600 0.038 0.000 0.984 291 E CA 1.559 57.996 56.400 0.062 0.000 0.800 291 E CB -0.726 28.998 29.700 0.040 0.000 0.758 291 E HN 0.617 nan 8.360 nan 0.000 0.448 292 V N 0.122 120.054 119.914 0.029 0.000 2.469 292 V HA -0.220 3.900 4.120 -0.000 0.000 0.251 292 V C 2.029 178.152 176.094 0.048 0.000 1.064 292 V CA 2.065 64.387 62.300 0.037 0.000 1.066 292 V CB -0.845 31.004 31.823 0.043 0.000 0.667 292 V HN 0.325 nan 8.190 nan 0.000 0.461 293 S N -1.068 114.668 115.700 0.059 0.000 2.575 293 S HA 0.151 4.621 4.470 -0.000 0.000 0.215 293 S C 0.997 175.600 174.600 0.004 0.000 0.966 293 S CA 0.238 58.461 58.200 0.038 0.000 0.911 293 S CB -0.598 62.636 63.200 0.056 0.000 0.780 293 S HN 0.719 nan 8.310 nan 0.000 0.514 294 K N 0.314 120.717 120.400 0.006 0.000 3.035 294 K HA -0.240 4.080 4.320 -0.000 0.000 0.262 294 K C 1.206 177.769 176.600 -0.063 0.000 1.024 294 K CA 0.410 56.695 56.287 -0.003 0.000 0.748 294 K CB -2.200 30.303 32.500 0.005 0.000 1.247 294 K HN 0.582 nan 8.250 nan 0.000 0.482 295 A N 0.347 123.070 122.820 -0.161 0.000 1.927 295 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 295 A C 1.233 178.546 177.584 -0.451 0.000 1.185 295 A CA 1.659 53.469 52.037 -0.378 0.000 0.639 295 A CB -0.332 18.301 19.000 -0.611 0.000 0.820 295 A HN 0.361 nan 8.150 nan 0.000 0.451 296 F N -0.090 119.875 119.950 0.026 0.000 2.750 296 F HA 0.215 4.742 4.527 -0.000 0.000 0.297 296 F C 1.644 177.397 175.800 -0.078 0.000 1.138 296 F CA -0.034 57.892 58.000 -0.122 0.000 1.346 296 F CB -0.020 38.675 39.000 -0.507 0.000 0.965 296 F HN 0.359 nan 8.300 nan 0.000 0.514 297 K N -0.328 120.128 120.400 0.094 0.000 2.148 297 K HA -0.086 4.234 4.320 -0.000 0.000 0.204 297 K C 0.686 177.329 176.600 0.073 0.000 1.050 297 K CA 1.552 57.897 56.287 0.095 0.000 0.942 297 K CB -0.090 32.439 32.500 0.048 0.000 0.724 297 K HN 0.123 nan 8.250 nan 0.000 0.446 298 N N 0.964 119.693 118.700 0.048 0.000 2.214 298 N HA 0.039 4.779 4.740 -0.000 0.000 0.214 298 N C -0.639 174.877 175.510 0.011 0.000 1.132 298 N CA 0.148 53.210 53.050 0.021 0.000 0.856 298 N CB 0.979 39.468 38.487 0.003 0.000 1.020 298 N HN 0.139 nan 8.380 nan 0.000 0.509 299 T N 0.685 115.264 114.554 0.040 0.000 2.814 299 T HA 0.136 4.486 4.350 -0.000 0.000 0.297 299 T C 1.454 176.140 174.700 -0.024 0.000 0.956 299 T CA -0.210 61.906 62.100 0.028 0.000 1.123 299 T CB 2.312 71.228 68.868 0.079 0.000 0.902 299 T HN 0.131 nan 8.240 nan 0.000 0.528 300 R N 1.996 122.426 120.500 -0.116 0.000 2.055 300 R HA 0.024 4.364 4.340 -0.000 0.000 0.226 300 R C -0.399 175.672 176.300 -0.381 0.000 1.135 300 R CA 1.048 56.951 56.100 -0.327 0.000 0.959 300 R CB 0.195 30.176 30.300 -0.532 0.000 0.854 300 R HN 0.591 nan 8.270 nan 0.000 0.431 301 Y N -1.095 119.246 120.300 0.068 0.000 2.409 301 Y HA 0.355 4.905 4.550 -0.000 0.000 0.343 301 Y C -1.134 174.835 175.900 0.115 0.000 0.973 301 Y CA -1.336 56.817 58.100 0.088 0.000 1.064 301 Y CB 1.524 40.009 38.460 0.042 0.000 1.207 301 Y HN -0.062 nan 8.280 nan 0.000 0.452 302 F N 4.734 124.762 119.950 0.129 0.000 2.445 302 F HA 0.656 5.183 4.527 -0.000 0.000 0.348 302 F C -1.508 174.306 175.800 0.024 0.000 1.125 302 F CA -0.978 57.011 58.000 -0.018 0.000 0.983 302 F CB 0.626 39.579 39.000 -0.078 0.000 1.198 302 F HN 0.334 nan 8.300 nan 0.000 0.436 303 L N 5.788 126.842 121.223 -0.282 0.000 2.296 303 L HA 0.544 4.884 4.340 -0.000 0.000 0.286 303 L C -0.550 176.175 176.870 -0.242 0.000 1.023 303 L CA -0.610 54.136 54.840 -0.157 0.000 0.812 303 L CB 1.698 43.705 42.059 -0.086 0.000 1.223 303 L HN 0.559 nan 8.230 nan 0.000 0.421 304 Q N 3.509 123.269 119.800 -0.067 0.000 2.353 304 Q HA 0.675 5.015 4.340 -0.000 0.000 0.268 304 Q C -1.456 174.565 176.000 0.036 0.000 1.045 304 Q CA -0.615 55.198 55.803 0.016 0.000 0.811 304 Q CB 2.535 31.380 28.738 0.179 0.000 1.305 304 Q HN 0.602 nan 8.270 nan 0.000 0.447 305 I N 2.910 123.496 120.570 0.027 0.000 2.447 305 I HA 0.477 4.647 4.170 -0.000 0.000 0.287 305 I C -0.921 175.204 176.117 0.013 0.000 1.023 305 I CA -0.548 60.761 61.300 0.015 0.000 1.083 305 I CB 1.842 39.840 38.000 -0.004 0.000 1.245 305 I HN 0.521 nan 8.210 nan 0.000 0.434 306 D N 4.859 125.273 120.400 0.023 0.000 2.717 306 D HA 0.284 4.924 4.640 -0.000 0.000 0.223 306 D C 0.021 176.331 176.300 0.016 0.000 1.240 306 D CA -0.479 53.532 54.000 0.018 0.000 0.801 306 D CB 2.977 43.803 40.800 0.043 0.000 1.556 306 D HN 0.490 nan 8.370 nan 0.000 0.462 307 I N 0.776 121.349 120.570 0.006 0.000 2.876 307 I HA -0.070 4.100 4.170 -0.000 0.000 0.264 307 I C 0.157 176.277 176.117 0.006 0.000 1.204 307 I CA 0.593 61.896 61.300 0.005 0.000 1.485 307 I CB 0.361 38.361 38.000 0.001 0.000 1.103 307 I HN 0.214 nan 8.210 nan 0.000 0.446 308 D N 1.006 121.409 120.400 0.005 0.000 2.329 308 D HA 0.156 4.796 4.640 -0.000 0.000 0.232 308 D C -1.621 174.691 176.300 0.019 0.000 1.088 308 D CA -2.615 51.387 54.000 0.004 0.000 0.835 308 D CB 1.467 42.258 40.800 -0.014 0.000 1.078 308 D HN -0.012 nan 8.370 nan 0.000 0.495 309 P HA -0.132 nan 4.420 nan 0.000 0.219 309 P C 0.943 178.260 177.300 0.028 0.000 1.146 309 P CA 0.769 63.883 63.100 0.023 0.000 0.808 309 P CB 0.151 31.861 31.700 0.016 0.000 0.779 310 A N 0.009 122.842 122.820 0.022 0.000 2.121 310 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 310 A C 1.983 179.593 177.584 0.044 0.000 1.154 310 A CA 1.237 53.289 52.037 0.025 0.000 0.679 310 A CB -0.624 18.384 19.000 0.013 0.000 0.795 310 A HN 0.066 nan 8.150 nan 0.000 0.458 311 K N -0.477 119.957 120.400 0.058 0.000 2.379 311 K HA 0.267 4.587 4.320 -0.000 0.000 0.194 311 K C 0.059 176.736 176.600 0.128 0.000 1.031 311 K CA 0.050 56.396 56.287 0.098 0.000 1.037 311 K CB -0.063 32.498 32.500 0.103 0.000 0.824 311 K HN 0.427 nan 8.250 nan 0.000 0.516 312 L N 1.405 122.686 121.223 0.098 0.000 2.325 312 L HA 0.153 4.493 4.340 -0.000 0.000 0.284 312 L C 0.937 177.867 176.870 0.099 0.000 1.089 312 L CA 0.137 55.043 54.840 0.110 0.000 0.836 312 L CB 0.269 42.375 42.059 0.078 0.000 1.184 312 L HN 0.459 nan 8.230 nan 0.000 0.444 313 G N 2.624 111.503 108.800 0.131 0.000 2.153 313 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.252 313 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.252 313 G C 1.037 175.956 174.900 0.031 0.000 0.994 313 G CA 0.707 45.851 45.100 0.074 0.000 0.698 313 G HN 0.758 nan 8.290 nan 0.000 0.521 314 K N -0.354 120.091 120.400 0.076 0.000 2.044 314 K HA 0.059 4.379 4.320 -0.000 0.000 0.204 314 K C 2.461 179.084 176.600 0.040 0.000 1.049 314 K CA 0.919 57.243 56.287 0.063 0.000 0.945 314 K CB -0.132 32.431 32.500 0.104 0.000 0.724 314 K HN 0.236 nan 8.250 nan 0.000 0.440 315 R N -0.407 120.125 120.500 0.053 0.000 2.254 315 R HA 0.149 4.489 4.340 -0.000 0.000 0.195 315 R C 0.339 176.569 176.300 -0.117 0.000 0.957 315 R CA 0.440 56.561 56.100 0.036 0.000 1.024 315 R CB 0.141 30.530 30.300 0.148 0.000 0.952 315 R HN 0.374 nan 8.270 nan 0.000 0.484 316 H N -0.381 118.390 119.070 -0.498 0.000 3.024 316 H HA 0.164 4.720 4.556 -0.000 0.000 0.324 316 H C -1.142 173.885 175.328 -0.502 0.000 1.347 316 H CA -0.718 54.899 56.048 -0.718 0.000 1.182 316 H CB 2.130 30.872 29.762 -1.700 0.000 1.889 316 H HN -0.186 nan 8.280 nan 0.000 0.528 317 K N 1.992 121.998 120.400 -0.658 0.000 2.451 317 K HA 0.079 4.399 4.320 -0.000 0.000 0.280 317 K C -0.168 176.433 176.600 0.002 0.000 1.020 317 K CA 0.138 56.266 56.287 -0.265 0.000 1.008 317 K CB 0.394 32.740 32.500 -0.258 0.000 0.917 317 K HN 0.574 nan 8.250 nan 0.000 0.478 318 T N 0.614 115.237 114.554 0.114 0.000 2.909 318 T HA 0.189 4.539 4.350 -0.000 0.000 0.286 318 T C 0.416 175.221 174.700 0.175 0.000 1.002 318 T CA -0.797 61.455 62.100 0.254 0.000 1.074 318 T CB 1.324 70.325 68.868 0.221 0.000 0.984 318 T HN 0.564 nan 8.240 nan 0.000 0.495 319 D N 1.254 121.774 120.400 0.200 0.000 2.277 319 D HA 0.197 4.837 4.640 -0.000 0.000 0.209 319 D C 0.345 176.683 176.300 0.063 0.000 0.970 319 D CA 0.780 54.859 54.000 0.132 0.000 0.874 319 D CB 0.537 41.441 40.800 0.174 0.000 0.982 319 D HN 0.512 nan 8.370 nan 0.000 0.504 320 I N 0.421 121.028 120.570 0.062 0.000 2.607 320 I HA 0.391 4.561 4.170 -0.000 0.000 0.290 320 I C -1.096 175.050 176.117 0.047 0.000 1.129 320 I CA -0.741 60.578 61.300 0.031 0.000 1.042 320 I CB 2.526 40.522 38.000 -0.005 0.000 1.242 320 I HN -0.221 nan 8.210 nan 0.000 0.421 321 A N 5.817 128.665 122.820 0.046 0.000 2.356 321 A HA 0.858 5.178 4.320 -0.000 0.000 0.310 321 A C -1.175 176.430 177.584 0.034 0.000 1.075 321 A CA -0.567 51.503 52.037 0.055 0.000 0.746 321 A CB 1.523 20.567 19.000 0.073 0.000 1.221 321 A HN 0.400 nan 8.150 nan 0.000 0.443 322 V N 3.335 123.267 119.914 0.030 0.000 2.378 322 V HA 0.291 4.411 4.120 -0.000 0.000 0.288 322 V C -0.505 175.602 176.094 0.022 0.000 1.016 322 V CA -0.374 61.937 62.300 0.018 0.000 0.840 322 V CB 1.346 33.174 31.823 0.008 0.000 0.994 322 V HN 0.790 nan 8.190 nan 0.000 0.431 323 L N 6.062 127.296 121.223 0.019 0.000 2.375 323 L HA 0.776 5.116 4.340 -0.000 0.000 0.276 323 L C 0.221 177.097 176.870 0.010 0.000 1.162 323 L CA 0.543 55.394 54.840 0.018 0.000 0.991 323 L CB -0.299 41.771 42.059 0.018 0.000 1.315 323 L HN 0.824 nan 8.230 nan 0.000 0.431 324 A N 2.922 125.747 122.820 0.008 0.000 2.601 324 A HA 0.394 4.714 4.320 -0.000 0.000 0.291 324 A C -1.205 176.380 177.584 0.000 0.000 1.075 324 A CA -0.841 51.197 52.037 0.002 0.000 0.671 324 A CB 0.524 19.523 19.000 -0.001 0.000 1.277 324 A HN 0.489 nan 8.150 nan 0.000 0.417 325 D N 0.958 121.356 120.400 -0.002 0.000 2.583 325 D HA 0.328 4.968 4.640 -0.000 0.000 0.232 325 D C 1.357 177.652 176.300 -0.008 0.000 1.128 325 D CA 1.109 55.106 54.000 -0.004 0.000 0.859 325 D CB 1.010 41.807 40.800 -0.005 0.000 1.169 325 D HN 0.814 nan 8.370 nan 0.000 0.481 326 A N 3.866 126.680 122.820 -0.009 0.000 1.877 326 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 326 A C 1.973 179.543 177.584 -0.023 0.000 1.186 326 A CA 1.384 53.412 52.037 -0.016 0.000 0.620 326 A CB -0.577 18.414 19.000 -0.016 0.000 0.822 326 A HN 0.789 nan 8.150 nan 0.000 0.443 327 Q N -0.114 119.671 119.800 -0.024 0.000 2.046 327 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 327 Q C 1.978 177.963 176.000 -0.025 0.000 0.975 327 Q CA 1.739 57.524 55.803 -0.030 0.000 0.836 327 Q CB -0.152 28.570 28.738 -0.027 0.000 0.896 327 Q HN 0.702 nan 8.270 nan 0.000 0.428 328 K N -0.584 119.805 120.400 -0.018 0.000 2.103 328 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 328 K C 2.095 178.685 176.600 -0.017 0.000 1.048 328 K CA 1.823 58.100 56.287 -0.016 0.000 0.930 328 K CB -0.056 32.437 32.500 -0.012 0.000 0.716 328 K HN 0.219 nan 8.250 nan 0.000 0.444 329 T N 1.675 116.219 114.554 -0.016 0.000 2.770 329 T HA -0.035 4.315 4.350 -0.000 0.000 0.263 329 T C 1.885 176.573 174.700 -0.018 0.000 1.039 329 T CA 0.873 62.964 62.100 -0.015 0.000 1.142 329 T CB -0.139 68.722 68.868 -0.012 0.000 0.868 329 T HN 0.082 nan 8.240 nan 0.000 0.435 330 L N 0.896 122.105 121.223 -0.023 0.000 2.083 330 L HA -0.042 4.298 4.340 -0.000 0.000 0.209 330 L C 3.016 179.868 176.870 -0.030 0.000 1.083 330 L CA 1.052 55.876 54.840 -0.028 0.000 0.752 330 L CB -0.641 41.393 42.059 -0.041 0.000 0.899 330 L HN 0.242 nan 8.230 nan 0.000 0.433 331 A N 0.048 122.850 122.820 -0.030 0.000 1.930 331 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 331 A C 2.535 180.105 177.584 -0.024 0.000 1.175 331 A CA 1.618 53.638 52.037 -0.028 0.000 0.627 331 A CB -0.626 18.358 19.000 -0.026 0.000 0.815 331 A HN 0.384 nan 8.150 nan 0.000 0.443 332 A N -0.092 122.716 122.820 -0.021 0.000 1.930 332 A HA -0.033 4.286 4.320 -0.000 0.000 0.217 332 A C 2.089 179.662 177.584 -0.019 0.000 1.175 332 A CA 1.419 53.445 52.037 -0.018 0.000 0.627 332 A CB -0.561 18.429 19.000 -0.016 0.000 0.815 332 A HN 0.501 nan 8.150 nan 0.000 0.443 333 I N -0.918 119.641 120.570 -0.019 0.000 2.202 333 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 333 I C 2.377 178.482 176.117 -0.021 0.000 1.091 333 I CA 1.095 62.384 61.300 -0.019 0.000 1.368 333 I CB -0.297 37.693 38.000 -0.016 0.000 1.058 333 I HN 0.357 nan 8.210 nan 0.000 0.410 334 L N 1.325 122.533 121.223 -0.024 0.000 2.127 334 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 334 L C 2.387 179.242 176.870 -0.025 0.000 1.089 334 L CA 1.986 56.810 54.840 -0.027 0.000 0.757 334 L CB -0.708 41.331 42.059 -0.032 0.000 0.899 334 L HN 0.195 nan 8.230 nan 0.000 0.434 335 A N -0.987 121.820 122.820 -0.022 0.000 2.168 335 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 335 A C 1.871 179.443 177.584 -0.019 0.000 1.152 335 A CA 1.059 53.084 52.037 -0.020 0.000 0.716 335 A CB -0.477 18.512 19.000 -0.018 0.000 0.794 335 A HN 0.757 nan 8.150 nan 0.000 0.465 336 Q N -0.346 119.442 119.800 -0.020 0.000 2.171 336 Q HA 0.353 4.693 4.340 -0.000 0.000 0.218 336 Q C -0.031 175.956 176.000 -0.020 0.000 0.822 336 Q CA 0.218 56.009 55.803 -0.019 0.000 0.987 336 Q CB -0.119 28.608 28.738 -0.018 0.000 1.144 336 Q HN 0.468 nan 8.270 nan 0.000 0.494 337 V N -1.412 118.488 119.914 -0.023 0.000 3.046 337 V HA 0.891 5.011 4.120 -0.000 0.000 0.316 337 V C -0.377 175.700 176.094 -0.028 0.000 1.104 337 V CA -0.368 61.916 62.300 -0.026 0.000 1.006 337 V CB 1.826 33.632 31.823 -0.029 0.000 1.058 337 V HN 0.313 nan 8.190 nan 0.000 0.440 338 S N 0.169 115.851 115.700 -0.030 0.000 2.704 338 S HA 0.659 5.129 4.470 -0.000 0.000 0.296 338 S C -0.400 174.175 174.600 -0.042 0.000 1.138 338 S CA -0.665 57.516 58.200 -0.031 0.000 0.875 338 S CB 1.416 64.601 63.200 -0.025 0.000 1.151 338 S HN 1.210 nan 8.310 nan 0.000 0.500 339 E N 0.930 121.105 120.200 -0.042 0.000 2.765 339 E HA 0.000 4.350 4.350 -0.000 0.000 0.256 339 E C -0.431 176.132 176.600 -0.061 0.000 0.935 339 E CA 0.784 57.151 56.400 -0.055 0.000 0.954 339 E CB 0.201 29.877 29.700 -0.041 0.000 0.908 339 E HN 0.465 nan 8.360 nan 0.000 0.500 340 R N 3.893 124.338 120.500 -0.091 0.000 2.668 340 R HA 0.290 4.630 4.340 -0.000 0.000 0.279 340 R C -0.076 176.157 176.300 -0.111 0.000 0.976 340 R CA -0.889 55.156 56.100 -0.092 0.000 0.978 340 R CB 1.222 31.458 30.300 -0.107 0.000 1.133 340 R HN 0.642 nan 8.270 nan 0.000 0.484 341 E N 0.832 120.987 120.200 -0.074 0.000 2.404 341 E HA -0.013 4.337 4.350 -0.000 0.000 0.261 341 E C 0.001 176.543 176.600 -0.098 0.000 1.074 341 E CA 0.048 56.412 56.400 -0.060 0.000 0.917 341 E CB 0.913 30.604 29.700 -0.015 0.000 0.965 341 E HN 0.379 nan 8.360 nan 0.000 0.433 342 S N 1.007 116.666 115.700 -0.068 0.000 2.549 342 S HA -0.008 4.462 4.470 -0.000 0.000 0.278 342 S C -0.126 174.506 174.600 0.053 0.000 1.344 342 S CA 0.292 58.484 58.200 -0.013 0.000 1.025 342 S CB 0.276 63.569 63.200 0.155 0.000 0.851 342 S HN 0.561 nan 8.310 nan 0.000 0.530 343 T N 1.339 115.974 114.554 0.136 0.000 2.901 343 T HA 0.587 4.937 4.350 -0.000 0.000 0.293 343 T C -2.421 172.372 174.700 0.154 0.000 1.084 343 T CA -1.675 60.517 62.100 0.153 0.000 1.008 343 T CB 1.295 70.273 68.868 0.184 0.000 1.170 343 T HN 0.326 nan 8.240 nan 0.000 0.509 344 P HA -0.090 nan 4.420 nan 0.000 0.216 344 P C 1.361 178.730 177.300 0.115 0.000 1.153 344 P CA 0.933 64.114 63.100 0.135 0.000 0.858 344 P CB -0.073 31.769 31.700 0.237 0.000 0.789 345 W N -0.345 120.980 121.300 0.041 0.000 2.335 345 W HA -0.198 4.462 4.660 0.000 0.000 0.311 345 W C 2.089 178.634 176.519 0.043 0.000 1.213 345 W CA 1.058 58.431 57.345 0.047 0.000 1.274 345 W CB -1.089 28.416 29.460 0.076 0.000 1.148 345 W HN 0.066 nan 8.180 nan 0.000 0.498 346 W N 1.725 122.940 121.300 -0.142 0.000 2.333 346 W HA -0.279 4.381 4.660 -0.000 0.000 0.316 346 W C 2.202 178.482 176.519 -0.399 0.000 1.215 346 W CA 1.742 58.923 57.345 -0.274 0.000 1.278 346 W CB -0.498 28.895 29.460 -0.111 0.000 1.154 346 W HN 0.014 nan 8.180 nan 0.000 0.486 347 Q N 0.489 120.014 119.800 -0.459 0.000 2.050 347 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 347 Q C 2.485 177.966 176.000 -0.865 0.000 0.980 347 Q CA 1.983 57.254 55.803 -0.887 0.000 0.840 347 Q CB -1.292 26.591 28.738 -1.425 0.000 0.898 347 Q HN 0.407 nan 8.270 nan 0.000 0.424 348 A N 1.858 124.293 122.820 -0.642 0.000 1.883 348 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 348 A C 1.947 179.306 177.584 -0.376 0.000 1.186 348 A CA 1.723 53.634 52.037 -0.211 0.000 0.624 348 A CB -0.583 18.423 19.000 0.009 0.000 0.822 348 A HN 0.359 nan 8.150 nan 0.000 0.444 349 N N -0.058 118.294 118.700 -0.580 0.000 2.142 349 N HA -0.078 4.662 4.740 -0.000 0.000 0.186 349 N C 1.769 176.915 175.510 -0.608 0.000 1.023 349 N CA 1.377 54.049 53.050 -0.630 0.000 0.852 349 N CB -0.367 37.647 38.487 -0.789 0.000 0.998 349 N HN 0.499 nan 8.380 nan 0.000 0.424 350 L N 0.950 121.742 121.223 -0.719 0.000 2.042 350 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 350 L C 2.499 179.059 176.870 -0.517 0.000 1.076 350 L CA 1.163 55.596 54.840 -0.679 0.000 0.749 350 L CB -0.476 41.105 42.059 -0.797 0.000 0.893 350 L HN 0.128 nan 8.230 nan 0.000 0.432 351 A N -0.161 122.340 122.820 -0.532 0.000 1.930 351 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 351 A C 2.048 179.093 177.584 -0.897 0.000 1.175 351 A CA 1.869 53.537 52.037 -0.615 0.000 0.627 351 A CB -0.587 18.090 19.000 -0.538 0.000 0.815 351 A HN 0.429 nan 8.150 nan 0.000 0.443 352 N N 0.250 118.458 118.700 -0.819 0.000 2.084 352 N HA -0.129 4.611 4.740 -0.000 0.000 0.190 352 N C 1.548 176.895 175.510 -0.272 0.000 1.030 352 N CA 1.766 54.494 53.050 -0.537 0.000 0.849 352 N CB -0.393 37.916 38.487 -0.297 0.000 1.012 352 N HN 0.157 nan 8.380 nan 0.000 0.423 353 V N 1.076 120.821 119.914 -0.281 0.000 2.287 353 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 353 V C 2.267 178.317 176.094 -0.074 0.000 1.053 353 V CA 1.648 63.863 62.300 -0.141 0.000 1.027 353 V CB -0.468 31.222 31.823 -0.222 0.000 0.646 353 V HN 0.359 nan 8.190 nan 0.000 0.447 354 K N 0.112 120.408 120.400 -0.174 0.000 2.032 354 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 354 K C 2.207 178.776 176.600 -0.052 0.000 1.048 354 K CA 1.776 57.990 56.287 -0.121 0.000 0.927 354 K CB -0.441 31.965 32.500 -0.156 0.000 0.712 354 K HN 0.532 nan 8.250 nan 0.000 0.441 355 N N 0.401 119.069 118.700 -0.054 0.000 2.104 355 N HA -0.216 4.524 4.740 -0.000 0.000 0.190 355 N C 1.717 177.318 175.510 0.152 0.000 1.024 355 N CA 1.162 54.249 53.050 0.062 0.000 0.853 355 N CB -0.088 38.472 38.487 0.122 0.000 1.008 355 N HN 0.425 nan 8.380 nan 0.000 0.424 356 W N 2.005 123.275 121.300 -0.049 0.000 2.379 356 W HA -0.085 4.575 4.660 0.000 0.000 0.307 356 W C 1.903 178.441 176.519 0.032 0.000 1.200 356 W CA 0.699 58.038 57.345 -0.011 0.000 1.297 356 W CB -0.180 29.234 29.460 -0.077 0.000 1.140 356 W HN 0.079 nan 8.180 nan 0.000 0.507 357 R N 0.418 120.864 120.500 -0.091 0.000 2.096 357 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 357 R C 2.476 178.663 176.300 -0.187 0.000 1.127 357 R CA 1.586 57.557 56.100 -0.215 0.000 0.968 357 R CB -0.925 29.319 30.300 -0.092 0.000 0.861 357 R HN 0.171 nan 8.270 nan 0.000 0.440 358 A N 0.660 123.427 122.820 -0.088 0.000 1.933 358 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 358 A C 1.975 179.515 177.584 -0.073 0.000 1.175 358 A CA 1.159 53.158 52.037 -0.063 0.000 0.628 358 A CB -0.666 18.328 19.000 -0.010 0.000 0.814 358 A HN 0.458 nan 8.150 nan 0.000 0.444 359 Y N 0.715 120.897 120.300 -0.197 0.000 2.114 359 Y HA -0.190 4.360 4.550 0.000 0.000 0.284 359 Y C 1.906 177.598 175.900 -0.347 0.000 1.143 359 Y CA 1.990 59.945 58.100 -0.242 0.000 1.135 359 Y CB -0.405 37.915 38.460 -0.232 0.000 0.980 359 Y HN 0.215 nan 8.280 nan 0.000 0.499 360 L N -0.144 120.692 121.223 -0.644 0.000 2.046 360 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 360 L C 2.824 179.479 176.870 -0.359 0.000 1.077 360 L CA 1.114 55.564 54.840 -0.649 0.000 0.747 360 L CB -1.113 40.532 42.059 -0.689 0.000 0.896 360 L HN 0.337 nan 8.230 nan 0.000 0.432 361 A N 0.415 123.073 122.820 -0.270 0.000 1.908 361 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 361 A C 2.571 180.046 177.584 -0.182 0.000 1.181 361 A CA 2.112 54.044 52.037 -0.174 0.000 0.627 361 A CB -0.765 18.158 19.000 -0.128 0.000 0.818 361 A HN 0.529 nan 8.150 nan 0.000 0.445 362 S N 0.045 115.614 115.700 -0.218 0.000 2.382 362 S HA -0.123 4.347 4.470 -0.000 0.000 0.228 362 S C 1.914 176.381 174.600 -0.222 0.000 1.027 362 S CA 1.498 59.585 58.200 -0.187 0.000 0.991 362 S CB -0.745 62.360 63.200 -0.159 0.000 0.823 362 S HN 0.465 nan 8.310 nan 0.000 0.469 363 L N 1.019 122.025 121.223 -0.361 0.000 2.027 363 L HA -0.059 4.281 4.340 -0.000 0.000 0.206 363 L C 2.991 179.763 176.870 -0.164 0.000 1.074 363 L CA 1.817 56.453 54.840 -0.339 0.000 0.745 363 L CB -0.652 40.983 42.059 -0.707 0.000 0.898 363 L HN 0.389 nan 8.230 nan 0.000 0.433 364 E N -0.039 120.057 120.200 -0.173 0.000 2.106 364 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 364 E C 1.298 177.832 176.600 -0.109 0.000 0.984 364 E CA 1.125 57.443 56.400 -0.137 0.000 0.806 364 E CB 0.018 29.646 29.700 -0.120 0.000 0.750 364 E HN 0.432 nan 8.360 nan 0.000 0.458 365 D N 0.725 121.063 120.400 -0.104 0.000 2.349 365 D HA 0.002 4.642 4.640 -0.000 0.000 0.224 365 D C -0.116 176.144 176.300 -0.068 0.000 1.029 365 D CA 0.355 54.305 54.000 -0.083 0.000 0.879 365 D CB 0.088 40.841 40.800 -0.077 0.000 0.906 365 D HN 0.053 nan 8.370 nan 0.000 0.528 366 K N 1.020 121.381 120.400 -0.065 0.000 2.524 366 K HA -0.012 4.308 4.320 -0.000 0.000 0.279 366 K C 1.109 177.681 176.600 -0.048 0.000 0.993 366 K CA 0.308 56.566 56.287 -0.048 0.000 1.030 366 K CB 0.828 33.307 32.500 -0.035 0.000 0.891 366 K HN -0.060 nan 8.250 nan 0.000 0.488 367 Q N 1.446 121.223 119.800 -0.039 0.000 2.350 367 Q HA 0.016 4.356 4.340 -0.000 0.000 0.225 367 Q C 0.117 176.098 176.000 -0.031 0.000 0.878 367 Q CA 0.788 56.568 55.803 -0.037 0.000 0.935 367 Q CB 0.740 29.459 28.738 -0.032 0.000 1.099 367 Q HN 0.784 nan 8.270 nan 0.000 0.527 368 E N -1.580 118.604 120.200 -0.026 0.000 2.430 368 E HA 0.573 4.923 4.350 -0.000 0.000 0.279 368 E C -0.292 176.296 176.600 -0.019 0.000 1.003 368 E CA -0.486 55.901 56.400 -0.022 0.000 0.801 368 E CB 2.025 31.715 29.700 -0.017 0.000 1.313 368 E HN 0.014 nan 8.360 nan 0.000 0.459 369 G N 0.674 109.464 108.800 -0.017 0.000 2.409 369 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.421 369 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.421 369 G C -2.967 171.922 174.900 -0.018 0.000 1.259 369 G CA -0.614 44.477 45.100 -0.016 0.000 1.011 369 G HN 0.519 nan 8.290 nan 0.000 0.497 370 P HA 0.397 nan 4.420 nan 0.000 0.267 370 P C 0.104 177.384 177.300 -0.032 0.000 1.209 370 P CA -0.313 62.773 63.100 -0.023 0.000 0.763 370 P CB 0.718 32.405 31.700 -0.022 0.000 0.816 371 L N 4.594 125.794 121.223 -0.038 0.000 2.455 371 L HA 0.104 4.444 4.340 -0.000 0.000 0.272 371 L C 0.157 176.978 176.870 -0.081 0.000 1.174 371 L CA 0.855 55.663 54.840 -0.054 0.000 0.869 371 L CB -0.146 41.884 42.059 -0.048 0.000 1.130 371 L HN 0.395 nan 8.230 nan 0.000 0.474 372 Q N 3.109 122.837 119.800 -0.120 0.000 2.378 372 Q HA 0.573 4.913 4.340 -0.000 0.000 0.276 372 Q C 0.898 176.734 176.000 -0.273 0.000 1.083 372 Q CA -0.304 55.353 55.803 -0.243 0.000 0.856 372 Q CB 1.501 30.028 28.738 -0.351 0.000 1.383 372 Q HN 0.782 nan 8.270 nan 0.000 0.458 373 A N 0.325 122.918 122.820 -0.378 0.000 1.948 373 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 373 A C 1.460 178.935 177.584 -0.182 0.000 1.177 373 A CA 1.801 53.762 52.037 -0.127 0.000 0.636 373 A CB -0.805 18.093 19.000 -0.170 0.000 0.815 373 A HN 0.760 nan 8.150 nan 0.000 0.449 374 Y N -0.047 120.158 120.300 -0.158 0.000 2.165 374 Y HA -0.200 4.350 4.550 -0.000 0.000 0.286 374 Y C 2.577 178.234 175.900 -0.405 0.000 1.155 374 Y CA 1.550 59.361 58.100 -0.481 0.000 1.164 374 Y CB -1.074 37.130 38.460 -0.428 0.000 0.978 374 Y HN 0.374 nan 8.280 nan 0.000 0.513 375 Q N -0.190 119.542 119.800 -0.113 0.000 2.187 375 Q HA -0.048 4.292 4.340 -0.000 0.000 0.199 375 Q C 2.374 178.255 176.000 -0.198 0.000 0.957 375 Q CA 1.168 56.884 55.803 -0.144 0.000 0.857 375 Q CB -0.577 28.098 28.738 -0.106 0.000 0.929 375 Q HN 0.340 nan 8.270 nan 0.000 0.453 376 V N 0.765 120.587 119.914 -0.153 0.000 2.282 376 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 376 V C 2.065 178.064 176.094 -0.159 0.000 1.057 376 V CA 1.730 63.929 62.300 -0.168 0.000 1.032 376 V CB -0.666 31.090 31.823 -0.112 0.000 0.645 376 V HN 0.324 nan 8.190 nan 0.000 0.447 377 L N -0.388 120.808 121.223 -0.046 0.000 2.056 377 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 377 L C 2.811 179.584 176.870 -0.162 0.000 1.078 377 L CA 1.551 56.355 54.840 -0.060 0.000 0.749 377 L CB -0.696 41.338 42.059 -0.041 0.000 0.901 377 L HN 0.250 nan 8.230 nan 0.000 0.433 378 R N 0.857 121.233 120.500 -0.206 0.000 2.103 378 R HA -0.213 4.127 4.340 -0.000 0.000 0.242 378 R C 2.112 178.257 176.300 -0.258 0.000 1.142 378 R CA 1.856 57.840 56.100 -0.193 0.000 0.960 378 R CB -0.326 29.867 30.300 -0.177 0.000 0.858 378 R HN 0.374 nan 8.270 nan 0.000 0.439 379 A N 0.200 122.761 122.820 -0.431 0.000 1.969 379 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 379 A C 2.417 179.634 177.584 -0.612 0.000 1.169 379 A CA 1.289 52.903 52.037 -0.706 0.000 0.635 379 A CB -0.376 17.794 19.000 -1.382 0.000 0.810 379 A HN 0.197 nan 8.150 nan 0.000 0.445 380 V N 1.093 120.748 119.914 -0.432 0.000 2.261 380 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 380 V C 2.311 178.342 176.094 -0.105 0.000 1.047 380 V CA 2.164 64.381 62.300 -0.139 0.000 1.015 380 V CB -0.991 30.738 31.823 -0.156 0.000 0.642 380 V HN 0.552 nan 8.190 nan 0.000 0.446 381 N N 0.355 118.983 118.700 -0.121 0.000 2.091 381 N HA -0.191 4.549 4.740 -0.000 0.000 0.193 381 N C 1.745 177.246 175.510 -0.014 0.000 1.021 381 N CA 1.318 54.333 53.050 -0.058 0.000 0.862 381 N CB -0.357 38.089 38.487 -0.069 0.000 1.018 381 N HN 0.416 nan 8.380 nan 0.000 0.429 382 K N 0.897 121.269 120.400 -0.046 0.000 2.211 382 K HA 0.002 4.322 4.320 -0.000 0.000 0.203 382 K C 1.915 178.546 176.600 0.051 0.000 1.050 382 K CA 0.558 56.837 56.287 -0.014 0.000 0.945 382 K CB -0.095 32.372 32.500 -0.054 0.000 0.732 382 K HN 0.498 nan 8.250 nan 0.000 0.451 383 I N -2.589 118.051 120.570 0.116 0.000 3.956 383 I HA 0.257 4.427 4.170 -0.000 0.000 0.333 383 I C 0.557 176.833 176.117 0.265 0.000 1.302 383 I CA -0.426 60.992 61.300 0.197 0.000 1.122 383 I CB 0.260 38.430 38.000 0.283 0.000 1.013 383 I HN -0.264 nan 8.210 nan 0.000 0.405 384 A N 2.061 125.036 122.820 0.259 0.000 2.409 384 A HA 0.356 4.676 4.320 -0.000 0.000 0.262 384 A C 0.262 177.971 177.584 0.209 0.000 1.113 384 A CA -0.288 51.950 52.037 0.334 0.000 0.790 384 A CB 0.227 19.384 19.000 0.261 0.000 1.046 384 A HN 0.299 nan 8.150 nan 0.000 0.496 385 E N 2.474 122.788 120.200 0.190 0.000 2.373 385 E HA 0.154 4.504 4.350 -0.000 0.000 0.263 385 E C -1.574 175.091 176.600 0.109 0.000 1.073 385 E CA -1.800 54.665 56.400 0.108 0.000 0.894 385 E CB 0.218 29.956 29.700 0.063 0.000 1.008 385 E HN 0.375 nan 8.360 nan 0.000 0.420 386 P HA -0.123 nan 4.420 nan 0.000 0.221 386 P C 0.222 177.566 177.300 0.074 0.000 1.145 386 P CA 1.200 64.344 63.100 0.073 0.000 0.795 386 P CB 0.211 31.941 31.700 0.050 0.000 0.775 387 D N -1.910 118.523 120.400 0.056 0.000 2.593 387 D HA 0.248 4.888 4.640 -0.000 0.000 0.241 387 D C 0.237 176.541 176.300 0.007 0.000 1.257 387 D CA -0.778 53.240 54.000 0.030 0.000 0.828 387 D CB -0.699 40.104 40.800 0.005 0.000 1.049 387 D HN -0.040 nan 8.370 nan 0.000 0.490 388 A N 0.595 123.441 122.820 0.043 0.000 2.520 388 A HA 0.373 4.693 4.320 -0.000 0.000 0.235 388 A C 0.233 177.741 177.584 -0.126 0.000 1.065 388 A CA 0.037 52.047 52.037 -0.045 0.000 0.764 388 A CB 0.112 19.117 19.000 0.009 0.000 1.002 388 A HN 0.410 nan 8.150 nan 0.000 0.502 389 I N 1.152 121.598 120.570 -0.205 0.000 2.404 389 I HA 0.329 4.499 4.170 -0.000 0.000 0.293 389 I C -1.283 174.738 176.117 -0.161 0.000 0.992 389 I CA -0.304 60.929 61.300 -0.111 0.000 1.149 389 I CB 1.476 39.413 38.000 -0.103 0.000 1.315 389 I HN 0.598 nan 8.210 nan 0.000 0.446 390 Y N 3.972 124.394 120.300 0.203 0.000 2.334 390 Y HA 0.339 4.889 4.550 0.000 0.000 0.336 390 Y C 0.456 176.466 175.900 0.184 0.000 0.960 390 Y CA -0.604 57.636 58.100 0.232 0.000 1.164 390 Y CB 1.895 40.466 38.460 0.184 0.000 1.155 390 Y HN 0.426 nan 8.280 nan 0.000 0.478 391 S N 5.189 121.053 115.700 0.274 0.000 2.438 391 S HA 0.661 5.131 4.470 -0.000 0.000 0.293 391 S C -0.698 174.025 174.600 0.204 0.000 1.141 391 S CA -0.421 57.896 58.200 0.195 0.000 1.080 391 S CB -0.218 63.060 63.200 0.129 0.000 0.978 391 S HN 0.574 nan 8.310 nan 0.000 0.479 392 I N 4.133 124.812 120.570 0.180 0.000 2.474 392 I HA 0.366 4.536 4.170 -0.000 0.000 0.294 392 I C 0.637 176.809 176.117 0.091 0.000 1.005 392 I CA -0.859 60.532 61.300 0.152 0.000 1.113 392 I CB 1.682 39.796 38.000 0.190 0.000 1.289 392 I HN 0.603 nan 8.210 nan 0.000 0.436 393 D N 3.669 124.099 120.400 0.050 0.000 2.376 393 D HA 0.358 4.998 4.640 -0.000 0.000 0.281 393 D C -0.889 175.388 176.300 -0.038 0.000 1.215 393 D CA 0.016 54.022 54.000 0.011 0.000 1.062 393 D CB 1.563 42.368 40.800 0.007 0.000 1.124 393 D HN 0.094 nan 8.370 nan 0.000 0.550 394 V N -0.306 119.560 119.914 -0.081 0.000 2.487 394 V HA 0.676 4.796 4.120 -0.000 0.000 0.298 394 V C 0.708 176.648 176.094 -0.256 0.000 1.028 394 V CA 0.267 62.461 62.300 -0.177 0.000 0.860 394 V CB 0.875 32.614 31.823 -0.140 0.000 0.991 394 V HN 0.897 nan 8.190 nan 0.000 0.427 395 G N 3.730 112.228 108.800 -0.504 0.000 2.291 395 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.249 395 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.249 395 G C -0.059 174.532 174.900 -0.516 0.000 1.340 395 G CA 0.036 44.835 45.100 -0.503 0.000 1.017 395 G HN 0.431 nan 8.290 nan 0.000 0.470 396 D N -0.402 119.990 120.400 -0.014 0.000 2.190 396 D HA -0.104 4.536 4.640 -0.000 0.000 0.200 396 D C 2.358 178.584 176.300 -0.123 0.000 0.992 396 D CA 1.354 55.423 54.000 0.114 0.000 0.854 396 D CB -0.009 40.875 40.800 0.140 0.000 0.936 396 D HN 0.309 nan 8.370 nan 0.000 0.462 397 I N 1.238 121.651 120.570 -0.261 0.000 2.361 397 I HA -0.264 3.906 4.170 -0.000 0.000 0.251 397 I C 1.329 177.285 176.117 -0.269 0.000 1.133 397 I CA 1.341 62.423 61.300 -0.364 0.000 1.413 397 I CB -0.314 37.448 38.000 -0.397 0.000 1.073 397 I HN -0.033 nan 8.210 nan 0.000 0.424 398 N N 0.171 118.686 118.700 -0.308 0.000 2.120 398 N HA -0.203 4.537 4.740 -0.000 0.000 0.188 398 N C 1.921 177.175 175.510 -0.426 0.000 1.024 398 N CA 1.691 54.514 53.050 -0.379 0.000 0.852 398 N CB -0.368 37.812 38.487 -0.510 0.000 1.003 398 N HN 0.454 nan 8.380 nan 0.000 0.424 399 L N 0.675 121.748 121.223 -0.249 0.000 2.023 399 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 399 L C 1.596 178.456 176.870 -0.016 0.000 1.073 399 L CA 1.316 56.123 54.840 -0.056 0.000 0.745 399 L CB -0.213 41.981 42.059 0.226 0.000 0.900 399 L HN 0.159 nan 8.230 nan 0.000 0.435 400 N N 0.672 119.376 118.700 0.006 0.000 2.084 400 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 400 N C 1.841 177.395 175.510 0.074 0.000 1.030 400 N CA 1.642 54.755 53.050 0.105 0.000 0.849 400 N CB -0.486 38.025 38.487 0.039 0.000 1.012 400 N HN 0.511 nan 8.380 nan 0.000 0.423 401 A N 1.184 123.964 122.820 -0.066 0.000 1.902 401 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 401 A C 2.152 179.692 177.584 -0.073 0.000 1.181 401 A CA 1.792 53.780 52.037 -0.082 0.000 0.623 401 A CB -0.845 18.093 19.000 -0.103 0.000 0.818 401 A HN 0.369 nan 8.150 nan 0.000 0.443 402 N N -0.277 118.387 118.700 -0.060 0.000 2.104 402 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 402 N C 1.850 177.362 175.510 0.003 0.000 1.024 402 N CA 1.968 55.019 53.050 0.002 0.000 0.853 402 N CB -0.255 38.190 38.487 -0.070 0.000 1.008 402 N HN 0.539 nan 8.380 nan 0.000 0.424 403 R N -1.485 118.982 120.500 -0.055 0.000 2.075 403 R HA 0.022 4.362 4.340 -0.000 0.000 0.226 403 R C 1.683 177.781 176.300 -0.337 0.000 1.114 403 R CA 1.179 57.170 56.100 -0.181 0.000 0.972 403 R CB -0.226 29.883 30.300 -0.319 0.000 0.869 403 R HN 0.491 nan 8.270 nan 0.000 0.437 404 H N -0.013 119.020 119.070 -0.061 0.000 2.516 404 H HA 0.180 4.736 4.556 0.000 0.000 0.284 404 H C 0.659 175.911 175.328 -0.127 0.000 0.999 404 H CA 0.023 56.013 56.048 -0.097 0.000 1.303 404 H CB 0.234 29.951 29.762 -0.075 0.000 1.452 404 H HN 0.007 nan 8.280 nan 0.000 0.530 405 L N 2.511 123.687 121.223 -0.078 0.000 2.540 405 L HA -0.017 4.323 4.340 -0.000 0.000 0.276 405 L C 0.305 177.085 176.870 -0.151 0.000 1.212 405 L CA 0.550 55.262 54.840 -0.213 0.000 0.893 405 L CB 0.381 42.167 42.059 -0.455 0.000 1.138 405 L HN -0.080 nan 8.230 nan 0.000 0.491 406 K N 5.678 126.007 120.400 -0.118 0.000 2.296 406 K HA 0.467 4.787 4.320 -0.000 0.000 0.257 406 K C -0.771 175.799 176.600 -0.050 0.000 1.088 406 K CA -0.175 56.075 56.287 -0.060 0.000 0.980 406 K CB 0.606 33.088 32.500 -0.030 0.000 1.430 406 K HN 0.437 nan 8.250 nan 0.000 0.441 407 L N 1.548 122.732 121.223 -0.065 0.000 2.352 407 L HA 0.530 4.870 4.340 -0.000 0.000 0.269 407 L C 0.623 177.487 176.870 -0.011 0.000 1.034 407 L CA -0.724 54.095 54.840 -0.035 0.000 0.806 407 L CB 1.712 43.725 42.059 -0.076 0.000 1.244 407 L HN 0.567 nan 8.230 nan 0.000 0.447 408 T N -2.927 111.639 114.554 0.019 0.000 2.865 408 T HA 0.400 4.750 4.350 -0.000 0.000 0.294 408 T C -2.395 172.319 174.700 0.023 0.000 1.119 408 T CA -1.833 60.274 62.100 0.012 0.000 1.007 408 T CB 1.850 70.731 68.868 0.021 0.000 1.225 408 T HN 0.212 nan 8.240 nan 0.000 0.515 409 P HA -0.091 nan 4.420 nan 0.000 0.219 409 P C 1.364 178.679 177.300 0.024 0.000 1.145 409 P CA 1.092 64.199 63.100 0.012 0.000 0.813 409 P CB -0.100 31.596 31.700 -0.007 0.000 0.771 410 S N -1.875 113.842 115.700 0.028 0.000 2.522 410 S HA 0.006 4.476 4.470 -0.000 0.000 0.227 410 S C 0.803 175.424 174.600 0.034 0.000 0.986 410 S CA 0.367 58.583 58.200 0.027 0.000 0.929 410 S CB -0.736 62.482 63.200 0.029 0.000 0.769 410 S HN 0.349 nan 8.310 nan 0.000 0.529 411 N N 1.094 119.837 118.700 0.071 0.000 2.463 411 N HA 0.375 5.115 4.740 -0.000 0.000 0.270 411 N C -0.200 175.374 175.510 0.107 0.000 1.205 411 N CA -0.408 52.714 53.050 0.120 0.000 0.974 411 N CB 0.579 39.199 38.487 0.222 0.000 1.197 411 N HN -0.056 nan 8.380 nan 0.000 0.504 412 R N 0.621 121.193 120.500 0.121 0.000 2.686 412 R HA 0.381 4.721 4.340 -0.000 0.000 0.286 412 R C -1.104 175.368 176.300 0.287 0.000 0.969 412 R CA -0.802 55.371 56.100 0.122 0.000 0.898 412 R CB 1.173 31.464 30.300 -0.015 0.000 1.183 412 R HN 0.899 nan 8.270 nan 0.000 0.456 413 H N -0.440 118.700 119.070 0.117 0.000 2.806 413 H HA 0.761 5.317 4.556 -0.000 0.000 0.367 413 H C -0.408 174.958 175.328 0.064 0.000 1.136 413 H CA -1.034 55.100 56.048 0.144 0.000 1.178 413 H CB 1.635 31.474 29.762 0.130 0.000 1.718 413 H HN 0.557 nan 8.280 nan 0.000 0.540 414 I N -0.079 120.513 120.570 0.037 0.000 2.730 414 I HA 0.795 4.965 4.170 -0.000 0.000 0.298 414 I C -0.796 175.346 176.117 0.040 0.000 1.089 414 I CA -0.796 60.478 61.300 -0.044 0.000 1.041 414 I CB 2.527 40.526 38.000 -0.002 0.000 1.235 414 I HN 0.771 nan 8.210 nan 0.000 0.423 415 T N 1.270 115.828 114.554 0.007 0.000 2.647 415 T HA 0.352 4.702 4.350 -0.000 0.000 0.295 415 T C -0.929 173.792 174.700 0.036 0.000 1.126 415 T CA -0.457 61.678 62.100 0.059 0.000 1.040 415 T CB 1.915 70.863 68.868 0.134 0.000 1.472 415 T HN 0.728 nan 8.240 nan 0.000 0.500 416 S N 1.761 117.497 115.700 0.060 0.000 2.681 416 S HA 0.218 4.688 4.470 -0.000 0.000 0.313 416 S C 1.035 175.690 174.600 0.091 0.000 1.137 416 S CA -0.600 57.646 58.200 0.077 0.000 1.045 416 S CB -0.787 62.474 63.200 0.101 0.000 1.208 416 S HN 0.535 nan 8.310 nan 0.000 0.523 417 N N 3.485 122.226 118.700 0.067 0.000 2.120 417 N HA -0.064 4.676 4.740 -0.000 0.000 0.188 417 N C 1.191 176.781 175.510 0.133 0.000 1.024 417 N CA 1.113 54.217 53.050 0.090 0.000 0.852 417 N CB -0.183 38.323 38.487 0.033 0.000 1.003 417 N HN 0.578 nan 8.380 nan 0.000 0.424 418 L N -1.832 119.469 121.223 0.130 0.000 2.641 418 L HA 0.305 4.645 4.340 -0.000 0.000 0.207 418 L C 1.570 178.550 176.870 0.184 0.000 1.049 418 L CA 0.331 55.253 54.840 0.136 0.000 0.866 418 L CB -0.684 41.448 42.059 0.122 0.000 1.264 418 L HN -0.126 nan 8.230 nan 0.000 0.483 419 F N 2.287 122.265 119.950 0.046 0.000 2.171 419 F HA 0.133 4.660 4.527 -0.000 0.000 0.300 419 F C 1.629 177.449 175.800 0.033 0.000 1.090 419 F CA 0.915 58.944 58.000 0.050 0.000 1.293 419 F CB -0.421 38.624 39.000 0.076 0.000 1.013 419 F HN 0.258 nan 8.300 nan 0.000 0.486 420 A N 0.746 123.629 122.820 0.104 0.000 2.687 420 A HA -0.245 4.075 4.320 -0.000 0.000 0.299 420 A C 0.749 178.265 177.584 -0.114 0.000 1.497 420 A CA 0.933 52.965 52.037 -0.009 0.000 0.751 420 A CB -2.600 16.388 19.000 -0.019 0.000 1.048 420 A HN 0.453 nan 8.150 nan 0.000 0.464 421 T N 0.716 115.244 114.554 -0.043 0.000 2.814 421 T HA 0.519 4.869 4.350 -0.000 0.000 0.297 421 T C 0.691 175.369 174.700 -0.036 0.000 0.956 421 T CA -0.099 61.960 62.100 -0.068 0.000 1.123 421 T CB -0.119 68.818 68.868 0.116 0.000 0.902 421 T HN 0.458 nan 8.240 nan 0.000 0.528 422 M N 3.984 123.541 119.600 -0.071 0.000 2.250 422 M HA 0.316 4.796 4.480 -0.000 0.000 0.325 422 M C 1.619 177.902 176.300 -0.027 0.000 1.084 422 M CA 1.411 56.683 55.300 -0.047 0.000 1.161 422 M CB 0.428 32.998 32.600 -0.050 0.000 1.481 422 M HN 1.012 nan 8.290 nan 0.000 0.449 423 G N 0.309 109.100 108.800 -0.016 0.000 2.179 423 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.220 423 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.220 423 G C 0.427 175.316 174.900 -0.017 0.000 0.990 423 G CA 0.234 45.321 45.100 -0.022 0.000 0.646 423 G HN 0.788 nan 8.290 nan 0.000 0.517 424 V N -0.510 119.403 119.914 -0.001 0.000 2.759 424 V HA 0.294 4.414 4.120 -0.000 0.000 0.256 424 V C 2.671 178.773 176.094 0.014 0.000 1.080 424 V CA 2.108 64.412 62.300 0.006 0.000 1.101 424 V CB -1.145 30.693 31.823 0.025 0.000 0.698 424 V HN 0.891 nan 8.190 nan 0.000 0.477 425 G N 1.060 109.874 108.800 0.024 0.000 2.514 425 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 425 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 425 G C 1.508 176.430 174.900 0.037 0.000 1.198 425 G CA 1.505 46.633 45.100 0.047 0.000 0.780 425 G HN 0.519 nan 8.290 nan 0.000 0.565 426 I N 1.921 122.500 120.570 0.016 0.000 2.113 426 I HA -0.122 4.048 4.170 -0.000 0.000 0.238 426 I C 0.146 176.257 176.117 -0.010 0.000 1.070 426 I CA 1.400 62.704 61.300 0.008 0.000 1.332 426 I CB -0.831 37.172 38.000 0.004 0.000 1.044 426 I HN 0.197 nan 8.210 nan 0.000 0.402 427 P HA -0.140 nan 4.420 nan 0.000 0.217 427 P C 1.602 178.863 177.300 -0.064 0.000 1.150 427 P CA 2.027 65.075 63.100 -0.087 0.000 0.832 427 P CB -0.325 31.298 31.700 -0.129 0.000 0.787 428 G N 0.352 109.141 108.800 -0.019 0.000 2.432 428 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 428 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 428 G C 1.747 176.674 174.900 0.045 0.000 1.135 428 G CA 0.975 46.086 45.100 0.018 0.000 0.767 428 G HN 0.388 nan 8.290 nan 0.000 0.550 429 A N 0.325 123.170 122.820 0.041 0.000 1.970 429 A HA 0.254 4.574 4.320 -0.000 0.000 0.216 429 A C 2.332 179.935 177.584 0.032 0.000 1.170 429 A CA 0.679 52.744 52.037 0.047 0.000 0.645 429 A CB -0.195 18.833 19.000 0.046 0.000 0.816 429 A HN 0.344 nan 8.150 nan 0.000 0.447 430 I N -0.080 120.500 120.570 0.016 0.000 2.142 430 I HA -0.302 3.868 4.170 -0.000 0.000 0.240 430 I C 2.993 179.125 176.117 0.025 0.000 1.078 430 I CA 1.204 62.512 61.300 0.012 0.000 1.343 430 I CB -0.273 37.725 38.000 -0.003 0.000 1.046 430 I HN 0.355 nan 8.210 nan 0.000 0.405 431 A N 0.577 123.424 122.820 0.045 0.000 1.902 431 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 431 A C 2.529 180.188 177.584 0.125 0.000 1.181 431 A CA 1.888 53.996 52.037 0.118 0.000 0.623 431 A CB -0.927 18.148 19.000 0.125 0.000 0.818 431 A HN 0.450 nan 8.150 nan 0.000 0.443 432 A N -0.193 122.706 122.820 0.131 0.000 1.883 432 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 432 A C 2.097 179.799 177.584 0.196 0.000 1.186 432 A CA 2.494 54.654 52.037 0.205 0.000 0.624 432 A CB -0.414 18.669 19.000 0.137 0.000 0.822 432 A HN 0.430 nan 8.150 nan 0.000 0.444 433 K N -0.174 120.277 120.400 0.086 0.000 2.155 433 K HA 0.126 4.446 4.320 -0.000 0.000 0.203 433 K C 1.693 178.295 176.600 0.004 0.000 1.052 433 K CA 0.967 57.284 56.287 0.049 0.000 0.948 433 K CB -0.528 31.981 32.500 0.014 0.000 0.728 433 K HN 0.470 nan 8.250 nan 0.000 0.448 434 L N 0.615 121.803 121.223 -0.059 0.000 2.093 434 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 434 L C 1.792 178.585 176.870 -0.128 0.000 1.085 434 L CA 1.165 55.893 54.840 -0.187 0.000 0.755 434 L CB -0.385 41.378 42.059 -0.493 0.000 0.904 434 L HN 0.249 nan 8.230 nan 0.000 0.435 435 N N -0.984 117.671 118.700 -0.076 0.000 2.376 435 N HA -0.071 4.669 4.740 -0.000 0.000 0.177 435 N C -0.227 174.957 175.510 -0.543 0.000 1.024 435 N CA 0.936 53.822 53.050 -0.273 0.000 0.893 435 N CB 0.306 38.580 38.487 -0.355 0.000 0.980 435 N HN 0.317 nan 8.380 nan 0.000 0.439 436 Y N -0.115 120.201 120.300 0.028 0.000 2.535 436 Y HA 0.320 4.870 4.550 -0.000 0.000 0.351 436 Y C -1.824 174.073 175.900 -0.006 0.000 1.050 436 Y CA -1.690 56.419 58.100 0.016 0.000 1.168 436 Y CB 1.390 39.861 38.460 0.018 0.000 1.116 436 Y HN -0.043 nan 8.280 nan 0.000 0.654 437 P HA -0.145 nan 4.420 nan 0.000 0.220 437 P C 0.663 177.983 177.300 0.033 0.000 1.148 437 P CA 1.389 64.511 63.100 0.036 0.000 0.803 437 P CB 0.582 32.287 31.700 0.008 0.000 0.782 438 E N -1.144 119.089 120.200 0.054 0.000 2.479 438 E HA 0.098 4.448 4.350 -0.000 0.000 0.193 438 E C 0.640 177.258 176.600 0.031 0.000 1.049 438 E CA 0.104 56.525 56.400 0.034 0.000 0.870 438 E CB -0.036 29.688 29.700 0.039 0.000 0.944 438 E HN 0.230 nan 8.360 nan 0.000 0.492 439 R N 0.660 121.190 120.500 0.051 0.000 2.540 439 R HA 0.277 4.617 4.340 -0.000 0.000 0.287 439 R C -0.066 176.205 176.300 -0.049 0.000 0.980 439 R CA -0.626 55.477 56.100 0.005 0.000 0.966 439 R CB 1.225 31.520 30.300 -0.008 0.000 1.106 439 R HN 0.122 nan 8.270 nan 0.000 0.480 440 Q N 1.728 121.474 119.800 -0.090 0.000 2.337 440 Q HA 0.174 4.514 4.340 -0.000 0.000 0.270 440 Q C -1.108 174.746 176.000 -0.244 0.000 1.002 440 Q CA 0.157 55.846 55.803 -0.190 0.000 0.888 440 Q CB 0.910 29.542 28.738 -0.176 0.000 1.222 440 Q HN 0.289 nan 8.270 nan 0.000 0.400 441 V N 5.364 125.072 119.914 -0.342 0.000 2.577 441 V HA 0.424 4.544 4.120 -0.000 0.000 0.303 441 V C -1.012 174.842 176.094 -0.400 0.000 1.042 441 V CA -0.628 61.515 62.300 -0.261 0.000 0.872 441 V CB 1.270 33.031 31.823 -0.103 0.000 0.998 441 V HN 0.633 nan 8.190 nan 0.000 0.423 442 F N 2.806 122.672 119.950 -0.139 0.000 2.450 442 F HA 0.546 5.073 4.527 -0.000 0.000 0.332 442 F C 0.376 176.212 175.800 0.061 0.000 1.093 442 F CA -0.550 57.440 58.000 -0.016 0.000 1.003 442 F CB 1.655 40.681 39.000 0.044 0.000 1.151 442 F HN 0.512 nan 8.300 nan 0.000 0.474 443 N N 3.614 122.472 118.700 0.264 0.000 2.476 443 N HA 0.401 5.141 4.740 -0.000 0.000 0.257 443 N C -1.809 173.856 175.510 0.260 0.000 0.970 443 N CA -0.315 52.859 53.050 0.208 0.000 0.938 443 N CB 0.576 39.129 38.487 0.111 0.000 1.144 443 N HN 0.580 nan 8.380 nan 0.000 0.500 444 L N 2.499 123.890 121.223 0.279 0.000 2.280 444 L HA 0.840 5.180 4.340 -0.000 0.000 0.287 444 L C -0.222 176.767 176.870 0.198 0.000 1.023 444 L CA -0.848 54.182 54.840 0.317 0.000 0.819 444 L CB 1.192 43.421 42.059 0.283 0.000 1.212 444 L HN 0.642 nan 8.230 nan 0.000 0.420 445 A N 2.319 125.287 122.820 0.246 0.000 2.520 445 A HA 0.773 5.093 4.320 -0.000 0.000 0.298 445 A C -0.119 177.569 177.584 0.173 0.000 1.051 445 A CA -0.330 51.778 52.037 0.118 0.000 0.690 445 A CB 1.489 20.512 19.000 0.040 0.000 1.281 445 A HN 0.690 nan 8.150 nan 0.000 0.402 446 G N 0.271 109.120 108.800 0.082 0.000 2.636 446 G HA2 0.376 4.336 3.960 -0.000 0.000 0.246 446 G HA3 0.376 4.336 3.960 -0.000 0.000 0.246 446 G C 0.460 175.413 174.900 0.088 0.000 1.216 446 G CA 0.439 45.612 45.100 0.122 0.000 0.854 446 G HN 0.859 nan 8.290 nan 0.000 0.572 447 D N -0.128 120.353 120.400 0.135 0.000 2.144 447 D HA -0.084 4.556 4.640 -0.000 0.000 0.200 447 D C 2.197 178.631 176.300 0.225 0.000 0.978 447 D CA 1.363 55.458 54.000 0.158 0.000 0.833 447 D CB -0.922 40.053 40.800 0.291 0.000 0.961 447 D HN 0.468 nan 8.370 nan 0.000 0.470 448 G N 0.517 109.483 108.800 0.277 0.000 2.421 448 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.216 448 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.216 448 G C 1.738 176.774 174.900 0.226 0.000 1.171 448 G CA 1.003 46.295 45.100 0.320 0.000 0.775 448 G HN 0.489 nan 8.290 nan 0.000 0.543 449 G N 0.982 109.878 108.800 0.160 0.000 2.402 449 G HA2 0.094 4.054 3.960 -0.000 0.000 0.216 449 G HA3 0.094 4.054 3.960 -0.000 0.000 0.216 449 G C 2.070 176.997 174.900 0.046 0.000 1.162 449 G CA 1.458 46.601 45.100 0.073 0.000 0.777 449 G HN 0.643 nan 8.290 nan 0.000 0.539 450 A N 0.797 123.624 122.820 0.013 0.000 1.940 450 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 450 A C 2.673 180.360 177.584 0.171 0.000 1.176 450 A CA 2.270 54.281 52.037 -0.043 0.000 0.631 450 A CB -0.601 18.137 19.000 -0.436 0.000 0.814 450 A HN 0.305 nan 8.150 nan 0.000 0.446 451 S N -0.544 115.324 115.700 0.279 0.000 2.382 451 S HA -0.149 4.321 4.470 -0.000 0.000 0.228 451 S C 1.969 176.630 174.600 0.102 0.000 1.027 451 S CA 1.722 60.083 58.200 0.268 0.000 0.991 451 S CB -0.383 62.910 63.200 0.154 0.000 0.823 451 S HN 0.610 nan 8.310 nan 0.000 0.469 452 M N 0.834 120.465 119.600 0.053 0.000 2.213 452 M HA -0.079 4.401 4.480 -0.000 0.000 0.263 452 M C 1.678 177.934 176.300 -0.074 0.000 1.062 452 M CA 1.429 56.715 55.300 -0.022 0.000 1.105 452 M CB -0.540 32.038 32.600 -0.036 0.000 1.385 452 M HN 0.418 nan 8.290 nan 0.000 0.417 453 T N -3.362 111.171 114.554 -0.034 0.000 3.145 453 T HA 0.256 4.606 4.350 -0.000 0.000 0.281 453 T C 1.250 175.955 174.700 0.009 0.000 1.003 453 T CA -0.306 61.758 62.100 -0.060 0.000 0.901 453 T CB -0.371 68.456 68.868 -0.069 0.000 1.112 453 T HN 0.426 nan 8.240 nan 0.000 0.535 454 M N 1.483 121.126 119.600 0.072 0.000 2.144 454 M HA -0.221 4.259 4.480 -0.000 0.000 0.260 454 M C 2.347 178.686 176.300 0.066 0.000 1.067 454 M CA 2.037 57.419 55.300 0.137 0.000 1.095 454 M CB -0.873 31.856 32.600 0.215 0.000 1.365 454 M HN 0.231 nan 8.290 nan 0.000 0.406 455 Q N 1.055 120.873 119.800 0.031 0.000 2.197 455 Q HA -0.225 4.115 4.340 -0.000 0.000 0.207 455 Q C 0.778 176.794 176.000 0.026 0.000 0.984 455 Q CA 2.173 57.989 55.803 0.022 0.000 0.869 455 Q CB -1.244 27.514 28.738 0.033 0.000 0.906 455 Q HN 0.690 nan 8.270 nan 0.000 0.426 456 D N 0.536 120.952 120.400 0.027 0.000 2.336 456 D HA 0.103 4.743 4.640 -0.000 0.000 0.229 456 D C 1.765 178.082 176.300 0.028 0.000 1.061 456 D CA -0.006 54.011 54.000 0.028 0.000 0.875 456 D CB 0.195 41.005 40.800 0.016 0.000 0.904 456 D HN 0.286 nan 8.370 nan 0.000 0.525 457 L N 0.914 122.156 121.223 0.031 0.000 2.127 457 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 457 L C 2.640 179.514 176.870 0.008 0.000 1.089 457 L CA 0.922 55.778 54.840 0.027 0.000 0.757 457 L CB -0.329 41.756 42.059 0.043 0.000 0.899 457 L HN 0.013 nan 8.230 nan 0.000 0.434 458 A N -0.489 122.331 122.820 0.000 0.000 1.972 458 A HA -0.197 4.122 4.320 -0.000 0.000 0.219 458 A C 2.330 179.912 177.584 -0.004 0.000 1.169 458 A CA 2.226 54.253 52.037 -0.015 0.000 0.635 458 A CB -0.787 18.204 19.000 -0.016 0.000 0.810 458 A HN 0.414 nan 8.150 nan 0.000 0.446 459 T N 0.196 114.775 114.554 0.042 0.000 2.821 459 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 459 T C 1.998 176.779 174.700 0.135 0.000 1.046 459 T CA 1.688 63.860 62.100 0.121 0.000 1.139 459 T CB -0.257 68.693 68.868 0.137 0.000 0.871 459 T HN 0.681 nan 8.240 nan 0.000 0.454 460 Q N 0.420 120.257 119.800 0.061 0.000 2.084 460 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 460 Q C 2.594 178.580 176.000 -0.024 0.000 0.978 460 Q CA 1.108 56.934 55.803 0.039 0.000 0.844 460 Q CB -0.506 28.243 28.738 0.019 0.000 0.898 460 Q HN 0.347 nan 8.270 nan 0.000 0.426 461 V N 1.132 121.005 119.914 -0.067 0.000 2.255 461 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 461 V C 2.353 178.235 176.094 -0.352 0.000 1.051 461 V CA 2.296 64.499 62.300 -0.162 0.000 1.018 461 V CB -0.699 31.068 31.823 -0.093 0.000 0.641 461 V HN 0.409 nan 8.190 nan 0.000 0.445 462 Q N -0.853 118.774 119.800 -0.288 0.000 2.084 462 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 462 Q C 1.772 177.393 176.000 -0.632 0.000 0.978 462 Q CA 2.066 57.586 55.803 -0.473 0.000 0.844 462 Q CB -0.099 28.343 28.738 -0.494 0.000 0.898 462 Q HN 0.776 nan 8.270 nan 0.000 0.426 463 Y N -0.712 119.509 120.300 -0.132 0.000 2.493 463 Y HA 0.158 4.708 4.550 -0.000 0.000 0.275 463 Y C -0.557 175.375 175.900 0.052 0.000 1.183 463 Y CA 0.170 58.258 58.100 -0.021 0.000 1.258 463 Y CB -0.025 38.417 38.460 -0.030 0.000 1.108 463 Y HN 0.223 nan 8.280 nan 0.000 0.521 464 H N -0.641 118.460 119.070 0.052 0.000 2.672 464 H HA -0.163 4.393 4.556 -0.000 0.000 0.325 464 H C -0.945 174.413 175.328 0.049 0.000 1.158 464 H CA 0.276 56.349 56.048 0.041 0.000 1.134 464 H CB -1.982 27.796 29.762 0.028 0.000 1.553 464 H HN 0.290 nan 8.280 nan 0.000 0.419 465 L N 1.369 122.648 121.223 0.094 0.000 2.272 465 L HA 0.311 4.651 4.340 -0.000 0.000 0.284 465 L C -1.840 175.047 176.870 0.028 0.000 1.045 465 L CA -1.944 52.934 54.840 0.062 0.000 0.842 465 L CB 1.137 43.227 42.059 0.053 0.000 1.224 465 L HN -0.021 nan 8.230 nan 0.000 0.430 466 P HA 0.025 nan 4.420 nan 0.000 0.231 466 P C -0.110 177.150 177.300 -0.067 0.000 1.756 466 P CA 0.088 63.176 63.100 -0.019 0.000 0.990 466 P CB -0.111 31.570 31.700 -0.032 0.000 1.973 467 V N 2.255 122.137 119.914 -0.054 0.000 2.614 467 V HA 0.085 4.205 4.120 -0.000 0.000 0.291 467 V C 0.995 177.028 176.094 -0.102 0.000 1.049 467 V CA -0.177 62.073 62.300 -0.083 0.000 1.038 467 V CB 0.754 32.558 31.823 -0.030 0.000 0.980 467 V HN 0.238 nan 8.190 nan 0.000 0.481 468 I N 5.522 125.980 120.570 -0.187 0.000 2.281 468 I HA 0.214 4.384 4.170 -0.000 0.000 0.293 468 I C 0.330 176.461 176.117 0.023 0.000 1.085 468 I CA -0.021 61.200 61.300 -0.133 0.000 1.257 468 I CB -0.058 37.764 38.000 -0.296 0.000 1.430 468 I HN 0.603 nan 8.210 nan 0.000 0.489 469 N N 6.517 125.233 118.700 0.026 0.000 2.444 469 N HA 0.284 5.024 4.740 -0.000 0.000 0.271 469 N C -0.736 174.801 175.510 0.045 0.000 1.069 469 N CA -0.193 52.888 53.050 0.052 0.000 0.965 469 N CB 2.476 40.972 38.487 0.016 0.000 1.092 469 N HN 0.200 nan 8.380 nan 0.000 0.476 470 V N 2.917 122.889 119.914 0.097 0.000 2.376 470 V HA 0.251 4.371 4.120 -0.000 0.000 0.287 470 V C 0.129 176.214 176.094 -0.015 0.000 1.015 470 V CA -0.835 61.478 62.300 0.021 0.000 0.834 470 V CB 1.720 33.622 31.823 0.132 0.000 1.001 470 V HN 0.282 nan 8.190 nan 0.000 0.428 471 V N 5.134 124.951 119.914 -0.162 0.000 2.439 471 V HA 0.459 4.579 4.120 -0.000 0.000 0.282 471 V C -0.451 175.523 176.094 -0.199 0.000 1.039 471 V CA -0.373 61.826 62.300 -0.168 0.000 0.913 471 V CB 1.339 32.898 31.823 -0.440 0.000 0.983 471 V HN 0.672 nan 8.190 nan 0.000 0.460 472 F N 2.170 122.083 119.950 -0.061 0.000 2.309 472 F HA 0.334 4.861 4.527 0.000 0.000 0.366 472 F C 1.007 176.798 175.800 -0.014 0.000 1.104 472 F CA -0.374 57.610 58.000 -0.027 0.000 1.179 472 F CB 0.805 39.790 39.000 -0.024 0.000 1.437 472 F HN 0.351 nan 8.300 nan 0.000 0.528 473 T N 3.074 117.677 114.554 0.082 0.000 2.794 473 T HA 0.089 4.439 4.350 -0.000 0.000 0.304 473 T C 1.011 175.739 174.700 0.047 0.000 0.973 473 T CA -0.416 61.739 62.100 0.092 0.000 0.972 473 T CB -0.049 68.883 68.868 0.106 0.000 0.952 473 T HN 0.511 nan 8.240 nan 0.000 0.509 474 N N 0.422 119.135 118.700 0.022 0.000 2.205 474 N HA 0.033 4.773 4.740 -0.000 0.000 0.201 474 N C 0.510 175.911 175.510 -0.182 0.000 1.128 474 N CA -0.431 52.583 53.050 -0.061 0.000 0.867 474 N CB -0.575 37.881 38.487 -0.051 0.000 0.996 474 N HN 0.562 nan 8.380 nan 0.000 0.503 475 C N 0.612 119.782 119.300 -0.216 0.000 4.365 475 C HA -0.160 4.300 4.460 -0.000 0.000 0.299 475 C C -0.340 173.902 174.990 -1.247 0.000 1.409 475 C CA 0.414 59.111 59.018 -0.535 0.000 2.007 475 C CB -3.029 24.545 27.740 -0.277 0.000 1.264 475 C HN 0.620 nan 8.230 nan 0.000 0.777 476 Q N -2.555 116.583 119.800 -1.103 0.000 2.462 476 Q HA 0.515 4.855 4.340 -0.000 0.000 0.285 476 Q C -1.114 174.648 176.000 -0.396 0.000 1.035 476 Q CA -0.792 54.468 55.803 -0.904 0.000 0.799 476 Q CB 1.295 29.793 28.738 -0.400 0.000 1.452 476 Q HN 0.298 nan 8.270 nan 0.000 0.404 477 Y N 0.941 121.290 120.300 0.082 0.000 2.632 477 Y HA 0.221 4.771 4.550 -0.000 0.000 0.336 477 Y C 1.293 177.255 175.900 0.102 0.000 1.237 477 Y CA -0.211 58.010 58.100 0.202 0.000 1.595 477 Y CB 0.169 38.779 38.460 0.251 0.000 1.508 477 Y HN 0.956 nan 8.280 nan 0.000 0.480 478 G N 2.515 111.435 108.800 0.200 0.000 2.418 478 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 478 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 478 G C 1.630 176.646 174.900 0.193 0.000 1.158 478 G CA 0.155 45.325 45.100 0.117 0.000 0.771 478 G HN 0.772 nan 8.290 nan 0.000 0.545 479 W N 0.909 122.246 121.300 0.063 0.000 2.304 479 W HA -0.195 4.465 4.660 -0.000 0.000 0.315 479 W C 2.022 178.579 176.519 0.064 0.000 1.233 479 W CA 1.276 58.652 57.345 0.052 0.000 1.261 479 W CB -0.035 29.453 29.460 0.047 0.000 1.150 479 W HN 0.139 nan 8.180 nan 0.000 0.494 480 I N 0.539 121.270 120.570 0.269 0.000 2.500 480 I HA -0.195 3.974 4.170 -0.000 0.000 0.252 480 I C 2.259 178.450 176.117 0.124 0.000 1.142 480 I CA 1.284 62.682 61.300 0.162 0.000 1.451 480 I CB -1.599 36.515 38.000 0.190 0.000 1.093 480 I HN 0.004 nan 8.210 nan 0.000 0.430 481 K N 1.333 121.796 120.400 0.105 0.000 2.044 481 K HA -0.233 4.087 4.320 -0.000 0.000 0.210 481 K C 1.588 178.241 176.600 0.088 0.000 1.049 481 K CA 1.992 58.284 56.287 0.008 0.000 0.927 481 K CB 0.043 32.416 32.500 -0.212 0.000 0.713 481 K HN 0.202 nan 8.250 nan 0.000 0.443 482 D N 0.585 120.998 120.400 0.023 0.000 2.144 482 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 482 D C 1.734 178.034 176.300 0.001 0.000 0.984 482 D CA 1.144 55.151 54.000 0.011 0.000 0.834 482 D CB -0.072 40.682 40.800 -0.077 0.000 0.955 482 D HN 0.420 nan 8.370 nan 0.000 0.465 483 E N 0.578 120.752 120.200 -0.044 0.000 2.047 483 E HA -0.149 4.200 4.350 -0.000 0.000 0.191 483 E C 2.190 178.815 176.600 0.042 0.000 0.987 483 E CA 0.669 57.044 56.400 -0.041 0.000 0.799 483 E CB -0.040 29.623 29.700 -0.061 0.000 0.752 483 E HN 0.349 nan 8.360 nan 0.000 0.449 484 Q N 0.577 120.451 119.800 0.123 0.000 2.096 484 Q HA -0.241 4.099 4.340 -0.000 0.000 0.204 484 Q C 2.211 178.277 176.000 0.111 0.000 0.982 484 Q CA 1.322 57.217 55.803 0.153 0.000 0.850 484 Q CB -0.136 28.780 28.738 0.298 0.000 0.901 484 Q HN 0.326 nan 8.270 nan 0.000 0.422 485 E N 0.666 121.011 120.200 0.243 0.000 2.118 485 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 485 E C 1.043 177.669 176.600 0.043 0.000 0.992 485 E CA 1.469 57.958 56.400 0.148 0.000 0.804 485 E CB 0.163 30.025 29.700 0.270 0.000 0.741 485 E HN 0.305 nan 8.360 nan 0.000 0.458 486 D N -0.832 119.592 120.400 0.039 0.000 2.162 486 D HA -0.091 4.549 4.640 -0.000 0.000 0.203 486 D C 2.004 178.301 176.300 -0.005 0.000 0.967 486 D CA 1.956 55.961 54.000 0.009 0.000 0.840 486 D CB -0.069 40.725 40.800 -0.011 0.000 0.972 486 D HN 0.390 nan 8.370 nan 0.000 0.482 487 T N -2.793 111.757 114.554 -0.005 0.000 2.999 487 T HA 0.098 4.448 4.350 -0.000 0.000 0.247 487 T C 0.757 175.446 174.700 -0.019 0.000 1.012 487 T CA -0.395 61.699 62.100 -0.010 0.000 1.048 487 T CB 0.080 68.946 68.868 -0.004 0.000 1.020 487 T HN -0.212 nan 8.240 nan 0.000 0.478 488 N N 2.212 120.896 118.700 -0.027 0.000 2.514 488 N HA 0.320 5.060 4.740 -0.000 0.000 0.277 488 N C 0.909 176.375 175.510 -0.073 0.000 1.126 488 N CA -0.365 52.659 53.050 -0.043 0.000 0.978 488 N CB 1.103 39.567 38.487 -0.039 0.000 1.106 488 N HN 0.186 nan 8.380 nan 0.000 0.461 489 Q N 0.480 120.244 119.800 -0.059 0.000 2.250 489 Q HA 0.151 4.491 4.340 -0.000 0.000 0.200 489 Q C -0.104 175.846 176.000 -0.082 0.000 0.941 489 Q CA 0.895 56.660 55.803 -0.064 0.000 0.872 489 Q CB 0.089 28.802 28.738 -0.041 0.000 0.965 489 Q HN 0.546 nan 8.270 nan 0.000 0.480 490 N N 1.238 119.891 118.700 -0.077 0.000 2.448 490 N HA 0.088 4.828 4.740 -0.000 0.000 0.274 490 N C -0.342 175.085 175.510 -0.137 0.000 1.239 490 N CA -0.365 52.636 53.050 -0.081 0.000 0.982 490 N CB 0.358 38.820 38.487 -0.042 0.000 1.199 490 N HN -0.068 nan 8.380 nan 0.000 0.576 491 D N 0.117 120.448 120.400 -0.113 0.000 2.400 491 D HA 0.096 4.736 4.640 -0.000 0.000 0.238 491 D C 0.111 176.353 176.300 -0.097 0.000 1.157 491 D CA 0.191 54.101 54.000 -0.151 0.000 0.889 491 D CB 0.143 40.919 40.800 -0.040 0.000 1.199 491 D HN 0.158 nan 8.370 nan 0.000 0.436 492 F N 0.969 120.931 119.950 0.019 0.000 2.637 492 F HA 0.020 4.547 4.527 -0.000 0.000 0.372 492 F C 0.993 176.816 175.800 0.039 0.000 1.107 492 F CA 0.498 58.516 58.000 0.029 0.000 1.325 492 F CB -0.154 38.860 39.000 0.023 0.000 1.016 492 F HN 0.124 nan 8.300 nan 0.000 0.593 493 I N 1.404 122.136 120.570 0.271 0.000 2.649 493 I HA 0.487 4.657 4.170 -0.000 0.000 0.289 493 I C 0.286 176.518 176.117 0.192 0.000 1.222 493 I CA -0.017 61.392 61.300 0.183 0.000 1.046 493 I CB 1.636 39.711 38.000 0.124 0.000 1.272 493 I HN 0.693 nan 8.210 nan 0.000 0.425 494 G N 4.299 113.215 108.800 0.193 0.000 2.159 494 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.256 494 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.256 494 G C 0.438 175.559 174.900 0.368 0.000 0.977 494 G CA 0.644 45.896 45.100 0.253 0.000 0.652 494 G HN 1.380 nan 8.290 nan 0.000 0.531 495 V N -3.283 116.783 119.914 0.252 0.000 3.605 495 V HA 0.540 4.660 4.120 -0.000 0.000 0.284 495 V C 0.394 176.431 176.094 -0.095 0.000 1.386 495 V CA 0.777 63.201 62.300 0.206 0.000 1.053 495 V CB 0.321 32.225 31.823 0.135 0.000 0.857 495 V HN 0.380 nan 8.190 nan 0.000 0.436 496 E N 1.447 121.570 120.200 -0.128 0.000 2.234 496 E HA 0.677 5.027 4.350 -0.000 0.000 0.266 496 E C -1.378 175.110 176.600 -0.186 0.000 0.877 496 E CA -0.579 55.614 56.400 -0.345 0.000 0.758 496 E CB 2.430 31.988 29.700 -0.237 0.000 1.170 496 E HN 0.470 nan 8.360 nan 0.000 0.415 497 F N -0.856 119.025 119.950 -0.115 0.000 2.726 497 F HA 0.511 5.038 4.527 -0.000 0.000 0.324 497 F C -0.374 175.383 175.800 -0.072 0.000 1.140 497 F CA -1.637 56.308 58.000 -0.093 0.000 0.964 497 F CB 0.370 39.287 39.000 -0.139 0.000 1.399 497 F HN 0.098 nan 8.300 nan 0.000 0.491 498 N N 0.615 119.478 118.700 0.271 0.000 2.479 498 N HA 0.125 4.865 4.740 -0.000 0.000 0.257 498 N C -1.133 174.503 175.510 0.210 0.000 1.232 498 N CA 0.040 53.184 53.050 0.156 0.000 0.920 498 N CB 0.234 38.776 38.487 0.092 0.000 1.105 498 N HN 0.806 nan 8.380 nan 0.000 0.444 499 D N 0.626 121.091 120.400 0.107 0.000 2.488 499 D HA 0.111 4.751 4.640 -0.000 0.000 0.238 499 D C -0.620 175.717 176.300 0.063 0.000 1.138 499 D CA 0.335 54.392 54.000 0.095 0.000 0.873 499 D CB 0.375 41.202 40.800 0.045 0.000 1.183 499 D HN 0.289 nan 8.370 nan 0.000 0.458 500 I N 2.849 123.460 120.570 0.068 0.000 2.406 500 I HA 0.157 4.327 4.170 -0.000 0.000 0.290 500 I C -0.430 175.664 176.117 -0.039 0.000 0.999 500 I CA -0.906 60.353 61.300 -0.067 0.000 1.124 500 I CB 1.806 39.675 38.000 -0.219 0.000 1.289 500 I HN 0.391 nan 8.210 nan 0.000 0.441 501 D N 5.834 126.182 120.400 -0.087 0.000 2.365 501 D HA 0.128 4.768 4.640 -0.000 0.000 0.237 501 D C 0.506 176.752 176.300 -0.090 0.000 1.190 501 D CA 0.074 54.058 54.000 -0.026 0.000 0.867 501 D CB 0.616 41.399 40.800 -0.028 0.000 1.050 501 D HN 0.313 nan 8.370 nan 0.000 0.491 502 F N 1.516 121.460 119.950 -0.011 0.000 2.558 502 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 502 F C 2.664 178.443 175.800 -0.036 0.000 1.119 502 F CA 0.633 58.622 58.000 -0.018 0.000 1.451 502 F CB 0.116 39.113 39.000 -0.006 0.000 1.091 502 F HN 0.394 nan 8.300 nan 0.000 0.563 503 S N -0.208 115.556 115.700 0.107 0.000 2.402 503 S HA -0.177 4.293 4.470 -0.000 0.000 0.229 503 S C 1.882 176.461 174.600 -0.035 0.000 1.021 503 S CA 0.895 59.105 58.200 0.016 0.000 0.974 503 S CB -0.364 62.832 63.200 -0.006 0.000 0.800 503 S HN 0.374 nan 8.310 nan 0.000 0.484 504 K N 0.506 120.878 120.400 -0.048 0.000 2.076 504 K HA 0.123 4.443 4.320 -0.000 0.000 0.204 504 K C 1.992 178.529 176.600 -0.104 0.000 1.051 504 K CA 0.976 57.217 56.287 -0.077 0.000 0.949 504 K CB -0.284 32.169 32.500 -0.079 0.000 0.726 504 K HN 0.285 nan 8.250 nan 0.000 0.443 505 I N 1.728 122.215 120.570 -0.139 0.000 2.118 505 I HA -0.284 3.886 4.170 -0.000 0.000 0.241 505 I C 2.539 178.605 176.117 -0.086 0.000 1.070 505 I CA 1.588 62.796 61.300 -0.152 0.000 1.327 505 I CB -1.539 36.297 38.000 -0.272 0.000 1.034 505 I HN 0.112 nan 8.210 nan 0.000 0.405 506 A N 0.459 123.264 122.820 -0.025 0.000 1.883 506 A HA -0.293 4.027 4.320 -0.000 0.000 0.217 506 A C 2.153 179.686 177.584 -0.084 0.000 1.186 506 A CA 2.257 54.277 52.037 -0.028 0.000 0.624 506 A CB -0.892 18.108 19.000 -0.001 0.000 0.822 506 A HN 0.456 nan 8.150 nan 0.000 0.444 507 D N -0.410 119.937 120.400 -0.089 0.000 2.133 507 D HA -0.102 4.538 4.640 -0.000 0.000 0.195 507 D C 1.997 178.199 176.300 -0.163 0.000 0.997 507 D CA 1.764 55.709 54.000 -0.091 0.000 0.840 507 D CB -0.635 40.121 40.800 -0.073 0.000 0.947 507 D HN 0.322 nan 8.370 nan 0.000 0.452 508 G N 0.012 108.699 108.800 -0.189 0.000 2.432 508 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.219 508 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.219 508 G C 1.588 176.195 174.900 -0.489 0.000 1.135 508 G CA 1.344 46.279 45.100 -0.277 0.000 0.767 508 G HN 0.420 nan 8.290 nan 0.000 0.550 509 V N -3.403 116.292 119.914 -0.364 0.000 3.649 509 V HA 0.250 4.370 4.120 -0.000 0.000 0.275 509 V C 0.785 176.694 176.094 -0.308 0.000 1.281 509 V CA 0.216 62.318 62.300 -0.331 0.000 1.143 509 V CB -1.097 30.647 31.823 -0.131 0.000 0.892 509 V HN 0.531 nan 8.190 nan 0.000 0.441 510 H N -0.977 118.066 119.070 -0.045 0.000 2.960 510 H HA -0.126 4.430 4.556 -0.000 0.000 0.325 510 H C -0.210 175.086 175.328 -0.054 0.000 1.301 510 H CA 1.194 57.212 56.048 -0.050 0.000 1.190 510 H CB -1.620 28.112 29.762 -0.049 0.000 1.462 510 H HN 0.698 nan 8.280 nan 0.000 0.442 511 M N 0.910 120.510 119.600 0.000 0.000 2.326 511 M HA 0.263 4.743 4.480 -0.000 0.000 0.306 511 M C -0.118 176.149 176.300 -0.055 0.000 1.054 511 M CA -0.565 54.724 55.300 -0.019 0.000 0.922 511 M CB 1.616 34.201 32.600 -0.025 0.000 1.632 511 M HN 0.168 nan 8.290 nan 0.000 0.436 512 Q N 2.358 122.116 119.800 -0.071 0.000 2.361 512 Q HA 0.475 4.815 4.340 -0.000 0.000 0.276 512 Q C -0.791 175.071 176.000 -0.230 0.000 1.022 512 Q CA 0.266 55.971 55.803 -0.164 0.000 0.898 512 Q CB 0.894 29.553 28.738 -0.131 0.000 1.246 512 Q HN 0.717 nan 8.270 nan 0.000 0.410 513 A N 2.459 125.014 122.820 -0.442 0.000 2.612 513 A HA 0.784 5.104 4.320 -0.000 0.000 0.293 513 A C -1.710 175.433 177.584 -0.734 0.000 1.075 513 A CA -0.686 51.121 52.037 -0.384 0.000 0.680 513 A CB 1.157 20.066 19.000 -0.152 0.000 1.279 513 A HN 0.567 nan 8.150 nan 0.000 0.411 514 F N -0.330 119.586 119.950 -0.057 0.000 2.603 514 F HA 0.841 5.368 4.527 -0.000 0.000 0.317 514 F C 0.185 175.957 175.800 -0.046 0.000 1.066 514 F CA -0.633 57.334 58.000 -0.055 0.000 0.941 514 F CB 2.338 41.288 39.000 -0.083 0.000 1.291 514 F HN 0.636 nan 8.300 nan 0.000 0.472 515 R N 1.478 122.075 120.500 0.161 0.000 2.502 515 R HA 0.787 5.127 4.340 -0.000 0.000 0.300 515 R C -2.039 174.307 176.300 0.077 0.000 0.984 515 R CA -0.652 55.501 56.100 0.088 0.000 0.882 515 R CB 1.650 31.985 30.300 0.059 0.000 1.180 515 R HN 0.630 nan 8.270 nan 0.000 0.444 516 V N 1.804 121.745 119.914 0.046 0.000 2.823 516 V HA 0.594 4.714 4.120 -0.000 0.000 0.312 516 V C -0.270 175.830 176.094 0.011 0.000 1.072 516 V CA -0.415 61.904 62.300 0.032 0.000 0.937 516 V CB 1.980 33.824 31.823 0.036 0.000 1.013 516 V HN 1.046 nan 8.190 nan 0.000 0.430 517 N N 0.925 119.629 118.700 0.007 0.000 2.143 517 N HA 0.329 5.069 4.740 -0.000 0.000 0.229 517 N C -0.255 175.249 175.510 -0.011 0.000 1.294 517 N CA -0.809 52.237 53.050 -0.005 0.000 0.883 517 N CB 0.863 39.349 38.487 -0.003 0.000 1.148 517 N HN 0.665 nan 8.380 nan 0.000 0.511 518 K N 0.462 120.858 120.400 -0.006 0.000 2.422 518 K HA 0.392 4.712 4.320 -0.000 0.000 0.251 518 K C 0.348 176.939 176.600 -0.015 0.000 0.933 518 K CA -0.767 55.513 56.287 -0.011 0.000 0.798 518 K CB 2.485 34.981 32.500 -0.007 0.000 1.238 518 K HN -0.082 nan 8.250 nan 0.000 0.428 519 I N 1.898 122.454 120.570 -0.024 0.000 2.208 519 I HA -0.309 3.860 4.170 -0.000 0.000 0.245 519 I C 2.287 178.386 176.117 -0.030 0.000 1.097 519 I CA 1.457 62.737 61.300 -0.034 0.000 1.363 519 I CB -0.149 37.828 38.000 -0.038 0.000 1.051 519 I HN 0.724 nan 8.210 nan 0.000 0.413 520 E N 1.370 121.557 120.200 -0.021 0.000 2.409 520 E HA -0.254 4.096 4.350 -0.000 0.000 0.198 520 E C 1.605 178.199 176.600 -0.010 0.000 1.024 520 E CA 1.030 57.419 56.400 -0.017 0.000 0.861 520 E CB -0.373 29.319 29.700 -0.014 0.000 0.788 520 E HN 0.648 nan 8.360 nan 0.000 0.521 521 Q N 0.316 120.114 119.800 -0.003 0.000 2.389 521 Q HA 0.138 4.478 4.340 -0.000 0.000 0.204 521 Q C 2.352 178.365 176.000 0.021 0.000 0.944 521 Q CA 0.297 56.103 55.803 0.006 0.000 0.908 521 Q CB 0.061 28.806 28.738 0.012 0.000 1.002 521 Q HN 0.290 nan 8.270 nan 0.000 0.493 522 L N 0.674 121.917 121.223 0.033 0.000 1.994 522 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 522 L C -0.664 176.270 176.870 0.107 0.000 1.071 522 L CA 1.277 56.179 54.840 0.103 0.000 0.745 522 L CB -1.617 40.415 42.059 -0.045 0.000 0.892 522 L HN 0.129 nan 8.230 nan 0.000 0.431 523 P HA -0.212 nan 4.420 nan 0.000 0.215 523 P C 1.034 178.353 177.300 0.031 0.000 1.157 523 P CA 1.744 64.851 63.100 0.012 0.000 0.874 523 P CB 0.018 31.709 31.700 -0.015 0.000 0.790 524 D N -1.333 119.064 120.400 -0.004 0.000 2.183 524 D HA -0.100 4.540 4.640 -0.000 0.000 0.203 524 D C 1.761 177.981 176.300 -0.134 0.000 0.969 524 D CA 0.560 54.534 54.000 -0.043 0.000 0.842 524 D CB -0.381 40.396 40.800 -0.039 0.000 0.957 524 D HN -0.167 nan 8.370 nan 0.000 0.484 525 V N -0.173 119.636 119.914 -0.174 0.000 2.358 525 V HA -0.163 3.957 4.120 -0.000 0.000 0.246 525 V C 1.855 177.655 176.094 -0.490 0.000 1.047 525 V CA 1.297 63.292 62.300 -0.507 0.000 1.035 525 V CB -0.550 31.015 31.823 -0.431 0.000 0.658 525 V HN 0.244 nan 8.190 nan 0.000 0.452 526 F N 0.019 119.824 119.950 -0.242 0.000 2.259 526 F HA -0.068 4.459 4.527 -0.000 0.000 0.298 526 F C 2.498 178.246 175.800 -0.088 0.000 1.088 526 F CA 1.180 59.104 58.000 -0.127 0.000 1.358 526 F CB -0.236 38.731 39.000 -0.056 0.000 1.040 526 F HN 0.129 nan 8.300 nan 0.000 0.505 527 E N 0.240 120.479 120.200 0.065 0.000 2.051 527 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 527 E C 2.172 178.757 176.600 -0.024 0.000 0.991 527 E CA 1.112 57.527 56.400 0.024 0.000 0.799 527 E CB -0.588 29.119 29.700 0.013 0.000 0.748 527 E HN 0.532 nan 8.360 nan 0.000 0.449 528 Q N 0.183 119.919 119.800 -0.107 0.000 2.061 528 Q HA -0.132 4.207 4.340 -0.000 0.000 0.204 528 Q C 2.210 178.193 176.000 -0.028 0.000 0.984 528 Q CA 1.546 57.300 55.803 -0.082 0.000 0.846 528 Q CB -0.233 28.391 28.738 -0.189 0.000 0.902 528 Q HN 0.240 nan 8.270 nan 0.000 0.421 529 A N 1.594 124.337 122.820 -0.129 0.000 1.883 529 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 529 A C 2.022 179.597 177.584 -0.016 0.000 1.186 529 A CA 1.828 53.841 52.037 -0.041 0.000 0.624 529 A CB -0.570 18.315 19.000 -0.192 0.000 0.822 529 A HN 0.256 nan 8.150 nan 0.000 0.444 530 K N -0.464 119.935 120.400 -0.001 0.000 2.074 530 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 530 K C 2.145 178.740 176.600 -0.007 0.000 1.048 530 K CA 1.437 57.731 56.287 0.012 0.000 0.926 530 K CB -0.323 32.212 32.500 0.058 0.000 0.713 530 K HN 0.415 nan 8.250 nan 0.000 0.444 531 A N 1.182 124.009 122.820 0.010 0.000 1.854 531 A HA -0.087 4.233 4.320 -0.000 0.000 0.214 531 A C 2.080 179.683 177.584 0.033 0.000 1.192 531 A CA 1.304 53.353 52.037 0.020 0.000 0.611 531 A CB -0.551 18.472 19.000 0.039 0.000 0.832 531 A HN 0.317 nan 8.150 nan 0.000 0.442 532 I N 0.246 120.850 120.570 0.058 0.000 2.145 532 I HA -0.344 3.826 4.170 -0.000 0.000 0.244 532 I C 2.592 178.729 176.117 0.034 0.000 1.075 532 I CA 1.434 62.779 61.300 0.075 0.000 1.332 532 I CB -0.229 37.832 38.000 0.101 0.000 1.033 532 I HN 0.332 nan 8.210 nan 0.000 0.410 533 A N -0.192 122.619 122.820 -0.015 0.000 2.255 533 A HA -0.076 4.244 4.320 -0.000 0.000 0.206 533 A C 1.944 179.456 177.584 -0.119 0.000 1.193 533 A CA 0.497 52.496 52.037 -0.064 0.000 0.794 533 A CB -0.300 18.635 19.000 -0.109 0.000 0.794 533 A HN 0.394 nan 8.150 nan 0.000 0.481 534 Q N -0.743 118.964 119.800 -0.155 0.000 2.297 534 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 534 Q C 0.618 176.246 176.000 -0.621 0.000 0.962 534 Q CA 1.652 57.234 55.803 -0.369 0.000 0.879 534 Q CB -0.180 28.311 28.738 -0.411 0.000 0.947 534 Q HN 0.967 nan 8.270 nan 0.000 0.462 535 H N -1.756 117.317 119.070 0.007 0.000 3.734 535 H HA 0.259 4.815 4.556 -0.000 0.000 0.253 535 H C -0.111 175.241 175.328 0.040 0.000 1.072 535 H CA -0.112 55.946 56.048 0.017 0.000 1.147 535 H CB 1.192 30.962 29.762 0.013 0.000 1.495 535 H HN -0.088 nan 8.280 nan 0.000 0.588 536 E N 0.739 121.012 120.200 0.123 0.000 2.413 536 E HA 0.262 4.612 4.350 -0.000 0.000 0.277 536 E C -2.800 173.824 176.600 0.040 0.000 0.958 536 E CA -2.207 54.253 56.400 0.100 0.000 0.779 536 E CB 2.291 32.056 29.700 0.108 0.000 1.278 536 E HN -0.071 nan 8.360 nan 0.000 0.456 537 P HA 0.161 nan 4.420 nan 0.000 0.270 537 P C -0.460 176.842 177.300 0.002 0.000 1.223 537 P CA -0.219 62.881 63.100 -0.000 0.000 0.785 537 P CB 0.975 32.673 31.700 -0.003 0.000 0.923 538 V N 2.536 122.447 119.914 -0.004 0.000 3.087 538 V HA 0.578 4.698 4.120 -0.000 0.000 0.306 538 V C -1.494 174.605 176.094 0.008 0.000 1.187 538 V CA -1.075 61.231 62.300 0.011 0.000 0.999 538 V CB 2.260 34.117 31.823 0.056 0.000 1.049 538 V HN 0.462 nan 8.190 nan 0.000 0.431 539 L N 5.600 126.831 121.223 0.014 0.000 2.385 539 L HA 0.717 5.057 4.340 -0.000 0.000 0.273 539 L C -1.260 175.632 176.870 0.036 0.000 0.990 539 L CA -0.430 54.418 54.840 0.014 0.000 0.821 539 L CB 1.773 43.848 42.059 0.026 0.000 1.279 539 L HN 0.691 nan 8.230 nan 0.000 0.412 540 I N 3.967 124.519 120.570 -0.030 0.000 2.355 540 I HA 0.268 4.438 4.170 -0.000 0.000 0.288 540 I C -0.904 175.171 176.117 -0.071 0.000 0.999 540 I CA -0.411 60.849 61.300 -0.066 0.000 1.163 540 I CB 1.552 39.356 38.000 -0.326 0.000 1.316 540 I HN 0.518 nan 8.210 nan 0.000 0.454 541 D N 6.534 126.930 120.400 -0.006 0.000 2.380 541 D HA 0.427 5.067 4.640 -0.000 0.000 0.230 541 D C -0.388 175.890 176.300 -0.037 0.000 1.154 541 D CA -0.150 53.848 54.000 -0.004 0.000 0.859 541 D CB 1.305 42.166 40.800 0.101 0.000 1.045 541 D HN 0.553 nan 8.370 nan 0.000 0.495 542 A N 4.258 127.002 122.820 -0.127 0.000 2.280 542 A HA 0.424 4.744 4.320 -0.000 0.000 0.320 542 A C -0.218 177.312 177.584 -0.090 0.000 1.366 542 A CA -0.727 51.227 52.037 -0.138 0.000 0.938 542 A CB 0.581 19.410 19.000 -0.285 0.000 1.157 542 A HN 0.402 nan 8.150 nan 0.000 0.536 543 V N 5.418 125.311 119.914 -0.035 0.000 2.397 543 V HA 0.186 4.306 4.120 -0.000 0.000 0.262 543 V C 0.437 176.513 176.094 -0.030 0.000 1.047 543 V CA 0.408 62.699 62.300 -0.015 0.000 1.003 543 V CB -0.807 31.015 31.823 -0.001 0.000 1.037 543 V HN 0.727 nan 8.190 nan 0.000 0.480 544 I N 2.228 122.783 120.570 -0.026 0.000 2.863 544 I HA 0.771 4.941 4.170 -0.000 0.000 0.311 544 I C 0.755 176.843 176.117 -0.047 0.000 1.026 544 I CA -0.647 60.629 61.300 -0.040 0.000 1.077 544 I CB 1.939 39.929 38.000 -0.017 0.000 1.262 544 I HN 0.545 nan 8.210 nan 0.000 0.461 545 T N 0.024 114.540 114.554 -0.065 0.000 2.748 545 T HA 0.265 4.615 4.350 -0.000 0.000 0.304 545 T C 1.011 175.672 174.700 -0.065 0.000 1.041 545 T CA -0.112 61.951 62.100 -0.061 0.000 1.033 545 T CB 0.857 69.690 68.868 -0.058 0.000 0.995 545 T HN 0.938 nan 8.240 nan 0.000 0.536 546 G N -0.059 108.702 108.800 -0.065 0.000 3.262 546 G HA2 0.146 4.106 3.960 -0.000 0.000 0.228 546 G HA3 0.146 4.106 3.960 -0.000 0.000 0.228 546 G C 0.044 174.918 174.900 -0.043 0.000 1.197 546 G CA -0.463 44.594 45.100 -0.072 0.000 0.819 546 G HN 0.769 nan 8.290 nan 0.000 0.531 547 D N 0.739 121.124 120.400 -0.024 0.000 2.493 547 D HA 0.021 4.661 4.640 -0.000 0.000 0.240 547 D C 0.602 176.950 176.300 0.080 0.000 1.142 547 D CA 0.328 54.344 54.000 0.027 0.000 0.872 547 D CB 1.239 42.076 40.800 0.061 0.000 1.173 547 D HN 0.166 nan 8.370 nan 0.000 0.467 548 R N 3.357 123.938 120.500 0.134 0.000 2.389 548 R HA 0.182 4.522 4.340 -0.000 0.000 0.295 548 R C -2.240 174.262 176.300 0.337 0.000 1.075 548 R CA -1.208 55.017 56.100 0.209 0.000 1.005 548 R CB 0.597 31.043 30.300 0.243 0.000 0.987 548 R HN 0.191 nan 8.270 nan 0.000 0.452 549 P HA -0.032 nan 4.420 nan 0.000 0.272 549 P C -0.387 176.930 177.300 0.028 0.000 1.223 549 P CA -0.296 62.975 63.100 0.286 0.000 0.784 549 P CB 0.562 32.432 31.700 0.282 0.000 0.923 550 L N 4.091 125.263 121.223 -0.084 0.000 2.628 550 L HA 0.072 4.412 4.340 -0.000 0.000 0.274 550 L C -1.939 174.738 176.870 -0.322 0.000 1.209 550 L CA -1.089 53.416 54.840 -0.559 0.000 0.930 550 L CB -0.240 41.704 42.059 -0.191 0.000 1.183 550 L HN 0.260 nan 8.230 nan 0.000 0.492 551 P HA 0.126 nan 4.420 nan 0.000 0.280 551 P C -0.072 177.170 177.300 -0.096 0.000 1.386 551 P CA -0.334 62.655 63.100 -0.184 0.000 0.899 551 P CB 1.440 33.055 31.700 -0.142 0.000 1.098 552 A N 4.193 126.951 122.820 -0.103 0.000 2.172 552 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 552 A C 1.687 179.179 177.584 -0.154 0.000 1.154 552 A CA 1.061 53.006 52.037 -0.153 0.000 0.701 552 A CB -0.599 18.264 19.000 -0.228 0.000 0.789 552 A HN 0.539 nan 8.150 nan 0.000 0.465 553 E N -0.151 119.972 120.200 -0.128 0.000 2.479 553 E HA 0.044 4.394 4.350 -0.000 0.000 0.193 553 E C 0.163 176.707 176.600 -0.094 0.000 1.049 553 E CA 0.368 56.695 56.400 -0.122 0.000 0.870 553 E CB -0.006 29.615 29.700 -0.132 0.000 0.944 553 E HN 0.425 nan 8.360 nan 0.000 0.492 554 K N 1.292 121.652 120.400 -0.066 0.000 3.253 554 K HA 0.329 4.649 4.320 -0.000 0.000 0.174 554 K C -0.581 175.998 176.600 -0.035 0.000 1.071 554 K CA -0.285 55.983 56.287 -0.032 0.000 0.836 554 K CB 0.703 33.218 32.500 0.025 0.000 0.922 554 K HN 0.052 nan 8.250 nan 0.000 0.565 555 L N 1.989 123.105 121.223 -0.178 0.000 2.410 555 L HA 0.190 4.530 4.340 -0.000 0.000 0.273 555 L C 0.556 177.017 176.870 -0.682 0.000 1.152 555 L CA 0.060 54.625 54.840 -0.459 0.000 0.855 555 L CB 0.270 42.136 42.059 -0.321 0.000 1.129 555 L HN 0.019 nan 8.230 nan 0.000 0.463 556 R N 6.115 125.765 120.500 -1.416 0.000 2.494 556 R HA 0.348 4.688 4.340 -0.000 0.000 0.284 556 R C -0.055 175.824 176.300 -0.702 0.000 1.525 556 R CA -0.089 55.531 56.100 -0.801 0.000 1.460 556 R CB 0.653 30.701 30.300 -0.421 0.000 1.134 556 R HN 0.721 nan 8.270 nan 0.000 0.592 557 L N -0.893 120.057 121.223 -0.456 0.000 3.076 557 L HA 0.265 4.605 4.340 -0.000 0.000 0.271 557 L C 0.149 176.921 176.870 -0.163 0.000 1.152 557 L CA -0.002 54.685 54.840 -0.255 0.000 0.996 557 L CB 0.749 42.678 42.059 -0.216 0.000 1.453 557 L HN 0.153 nan 8.230 nan 0.000 0.571 558 D N 0.322 120.622 120.400 -0.168 0.000 2.329 558 D HA 0.126 4.766 4.640 -0.000 0.000 0.232 558 D C 1.081 177.321 176.300 -0.100 0.000 1.088 558 D CA 0.082 54.008 54.000 -0.122 0.000 0.835 558 D CB 1.756 42.486 40.800 -0.116 0.000 1.078 558 D HN 0.047 nan 8.370 nan 0.000 0.495 559 S N 2.366 118.018 115.700 -0.081 0.000 2.561 559 S HA -0.021 4.449 4.470 -0.000 0.000 0.225 559 S C 1.687 176.253 174.600 -0.055 0.000 0.977 559 S CA 0.483 58.645 58.200 -0.064 0.000 0.926 559 S CB 0.129 63.297 63.200 -0.054 0.000 0.769 559 S HN 0.396 nan 8.310 nan 0.000 0.533 560 A N 1.327 124.112 122.820 -0.058 0.000 2.167 560 A HA 0.371 4.691 4.320 -0.000 0.000 0.214 560 A C 2.043 179.597 177.584 -0.050 0.000 1.151 560 A CA 0.796 52.804 52.037 -0.048 0.000 0.735 560 A CB -0.452 18.522 19.000 -0.045 0.000 0.802 560 A HN 0.646 nan 8.150 nan 0.000 0.467 561 M N -1.741 117.822 119.600 -0.062 0.000 2.393 561 M HA 0.196 4.676 4.480 -0.000 0.000 0.270 561 M C -0.274 175.986 176.300 -0.067 0.000 1.127 561 M CA 0.281 55.543 55.300 -0.064 0.000 1.104 561 M CB 0.716 33.270 32.600 -0.076 0.000 1.523 561 M HN 0.120 nan 8.290 nan 0.000 0.546 562 S N 0.803 116.460 115.700 -0.073 0.000 2.570 562 S HA 0.485 4.955 4.470 -0.000 0.000 0.286 562 S C -0.149 174.420 174.600 -0.052 0.000 1.099 562 S CA -0.970 57.189 58.200 -0.070 0.000 0.913 562 S CB 2.044 65.183 63.200 -0.102 0.000 1.085 562 S HN 0.377 nan 8.310 nan 0.000 0.480 563 S N 1.308 116.986 115.700 -0.037 0.000 2.579 563 S HA 0.425 4.895 4.470 -0.000 0.000 0.275 563 S C 1.404 175.990 174.600 -0.022 0.000 1.345 563 S CA -0.213 57.972 58.200 -0.026 0.000 1.031 563 S CB 0.668 63.858 63.200 -0.016 0.000 0.892 563 S HN 0.949 nan 8.310 nan 0.000 0.529 564 A N 2.761 125.570 122.820 -0.018 0.000 1.978 564 A HA 0.076 4.396 4.320 -0.000 0.000 0.220 564 A C 2.375 179.960 177.584 0.001 0.000 1.170 564 A CA 1.884 53.914 52.037 -0.012 0.000 0.636 564 A CB -1.576 17.417 19.000 -0.011 0.000 0.810 564 A HN 1.393 nan 8.150 nan 0.000 0.448 565 A N -0.377 122.444 122.820 0.002 0.000 1.929 565 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 565 A C 1.757 179.357 177.584 0.026 0.000 1.176 565 A CA 1.732 53.776 52.037 0.011 0.000 0.628 565 A CB -0.423 18.581 19.000 0.007 0.000 0.816 565 A HN 0.422 nan 8.150 nan 0.000 0.444 566 D N -0.066 120.347 120.400 0.021 0.000 2.183 566 D HA -0.040 4.600 4.640 -0.000 0.000 0.203 566 D C 1.817 178.160 176.300 0.071 0.000 0.969 566 D CA 0.808 54.833 54.000 0.042 0.000 0.842 566 D CB -0.211 40.597 40.800 0.013 0.000 0.957 566 D HN 0.521 nan 8.370 nan 0.000 0.484 567 I N 0.920 121.508 120.570 0.031 0.000 2.202 567 I HA -0.185 3.985 4.170 -0.000 0.000 0.242 567 I C 2.232 178.422 176.117 0.121 0.000 1.091 567 I CA 0.893 62.217 61.300 0.040 0.000 1.368 567 I CB -0.063 37.928 38.000 -0.016 0.000 1.058 567 I HN -0.124 nan 8.210 nan 0.000 0.410 568 E N 1.078 121.324 120.200 0.076 0.000 2.072 568 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 568 E C 2.330 178.977 176.600 0.078 0.000 0.985 568 E CA 1.414 57.857 56.400 0.071 0.000 0.801 568 E CB -0.364 29.358 29.700 0.037 0.000 0.750 568 E HN 0.473 nan 8.360 nan 0.000 0.452 569 A N 0.661 123.528 122.820 0.078 0.000 1.902 569 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 569 A C 2.129 179.753 177.584 0.067 0.000 1.181 569 A CA 1.306 53.375 52.037 0.053 0.000 0.623 569 A CB -0.822 18.207 19.000 0.050 0.000 0.818 569 A HN 0.300 nan 8.150 nan 0.000 0.443 570 F N 0.615 120.574 119.950 0.015 0.000 2.084 570 F HA -0.143 4.384 4.527 0.000 0.000 0.296 570 F C 2.227 178.092 175.800 0.108 0.000 1.111 570 F CA 2.165 60.226 58.000 0.101 0.000 1.224 570 F CB -0.164 38.923 39.000 0.145 0.000 0.991 570 F HN 0.095 nan 8.300 nan 0.000 0.471 571 K N -0.233 120.364 120.400 0.327 0.000 2.044 571 K HA -0.308 4.012 4.320 -0.000 0.000 0.210 571 K C 2.106 178.726 176.600 0.034 0.000 1.049 571 K CA 2.019 58.412 56.287 0.176 0.000 0.927 571 K CB -0.415 32.181 32.500 0.160 0.000 0.713 571 K HN 0.313 nan 8.250 nan 0.000 0.443 572 Q N 1.199 120.997 119.800 -0.003 0.000 2.079 572 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 572 Q C 1.993 177.907 176.000 -0.142 0.000 0.974 572 Q CA 1.531 57.305 55.803 -0.048 0.000 0.840 572 Q CB -0.067 28.650 28.738 -0.035 0.000 0.898 572 Q HN 0.173 nan 8.270 nan 0.000 0.430 573 R N -1.420 118.896 120.500 -0.306 0.000 2.075 573 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 573 R C 0.880 176.809 176.300 -0.618 0.000 1.126 573 R CA 1.433 57.195 56.100 -0.563 0.000 0.963 573 R CB -0.040 29.716 30.300 -0.906 0.000 0.858 573 R HN 0.356 nan 8.270 nan 0.000 0.435 574 Y N 0.419 120.617 120.300 -0.171 0.000 2.458 574 Y HA 0.252 4.802 4.550 -0.000 0.000 0.256 574 Y C -0.223 175.705 175.900 0.047 0.000 1.159 574 Y CA -0.236 57.789 58.100 -0.125 0.000 1.261 574 Y CB 0.339 38.561 38.460 -0.396 0.000 1.119 574 Y HN 0.127 nan 8.280 nan 0.000 0.524 575 E N -0.760 119.507 120.200 0.111 0.000 2.513 575 E HA -0.237 4.113 4.350 -0.000 0.000 0.257 575 E C 0.562 177.338 176.600 0.292 0.000 1.098 575 E CA 0.423 56.910 56.400 0.144 0.000 0.752 575 E CB -1.423 28.329 29.700 0.087 0.000 1.324 575 E HN 0.456 nan 8.360 nan 0.000 0.403 576 A N 0.341 123.288 122.820 0.210 0.000 2.610 576 A HA 0.196 4.516 4.320 -0.000 0.000 0.286 576 A C 1.453 179.108 177.584 0.118 0.000 1.306 576 A CA -0.183 51.927 52.037 0.122 0.000 0.942 576 A CB 0.242 19.228 19.000 -0.024 0.000 1.112 576 A HN 0.152 nan 8.150 nan 0.000 0.527 577 Q N 0.466 120.336 119.800 0.117 0.000 2.197 577 Q HA -0.172 4.168 4.340 -0.000 0.000 0.207 577 Q C 0.562 176.609 176.000 0.077 0.000 0.984 577 Q CA 2.018 57.873 55.803 0.087 0.000 0.869 577 Q CB -0.020 28.758 28.738 0.066 0.000 0.906 577 Q HN 0.570 nan 8.270 nan 0.000 0.426 578 D N -0.921 119.536 120.400 0.095 0.000 2.349 578 D HA 0.090 4.730 4.640 -0.000 0.000 0.214 578 D C -0.129 176.226 176.300 0.091 0.000 1.063 578 D CA 0.078 54.130 54.000 0.086 0.000 0.847 578 D CB 0.331 41.186 40.800 0.092 0.000 0.933 578 D HN 0.223 nan 8.370 nan 0.000 0.513 579 L N 1.505 122.772 121.223 0.072 0.000 2.380 579 L HA 0.150 4.490 4.340 -0.000 0.000 0.273 579 L C 0.530 177.433 176.870 0.056 0.000 1.138 579 L CA 0.023 54.900 54.840 0.061 0.000 0.832 579 L CB 0.792 42.837 42.059 -0.024 0.000 1.124 579 L HN -0.223 nan 8.230 nan 0.000 0.454 580 Q N 4.379 124.229 119.800 0.083 0.000 2.342 580 Q HA 0.467 4.807 4.340 -0.000 0.000 0.267 580 Q C -2.401 173.598 176.000 -0.001 0.000 1.038 580 Q CA -1.939 53.860 55.803 -0.006 0.000 0.832 580 Q CB 2.377 31.056 28.738 -0.098 0.000 1.323 580 Q HN 0.345 nan 8.270 nan 0.000 0.448 581 P HA -0.010 nan 4.420 nan 0.000 0.272 581 P C 0.744 178.017 177.300 -0.045 0.000 1.223 581 P CA -0.355 62.697 63.100 -0.080 0.000 0.784 581 P CB 0.942 32.573 31.700 -0.115 0.000 0.923 582 L N 3.424 124.652 121.223 0.009 0.000 2.089 582 L HA -0.250 4.090 4.340 -0.000 0.000 0.213 582 L C 2.390 179.289 176.870 0.048 0.000 1.079 582 L CA 2.730 57.622 54.840 0.086 0.000 0.758 582 L CB -1.638 40.428 42.059 0.011 0.000 0.891 582 L HN 0.494 nan 8.230 nan 0.000 0.433 583 S N -2.922 112.766 115.700 -0.021 0.000 2.419 583 S HA -0.221 4.249 4.470 -0.000 0.000 0.235 583 S C 1.862 176.415 174.600 -0.079 0.000 1.019 583 S CA 1.582 59.766 58.200 -0.026 0.000 0.982 583 S CB -1.273 61.902 63.200 -0.042 0.000 0.789 583 S HN 0.564 nan 8.310 nan 0.000 0.490 584 T N 1.193 115.621 114.554 -0.209 0.000 2.746 584 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 584 T C 1.332 175.823 174.700 -0.348 0.000 1.039 584 T CA 1.771 63.651 62.100 -0.366 0.000 1.142 584 T CB -0.461 68.028 68.868 -0.631 0.000 0.866 584 T HN 0.620 nan 8.240 nan 0.000 0.444 585 Y N 0.875 121.191 120.300 0.026 0.000 2.269 585 Y HA 0.236 4.786 4.550 -0.000 0.000 0.294 585 Y C 2.180 178.193 175.900 0.187 0.000 1.120 585 Y CA -0.012 58.150 58.100 0.103 0.000 1.159 585 Y CB -0.781 37.725 38.460 0.077 0.000 1.024 585 Y HN 0.102 nan 8.280 nan 0.000 0.532 586 L N 0.148 121.521 121.223 0.251 0.000 2.043 586 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 586 L C 2.228 179.200 176.870 0.170 0.000 1.075 586 L CA 1.760 56.734 54.840 0.224 0.000 0.752 586 L CB -0.572 41.590 42.059 0.173 0.000 0.891 586 L HN 0.168 nan 8.230 nan 0.000 0.432 587 K N -0.422 120.022 120.400 0.073 0.000 2.097 587 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 587 K C 2.174 178.763 176.600 -0.018 0.000 1.050 587 K CA 1.122 57.421 56.287 0.020 0.000 0.938 587 K CB -0.146 32.336 32.500 -0.030 0.000 0.718 587 K HN 0.356 nan 8.250 nan 0.000 0.442 588 Q N -0.341 119.418 119.800 -0.068 0.000 2.135 588 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 588 Q C 0.995 176.751 176.000 -0.408 0.000 0.981 588 Q CA 1.414 57.058 55.803 -0.265 0.000 0.856 588 Q CB -0.001 28.509 28.738 -0.379 0.000 0.902 588 Q HN 0.282 nan 8.270 nan 0.000 0.425 589 F N -1.260 118.727 119.950 0.062 0.000 2.639 589 F HA 0.293 4.820 4.527 -0.000 0.000 0.300 589 F C 1.149 176.991 175.800 0.070 0.000 1.109 589 F CA 0.418 58.459 58.000 0.070 0.000 1.335 589 F CB 0.921 39.971 39.000 0.084 0.000 1.014 589 F HN 0.081 nan 8.300 nan 0.000 0.537 590 G N 0.751 109.637 108.800 0.143 0.000 2.132 590 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.234 590 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.234 590 G C -0.117 174.850 174.900 0.112 0.000 0.989 590 G CA -0.275 44.887 45.100 0.103 0.000 0.676 590 G HN 0.275 nan 8.290 nan 0.000 0.522 591 L N 0.692 121.999 121.223 0.139 0.000 2.334 591 L HA 0.560 4.900 4.340 -0.000 0.000 0.273 591 L C -0.037 176.890 176.870 0.096 0.000 1.013 591 L CA -1.309 53.609 54.840 0.130 0.000 0.816 591 L CB 1.197 43.371 42.059 0.191 0.000 1.278 591 L HN 0.030 nan 8.230 nan 0.000 0.431 592 D N 0.077 120.520 120.400 0.072 0.000 2.423 592 D HA 0.182 4.822 4.640 -0.000 0.000 0.255 592 D C -0.693 175.642 176.300 0.057 0.000 1.174 592 D CA -0.367 53.662 54.000 0.049 0.000 1.008 592 D CB 1.597 42.414 40.800 0.028 0.000 1.101 592 D HN 0.457 nan 8.370 nan 0.000 0.516 593 D N 0.000 120.421 120.400 0.036 0.000 6.856 593 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 593 D CA 0.000 54.020 54.000 0.033 0.000 0.868 593 D CB 0.000 40.808 40.800 0.014 0.000 0.688 593 D HN 0.000 nan 8.370 nan 0.000 0.683