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 2nwl_1_B DATA FIRST_RESID 10 DATA SEQUENCE YPVLIKILIG LILGAIVGLI LGHYGYAHAV HTYVKPFGDL FVRLLKMLVM DATA SEQUENCE PIVFASLVVG AASISPARLG RVGVKIVVYY LLTSAFAVTL GIIMARLFNP DATA SEQUENCE GAGIHLAVGX XXXXXXXXPP LVHILLDIVP TNPFGALANG QVLPTIFFAI DATA SEQUENCE ILGIAITYLM NSENEKVRKS AETLLDAING LAEAMYKIVN GVMQYAPIGV DATA SEQUENCE FALIAYVMAE QGVHVVGELA KVTAAVYVGL TLQILLVYFV LLKIYGIDPI DATA SEQUENCE SFIKHAKDAM LTAFVTRSSS GTLPVTMRVA KEMGISEGIY SFTLPLGATI DATA SEQUENCE NMDGTALYQG VCTFFIANAL GSHLTVGQQL TIVLTAVLAS IGTAGVPGAG DATA SEQUENCE AIMLAMVLHS VGLPLTDPNV AAAYAMILGI DAILDMGRTM VNVTGDLTGT DATA SEQUENCE AIVAKTE 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 10 Y HA 0.000 nan 4.550 nan 0.000 0.201 10 Y C 0.000 175.881 175.900 -0.031 0.000 1.272 10 Y CA 0.000 58.078 58.100 -0.037 0.000 1.940 10 Y CB 0.000 38.435 38.460 -0.042 0.000 1.050 11 P HA 0.520 nan 4.420 nan 0.000 0.321 11 P C 0.356 177.730 177.300 0.123 0.000 1.338 11 P CA -0.003 63.152 63.100 0.092 0.000 0.764 11 P CB -0.223 31.504 31.700 0.045 0.000 1.641 12 V N -0.642 119.308 119.914 0.060 0.000 3.697 12 V HA 0.081 4.203 4.120 0.003 0.000 0.285 12 V C 0.964 177.068 176.094 0.017 0.000 1.041 12 V CA -0.209 62.117 62.300 0.042 0.000 1.045 12 V CB -0.502 31.331 31.823 0.016 0.000 1.227 12 V HN 0.355 nan 8.190 nan 0.000 0.448 13 L N 1.744 122.964 121.223 -0.005 0.000 2.805 13 L HA 0.231 4.572 4.340 0.003 0.000 0.237 13 L C 1.423 178.271 176.870 -0.037 0.000 1.252 13 L CA 0.713 55.531 54.840 -0.036 0.000 1.064 13 L CB -0.559 41.478 42.059 -0.036 0.000 1.361 13 L HN 0.830 nan 8.230 nan 0.000 0.474 14 I N -1.576 118.978 120.570 -0.028 0.000 3.861 14 I HA 0.159 4.331 4.170 0.003 0.000 0.329 14 I C 2.225 178.321 176.117 -0.035 0.000 1.321 14 I CA 0.875 62.159 61.300 -0.028 0.000 1.126 14 I CB -0.859 37.130 38.000 -0.017 0.000 1.018 14 I HN 0.343 nan 8.210 nan 0.000 0.407 15 K N 0.245 120.615 120.400 -0.050 0.000 2.365 15 K HA 0.077 4.399 4.320 0.003 0.000 0.199 15 K C 1.732 178.282 176.600 -0.084 0.000 1.045 15 K CA 1.341 57.587 56.287 -0.069 0.000 0.962 15 K CB -0.779 31.665 32.500 -0.093 0.000 0.759 15 K HN 0.686 nan 8.250 nan 0.000 0.469 16 I N 0.725 121.246 120.570 -0.082 0.000 2.226 16 I HA -0.217 3.954 4.170 0.003 0.000 0.245 16 I C 2.151 178.243 176.117 -0.042 0.000 1.100 16 I CA 0.848 62.102 61.300 -0.078 0.000 1.374 16 I CB -0.017 37.943 38.000 -0.067 0.000 1.057 16 I HN 0.189 nan 8.210 nan 0.000 0.413 17 L N -0.002 121.200 121.223 -0.034 0.000 2.093 17 L HA -0.159 4.183 4.340 0.003 0.000 0.208 17 L C 2.886 179.750 176.870 -0.011 0.000 1.085 17 L CA 2.145 56.971 54.840 -0.023 0.000 0.755 17 L CB -1.693 40.351 42.059 -0.024 0.000 0.904 17 L HN 0.345 nan 8.230 nan 0.000 0.435 18 I N -0.618 119.940 120.570 -0.019 0.000 2.315 18 I HA -0.058 4.114 4.170 0.003 0.000 0.248 18 I C 2.538 178.660 176.117 0.009 0.000 1.117 18 I CA 1.878 63.169 61.300 -0.014 0.000 1.404 18 I CB -1.657 36.324 38.000 -0.033 0.000 1.071 18 I HN 0.311 nan 8.210 nan 0.000 0.419 19 G N -0.423 108.381 108.800 0.006 0.000 2.430 19 G HA2 -0.032 3.929 3.960 0.003 0.000 0.216 19 G HA3 -0.032 3.929 3.960 0.003 0.000 0.216 19 G C 1.660 176.655 174.900 0.159 0.000 1.146 19 G CA 1.020 46.173 45.100 0.089 0.000 0.793 19 G HN 0.631 nan 8.290 nan 0.000 0.537 20 L N 0.673 121.938 121.223 0.070 0.000 2.005 20 L HA 0.071 4.413 4.340 0.003 0.000 0.207 20 L C 2.487 179.392 176.870 0.059 0.000 1.072 20 L CA 1.390 56.267 54.840 0.060 0.000 0.744 20 L CB -0.274 41.802 42.059 0.029 0.000 0.895 20 L HN 0.049 nan 8.230 nan 0.000 0.433 21 I N -0.584 120.013 120.570 0.045 0.000 2.202 21 I HA -0.230 3.941 4.170 0.003 0.000 0.242 21 I C 2.536 178.690 176.117 0.061 0.000 1.091 21 I CA 1.278 62.599 61.300 0.036 0.000 1.368 21 I CB -1.343 36.667 38.000 0.018 0.000 1.058 21 I HN 0.338 nan 8.210 nan 0.000 0.410 22 L N 1.326 122.611 121.223 0.103 0.000 2.046 22 L HA -0.076 4.266 4.340 0.003 0.000 0.208 22 L C 2.453 179.447 176.870 0.207 0.000 1.077 22 L CA 2.117 57.056 54.840 0.165 0.000 0.747 22 L CB -1.042 41.131 42.059 0.191 0.000 0.896 22 L HN 0.230 nan 8.230 nan 0.000 0.432 23 G N -1.399 107.512 108.800 0.185 0.000 2.422 23 G HA2 -0.231 3.731 3.960 0.003 0.000 0.218 23 G HA3 -0.231 3.731 3.960 0.003 0.000 0.218 23 G C 1.596 176.411 174.900 -0.141 0.000 1.146 23 G CA 0.717 45.688 45.100 -0.214 0.000 0.769 23 G HN 0.595 nan 8.290 nan 0.000 0.547 24 A N 0.495 123.299 122.820 -0.026 0.000 1.898 24 A HA 0.078 4.400 4.320 0.003 0.000 0.216 24 A C 2.338 179.922 177.584 -0.001 0.000 1.181 24 A CA 1.369 53.403 52.037 -0.006 0.000 0.620 24 A CB -0.310 18.703 19.000 0.023 0.000 0.819 24 A HN 0.294 nan 8.150 nan 0.000 0.442 25 I N -0.698 119.881 120.570 0.016 0.000 2.202 25 I HA -0.156 4.015 4.170 0.003 0.000 0.242 25 I C 2.429 178.562 176.117 0.026 0.000 1.091 25 I CA 1.001 62.315 61.300 0.023 0.000 1.368 25 I CB -0.288 37.730 38.000 0.030 0.000 1.058 25 I HN 0.123 nan 8.210 nan 0.000 0.410 26 V N 0.636 120.572 119.914 0.036 0.000 2.343 26 V HA -0.235 3.886 4.120 0.003 0.000 0.247 26 V C 2.446 178.545 176.094 0.008 0.000 1.051 26 V CA 2.104 64.429 62.300 0.041 0.000 1.036 26 V CB -1.567 30.328 31.823 0.120 0.000 0.654 26 V HN 0.578 nan 8.190 nan 0.000 0.451 27 G N -0.257 108.518 108.800 -0.042 0.000 2.524 27 G HA2 -0.247 3.714 3.960 0.003 0.000 0.215 27 G HA3 -0.247 3.714 3.960 0.003 0.000 0.215 27 G C 1.510 176.434 174.900 0.040 0.000 1.239 27 G CA 1.035 46.125 45.100 -0.017 0.000 0.798 27 G HN 0.366 nan 8.290 nan 0.000 0.557 28 L N 0.949 122.191 121.223 0.031 0.000 2.051 28 L HA -0.117 4.225 4.340 0.003 0.000 0.214 28 L C 2.800 179.735 176.870 0.109 0.000 1.076 28 L CA 1.392 56.264 54.840 0.055 0.000 0.758 28 L CB -0.547 41.529 42.059 0.029 0.000 0.890 28 L HN 0.341 nan 8.230 nan 0.000 0.433 29 I N -1.698 118.933 120.570 0.102 0.000 2.163 29 I HA -0.340 3.832 4.170 0.003 0.000 0.240 29 I C 2.383 178.660 176.117 0.268 0.000 1.081 29 I CA 1.223 62.618 61.300 0.159 0.000 1.353 29 I CB -0.294 37.745 38.000 0.065 0.000 1.054 29 I HN 0.208 nan 8.210 nan 0.000 0.407 30 L N 0.381 121.713 121.223 0.182 0.000 2.083 30 L HA -0.166 4.175 4.340 0.003 0.000 0.209 30 L C 2.536 179.600 176.870 0.323 0.000 1.083 30 L CA 1.610 56.591 54.840 0.236 0.000 0.752 30 L CB -0.852 41.299 42.059 0.154 0.000 0.899 30 L HN 0.340 nan 8.230 nan 0.000 0.433 31 G N -2.236 106.707 108.800 0.238 0.000 2.448 31 G HA2 -0.258 3.704 3.960 0.003 0.000 0.218 31 G HA3 -0.258 3.704 3.960 0.003 0.000 0.218 31 G C 1.508 176.505 174.900 0.161 0.000 1.135 31 G CA 0.242 45.453 45.100 0.185 0.000 0.784 31 G HN 0.411 nan 8.290 nan 0.000 0.543 32 H N -0.539 118.607 119.070 0.127 0.000 2.457 32 H HA -0.001 4.556 4.556 0.003 0.000 0.294 32 H C 0.746 176.052 175.328 -0.037 0.000 1.064 32 H CA 0.775 56.841 56.048 0.029 0.000 1.330 32 H CB 0.179 29.969 29.762 0.047 0.000 1.395 32 H HN 0.417 nan 8.280 nan 0.000 0.541 33 Y N -0.107 120.271 120.300 0.130 0.000 2.583 33 Y HA 0.226 4.777 4.550 0.003 0.000 0.294 33 Y C 1.678 177.507 175.900 -0.118 0.000 1.170 33 Y CA 0.417 58.562 58.100 0.075 0.000 1.265 33 Y CB 0.283 38.886 38.460 0.237 0.000 1.119 33 Y HN 0.368 nan 8.280 nan 0.000 0.522 34 G N -0.722 108.057 108.800 -0.035 0.000 2.155 34 G HA2 -0.377 3.585 3.960 0.003 0.000 0.257 34 G HA3 -0.377 3.585 3.960 0.003 0.000 0.257 34 G C 0.154 174.949 174.900 -0.174 0.000 0.983 34 G CA 0.031 45.039 45.100 -0.152 0.000 0.676 34 G HN 0.556 nan 8.290 nan 0.000 0.528 35 Y N 0.348 120.733 120.300 0.142 0.000 2.882 35 Y HA 0.493 5.044 4.550 0.003 0.000 0.361 35 Y C 2.227 178.234 175.900 0.178 0.000 1.058 35 Y CA 0.261 58.451 58.100 0.150 0.000 1.575 35 Y CB 0.120 38.657 38.460 0.128 0.000 1.383 35 Y HN 0.342 nan 8.280 nan 0.000 0.515 36 A N -0.715 122.268 122.820 0.272 0.000 1.933 36 A HA -0.231 4.091 4.320 0.003 0.000 0.218 36 A C 1.498 179.297 177.584 0.358 0.000 1.175 36 A CA 1.756 53.959 52.037 0.277 0.000 0.628 36 A CB -0.408 18.723 19.000 0.217 0.000 0.814 36 A HN 0.582 nan 8.150 nan 0.000 0.444 37 H N -1.064 118.146 119.070 0.232 0.000 2.548 37 H HA 0.345 4.902 4.556 0.003 0.000 0.268 37 H C 2.175 177.695 175.328 0.320 0.000 0.975 37 H CA 0.704 56.901 56.048 0.248 0.000 1.195 37 H CB 0.071 29.925 29.762 0.153 0.000 1.397 37 H HN 0.493 nan 8.280 nan 0.000 0.572 38 A N -0.201 122.875 122.820 0.427 0.000 1.930 38 A HA -0.061 4.260 4.320 0.003 0.000 0.215 38 A C 2.362 180.145 177.584 0.331 0.000 1.176 38 A CA 1.262 53.521 52.037 0.369 0.000 0.632 38 A CB -0.500 18.677 19.000 0.295 0.000 0.819 38 A HN 0.239 nan 8.150 nan 0.000 0.445 39 V N -0.289 119.807 119.914 0.304 0.000 2.379 39 V HA -0.221 3.901 4.120 0.003 0.000 0.245 39 V C 2.491 178.722 176.094 0.228 0.000 1.044 39 V CA 1.941 64.401 62.300 0.267 0.000 1.036 39 V CB -1.012 30.976 31.823 0.275 0.000 0.664 39 V HN 0.779 nan 8.190 nan 0.000 0.453 40 H N 0.852 119.991 119.070 0.115 0.000 2.353 40 H HA -0.162 4.396 4.556 0.003 0.000 0.300 40 H C 2.116 177.344 175.328 -0.167 0.000 1.090 40 H CA 2.170 58.114 56.048 -0.173 0.000 1.327 40 H CB -0.026 29.585 29.762 -0.252 0.000 1.383 40 H HN 0.516 nan 8.280 nan 0.000 0.508 41 T N -1.714 112.865 114.554 0.042 0.000 3.088 41 T HA -0.003 4.348 4.350 0.003 0.000 0.259 41 T C 1.174 175.701 174.700 -0.288 0.000 1.122 41 T CA 0.574 62.616 62.100 -0.097 0.000 1.095 41 T CB -0.045 68.852 68.868 0.048 0.000 0.930 41 T HN 0.281 nan 8.240 nan 0.000 0.508 42 Y N -1.081 119.189 120.300 -0.051 0.000 2.784 42 Y HA 0.199 4.751 4.550 0.003 0.000 0.267 42 Y C 2.381 178.300 175.900 0.032 0.000 1.117 42 Y CA -0.099 57.996 58.100 -0.008 0.000 1.231 42 Y CB 0.823 39.325 38.460 0.069 0.000 1.441 42 Y HN 0.034 nan 8.280 nan 0.000 0.469 43 V N 0.011 120.067 119.914 0.236 0.000 2.500 43 V HA -0.029 4.093 4.120 0.003 0.000 0.243 43 V C 2.382 178.565 176.094 0.148 0.000 1.039 43 V CA 1.830 64.304 62.300 0.290 0.000 1.053 43 V CB -1.165 30.797 31.823 0.231 0.000 0.695 43 V HN 0.298 nan 8.190 nan 0.000 0.463 44 K N 0.948 121.316 120.400 -0.054 0.000 2.063 44 K HA -0.174 4.147 4.320 0.003 0.000 0.208 44 K C 0.438 176.930 176.600 -0.179 0.000 1.048 44 K CA 2.248 58.420 56.287 -0.192 0.000 0.928 44 K CB -2.538 29.625 32.500 -0.561 0.000 0.713 44 K HN 0.571 nan 8.250 nan 0.000 0.442 45 P HA -0.091 nan 4.420 nan 0.000 0.218 45 P C 0.982 178.175 177.300 -0.179 0.000 1.148 45 P CA 0.874 63.794 63.100 -0.301 0.000 0.822 45 P CB -0.140 31.279 31.700 -0.468 0.000 0.784 46 F N -0.941 119.059 119.950 0.083 0.000 2.293 46 F HA -0.009 4.520 4.527 0.003 0.000 0.300 46 F C 2.506 178.464 175.800 0.262 0.000 1.086 46 F CA 1.050 59.176 58.000 0.210 0.000 1.375 46 F CB -1.000 38.123 39.000 0.205 0.000 1.045 46 F HN -0.038 nan 8.300 nan 0.000 0.516 47 G N -0.706 108.281 108.800 0.312 0.000 2.430 47 G HA2 -0.154 3.808 3.960 0.003 0.000 0.216 47 G HA3 -0.154 3.808 3.960 0.003 0.000 0.216 47 G C 1.277 176.329 174.900 0.254 0.000 1.146 47 G CA 0.601 45.862 45.100 0.268 0.000 0.793 47 G HN 0.181 nan 8.290 nan 0.000 0.537 48 D N 0.297 120.775 120.400 0.129 0.000 2.149 48 D HA -0.068 4.574 4.640 0.003 0.000 0.201 48 D C 2.419 178.772 176.300 0.089 0.000 0.972 48 D CA 0.400 54.437 54.000 0.061 0.000 0.835 48 D CB -0.145 40.629 40.800 -0.043 0.000 0.966 48 D HN 0.233 nan 8.370 nan 0.000 0.476 49 L N 0.461 121.761 121.223 0.127 0.000 2.042 49 L HA -0.173 4.169 4.340 0.003 0.000 0.210 49 L C 2.094 179.055 176.870 0.151 0.000 1.076 49 L CA 1.397 56.290 54.840 0.088 0.000 0.749 49 L CB -0.696 41.395 42.059 0.054 0.000 0.893 49 L HN -0.069 nan 8.230 nan 0.000 0.432 50 F N -0.799 119.284 119.950 0.222 0.000 2.134 50 F HA -0.159 4.369 4.527 0.003 0.000 0.299 50 F C 2.069 177.943 175.800 0.123 0.000 1.097 50 F CA 1.878 60.035 58.000 0.263 0.000 1.264 50 F CB -0.594 38.620 39.000 0.357 0.000 1.001 50 F HN -0.049 nan 8.300 nan 0.000 0.479 51 V N 1.008 120.893 119.914 -0.049 0.000 2.358 51 V HA -0.224 3.898 4.120 0.003 0.000 0.246 51 V C 2.644 178.651 176.094 -0.144 0.000 1.047 51 V CA 1.712 63.908 62.300 -0.173 0.000 1.035 51 V CB -0.758 31.043 31.823 -0.038 0.000 0.658 51 V HN 0.209 nan 8.190 nan 0.000 0.452 52 R N -0.014 120.443 120.500 -0.072 0.000 2.103 52 R HA -0.150 4.191 4.340 0.003 0.000 0.242 52 R C 2.214 178.463 176.300 -0.086 0.000 1.142 52 R CA 1.596 57.655 56.100 -0.068 0.000 0.960 52 R CB -0.872 29.400 30.300 -0.048 0.000 0.858 52 R HN 0.462 nan 8.270 nan 0.000 0.439 53 L N 0.210 121.372 121.223 -0.102 0.000 2.109 53 L HA -0.125 4.217 4.340 0.003 0.000 0.207 53 L C 2.457 179.251 176.870 -0.127 0.000 1.086 53 L CA 0.896 55.678 54.840 -0.096 0.000 0.760 53 L CB -0.323 41.698 42.059 -0.062 0.000 0.910 53 L HN 0.124 nan 8.230 nan 0.000 0.437 54 L N -0.718 120.375 121.223 -0.217 0.000 2.109 54 L HA -0.130 4.212 4.340 0.003 0.000 0.207 54 L C 2.687 179.477 176.870 -0.133 0.000 1.086 54 L CA 0.830 55.544 54.840 -0.211 0.000 0.760 54 L CB -0.455 41.397 42.059 -0.346 0.000 0.910 54 L HN 0.184 nan 8.230 nan 0.000 0.437 55 K N 0.069 120.398 120.400 -0.119 0.000 2.057 55 K HA -0.224 4.097 4.320 0.003 0.000 0.207 55 K C 2.031 178.596 176.600 -0.058 0.000 1.049 55 K CA 1.581 57.822 56.287 -0.077 0.000 0.931 55 K CB -0.471 31.990 32.500 -0.066 0.000 0.714 55 K HN 0.319 nan 8.250 nan 0.000 0.440 56 M N 1.109 120.673 119.600 -0.060 0.000 2.103 56 M HA -0.228 4.254 4.480 0.003 0.000 0.255 56 M C 1.826 178.102 176.300 -0.039 0.000 1.074 56 M CA 1.773 57.046 55.300 -0.046 0.000 1.090 56 M CB -0.149 32.423 32.600 -0.047 0.000 1.325 56 M HN 0.052 nan 8.290 nan 0.000 0.403 57 L N -0.635 120.557 121.223 -0.051 0.000 2.313 57 L HA -0.089 4.252 4.340 0.003 0.000 0.214 57 L C 2.294 179.135 176.870 -0.047 0.000 1.119 57 L CA 0.137 54.946 54.840 -0.052 0.000 0.809 57 L CB -0.766 41.253 42.059 -0.068 0.000 0.933 57 L HN 0.237 nan 8.230 nan 0.000 0.449 58 V N -0.213 119.678 119.914 -0.039 0.000 2.233 58 V HA -0.336 3.786 4.120 0.003 0.000 0.247 58 V C 2.676 178.775 176.094 0.008 0.000 1.050 58 V CA 1.791 64.079 62.300 -0.020 0.000 1.010 58 V CB -0.445 31.368 31.823 -0.016 0.000 0.637 58 V HN 0.346 nan 8.190 nan 0.000 0.444 59 M N -0.682 118.926 119.600 0.014 0.000 2.080 59 M HA -0.092 4.390 4.480 0.003 0.000 0.260 59 M C 0.284 176.631 176.300 0.079 0.000 1.068 59 M CA 2.125 57.449 55.300 0.039 0.000 1.109 59 M CB -2.688 29.921 32.600 0.014 0.000 1.342 59 M HN 0.283 nan 8.290 nan 0.000 0.405 60 P HA -0.091 nan 4.420 nan 0.000 0.214 60 P C 1.977 179.335 177.300 0.097 0.000 1.162 60 P CA 1.155 64.314 63.100 0.100 0.000 0.879 60 P CB -0.056 31.673 31.700 0.049 0.000 0.786 61 I N -0.945 119.626 120.570 0.002 0.000 2.286 61 I HA -0.208 3.963 4.170 0.003 0.000 0.248 61 I C 1.917 178.034 176.117 -0.001 0.000 1.115 61 I CA 1.280 62.532 61.300 -0.080 0.000 1.392 61 I CB -0.125 37.740 38.000 -0.226 0.000 1.065 61 I HN -0.210 nan 8.210 nan 0.000 0.418 62 V N 0.563 120.513 119.914 0.060 0.000 2.270 62 V HA -0.311 3.811 4.120 0.003 0.000 0.245 62 V C 2.156 178.333 176.094 0.138 0.000 1.043 62 V CA 2.223 64.582 62.300 0.099 0.000 1.014 62 V CB -0.781 31.107 31.823 0.108 0.000 0.645 62 V HN 0.485 nan 8.190 nan 0.000 0.447 63 F N 1.604 121.581 119.950 0.045 0.000 2.051 63 F HA -0.165 4.364 4.527 0.003 0.000 0.296 63 F C 2.296 178.124 175.800 0.046 0.000 1.122 63 F CA 1.826 59.864 58.000 0.063 0.000 1.201 63 F CB -0.769 38.279 39.000 0.081 0.000 0.978 63 F HN 0.061 nan 8.300 nan 0.000 0.472 64 A N -0.557 122.241 122.820 -0.038 0.000 1.933 64 A HA -0.146 4.176 4.320 0.003 0.000 0.218 64 A C 2.320 179.817 177.584 -0.144 0.000 1.175 64 A CA 2.004 53.947 52.037 -0.158 0.000 0.628 64 A CB -1.254 17.784 19.000 0.063 0.000 0.814 64 A HN 0.472 nan 8.150 nan 0.000 0.444 65 S N -0.780 114.892 115.700 -0.047 0.000 2.406 65 S HA -0.061 4.411 4.470 0.003 0.000 0.228 65 S C 1.731 176.274 174.600 -0.096 0.000 1.020 65 S CA 1.185 59.382 58.200 -0.004 0.000 0.965 65 S CB -0.227 63.043 63.200 0.117 0.000 0.798 65 S HN 0.444 nan 8.310 nan 0.000 0.488 66 L N 1.617 122.766 121.223 -0.123 0.000 2.240 66 L HA 0.133 4.475 4.340 0.003 0.000 0.211 66 L C 2.017 178.758 176.870 -0.214 0.000 1.106 66 L CA 1.165 55.929 54.840 -0.127 0.000 0.793 66 L CB -0.577 41.456 42.059 -0.043 0.000 0.927 66 L HN 0.087 nan 8.230 nan 0.000 0.446 67 V N -1.085 118.622 119.914 -0.344 0.000 2.295 67 V HA -0.243 3.878 4.120 0.003 0.000 0.246 67 V C 2.397 178.352 176.094 -0.232 0.000 1.049 67 V CA 1.732 63.812 62.300 -0.365 0.000 1.024 67 V CB -0.522 30.974 31.823 -0.545 0.000 0.648 67 V HN 0.302 nan 8.190 nan 0.000 0.447 68 V N 0.978 120.779 119.914 -0.188 0.000 2.970 68 V HA -0.067 4.055 4.120 0.003 0.000 0.260 68 V C 2.543 178.560 176.094 -0.129 0.000 1.100 68 V CA 1.618 63.843 62.300 -0.125 0.000 1.122 68 V CB -1.313 30.461 31.823 -0.081 0.000 0.721 68 V HN 0.597 nan 8.190 nan 0.000 0.483 69 G N 0.317 109.026 108.800 -0.152 0.000 2.408 69 G HA2 -0.101 3.861 3.960 0.003 0.000 0.217 69 G HA3 -0.101 3.861 3.960 0.003 0.000 0.217 69 G C 1.162 175.976 174.900 -0.144 0.000 1.150 69 G CA 0.603 45.609 45.100 -0.156 0.000 0.776 69 G HN 0.647 nan 8.290 nan 0.000 0.542 70 A N 0.559 123.287 122.820 -0.154 0.000 3.074 70 A HA 0.704 5.026 4.320 0.003 0.000 0.251 70 A C 1.775 179.293 177.584 -0.110 0.000 1.695 70 A CA 0.853 52.803 52.037 -0.145 0.000 1.343 70 A CB -0.456 18.442 19.000 -0.171 0.000 1.078 70 A HN 0.504 nan 8.150 nan 0.000 0.644 71 A N 0.495 123.256 122.820 -0.098 0.000 1.887 71 A HA 0.244 4.566 4.320 0.003 0.000 0.212 71 A C 1.722 179.265 177.584 -0.068 0.000 1.198 71 A CA 0.925 52.917 52.037 -0.075 0.000 0.628 71 A CB -0.808 18.149 19.000 -0.070 0.000 0.847 71 A HN 1.080 nan 8.150 nan 0.000 0.449 72 S N -0.081 115.574 115.700 -0.074 0.000 2.572 72 S HA 0.302 4.774 4.470 0.003 0.000 0.267 72 S C 0.298 174.860 174.600 -0.064 0.000 1.361 72 S CA -0.540 57.620 58.200 -0.066 0.000 1.009 72 S CB -0.261 62.897 63.200 -0.070 0.000 0.888 72 S HN 0.355 nan 8.310 nan 0.000 0.553 73 I N 2.484 123.021 120.570 -0.055 0.000 2.996 73 I HA -0.125 4.047 4.170 0.003 0.000 0.310 73 I C 1.796 177.881 176.117 -0.053 0.000 1.225 73 I CA 0.380 61.651 61.300 -0.049 0.000 1.442 73 I CB 0.127 38.102 38.000 -0.043 0.000 1.334 73 I HN 0.975 nan 8.210 nan 0.000 0.550 74 S N 7.790 123.473 115.700 -0.029 0.000 2.338 74 S HA -0.012 4.460 4.470 0.003 0.000 0.218 74 S C -0.460 174.116 174.600 -0.040 0.000 1.032 74 S CA 1.071 59.257 58.200 -0.024 0.000 0.999 74 S CB -0.628 62.616 63.200 0.075 0.000 0.905 74 S HN 0.564 nan 8.310 nan 0.000 0.439 75 P HA 0.104 nan 4.420 nan 0.000 0.211 75 P C 0.977 178.255 177.300 -0.036 0.000 1.179 75 P CA 1.547 64.634 63.100 -0.021 0.000 0.910 75 P CB -0.414 31.281 31.700 -0.008 0.000 0.785 76 A N -1.058 121.742 122.820 -0.034 0.000 2.645 76 A HA 0.191 4.513 4.320 0.003 0.000 0.245 76 A C 1.236 178.788 177.584 -0.054 0.000 1.758 76 A CA 0.294 52.310 52.037 -0.035 0.000 0.850 76 A CB -0.454 18.530 19.000 -0.025 0.000 1.656 76 A HN 0.021 nan 8.150 nan 0.000 0.641 77 R N -2.373 118.099 120.500 -0.046 0.000 3.789 77 R HA -0.271 4.070 4.340 0.003 0.000 0.418 77 R C 1.540 177.789 176.300 -0.085 0.000 0.309 77 R CA 1.832 57.899 56.100 -0.055 0.000 1.202 77 R CB -2.339 27.922 30.300 -0.065 0.000 0.845 77 R HN 0.592 nan 8.270 nan 0.000 0.543 78 L N 0.626 121.756 121.223 -0.154 0.000 2.011 78 L HA -0.236 4.106 4.340 0.003 0.000 0.225 78 L C 2.613 179.356 176.870 -0.212 0.000 1.084 78 L CA 2.871 57.537 54.840 -0.291 0.000 0.791 78 L CB -2.037 39.815 42.059 -0.346 0.000 0.898 78 L HN 0.764 nan 8.230 nan 0.000 0.440 79 G N -1.349 107.374 108.800 -0.127 0.000 2.480 79 G HA2 -0.363 3.599 3.960 0.003 0.000 0.216 79 G HA3 -0.363 3.599 3.960 0.003 0.000 0.216 79 G C 1.855 176.742 174.900 -0.021 0.000 1.200 79 G CA 2.171 47.233 45.100 -0.063 0.000 0.782 79 G HN 0.469 nan 8.290 nan 0.000 0.554 80 R N -0.039 120.449 120.500 -0.019 0.000 2.070 80 R HA 0.134 4.476 4.340 0.003 0.000 0.233 80 R C 2.772 179.083 176.300 0.018 0.000 1.137 80 R CA 1.714 57.815 56.100 0.001 0.000 0.945 80 R CB -1.447 28.850 30.300 -0.004 0.000 0.845 80 R HN 0.418 nan 8.270 nan 0.000 0.430 81 V N 0.587 120.512 119.914 0.018 0.000 2.568 81 V HA -0.122 4.000 4.120 0.003 0.000 0.253 81 V C 2.462 178.651 176.094 0.158 0.000 1.072 81 V CA 2.226 64.564 62.300 0.063 0.000 1.084 81 V CB -0.763 31.108 31.823 0.081 0.000 0.676 81 V HN 0.746 nan 8.190 nan 0.000 0.469 82 G N -0.723 108.192 108.800 0.191 0.000 2.464 82 G HA2 -0.200 3.762 3.960 0.003 0.000 0.214 82 G HA3 -0.200 3.762 3.960 0.003 0.000 0.214 82 G C 1.646 176.638 174.900 0.154 0.000 1.218 82 G CA 1.183 46.477 45.100 0.323 0.000 0.794 82 G HN 0.397 nan 8.290 nan 0.000 0.542 83 V N 1.020 120.989 119.914 0.090 0.000 2.282 83 V HA -0.236 3.886 4.120 0.003 0.000 0.249 83 V C 2.792 178.909 176.094 0.038 0.000 1.057 83 V CA 2.426 64.762 62.300 0.061 0.000 1.032 83 V CB -0.587 31.264 31.823 0.047 0.000 0.645 83 V HN 0.346 nan 8.190 nan 0.000 0.447 84 K N -0.529 119.885 120.400 0.023 0.000 2.001 84 K HA -0.232 4.090 4.320 0.003 0.000 0.214 84 K C 2.105 178.672 176.600 -0.055 0.000 1.050 84 K CA 2.115 58.399 56.287 -0.006 0.000 0.934 84 K CB -0.466 32.020 32.500 -0.022 0.000 0.718 84 K HN 0.316 nan 8.250 nan 0.000 0.443 85 I N 0.713 121.205 120.570 -0.130 0.000 2.286 85 I HA -0.219 3.953 4.170 0.003 0.000 0.248 85 I C 1.909 177.757 176.117 -0.448 0.000 1.115 85 I CA 1.087 62.159 61.300 -0.381 0.000 1.392 85 I CB 0.037 37.753 38.000 -0.474 0.000 1.065 85 I HN -0.066 nan 8.210 nan 0.000 0.418 86 V N -0.539 119.280 119.914 -0.158 0.000 2.307 86 V HA -0.241 3.881 4.120 0.003 0.000 0.245 86 V C 2.467 178.599 176.094 0.064 0.000 1.045 86 V CA 1.699 64.001 62.300 0.003 0.000 1.024 86 V CB -0.408 31.461 31.823 0.076 0.000 0.651 86 V HN 0.263 nan 8.190 nan 0.000 0.449 87 V N -0.716 119.228 119.914 0.051 0.000 2.332 87 V HA -0.322 3.800 4.120 0.003 0.000 0.248 87 V C 2.193 178.343 176.094 0.093 0.000 1.055 87 V CA 2.592 64.936 62.300 0.073 0.000 1.038 87 V CB -0.781 31.081 31.823 0.066 0.000 0.651 87 V HN 0.715 nan 8.190 nan 0.000 0.450 88 Y N -0.316 119.956 120.300 -0.046 0.000 2.145 88 Y HA -0.292 4.259 4.550 0.002 0.000 0.286 88 Y C 2.368 178.343 175.900 0.126 0.000 1.145 88 Y CA 1.816 59.905 58.100 -0.018 0.000 1.148 88 Y CB -0.458 37.923 38.460 -0.133 0.000 0.981 88 Y HN 0.301 nan 8.280 nan 0.000 0.507 89 Y N -1.247 119.142 120.300 0.148 0.000 2.181 89 Y HA -0.284 4.267 4.550 0.002 0.000 0.288 89 Y C 2.329 178.222 175.900 -0.011 0.000 1.146 89 Y CA 0.321 58.465 58.100 0.073 0.000 1.164 89 Y CB -0.164 38.369 38.460 0.123 0.000 0.982 89 Y HN 0.183 nan 8.280 nan 0.000 0.515 90 L N 0.003 121.333 121.223 0.178 0.000 2.017 90 L HA -0.251 4.090 4.340 0.003 0.000 0.208 90 L C 2.234 179.139 176.870 0.058 0.000 1.073 90 L CA 1.713 56.614 54.840 0.102 0.000 0.745 90 L CB -1.371 40.743 42.059 0.091 0.000 0.894 90 L HN 0.325 nan 8.230 nan 0.000 0.432 91 L N -0.878 120.359 121.223 0.024 0.000 2.141 91 L HA -0.190 4.151 4.340 0.003 0.000 0.209 91 L C 2.478 179.354 176.870 0.010 0.000 1.094 91 L CA 1.579 56.432 54.840 0.022 0.000 0.763 91 L CB -0.849 41.215 42.059 0.009 0.000 0.908 91 L HN 0.426 nan 8.230 nan 0.000 0.437 92 T N -4.502 109.983 114.554 -0.114 0.000 2.857 92 T HA -0.091 4.260 4.350 0.003 0.000 0.266 92 T C 1.988 176.711 174.700 0.038 0.000 1.048 92 T CA 1.273 63.313 62.100 -0.099 0.000 1.139 92 T CB -0.258 68.467 68.868 -0.239 0.000 0.874 92 T HN 0.145 nan 8.240 nan 0.000 0.455 93 S N 1.737 117.463 115.700 0.043 0.000 2.406 93 S HA 0.252 4.724 4.470 0.003 0.000 0.228 93 S C 2.578 177.215 174.600 0.063 0.000 1.020 93 S CA 0.687 58.921 58.200 0.057 0.000 0.965 93 S CB -0.610 62.618 63.200 0.047 0.000 0.798 93 S HN 0.727 nan 8.310 nan 0.000 0.488 94 A N 0.431 123.291 122.820 0.067 0.000 1.969 94 A HA 0.041 4.363 4.320 0.003 0.000 0.218 94 A C 1.825 179.434 177.584 0.041 0.000 1.169 94 A CA 0.959 53.025 52.037 0.048 0.000 0.635 94 A CB -0.678 18.350 19.000 0.047 0.000 0.810 94 A HN 0.494 nan 8.150 nan 0.000 0.445 95 F N 0.269 120.198 119.950 -0.035 0.000 2.206 95 F HA 0.050 4.579 4.527 0.002 0.000 0.298 95 F C 2.571 178.340 175.800 -0.051 0.000 1.090 95 F CA 0.920 58.893 58.000 -0.045 0.000 1.323 95 F CB -0.040 38.922 39.000 -0.062 0.000 1.028 95 F HN 0.265 nan 8.300 nan 0.000 0.492 96 A N -0.583 122.340 122.820 0.172 0.000 1.902 96 A HA -0.179 4.142 4.320 0.003 0.000 0.217 96 A C 2.282 179.886 177.584 0.033 0.000 1.181 96 A CA 1.773 53.867 52.037 0.094 0.000 0.623 96 A CB -1.418 17.623 19.000 0.068 0.000 0.818 96 A HN 0.312 nan 8.150 nan 0.000 0.443 97 V N -0.070 119.852 119.914 0.013 0.000 2.307 97 V HA -0.201 3.921 4.120 0.003 0.000 0.245 97 V C 2.419 178.474 176.094 -0.065 0.000 1.045 97 V CA 3.167 65.458 62.300 -0.016 0.000 1.024 97 V CB -1.088 30.734 31.823 -0.001 0.000 0.651 97 V HN 0.613 nan 8.190 nan 0.000 0.449 98 T N 1.184 115.675 114.554 -0.106 0.000 2.759 98 T HA -0.198 4.153 4.350 0.003 0.000 0.269 98 T C 1.799 176.398 174.700 -0.168 0.000 1.042 98 T CA 1.958 63.952 62.100 -0.177 0.000 1.140 98 T CB -0.468 68.213 68.868 -0.312 0.000 0.864 98 T HN 0.384 nan 8.240 nan 0.000 0.455 99 L N 1.508 122.662 121.223 -0.114 0.000 2.093 99 L HA 0.167 4.508 4.340 0.003 0.000 0.208 99 L C 2.565 179.402 176.870 -0.055 0.000 1.085 99 L CA 1.730 56.544 54.840 -0.043 0.000 0.755 99 L CB -1.312 40.783 42.059 0.062 0.000 0.904 99 L HN 0.314 nan 8.230 nan 0.000 0.435 100 G N -0.406 108.354 108.800 -0.066 0.000 2.422 100 G HA2 -0.165 3.796 3.960 0.003 0.000 0.218 100 G HA3 -0.165 3.796 3.960 0.003 0.000 0.218 100 G C 1.503 176.293 174.900 -0.182 0.000 1.140 100 G CA 0.727 45.774 45.100 -0.089 0.000 0.775 100 G HN 0.340 nan 8.290 nan 0.000 0.545 101 I N 1.138 121.567 120.570 -0.235 0.000 2.179 101 I HA -0.102 4.069 4.170 0.003 0.000 0.242 101 I C 2.794 178.678 176.117 -0.388 0.000 1.088 101 I CA 0.903 61.939 61.300 -0.441 0.000 1.357 101 I CB -1.097 36.719 38.000 -0.307 0.000 1.051 101 I HN 0.160 nan 8.210 nan 0.000 0.409 102 I N 0.194 120.641 120.570 -0.204 0.000 2.264 102 I HA -0.319 3.852 4.170 0.003 0.000 0.248 102 I C 2.551 178.633 176.117 -0.059 0.000 1.111 102 I CA 1.215 62.446 61.300 -0.116 0.000 1.382 102 I CB -0.264 37.695 38.000 -0.069 0.000 1.060 102 I HN 0.177 nan 8.210 nan 0.000 0.418 103 M N -0.002 119.576 119.600 -0.036 0.000 2.229 103 M HA -0.069 4.412 4.480 0.003 0.000 0.264 103 M C 2.291 178.655 176.300 0.106 0.000 1.063 103 M CA 1.423 56.774 55.300 0.086 0.000 1.114 103 M CB -1.304 31.322 32.600 0.044 0.000 1.387 103 M HN 0.269 nan 8.290 nan 0.000 0.420 104 A N -0.724 122.041 122.820 -0.092 0.000 2.251 104 A HA 0.044 4.365 4.320 0.003 0.000 0.209 104 A C 2.144 179.699 177.584 -0.048 0.000 1.187 104 A CA 0.418 52.401 52.037 -0.090 0.000 0.823 104 A CB -0.177 18.635 19.000 -0.314 0.000 0.846 104 A HN 0.352 nan 8.150 nan 0.000 0.486 105 R N -1.025 119.427 120.500 -0.080 0.000 2.279 105 R HA 0.258 4.599 4.340 0.003 0.000 0.195 105 R C 1.355 177.677 176.300 0.036 0.000 0.905 105 R CA -0.073 56.037 56.100 0.016 0.000 1.044 105 R CB -0.123 30.161 30.300 -0.027 0.000 1.056 105 R HN 0.361 nan 8.270 nan 0.000 0.535 106 L N 0.325 121.571 121.223 0.038 0.000 2.013 106 L HA 0.098 4.440 4.340 0.003 0.000 0.204 106 L C 0.644 177.473 176.870 -0.068 0.000 1.081 106 L CA 1.362 56.188 54.840 -0.023 0.000 0.751 106 L CB -0.609 41.439 42.059 -0.019 0.000 0.901 106 L HN -0.071 nan 8.230 nan 0.000 0.440 107 F N 0.374 120.335 119.950 0.019 0.000 2.459 107 F HA 0.097 4.626 4.527 0.003 0.000 0.346 107 F C 0.813 176.648 175.800 0.058 0.000 1.128 107 F CA -0.064 57.961 58.000 0.041 0.000 1.268 107 F CB 0.042 39.073 39.000 0.051 0.000 1.161 107 F HN 0.053 nan 8.300 nan 0.000 0.583 108 N N 2.925 121.766 118.700 0.235 0.000 2.898 108 N HA 0.336 5.078 4.740 0.003 0.000 0.245 108 N C -2.791 172.822 175.510 0.172 0.000 1.185 108 N CA -2.050 51.107 53.050 0.178 0.000 0.879 108 N CB 0.569 39.121 38.487 0.108 0.000 1.157 108 N HN 0.063 nan 8.380 nan 0.000 0.503 109 P HA 0.338 nan 4.420 nan 0.000 0.256 109 P C -0.338 176.978 177.300 0.026 0.000 1.689 109 P CA -0.273 62.964 63.100 0.228 0.000 1.124 109 P CB 0.333 32.268 31.700 0.392 0.000 1.766 110 G N 1.720 110.486 108.800 -0.057 0.000 2.681 110 G HA2 0.238 4.200 3.960 0.003 0.000 0.232 110 G HA3 0.238 4.200 3.960 0.003 0.000 0.232 110 G C 0.277 175.112 174.900 -0.107 0.000 3.566 110 G CA 0.054 45.024 45.100 -0.217 0.000 0.726 110 G HN 0.405 nan 8.290 nan 0.000 0.465 111 A N 0.220 123.003 122.820 -0.061 0.000 1.963 111 A HA 0.757 5.078 4.320 0.003 0.000 0.207 111 A C 1.693 179.250 177.584 -0.045 0.000 1.243 111 A CA 1.435 53.450 52.037 -0.037 0.000 0.728 111 A CB -0.207 18.790 19.000 -0.006 0.000 0.895 111 A HN 1.854 nan 8.150 nan 0.000 0.467 112 G N -0.009 108.766 108.800 -0.043 0.000 2.483 112 G HA2 0.454 4.416 3.960 0.003 0.000 0.248 112 G HA3 0.454 4.416 3.960 0.003 0.000 0.248 112 G C -0.165 174.703 174.900 -0.054 0.000 1.248 112 G CA -0.453 44.627 45.100 -0.034 0.000 0.838 112 G HN 0.338 nan 8.290 nan 0.000 0.566 113 I N 0.939 121.487 120.570 -0.037 0.000 2.496 113 I HA 0.181 4.352 4.170 0.003 0.000 0.285 113 I C 1.462 177.562 176.117 -0.028 0.000 1.080 113 I CA -0.374 60.903 61.300 -0.038 0.000 1.404 113 I CB 0.179 38.164 38.000 -0.025 0.000 1.403 113 I HN 0.775 nan 8.210 nan 0.000 0.539 114 H N 5.765 124.815 119.070 -0.034 0.000 3.444 114 H HA 0.367 4.925 4.556 0.003 0.000 0.224 114 H C 1.177 176.513 175.328 0.014 0.000 1.034 114 H CA 0.371 56.412 56.048 -0.012 0.000 1.416 114 H CB -0.853 28.904 29.762 -0.009 0.000 1.591 114 H HN 1.014 nan 8.280 nan 0.000 0.522 115 L N 0.412 121.649 121.223 0.023 0.000 4.500 115 L HA -0.022 4.319 4.340 0.003 0.000 0.053 115 L C 1.694 178.576 176.870 0.021 0.000 3.487 115 L CA 3.620 58.478 54.840 0.030 0.000 1.381 115 L CB -1.615 40.472 42.059 0.047 0.000 3.068 115 L HN 2.404 nan 8.230 nan 0.000 0.850 116 A N -2.648 120.186 122.820 0.024 0.000 2.530 116 A HA 0.874 5.195 4.320 0.003 0.000 0.288 116 A C -0.582 177.014 177.584 0.020 0.000 1.172 116 A CA 0.179 52.227 52.037 0.018 0.000 0.733 116 A CB 1.940 20.950 19.000 0.016 0.000 1.320 116 A HN 2.219 nan 8.150 nan 0.000 0.419 117 V N 0.639 120.562 119.914 0.015 0.000 2.409 117 V HA 0.804 4.926 4.120 0.003 0.000 0.291 117 V C 0.566 176.669 176.094 0.015 0.000 1.020 117 V CA 0.741 63.050 62.300 0.016 0.000 0.848 117 V CB 0.645 32.475 31.823 0.010 0.000 0.990 117 V HN 2.110 nan 8.190 nan 0.000 0.430 129 P HA 0.173 nan 4.420 nan 0.000 0.256 129 P C 0.846 178.179 177.300 0.054 0.000 1.335 129 P CA -0.293 62.824 63.100 0.027 0.000 0.808 129 P CB 0.278 31.990 31.700 0.021 0.000 1.305 130 L N -1.602 119.651 121.223 0.050 0.000 3.415 130 L HA -0.373 3.969 4.340 0.003 0.000 0.185 130 L C 1.711 178.610 176.870 0.047 0.000 4.448 130 L CA 2.400 57.267 54.840 0.044 0.000 0.483 130 L CB -1.772 40.306 42.059 0.032 0.000 3.552 130 L HN -0.042 nan 8.230 nan 0.000 0.712 131 V N -0.536 119.407 119.914 0.050 0.000 2.343 131 V HA -0.265 3.857 4.120 0.003 0.000 0.247 131 V C 2.193 178.308 176.094 0.035 0.000 1.051 131 V CA 2.160 64.481 62.300 0.034 0.000 1.036 131 V CB -0.834 31.008 31.823 0.032 0.000 0.654 131 V HN 0.696 nan 8.190 nan 0.000 0.451 132 H N -0.871 118.193 119.070 -0.010 0.000 2.611 132 H HA 0.148 4.704 4.556 0.000 0.000 0.283 132 H C 1.481 176.801 175.328 -0.014 0.000 1.075 132 H CA 0.676 56.715 56.048 -0.014 0.000 1.184 132 H CB 0.103 29.859 29.762 -0.011 0.000 1.294 132 H HN 0.428 nan 8.280 nan 0.000 0.619 133 I N -1.470 119.145 120.570 0.074 0.000 3.812 133 I HA -0.116 4.056 4.170 0.003 0.000 0.292 133 I C 2.063 178.177 176.117 -0.005 0.000 1.206 133 I CA 0.073 61.401 61.300 0.047 0.000 1.370 133 I CB 0.321 38.350 38.000 0.048 0.000 1.328 133 I HN 0.100 nan 8.210 nan 0.000 0.453 134 L N 0.954 122.168 121.223 -0.014 0.000 2.046 134 L HA -0.196 4.146 4.340 0.003 0.000 0.208 134 L C 2.471 179.288 176.870 -0.088 0.000 1.077 134 L CA 1.521 56.340 54.840 -0.035 0.000 0.747 134 L CB -0.436 41.611 42.059 -0.020 0.000 0.896 134 L HN 0.273 nan 8.230 nan 0.000 0.432 135 L N -0.402 120.752 121.223 -0.115 0.000 2.265 135 L HA -0.209 4.133 4.340 0.003 0.000 0.215 135 L C 1.491 178.248 176.870 -0.189 0.000 1.117 135 L CA 0.809 55.547 54.840 -0.169 0.000 0.782 135 L CB -0.544 41.388 42.059 -0.210 0.000 0.914 135 L HN 0.290 nan 8.230 nan 0.000 0.441 136 D N -0.276 120.035 120.400 -0.149 0.000 2.349 136 D HA -0.002 4.640 4.640 0.003 0.000 0.224 136 D C 2.073 178.312 176.300 -0.101 0.000 1.029 136 D CA 0.562 54.495 54.000 -0.111 0.000 0.879 136 D CB 0.110 40.886 40.800 -0.041 0.000 0.906 136 D HN 0.313 nan 8.370 nan 0.000 0.528 137 I N 0.016 120.505 120.570 -0.135 0.000 2.439 137 I HA -0.107 4.064 4.170 0.003 0.000 0.251 137 I C 0.525 176.455 176.117 -0.310 0.000 1.139 137 I CA 0.475 61.688 61.300 -0.147 0.000 1.438 137 I CB 0.097 38.022 38.000 -0.125 0.000 1.085 137 I HN -0.196 nan 8.210 nan 0.000 0.427 138 V N 4.306 123.944 119.914 -0.460 0.000 2.405 138 V HA 0.152 4.274 4.120 0.003 0.000 0.264 138 V C -1.845 174.134 176.094 -0.192 0.000 1.048 138 V CA -1.382 60.600 62.300 -0.530 0.000 0.966 138 V CB -0.024 31.498 31.823 -0.502 0.000 1.015 138 V HN 0.093 nan 8.190 nan 0.000 0.477 139 P HA 0.209 nan 4.420 nan 0.000 0.274 139 P C 0.494 177.761 177.300 -0.055 0.000 1.237 139 P CA -0.195 62.875 63.100 -0.050 0.000 0.793 139 P CB 0.900 32.575 31.700 -0.042 0.000 0.977 140 T N -3.048 111.469 114.554 -0.061 0.000 3.069 140 T HA 0.157 4.509 4.350 0.003 0.000 0.252 140 T C 0.490 175.153 174.700 -0.061 0.000 1.053 140 T CA -0.112 61.959 62.100 -0.049 0.000 0.964 140 T CB -0.352 68.493 68.868 -0.037 0.000 1.005 140 T HN 0.423 nan 8.240 nan 0.000 0.532 141 N N 1.029 119.667 118.700 -0.103 0.000 2.812 141 N HA 0.258 5.000 4.740 0.003 0.000 0.262 141 N C -2.927 172.424 175.510 -0.265 0.000 1.241 141 N CA -1.407 51.562 53.050 -0.135 0.000 0.854 141 N CB 2.203 40.667 38.487 -0.037 0.000 1.506 141 N HN -0.189 nan 8.380 nan 0.000 0.576 142 P HA 0.046 nan 4.420 nan 0.000 0.218 142 P C 1.171 178.083 177.300 -0.647 0.000 1.149 142 P CA 1.010 63.592 63.100 -0.863 0.000 0.817 142 P CB 0.128 30.708 31.700 -1.867 0.000 0.785 143 F N -0.150 119.606 119.950 -0.324 0.000 2.102 143 F HA -0.063 4.465 4.527 0.002 0.000 0.298 143 F C 2.684 178.382 175.800 -0.169 0.000 1.105 143 F CA 1.300 59.163 58.000 -0.227 0.000 1.239 143 F CB -1.550 37.353 39.000 -0.163 0.000 0.991 143 F HN -0.059 nan 8.300 nan 0.000 0.474 144 G N -0.137 108.685 108.800 0.037 0.000 2.440 144 G HA2 -0.221 3.741 3.960 0.003 0.000 0.218 144 G HA3 -0.221 3.741 3.960 0.003 0.000 0.218 144 G C 1.844 176.721 174.900 -0.039 0.000 1.154 144 G CA 0.903 46.001 45.100 -0.003 0.000 0.767 144 G HN 0.446 nan 8.290 nan 0.000 0.552 145 A N 0.665 123.436 122.820 -0.083 0.000 1.858 145 A HA 0.082 4.403 4.320 0.003 0.000 0.216 145 A C 2.449 179.994 177.584 -0.065 0.000 1.190 145 A CA 1.296 53.290 52.037 -0.071 0.000 0.617 145 A CB -0.523 18.425 19.000 -0.086 0.000 0.827 145 A HN 0.331 nan 8.150 nan 0.000 0.443 146 L N -0.750 120.406 121.223 -0.112 0.000 1.990 146 L HA -0.268 4.073 4.340 0.003 0.000 0.213 146 L C 3.029 179.867 176.870 -0.054 0.000 1.072 146 L CA 1.504 56.280 54.840 -0.106 0.000 0.755 146 L CB -0.667 41.278 42.059 -0.191 0.000 0.889 146 L HN 0.475 nan 8.230 nan 0.000 0.432 147 A N -0.647 122.151 122.820 -0.038 0.000 2.172 147 A HA -0.159 4.163 4.320 0.003 0.000 0.216 147 A C 1.274 178.846 177.584 -0.020 0.000 1.154 147 A CA 1.319 53.343 52.037 -0.023 0.000 0.701 147 A CB -0.637 18.355 19.000 -0.013 0.000 0.789 147 A HN 0.592 nan 8.150 nan 0.000 0.465 148 N N -1.038 117.650 118.700 -0.021 0.000 2.467 148 N HA 0.385 5.127 4.740 0.003 0.000 0.278 148 N C 0.974 176.478 175.510 -0.010 0.000 1.306 148 N CA 0.119 53.160 53.050 -0.015 0.000 0.905 148 N CB 0.720 39.200 38.487 -0.013 0.000 1.236 148 N HN 0.457 nan 8.380 nan 0.000 0.509 149 G N 1.584 110.378 108.800 -0.010 0.000 2.677 149 G HA2 -0.430 3.531 3.960 0.003 0.000 0.321 149 G HA3 -0.430 3.531 3.960 0.003 0.000 0.321 149 G C -0.107 174.797 174.900 0.006 0.000 1.181 149 G CA 0.155 45.254 45.100 -0.002 0.000 0.965 149 G HN 0.471 nan 8.290 nan 0.000 0.548 150 Q N -1.170 118.636 119.800 0.011 0.000 2.453 150 Q HA -0.135 4.206 4.340 0.003 0.000 0.350 150 Q C 1.322 177.346 176.000 0.040 0.000 1.447 150 Q CA 0.393 56.208 55.803 0.019 0.000 0.968 150 Q CB -1.260 27.483 28.738 0.009 0.000 1.175 150 Q HN 0.796 nan 8.270 nan 0.000 0.354 151 V N 0.544 120.486 119.914 0.046 0.000 2.307 151 V HA -0.252 3.869 4.120 0.003 0.000 0.245 151 V C 1.824 177.976 176.094 0.096 0.000 1.045 151 V CA 2.013 64.354 62.300 0.069 0.000 1.024 151 V CB -0.279 31.577 31.823 0.055 0.000 0.651 151 V HN 0.608 nan 8.190 nan 0.000 0.449 152 L N 0.720 121.992 121.223 0.081 0.000 2.012 152 L HA -0.080 4.262 4.340 0.003 0.000 0.210 152 L C -0.139 176.816 176.870 0.141 0.000 1.073 152 L CA 2.521 57.422 54.840 0.102 0.000 0.748 152 L CB -1.718 40.385 42.059 0.072 0.000 0.891 152 L HN 0.277 nan 8.230 nan 0.000 0.431 153 P HA -0.099 nan 4.420 nan 0.000 0.217 153 P C 1.628 179.067 177.300 0.232 0.000 1.150 153 P CA 1.550 64.730 63.100 0.134 0.000 0.832 153 P CB -0.129 31.603 31.700 0.053 0.000 0.787 154 T N -0.326 114.344 114.554 0.192 0.000 2.708 154 T HA -0.121 4.230 4.350 0.003 0.000 0.266 154 T C 1.745 176.644 174.700 0.332 0.000 1.037 154 T CA 1.075 63.331 62.100 0.259 0.000 1.146 154 T CB -0.932 68.053 68.868 0.195 0.000 0.865 154 T HN 0.049 nan 8.240 nan 0.000 0.435 155 I N 0.382 121.111 120.570 0.266 0.000 2.118 155 I HA -0.226 3.945 4.170 0.003 0.000 0.241 155 I C 2.100 178.377 176.117 0.266 0.000 1.070 155 I CA 1.637 63.089 61.300 0.254 0.000 1.327 155 I CB -0.426 37.716 38.000 0.237 0.000 1.034 155 I HN 0.179 nan 8.210 nan 0.000 0.405 156 F N 1.197 121.248 119.950 0.167 0.000 2.046 156 F HA -0.339 4.191 4.527 0.004 0.000 0.297 156 F C 2.323 178.206 175.800 0.139 0.000 1.123 156 F CA 1.851 59.933 58.000 0.137 0.000 1.199 156 F CB -0.633 38.440 39.000 0.122 0.000 0.972 156 F HN 0.009 nan 8.300 nan 0.000 0.474 157 F N 0.951 120.999 119.950 0.164 0.000 2.126 157 F HA -0.133 4.396 4.527 0.003 0.000 0.299 157 F C 2.298 178.101 175.800 0.005 0.000 1.096 157 F CA 1.601 59.633 58.000 0.053 0.000 1.255 157 F CB -1.051 38.031 39.000 0.135 0.000 0.997 157 F HN 0.038 nan 8.300 nan 0.000 0.479 158 A N 0.665 123.529 122.820 0.074 0.000 1.908 158 A HA -0.162 4.160 4.320 0.003 0.000 0.218 158 A C 2.299 179.708 177.584 -0.292 0.000 1.181 158 A CA 2.038 53.998 52.037 -0.127 0.000 0.627 158 A CB -1.211 17.781 19.000 -0.013 0.000 0.818 158 A HN 0.514 nan 8.150 nan 0.000 0.445 159 I N -0.139 120.286 120.570 -0.241 0.000 2.202 159 I HA -0.217 3.954 4.170 0.003 0.000 0.242 159 I C 2.159 178.047 176.117 -0.382 0.000 1.091 159 I CA 0.848 61.972 61.300 -0.293 0.000 1.368 159 I CB -0.306 37.529 38.000 -0.274 0.000 1.058 159 I HN 0.222 nan 8.210 nan 0.000 0.410 160 I N 0.399 120.668 120.570 -0.501 0.000 2.208 160 I HA -0.266 3.906 4.170 0.003 0.000 0.245 160 I C 2.533 178.375 176.117 -0.458 0.000 1.097 160 I CA 1.601 62.599 61.300 -0.503 0.000 1.363 160 I CB -1.177 36.477 38.000 -0.576 0.000 1.051 160 I HN 0.269 nan 8.210 nan 0.000 0.413 161 L N 1.449 122.317 121.223 -0.592 0.000 2.005 161 L HA -0.028 4.314 4.340 0.003 0.000 0.207 161 L C 2.461 179.135 176.870 -0.326 0.000 1.072 161 L CA 2.272 56.805 54.840 -0.513 0.000 0.744 161 L CB -1.324 40.328 42.059 -0.679 0.000 0.895 161 L HN 0.206 nan 8.230 nan 0.000 0.433 162 G N -0.265 108.342 108.800 -0.321 0.000 2.442 162 G HA2 -0.259 3.702 3.960 0.003 0.000 0.219 162 G HA3 -0.259 3.702 3.960 0.003 0.000 0.219 162 G C 1.637 176.434 174.900 -0.172 0.000 1.141 162 G CA 1.280 46.240 45.100 -0.234 0.000 0.763 162 G HN 0.491 nan 8.290 nan 0.000 0.554 163 I N 1.103 121.553 120.570 -0.200 0.000 2.202 163 I HA -0.117 4.055 4.170 0.003 0.000 0.242 163 I C 3.294 179.341 176.117 -0.117 0.000 1.091 163 I CA 0.860 62.072 61.300 -0.145 0.000 1.368 163 I CB -0.234 37.630 38.000 -0.227 0.000 1.058 163 I HN 0.242 nan 8.210 nan 0.000 0.410 164 A N 1.189 123.887 122.820 -0.204 0.000 1.908 164 A HA -0.206 4.116 4.320 0.003 0.000 0.218 164 A C 2.276 179.839 177.584 -0.035 0.000 1.181 164 A CA 1.626 53.566 52.037 -0.162 0.000 0.627 164 A CB -0.898 17.995 19.000 -0.177 0.000 0.818 164 A HN 0.392 nan 8.150 nan 0.000 0.445 165 I N -0.798 119.740 120.570 -0.055 0.000 2.163 165 I HA -0.242 3.930 4.170 0.003 0.000 0.243 165 I C 2.631 178.757 176.117 0.016 0.000 1.085 165 I CA 1.782 63.068 61.300 -0.024 0.000 1.347 165 I CB -0.703 37.264 38.000 -0.054 0.000 1.044 165 I HN 0.242 nan 8.210 nan 0.000 0.408 166 T N -0.176 114.398 114.554 0.033 0.000 2.720 166 T HA -0.217 4.135 4.350 0.003 0.000 0.268 166 T C 1.785 176.533 174.700 0.080 0.000 1.037 166 T CA 1.610 63.738 62.100 0.047 0.000 1.144 166 T CB -0.340 68.556 68.868 0.048 0.000 0.864 166 T HN 0.220 nan 8.240 nan 0.000 0.444 167 Y N 1.060 121.322 120.300 -0.064 0.000 2.224 167 Y HA 0.052 4.604 4.550 0.004 0.000 0.289 167 Y C 2.186 178.062 175.900 -0.041 0.000 1.146 167 Y CA 0.485 58.554 58.100 -0.052 0.000 1.182 167 Y CB -0.525 37.902 38.460 -0.054 0.000 0.983 167 Y HN 0.170 nan 8.280 nan 0.000 0.524 168 L N -0.995 120.300 121.223 0.121 0.000 2.141 168 L HA -0.246 4.095 4.340 0.003 0.000 0.209 168 L C 2.127 179.010 176.870 0.022 0.000 1.094 168 L CA 1.210 56.083 54.840 0.055 0.000 0.763 168 L CB -0.434 41.646 42.059 0.035 0.000 0.908 168 L HN 0.309 nan 8.230 nan 0.000 0.437 169 M N -0.670 118.936 119.600 0.010 0.000 2.492 169 M HA -0.077 4.405 4.480 0.003 0.000 0.262 169 M C 0.668 176.953 176.300 -0.025 0.000 1.090 169 M CA 0.935 56.230 55.300 -0.009 0.000 1.110 169 M CB -0.146 32.445 32.600 -0.015 0.000 1.407 169 M HN 0.208 nan 8.290 nan 0.000 0.470 170 N N 0.708 119.385 118.700 -0.040 0.000 2.251 170 N HA 0.136 4.878 4.740 0.003 0.000 0.217 170 N C 0.166 175.650 175.510 -0.044 0.000 1.124 170 N CA 0.102 53.116 53.050 -0.060 0.000 0.843 170 N CB -0.039 38.381 38.487 -0.112 0.000 1.024 170 N HN 0.210 nan 8.380 nan 0.000 0.501 171 S N 0.228 115.916 115.700 -0.019 0.000 2.564 171 S HA 0.428 4.899 4.470 0.003 0.000 0.278 171 S C 1.483 176.076 174.600 -0.011 0.000 1.333 171 S CA 0.102 58.298 58.200 -0.008 0.000 1.048 171 S CB 0.272 63.477 63.200 0.007 0.000 0.900 171 S HN 0.348 nan 8.310 nan 0.000 0.505 172 E N 1.903 122.098 120.200 -0.009 0.000 2.153 172 E HA -0.126 4.225 4.350 0.003 0.000 0.194 172 E C 0.876 177.473 176.600 -0.005 0.000 0.988 172 E CA 1.197 57.591 56.400 -0.009 0.000 0.811 172 E CB -0.610 29.085 29.700 -0.008 0.000 0.746 172 E HN 0.799 nan 8.360 nan 0.000 0.466 173 N N 1.148 119.847 118.700 -0.001 0.000 2.431 173 N HA -0.014 4.728 4.740 0.003 0.000 0.265 173 N C 0.337 175.848 175.510 0.001 0.000 1.184 173 N CA 0.045 53.096 53.050 0.001 0.000 0.943 173 N CB 1.043 39.533 38.487 0.005 0.000 1.080 173 N HN 0.131 nan 8.380 nan 0.000 0.477 174 E N 2.620 122.820 120.200 0.000 0.000 2.481 174 E HA -0.079 4.273 4.350 0.003 0.000 0.195 174 E C 0.970 177.571 176.600 0.002 0.000 1.047 174 E CA 0.246 56.646 56.400 -0.000 0.000 0.867 174 E CB 0.165 29.864 29.700 -0.002 0.000 0.858 174 E HN 0.678 nan 8.360 nan 0.000 0.513 175 K N 1.037 121.440 120.400 0.004 0.000 2.116 175 K HA -0.050 4.272 4.320 0.003 0.000 0.203 175 K C 2.147 178.752 176.600 0.009 0.000 1.052 175 K CA 1.048 57.339 56.287 0.007 0.000 0.952 175 K CB 0.012 32.517 32.500 0.008 0.000 0.729 175 K HN 0.056 nan 8.250 nan 0.000 0.446 176 V N 1.146 121.066 119.914 0.009 0.000 2.427 176 V HA -0.226 3.896 4.120 0.003 0.000 0.248 176 V C 2.559 178.658 176.094 0.010 0.000 1.051 176 V CA 2.697 65.004 62.300 0.012 0.000 1.048 176 V CB -1.329 30.502 31.823 0.014 0.000 0.666 176 V HN 0.399 nan 8.190 nan 0.000 0.456 177 R N 0.261 120.765 120.500 0.006 0.000 2.096 177 R HA -0.087 4.254 4.340 0.003 0.000 0.235 177 R C 2.544 178.845 176.300 0.002 0.000 1.127 177 R CA 2.927 59.029 56.100 0.002 0.000 0.968 177 R CB -1.494 28.804 30.300 -0.003 0.000 0.861 177 R HN 0.840 nan 8.270 nan 0.000 0.440 178 K N 0.964 121.367 120.400 0.004 0.000 1.985 178 K HA -0.123 4.198 4.320 0.003 0.000 0.210 178 K C 2.554 179.159 176.600 0.009 0.000 1.047 178 K CA 2.113 58.403 56.287 0.005 0.000 0.932 178 K CB -1.183 31.320 32.500 0.006 0.000 0.716 178 K HN 0.769 nan 8.250 nan 0.000 0.439 179 S N 0.660 116.367 115.700 0.012 0.000 2.419 179 S HA 0.085 4.557 4.470 0.003 0.000 0.233 179 S C 2.477 177.088 174.600 0.018 0.000 1.016 179 S CA 1.062 59.272 58.200 0.017 0.000 0.974 179 S CB -0.357 62.855 63.200 0.020 0.000 0.786 179 S HN 0.762 nan 8.310 nan 0.000 0.492 180 A N 1.771 124.599 122.820 0.013 0.000 1.897 180 A HA 0.133 4.455 4.320 0.003 0.000 0.215 180 A C 2.316 179.903 177.584 0.005 0.000 1.181 180 A CA 1.693 53.736 52.037 0.010 0.000 0.620 180 A CB -1.401 17.604 19.000 0.008 0.000 0.821 180 A HN 0.679 nan 8.150 nan 0.000 0.443 181 E N -0.570 119.632 120.200 0.003 0.000 2.106 181 E HA -0.127 4.225 4.350 0.003 0.000 0.192 181 E C 1.988 178.591 176.600 0.005 0.000 0.984 181 E CA 1.853 58.253 56.400 -0.000 0.000 0.806 181 E CB -1.616 28.083 29.700 -0.002 0.000 0.750 181 E HN 0.621 nan 8.360 nan 0.000 0.458 182 T N 0.700 115.261 114.554 0.011 0.000 2.652 182 T HA -0.142 4.209 4.350 0.003 0.000 0.267 182 T C 2.092 176.806 174.700 0.023 0.000 1.039 182 T CA 1.560 63.670 62.100 0.017 0.000 1.153 182 T CB -0.449 68.431 68.868 0.020 0.000 0.863 182 T HN 0.362 nan 8.240 nan 0.000 0.428 183 L N 0.896 122.134 121.223 0.027 0.000 2.042 183 L HA -0.008 4.334 4.340 0.003 0.000 0.210 183 L C 2.218 179.103 176.870 0.026 0.000 1.076 183 L CA 1.519 56.382 54.840 0.037 0.000 0.749 183 L CB -0.776 41.309 42.059 0.043 0.000 0.893 183 L HN 0.155 nan 8.230 nan 0.000 0.432 184 L N -0.314 120.913 121.223 0.006 0.000 2.046 184 L HA -0.209 4.133 4.340 0.003 0.000 0.208 184 L C 2.107 178.974 176.870 -0.005 0.000 1.077 184 L CA 1.883 56.715 54.840 -0.014 0.000 0.747 184 L CB -0.977 41.067 42.059 -0.024 0.000 0.896 184 L HN 0.356 nan 8.230 nan 0.000 0.432 185 D N -0.329 120.075 120.400 0.006 0.000 2.084 185 D HA -0.158 4.484 4.640 0.003 0.000 0.194 185 D C 2.176 178.491 176.300 0.025 0.000 0.990 185 D CA 1.601 55.608 54.000 0.013 0.000 0.826 185 D CB -0.155 40.653 40.800 0.014 0.000 0.971 185 D HN 0.465 nan 8.370 nan 0.000 0.453 186 A N 0.774 123.614 122.820 0.033 0.000 1.908 186 A HA -0.161 4.161 4.320 0.003 0.000 0.218 186 A C 2.417 180.036 177.584 0.058 0.000 1.181 186 A CA 0.998 53.063 52.037 0.047 0.000 0.627 186 A CB -0.739 18.293 19.000 0.054 0.000 0.818 186 A HN 0.215 nan 8.150 nan 0.000 0.445 187 I N -0.358 120.244 120.570 0.054 0.000 2.226 187 I HA -0.255 3.917 4.170 0.003 0.000 0.245 187 I C 2.440 178.577 176.117 0.033 0.000 1.100 187 I CA 1.653 62.984 61.300 0.052 0.000 1.374 187 I CB -0.373 37.628 38.000 0.002 0.000 1.057 187 I HN 0.430 nan 8.210 nan 0.000 0.413 188 N N 1.212 119.924 118.700 0.019 0.000 2.120 188 N HA -0.140 4.601 4.740 0.003 0.000 0.188 188 N C 1.883 177.428 175.510 0.059 0.000 1.024 188 N CA 1.725 54.794 53.050 0.031 0.000 0.852 188 N CB -0.430 38.067 38.487 0.017 0.000 1.003 188 N HN 0.295 nan 8.380 nan 0.000 0.424 189 G N 0.628 109.460 108.800 0.053 0.000 2.446 189 G HA2 -0.244 3.718 3.960 0.003 0.000 0.217 189 G HA3 -0.244 3.718 3.960 0.003 0.000 0.217 189 G C 1.467 176.410 174.900 0.071 0.000 1.168 189 G CA 1.060 46.196 45.100 0.059 0.000 0.771 189 G HN 0.380 nan 8.290 nan 0.000 0.551 190 L N 1.337 122.603 121.223 0.072 0.000 2.017 190 L HA 0.166 4.508 4.340 0.003 0.000 0.208 190 L C 3.102 180.016 176.870 0.073 0.000 1.073 190 L CA 2.231 57.116 54.840 0.075 0.000 0.745 190 L CB -0.810 41.304 42.059 0.093 0.000 0.894 190 L HN 0.241 nan 8.230 nan 0.000 0.432 191 A N -0.756 122.114 122.820 0.083 0.000 1.883 191 A HA -0.280 4.041 4.320 0.003 0.000 0.217 191 A C 2.263 179.968 177.584 0.203 0.000 1.186 191 A CA 1.948 54.043 52.037 0.097 0.000 0.624 191 A CB -0.828 18.251 19.000 0.131 0.000 0.822 191 A HN 0.528 nan 8.150 nan 0.000 0.444 192 E N -0.287 120.052 120.200 0.232 0.000 2.204 192 E HA 0.000 4.352 4.350 0.003 0.000 0.194 192 E C 1.992 178.718 176.600 0.210 0.000 0.989 192 E CA 1.156 57.722 56.400 0.277 0.000 0.824 192 E CB -0.344 29.444 29.700 0.148 0.000 0.756 192 E HN 0.537 nan 8.360 nan 0.000 0.477 193 A N -0.051 122.844 122.820 0.125 0.000 1.929 193 A HA -0.127 4.195 4.320 0.003 0.000 0.216 193 A C 1.914 179.536 177.584 0.062 0.000 1.176 193 A CA 1.402 53.489 52.037 0.084 0.000 0.628 193 A CB -0.295 18.740 19.000 0.058 0.000 0.816 193 A HN 0.194 nan 8.150 nan 0.000 0.444 194 M N -1.333 118.275 119.600 0.013 0.000 2.229 194 M HA -0.051 4.431 4.480 0.003 0.000 0.264 194 M C 1.874 178.128 176.300 -0.075 0.000 1.063 194 M CA 0.938 56.198 55.300 -0.067 0.000 1.114 194 M CB -1.764 30.743 32.600 -0.155 0.000 1.387 194 M HN 0.563 nan 8.290 nan 0.000 0.420 195 Y N 1.118 121.446 120.300 0.047 0.000 2.293 195 Y HA -0.213 4.339 4.550 0.003 0.000 0.291 195 Y C 2.795 178.715 175.900 0.034 0.000 1.137 195 Y CA 2.032 60.158 58.100 0.043 0.000 1.202 195 Y CB -0.732 37.758 38.460 0.050 0.000 0.990 195 Y HN 0.406 nan 8.280 nan 0.000 0.537 196 K N 0.662 121.170 120.400 0.179 0.000 2.155 196 K HA -0.031 4.290 4.320 0.003 0.000 0.203 196 K C 1.586 178.235 176.600 0.081 0.000 1.052 196 K CA 1.633 57.988 56.287 0.113 0.000 0.948 196 K CB -1.119 31.435 32.500 0.089 0.000 0.728 196 K HN 0.469 nan 8.250 nan 0.000 0.448 197 I N 0.075 120.683 120.570 0.064 0.000 2.406 197 I HA -0.125 4.046 4.170 0.003 0.000 0.249 197 I C 2.445 178.590 176.117 0.047 0.000 1.122 197 I CA 0.780 62.106 61.300 0.043 0.000 1.431 197 I CB 0.077 38.089 38.000 0.020 0.000 1.087 197 I HN 0.192 nan 8.210 nan 0.000 0.424 198 V N 1.520 121.463 119.914 0.048 0.000 2.490 198 V HA -0.249 3.872 4.120 0.003 0.000 0.250 198 V C 2.217 178.360 176.094 0.081 0.000 1.061 198 V CA 2.068 64.402 62.300 0.056 0.000 1.064 198 V CB -0.588 31.262 31.823 0.046 0.000 0.670 198 V HN 0.434 nan 8.190 nan 0.000 0.461 199 N N 1.101 119.852 118.700 0.084 0.000 2.094 199 N HA -0.133 4.608 4.740 0.003 0.000 0.191 199 N C 1.782 177.335 175.510 0.072 0.000 1.023 199 N CA 1.940 55.034 53.050 0.073 0.000 0.857 199 N CB -0.884 37.644 38.487 0.069 0.000 1.013 199 N HN 0.627 nan 8.380 nan 0.000 0.426 200 G N 0.817 109.660 108.800 0.072 0.000 2.394 200 G HA2 -0.087 3.875 3.960 0.003 0.000 0.215 200 G HA3 -0.087 3.875 3.960 0.003 0.000 0.215 200 G C 1.757 176.716 174.900 0.098 0.000 1.165 200 G CA 1.089 46.233 45.100 0.074 0.000 0.784 200 G HN 0.360 nan 8.290 nan 0.000 0.535 201 V N 0.755 120.735 119.914 0.110 0.000 2.720 201 V HA 0.020 4.142 4.120 0.003 0.000 0.256 201 V C 2.470 178.735 176.094 0.284 0.000 1.082 201 V CA 2.110 64.515 62.300 0.174 0.000 1.101 201 V CB -0.341 31.550 31.823 0.113 0.000 0.693 201 V HN 0.262 nan 8.190 nan 0.000 0.479 202 M N -1.220 118.498 119.600 0.196 0.000 2.619 202 M HA 0.017 4.498 4.480 0.003 0.000 0.251 202 M C 1.983 178.322 176.300 0.064 0.000 1.106 202 M CA 0.869 56.271 55.300 0.170 0.000 1.086 202 M CB 0.141 32.806 32.600 0.110 0.000 1.465 202 M HN 0.653 nan 8.290 nan 0.000 0.506 203 Q N -0.997 118.840 119.800 0.061 0.000 2.245 203 Q HA -0.091 4.251 4.340 0.003 0.000 0.201 203 Q C 1.573 177.550 176.000 -0.039 0.000 0.955 203 Q CA 1.155 56.933 55.803 -0.041 0.000 0.870 203 Q CB -0.186 28.540 28.738 -0.021 0.000 0.945 203 Q HN 0.523 nan 8.270 nan 0.000 0.461 204 Y N -0.470 119.803 120.300 -0.044 0.000 2.517 204 Y HA 0.204 4.756 4.550 0.003 0.000 0.281 204 Y C 1.737 177.515 175.900 -0.204 0.000 1.125 204 Y CA 0.489 58.556 58.100 -0.054 0.000 1.283 204 Y CB -0.258 38.252 38.460 0.083 0.000 1.042 204 Y HN 0.121 nan 8.280 nan 0.000 0.547 205 A N 1.875 124.520 122.820 -0.292 0.000 1.896 205 A HA -0.260 4.062 4.320 0.003 0.000 0.220 205 A C 0.029 177.209 177.584 -0.673 0.000 1.206 205 A CA 2.254 53.831 52.037 -0.767 0.000 0.647 205 A CB -2.102 16.696 19.000 -0.337 0.000 0.828 205 A HN 0.443 nan 8.150 nan 0.000 0.455 206 P HA -0.159 nan 4.420 nan 0.000 0.216 206 P C 1.305 178.404 177.300 -0.336 0.000 1.153 206 P CA 1.392 64.300 63.100 -0.320 0.000 0.858 206 P CB -0.231 31.310 31.700 -0.266 0.000 0.789 207 I N 0.046 120.306 120.570 -0.515 0.000 2.252 207 I HA -0.087 4.084 4.170 0.003 0.000 0.245 207 I C 2.797 178.672 176.117 -0.404 0.000 1.102 207 I CA 1.855 62.852 61.300 -0.506 0.000 1.385 207 I CB -1.520 36.027 38.000 -0.755 0.000 1.064 207 I HN -0.043 nan 8.210 nan 0.000 0.414 208 G N 0.227 108.615 108.800 -0.687 0.000 2.418 208 G HA2 -0.161 3.801 3.960 0.003 0.000 0.217 208 G HA3 -0.161 3.801 3.960 0.003 0.000 0.217 208 G C 1.755 176.524 174.900 -0.218 0.000 1.158 208 G CA 0.978 45.854 45.100 -0.374 0.000 0.771 208 G HN 0.245 nan 8.290 nan 0.000 0.545 209 V N 0.625 120.334 119.914 -0.342 0.000 2.237 209 V HA -0.164 3.958 4.120 0.003 0.000 0.245 209 V C 2.312 178.409 176.094 0.005 0.000 1.046 209 V CA 2.045 64.276 62.300 -0.115 0.000 1.007 209 V CB -0.787 30.968 31.823 -0.113 0.000 0.638 209 V HN 0.408 nan 8.190 nan 0.000 0.445 210 F N 1.532 121.408 119.950 -0.123 0.000 2.063 210 F HA -0.358 4.171 4.527 0.003 0.000 0.298 210 F C 2.250 178.051 175.800 0.000 0.000 1.105 210 F CA 2.388 60.349 58.000 -0.065 0.000 1.215 210 F CB -0.549 38.386 39.000 -0.108 0.000 0.972 210 F HN 0.092 nan 8.300 nan 0.000 0.483 211 A N 0.290 123.126 122.820 0.027 0.000 1.969 211 A HA -0.081 4.241 4.320 0.003 0.000 0.218 211 A C 2.283 179.868 177.584 0.002 0.000 1.169 211 A CA 1.631 53.672 52.037 0.007 0.000 0.635 211 A CB -1.009 18.134 19.000 0.239 0.000 0.810 211 A HN 0.557 nan 8.150 nan 0.000 0.445 212 L N -0.706 120.543 121.223 0.043 0.000 2.095 212 L HA -0.116 4.225 4.340 0.003 0.000 0.204 212 L C 2.250 179.161 176.870 0.069 0.000 1.080 212 L CA 1.146 56.041 54.840 0.093 0.000 0.759 212 L CB -0.439 41.698 42.059 0.130 0.000 0.914 212 L HN 0.473 nan 8.230 nan 0.000 0.439 213 I N -1.125 119.454 120.570 0.014 0.000 2.617 213 I HA -0.039 4.133 4.170 0.003 0.000 0.256 213 I C 2.675 178.764 176.117 -0.048 0.000 1.167 213 I CA 1.051 62.352 61.300 0.003 0.000 1.469 213 I CB -0.936 37.089 38.000 0.041 0.000 1.098 213 I HN 0.009 nan 8.210 nan 0.000 0.436 214 A N 0.804 123.538 122.820 -0.142 0.000 1.917 214 A HA -0.274 4.048 4.320 0.003 0.000 0.219 214 A C 2.423 180.013 177.584 0.009 0.000 1.182 214 A CA 2.036 53.968 52.037 -0.176 0.000 0.633 214 A CB -1.178 17.578 19.000 -0.405 0.000 0.819 214 A HN 0.546 nan 8.150 nan 0.000 0.448 215 Y N 0.634 120.900 120.300 -0.057 0.000 2.133 215 Y HA -0.142 4.410 4.550 0.003 0.000 0.287 215 Y C 2.457 178.366 175.900 0.016 0.000 1.134 215 Y CA 1.729 59.832 58.100 0.005 0.000 1.133 215 Y CB -0.640 37.831 38.460 0.019 0.000 0.987 215 Y HN 0.053 nan 8.280 nan 0.000 0.502 216 V N -0.030 119.807 119.914 -0.129 0.000 2.332 216 V HA -0.349 3.773 4.120 0.003 0.000 0.248 216 V C 2.369 178.369 176.094 -0.157 0.000 1.055 216 V CA 2.165 64.338 62.300 -0.212 0.000 1.038 216 V CB -0.758 31.008 31.823 -0.096 0.000 0.651 216 V HN 0.372 nan 8.190 nan 0.000 0.450 217 M N 0.400 119.951 119.600 -0.081 0.000 2.132 217 M HA 0.061 4.543 4.480 0.003 0.000 0.263 217 M C 1.831 178.115 176.300 -0.027 0.000 1.065 217 M CA 1.704 56.980 55.300 -0.041 0.000 1.122 217 M CB -0.841 31.748 32.600 -0.018 0.000 1.365 217 M HN 0.288 nan 8.290 nan 0.000 0.411 218 A N -1.220 121.582 122.820 -0.029 0.000 2.412 218 A HA 0.106 4.428 4.320 0.003 0.000 0.253 218 A C 1.656 179.233 177.584 -0.011 0.000 1.334 218 A CA 0.544 52.597 52.037 0.027 0.000 0.929 218 A CB -0.408 18.646 19.000 0.090 0.000 0.983 218 A HN 0.479 nan 8.150 nan 0.000 0.508 219 E N -1.921 118.222 120.200 -0.095 0.000 2.926 219 E HA 0.021 4.373 4.350 0.003 0.000 0.232 219 E C 1.199 177.783 176.600 -0.028 0.000 1.095 219 E CA 0.378 56.702 56.400 -0.128 0.000 1.755 219 E CB 0.202 29.602 29.700 -0.501 0.000 2.411 219 E HN 0.661 nan 8.360 nan 0.000 1.046 220 Q N -0.565 119.188 119.800 -0.078 0.000 2.353 220 Q HA 0.212 4.553 4.340 0.003 0.000 0.240 220 Q C 1.706 177.731 176.000 0.043 0.000 0.868 220 Q CA 0.571 56.362 55.803 -0.020 0.000 0.944 220 Q CB 1.133 29.808 28.738 -0.106 0.000 1.104 220 Q HN 0.157 nan 8.270 nan 0.000 0.531 221 G N 1.269 110.073 108.800 0.007 0.000 2.422 221 G HA2 -0.138 3.823 3.960 0.003 0.000 0.218 221 G HA3 -0.138 3.823 3.960 0.003 0.000 0.218 221 G C 1.253 176.170 174.900 0.029 0.000 1.140 221 G CA 0.998 46.104 45.100 0.011 0.000 0.775 221 G HN 0.330 nan 8.290 nan 0.000 0.545 222 V N -0.139 119.796 119.914 0.034 0.000 3.413 222 V HA 0.322 4.443 4.120 0.003 0.000 0.344 222 V C 1.112 177.070 176.094 -0.226 0.000 1.225 222 V CA 0.632 62.907 62.300 -0.040 0.000 1.324 222 V CB -0.832 30.965 31.823 -0.043 0.000 1.161 222 V HN 0.470 nan 8.190 nan 0.000 0.432 223 H N -1.007 118.054 119.070 -0.015 0.000 3.650 223 H HA 0.187 4.744 4.556 0.003 0.000 0.260 223 H C 0.160 175.478 175.328 -0.016 0.000 1.194 223 H CA 0.370 56.406 56.048 -0.020 0.000 1.135 223 H CB 1.584 31.325 29.762 -0.035 0.000 1.612 223 H HN 0.361 nan 8.280 nan 0.000 0.703 224 V N 2.785 122.741 119.914 0.071 0.000 2.055 224 V HA 0.324 4.446 4.120 0.003 0.000 0.248 224 V C 0.628 176.739 176.094 0.028 0.000 1.476 224 V CA 0.001 62.322 62.300 0.036 0.000 1.417 224 V CB -0.322 31.506 31.823 0.009 0.000 1.465 224 V HN 0.218 nan 8.190 nan 0.000 0.502 225 V N 1.778 121.715 119.914 0.038 0.000 2.841 225 V HA 0.972 5.093 4.120 0.003 0.000 0.310 225 V C 0.684 176.809 176.094 0.051 0.000 1.090 225 V CA -0.062 62.259 62.300 0.034 0.000 0.930 225 V CB 1.592 33.425 31.823 0.015 0.000 1.014 225 V HN 0.825 nan 8.190 nan 0.000 0.425 226 G N 2.484 111.316 108.800 0.053 0.000 2.536 226 G HA2 -0.221 3.741 3.960 0.003 0.000 0.280 226 G HA3 -0.221 3.741 3.960 0.003 0.000 0.280 226 G C 0.765 175.721 174.900 0.094 0.000 1.152 226 G CA 0.637 45.777 45.100 0.067 0.000 0.970 226 G HN 1.110 nan 8.290 nan 0.000 0.549 227 E N 0.560 120.833 120.200 0.122 0.000 2.204 227 E HA 0.008 4.360 4.350 0.003 0.000 0.195 227 E C 2.814 179.543 176.600 0.215 0.000 0.990 227 E CA 1.175 57.688 56.400 0.188 0.000 0.821 227 E CB -0.135 29.698 29.700 0.222 0.000 0.750 227 E HN 0.530 nan 8.360 nan 0.000 0.477 228 L N -0.127 121.177 121.223 0.135 0.000 2.217 228 L HA -0.045 4.297 4.340 0.003 0.000 0.211 228 L C 2.413 179.297 176.870 0.024 0.000 1.107 228 L CA 0.731 55.598 54.840 0.045 0.000 0.783 228 L CB -0.348 41.728 42.059 0.028 0.000 0.919 228 L HN 0.022 nan 8.230 nan 0.000 0.442 229 A N 0.057 122.905 122.820 0.047 0.000 1.929 229 A HA -0.153 4.169 4.320 0.003 0.000 0.216 229 A C 2.335 179.938 177.584 0.031 0.000 1.176 229 A CA 1.175 53.230 52.037 0.030 0.000 0.628 229 A CB -0.194 18.829 19.000 0.038 0.000 0.816 229 A HN 0.241 nan 8.150 nan 0.000 0.444 230 K N -0.668 119.778 120.400 0.076 0.000 2.057 230 K HA -0.069 4.253 4.320 0.003 0.000 0.207 230 K C 1.868 178.474 176.600 0.009 0.000 1.049 230 K CA 1.357 57.704 56.287 0.100 0.000 0.931 230 K CB -0.336 32.273 32.500 0.182 0.000 0.714 230 K HN 0.282 nan 8.250 nan 0.000 0.440 231 V N 1.030 120.967 119.914 0.038 0.000 2.548 231 V HA -0.188 3.934 4.120 0.003 0.000 0.249 231 V C 1.707 177.752 176.094 -0.081 0.000 1.055 231 V CA 1.955 64.241 62.300 -0.023 0.000 1.065 231 V CB -0.186 31.569 31.823 -0.114 0.000 0.681 231 V HN 0.379 nan 8.190 nan 0.000 0.462 232 T N 0.369 114.896 114.554 -0.044 0.000 2.857 232 T HA -0.037 4.314 4.350 0.003 0.000 0.266 232 T C 1.973 176.684 174.700 0.019 0.000 1.048 232 T CA 1.367 63.489 62.100 0.037 0.000 1.139 232 T CB -0.378 68.511 68.868 0.035 0.000 0.874 232 T HN 0.609 nan 8.240 nan 0.000 0.455 233 A N 1.442 124.185 122.820 -0.129 0.000 1.930 233 A HA 0.220 4.541 4.320 0.003 0.000 0.217 233 A C 2.615 179.834 177.584 -0.608 0.000 1.175 233 A CA 1.659 53.540 52.037 -0.261 0.000 0.627 233 A CB -0.984 17.883 19.000 -0.223 0.000 0.815 233 A HN 0.492 nan 8.150 nan 0.000 0.443 234 A N -0.545 121.790 122.820 -0.808 0.000 1.930 234 A HA 0.057 4.379 4.320 0.003 0.000 0.217 234 A C 2.223 179.637 177.584 -0.284 0.000 1.175 234 A CA 1.684 53.236 52.037 -0.807 0.000 0.627 234 A CB -0.820 17.903 19.000 -0.461 0.000 0.815 234 A HN 0.339 nan 8.150 nan 0.000 0.443 235 V N -1.598 118.231 119.914 -0.142 0.000 2.244 235 V HA -0.272 3.850 4.120 0.003 0.000 0.244 235 V C 2.343 178.405 176.094 -0.053 0.000 1.042 235 V CA 2.035 64.300 62.300 -0.058 0.000 1.006 235 V CB -1.117 30.705 31.823 -0.001 0.000 0.641 235 V HN 0.633 nan 8.190 nan 0.000 0.446 236 Y N -0.515 119.750 120.300 -0.058 0.000 2.224 236 Y HA -0.171 4.381 4.550 0.003 0.000 0.289 236 Y C 2.519 178.414 175.900 -0.010 0.000 1.146 236 Y CA 1.789 59.883 58.100 -0.009 0.000 1.182 236 Y CB -0.351 38.111 38.460 0.004 0.000 0.983 236 Y HN 0.043 nan 8.280 nan 0.000 0.524 237 V N -0.690 119.283 119.914 0.098 0.000 2.667 237 V HA -0.149 3.972 4.120 0.003 0.000 0.252 237 V C 2.204 178.333 176.094 0.058 0.000 1.065 237 V CA 1.980 64.333 62.300 0.088 0.000 1.083 237 V CB -0.808 31.097 31.823 0.136 0.000 0.692 237 V HN 0.507 nan 8.190 nan 0.000 0.468 238 G N -0.491 108.321 108.800 0.020 0.000 2.403 238 G HA2 -0.158 3.803 3.960 0.003 0.000 0.216 238 G HA3 -0.158 3.803 3.960 0.003 0.000 0.216 238 G C 1.482 176.376 174.900 -0.011 0.000 1.154 238 G CA 0.907 46.010 45.100 0.006 0.000 0.784 238 G HN 0.518 nan 8.290 nan 0.000 0.538 239 L N 0.549 121.755 121.223 -0.028 0.000 2.093 239 L HA -0.034 4.308 4.340 0.003 0.000 0.208 239 L C 3.106 179.976 176.870 -0.001 0.000 1.085 239 L CA 1.350 56.170 54.840 -0.033 0.000 0.755 239 L CB -0.658 41.336 42.059 -0.107 0.000 0.904 239 L HN 0.126 nan 8.230 nan 0.000 0.435 240 T N 0.066 114.631 114.554 0.019 0.000 2.777 240 T HA -0.131 4.220 4.350 0.003 0.000 0.266 240 T C 1.830 176.510 174.700 -0.033 0.000 1.040 240 T CA 1.106 63.211 62.100 0.008 0.000 1.141 240 T CB -0.179 68.709 68.868 0.033 0.000 0.868 240 T HN 0.066 nan 8.240 nan 0.000 0.444 241 L N 0.967 122.179 121.223 -0.017 0.000 2.376 241 L HA 0.040 4.382 4.340 0.003 0.000 0.219 241 L C 2.520 179.348 176.870 -0.069 0.000 1.133 241 L CA 1.054 55.877 54.840 -0.028 0.000 0.816 241 L CB -0.457 41.609 42.059 0.013 0.000 0.933 241 L HN 0.179 nan 8.230 nan 0.000 0.449 242 Q N 0.014 119.756 119.800 -0.097 0.000 2.049 242 Q HA -0.127 4.215 4.340 0.003 0.000 0.198 242 Q C 2.146 177.906 176.000 -0.401 0.000 0.971 242 Q CA 1.727 57.392 55.803 -0.231 0.000 0.833 242 Q CB -0.129 28.495 28.738 -0.190 0.000 0.896 242 Q HN 0.500 nan 8.270 nan 0.000 0.434 243 I N -0.046 120.417 120.570 -0.179 0.000 2.179 243 I HA -0.277 3.895 4.170 0.003 0.000 0.242 243 I C 2.061 178.164 176.117 -0.023 0.000 1.088 243 I CA 1.083 62.398 61.300 0.023 0.000 1.357 243 I CB -0.280 37.799 38.000 0.132 0.000 1.051 243 I HN 0.240 nan 8.210 nan 0.000 0.409 244 L N -0.359 120.772 121.223 -0.153 0.000 2.068 244 L HA -0.141 4.201 4.340 0.003 0.000 0.204 244 L C 2.440 179.290 176.870 -0.032 0.000 1.076 244 L CA 0.795 55.532 54.840 -0.173 0.000 0.753 244 L CB -0.487 41.446 42.059 -0.211 0.000 0.910 244 L HN 0.263 nan 8.230 nan 0.000 0.439 245 L N -0.615 120.565 121.223 -0.072 0.000 2.240 245 L HA -0.063 4.279 4.340 0.003 0.000 0.211 245 L C 2.112 178.889 176.870 -0.155 0.000 1.106 245 L CA 1.216 56.014 54.840 -0.069 0.000 0.793 245 L CB -0.185 41.853 42.059 -0.034 0.000 0.927 245 L HN 0.125 nan 8.230 nan 0.000 0.446 246 V N -2.256 117.510 119.914 -0.247 0.000 2.602 246 V HA -0.122 3.999 4.120 0.003 0.000 0.235 246 V C 2.098 178.132 176.094 -0.100 0.000 1.087 246 V CA 0.459 62.550 62.300 -0.348 0.000 1.117 246 V CB -0.645 30.831 31.823 -0.578 0.000 0.820 246 V HN 0.165 nan 8.190 nan 0.000 0.490 247 Y N -0.699 119.626 120.300 0.041 0.000 2.109 247 Y HA -0.164 4.388 4.550 0.002 0.000 0.285 247 Y C 2.470 178.420 175.900 0.084 0.000 1.131 247 Y CA 1.758 59.901 58.100 0.071 0.000 1.121 247 Y CB -0.474 38.063 38.460 0.129 0.000 0.987 247 Y HN 0.089 nan 8.280 nan 0.000 0.495 248 F N -0.384 119.623 119.950 0.096 0.000 2.161 248 F HA -0.272 4.256 4.527 0.003 0.000 0.300 248 F C 2.256 178.063 175.800 0.012 0.000 1.089 248 F CA 0.918 58.940 58.000 0.038 0.000 1.282 248 F CB -0.359 38.668 39.000 0.045 0.000 1.010 248 F HN -0.136 nan 8.300 nan 0.000 0.485 249 V N -0.580 119.436 119.914 0.172 0.000 2.323 249 V HA -0.269 3.852 4.120 0.003 0.000 0.244 249 V C 2.086 178.217 176.094 0.061 0.000 1.041 249 V CA 1.370 63.717 62.300 0.078 0.000 1.025 249 V CB -0.468 31.371 31.823 0.026 0.000 0.656 249 V HN 0.193 nan 8.190 nan 0.000 0.451 250 L N -0.771 120.499 121.223 0.079 0.000 2.217 250 L HA -0.029 4.313 4.340 0.003 0.000 0.211 250 L C 2.053 179.011 176.870 0.146 0.000 1.107 250 L CA 1.605 56.527 54.840 0.136 0.000 0.783 250 L CB -0.504 41.651 42.059 0.161 0.000 0.919 250 L HN 0.226 nan 8.230 nan 0.000 0.442 251 L N -1.371 119.859 121.223 0.011 0.000 2.109 251 L HA -0.183 4.159 4.340 0.003 0.000 0.207 251 L C 2.471 179.325 176.870 -0.025 0.000 1.086 251 L CA 0.863 55.652 54.840 -0.086 0.000 0.760 251 L CB -0.385 41.487 42.059 -0.311 0.000 0.910 251 L HN 0.131 nan 8.230 nan 0.000 0.437 252 K N 0.869 121.252 120.400 -0.028 0.000 2.057 252 K HA -0.172 4.149 4.320 0.003 0.000 0.207 252 K C 1.983 178.577 176.600 -0.009 0.000 1.049 252 K CA 1.265 57.538 56.287 -0.023 0.000 0.931 252 K CB -0.250 32.244 32.500 -0.010 0.000 0.714 252 K HN 0.310 nan 8.250 nan 0.000 0.440 253 I N -0.952 119.623 120.570 0.007 0.000 2.493 253 I HA -0.214 3.957 4.170 0.003 0.000 0.254 253 I C 0.800 176.815 176.117 -0.170 0.000 1.160 253 I CA 1.426 62.683 61.300 -0.071 0.000 1.445 253 I CB 0.039 37.992 38.000 -0.077 0.000 1.086 253 I HN 0.163 nan 8.210 nan 0.000 0.433 254 Y N 1.582 121.858 120.300 -0.039 0.000 2.461 254 Y HA 0.299 4.850 4.550 0.003 0.000 0.277 254 Y C 1.838 177.709 175.900 -0.048 0.000 1.182 254 Y CA 0.611 58.686 58.100 -0.041 0.000 1.276 254 Y CB 0.423 38.854 38.460 -0.048 0.000 1.087 254 Y HN 0.427 nan 8.280 nan 0.000 0.519 255 G N 0.863 109.682 108.800 0.033 0.000 2.253 255 G HA2 -0.355 3.607 3.960 0.003 0.000 0.251 255 G HA3 -0.355 3.607 3.960 0.003 0.000 0.251 255 G C 0.312 175.209 174.900 -0.005 0.000 0.998 255 G CA 0.150 45.251 45.100 0.002 0.000 0.621 255 G HN 0.317 nan 8.290 nan 0.000 0.524 256 I N 1.904 122.472 120.570 -0.003 0.000 2.533 256 I HA 0.520 4.691 4.170 0.003 0.000 0.284 256 I C 0.235 176.308 176.117 -0.073 0.000 1.109 256 I CA -0.917 60.362 61.300 -0.036 0.000 1.412 256 I CB 0.823 38.795 38.000 -0.046 0.000 1.396 256 I HN 0.144 nan 8.210 nan 0.000 0.543 257 D N 9.365 129.729 120.400 -0.061 0.000 2.363 257 D HA 0.151 4.793 4.640 0.003 0.000 0.263 257 D C -1.835 174.398 176.300 -0.111 0.000 1.258 257 D CA -1.792 52.163 54.000 -0.076 0.000 0.907 257 D CB 1.218 41.989 40.800 -0.047 0.000 1.107 257 D HN 0.370 nan 8.370 nan 0.000 0.495 258 P HA -0.051 nan 4.420 nan 0.000 0.220 258 P C 1.224 178.321 177.300 -0.339 0.000 1.148 258 P CA 0.866 63.672 63.100 -0.491 0.000 0.803 258 P CB 0.193 31.321 31.700 -0.953 0.000 0.782 259 I N -1.254 119.222 120.570 -0.157 0.000 2.406 259 I HA -0.119 4.052 4.170 0.003 0.000 0.249 259 I C 2.627 178.774 176.117 0.051 0.000 1.122 259 I CA 1.628 62.929 61.300 0.003 0.000 1.431 259 I CB -1.238 36.787 38.000 0.042 0.000 1.087 259 I HN -0.095 nan 8.210 nan 0.000 0.424 260 S N 0.865 116.579 115.700 0.024 0.000 2.428 260 S HA -0.167 4.304 4.470 0.003 0.000 0.230 260 S C 1.978 176.588 174.600 0.016 0.000 1.014 260 S CA 0.944 59.158 58.200 0.023 0.000 0.957 260 S CB -0.618 62.553 63.200 -0.047 0.000 0.784 260 S HN 0.351 nan 8.310 nan 0.000 0.499 261 F N 2.029 121.908 119.950 -0.118 0.000 2.113 261 F HA -0.070 4.459 4.527 0.002 0.000 0.297 261 F C 1.877 177.677 175.800 -0.000 0.000 1.103 261 F CA 1.195 59.135 58.000 -0.101 0.000 1.248 261 F CB -0.018 38.895 39.000 -0.144 0.000 0.999 261 F HN 0.159 nan 8.300 nan 0.000 0.475 262 I N 1.336 122.001 120.570 0.158 0.000 2.315 262 I HA -0.231 3.941 4.170 0.003 0.000 0.248 262 I C 2.691 178.837 176.117 0.048 0.000 1.117 262 I CA 1.667 63.041 61.300 0.124 0.000 1.404 262 I CB -2.152 36.007 38.000 0.265 0.000 1.071 262 I HN 0.237 nan 8.210 nan 0.000 0.419 263 K N 0.288 120.738 120.400 0.083 0.000 2.063 263 K HA -0.202 4.120 4.320 0.003 0.000 0.208 263 K C 1.985 178.619 176.600 0.057 0.000 1.048 263 K CA 1.750 58.090 56.287 0.087 0.000 0.928 263 K CB -1.421 31.164 32.500 0.143 0.000 0.713 263 K HN 0.548 nan 8.250 nan 0.000 0.442 264 H N -1.368 117.623 119.070 -0.132 0.000 2.448 264 H HA 0.248 4.806 4.556 0.003 0.000 0.292 264 H C 2.233 177.427 175.328 -0.223 0.000 1.035 264 H CA 0.695 56.641 56.048 -0.170 0.000 1.349 264 H CB 0.394 30.039 29.762 -0.194 0.000 1.425 264 H HN 0.540 nan 8.280 nan 0.000 0.539 265 A N 1.219 123.917 122.820 -0.204 0.000 2.251 265 A HA 0.067 4.389 4.320 0.003 0.000 0.209 265 A C 2.343 179.863 177.584 -0.106 0.000 1.187 265 A CA 0.784 52.670 52.037 -0.252 0.000 0.823 265 A CB -0.460 18.234 19.000 -0.509 0.000 0.846 265 A HN 0.434 nan 8.150 nan 0.000 0.486 266 K N 0.552 120.915 120.400 -0.062 0.000 2.103 266 K HA -0.234 4.088 4.320 0.003 0.000 0.207 266 K C 1.428 178.021 176.600 -0.011 0.000 1.048 266 K CA 2.141 58.415 56.287 -0.022 0.000 0.930 266 K CB -1.003 31.486 32.500 -0.018 0.000 0.716 266 K HN 0.580 nan 8.250 nan 0.000 0.444 267 D N -0.277 120.111 120.400 -0.020 0.000 2.117 267 D HA 0.057 4.699 4.640 0.003 0.000 0.198 267 D C 2.234 178.556 176.300 0.036 0.000 0.982 267 D CA 1.522 55.527 54.000 0.008 0.000 0.828 267 D CB -0.099 40.700 40.800 -0.002 0.000 0.967 267 D HN 0.501 nan 8.370 nan 0.000 0.464 268 A N -0.015 122.813 122.820 0.013 0.000 1.929 268 A HA -0.067 4.254 4.320 0.003 0.000 0.216 268 A C 2.110 179.728 177.584 0.058 0.000 1.176 268 A CA 0.890 52.945 52.037 0.030 0.000 0.628 268 A CB -0.456 18.542 19.000 -0.004 0.000 0.816 268 A HN 0.107 nan 8.150 nan 0.000 0.444 269 M N -0.672 118.957 119.600 0.049 0.000 2.067 269 M HA -0.085 4.397 4.480 0.003 0.000 0.260 269 M C 1.960 178.336 176.300 0.128 0.000 1.069 269 M CA 1.221 56.572 55.300 0.084 0.000 1.117 269 M CB -0.267 32.372 32.600 0.065 0.000 1.334 269 M HN 0.275 nan 8.290 nan 0.000 0.407 270 L N -0.281 120.999 121.223 0.094 0.000 2.083 270 L HA -0.187 4.155 4.340 0.003 0.000 0.209 270 L C 2.371 179.362 176.870 0.201 0.000 1.083 270 L CA 1.898 56.809 54.840 0.118 0.000 0.752 270 L CB -1.658 40.434 42.059 0.054 0.000 0.899 270 L HN 0.383 nan 8.230 nan 0.000 0.433 271 T N -0.041 114.621 114.554 0.180 0.000 2.777 271 T HA -0.094 4.258 4.350 0.003 0.000 0.266 271 T C 1.982 176.798 174.700 0.193 0.000 1.040 271 T CA 1.224 63.460 62.100 0.226 0.000 1.141 271 T CB -0.151 68.838 68.868 0.203 0.000 0.868 271 T HN 0.413 nan 8.240 nan 0.000 0.444 272 A N 0.908 123.822 122.820 0.157 0.000 1.933 272 A HA -0.011 4.311 4.320 0.003 0.000 0.218 272 A C 2.007 179.682 177.584 0.151 0.000 1.175 272 A CA 1.205 53.316 52.037 0.125 0.000 0.628 272 A CB -0.952 18.112 19.000 0.105 0.000 0.814 272 A HN 0.475 nan 8.150 nan 0.000 0.444 273 F N 0.401 120.388 119.950 0.062 0.000 2.102 273 F HA -0.138 4.391 4.527 0.003 0.000 0.298 273 F C 2.193 178.036 175.800 0.072 0.000 1.105 273 F CA 2.070 60.108 58.000 0.065 0.000 1.239 273 F CB -0.037 39.008 39.000 0.076 0.000 0.991 273 F HN 0.040 nan 8.300 nan 0.000 0.474 274 V N -0.750 119.305 119.914 0.236 0.000 2.446 274 V HA -0.196 3.926 4.120 0.003 0.000 0.244 274 V C 2.201 178.359 176.094 0.107 0.000 1.039 274 V CA 2.110 64.507 62.300 0.162 0.000 1.045 274 V CB -0.878 31.089 31.823 0.239 0.000 0.681 274 V HN 0.372 nan 8.190 nan 0.000 0.459 275 T N -0.766 113.870 114.554 0.136 0.000 2.821 275 T HA -0.130 4.222 4.350 0.003 0.000 0.267 275 T C 1.392 176.103 174.700 0.019 0.000 1.046 275 T CA 1.180 63.333 62.100 0.088 0.000 1.139 275 T CB -0.193 68.710 68.868 0.058 0.000 0.871 275 T HN 0.407 nan 8.240 nan 0.000 0.454 276 R N -0.061 120.433 120.500 -0.011 0.000 3.977 276 R HA -0.133 4.209 4.340 0.003 0.000 0.428 276 R C 0.182 176.459 176.300 -0.040 0.000 1.079 276 R CA 0.857 56.924 56.100 -0.055 0.000 1.269 276 R CB -2.083 28.164 30.300 -0.088 0.000 1.856 276 R HN 0.359 nan 8.270 nan 0.000 0.551 277 S N -0.389 115.300 115.700 -0.019 0.000 2.461 277 S HA 0.374 4.846 4.470 0.003 0.000 0.322 277 S C 0.976 175.568 174.600 -0.015 0.000 1.063 277 S CA -0.168 58.019 58.200 -0.022 0.000 1.120 277 S CB 1.706 64.891 63.200 -0.025 0.000 0.968 277 S HN 0.262 nan 8.310 nan 0.000 0.467 278 S N 3.486 119.176 115.700 -0.017 0.000 2.356 278 S HA -0.108 4.363 4.470 0.003 0.000 0.223 278 S C 2.208 176.803 174.600 -0.008 0.000 1.032 278 S CA 1.979 60.173 58.200 -0.010 0.000 1.005 278 S CB -0.433 62.755 63.200 -0.019 0.000 0.867 278 S HN 0.837 nan 8.310 nan 0.000 0.449 279 S N 0.267 115.960 115.700 -0.012 0.000 2.382 279 S HA -0.012 4.460 4.470 0.003 0.000 0.228 279 S C 1.954 176.544 174.600 -0.017 0.000 1.027 279 S CA 1.648 59.843 58.200 -0.009 0.000 0.991 279 S CB -0.804 62.391 63.200 -0.008 0.000 0.823 279 S HN 0.614 nan 8.310 nan 0.000 0.469 280 G N -0.377 108.407 108.800 -0.028 0.000 2.484 280 G HA2 -0.022 3.939 3.960 0.003 0.000 0.218 280 G HA3 -0.022 3.939 3.960 0.003 0.000 0.218 280 G C 1.304 176.169 174.900 -0.058 0.000 1.130 280 G CA 1.110 46.180 45.100 -0.050 0.000 0.784 280 G HN 0.567 nan 8.290 nan 0.000 0.543 281 T N 1.036 115.574 114.554 -0.027 0.000 3.100 281 T HA 0.080 4.432 4.350 0.003 0.000 0.253 281 T C 2.106 176.806 174.700 0.000 0.000 1.118 281 T CA -0.194 61.901 62.100 -0.009 0.000 1.058 281 T CB 0.092 68.973 68.868 0.023 0.000 0.953 281 T HN 0.066 nan 8.240 nan 0.000 0.515 282 L N 2.265 123.487 121.223 -0.002 0.000 2.043 282 L HA -0.030 4.311 4.340 0.003 0.000 0.212 282 L C -0.867 176.012 176.870 0.015 0.000 1.075 282 L CA 2.002 56.850 54.840 0.015 0.000 0.752 282 L CB -1.280 40.789 42.059 0.017 0.000 0.891 282 L HN 0.142 nan 8.230 nan 0.000 0.432 283 P HA -0.123 nan 4.420 nan 0.000 0.218 283 P C 2.090 179.398 177.300 0.014 0.000 1.149 283 P CA 1.028 64.109 63.100 -0.032 0.000 0.817 283 P CB 0.054 31.716 31.700 -0.063 0.000 0.785 284 V N -1.018 118.908 119.914 0.020 0.000 3.129 284 V HA -0.101 4.021 4.120 0.003 0.000 0.259 284 V C 1.791 177.903 176.094 0.030 0.000 1.116 284 V CA 2.069 64.394 62.300 0.041 0.000 1.127 284 V CB -1.163 30.693 31.823 0.055 0.000 0.742 284 V HN 0.157 nan 8.190 nan 0.000 0.474 285 T N -0.082 114.487 114.554 0.026 0.000 2.851 285 T HA -0.079 4.273 4.350 0.003 0.000 0.262 285 T C 1.780 176.476 174.700 -0.006 0.000 1.043 285 T CA 1.644 63.749 62.100 0.008 0.000 1.140 285 T CB -0.178 68.704 68.868 0.022 0.000 0.872 285 T HN 0.353 nan 8.240 nan 0.000 0.446 286 M N 0.407 120.042 119.600 0.059 0.000 2.319 286 M HA 0.082 4.564 4.480 0.003 0.000 0.265 286 M C 2.531 178.855 176.300 0.040 0.000 1.068 286 M CA 0.983 56.343 55.300 0.100 0.000 1.118 286 M CB -0.184 32.618 32.600 0.337 0.000 1.395 286 M HN 0.029 nan 8.290 nan 0.000 0.435 287 R N 0.209 120.802 120.500 0.156 0.000 2.115 287 R HA -0.071 4.271 4.340 0.003 0.000 0.226 287 R C 1.892 178.150 176.300 -0.070 0.000 1.100 287 R CA 1.050 57.227 56.100 0.128 0.000 0.980 287 R CB -0.066 30.353 30.300 0.198 0.000 0.875 287 R HN 0.208 nan 8.270 nan 0.000 0.445 288 V N 1.008 120.872 119.914 -0.083 0.000 2.358 288 V HA -0.208 3.914 4.120 0.003 0.000 0.246 288 V C 2.431 178.412 176.094 -0.188 0.000 1.047 288 V CA 1.924 64.153 62.300 -0.118 0.000 1.035 288 V CB -0.452 31.308 31.823 -0.104 0.000 0.658 288 V HN 0.485 nan 8.190 nan 0.000 0.452 289 A N -0.280 122.355 122.820 -0.308 0.000 1.930 289 A HA -0.226 4.096 4.320 0.003 0.000 0.217 289 A C 2.320 179.549 177.584 -0.590 0.000 1.175 289 A CA 1.975 53.740 52.037 -0.454 0.000 0.627 289 A CB -0.427 18.210 19.000 -0.603 0.000 0.815 289 A HN 0.555 nan 8.150 nan 0.000 0.443 290 K N 0.141 120.111 120.400 -0.717 0.000 2.002 290 K HA -0.156 4.166 4.320 0.003 0.000 0.209 290 K C 1.142 177.623 176.600 -0.199 0.000 1.048 290 K CA 1.781 57.808 56.287 -0.432 0.000 0.930 290 K CB -0.191 32.059 32.500 -0.416 0.000 0.714 290 K HN 0.479 nan 8.250 nan 0.000 0.438 291 E N 0.400 120.502 120.200 -0.162 0.000 2.403 291 E HA 0.000 4.352 4.350 0.003 0.000 0.187 291 E C 0.832 177.443 176.600 0.017 0.000 1.073 291 E CA 0.047 56.401 56.400 -0.076 0.000 0.888 291 E CB 0.180 29.830 29.700 -0.084 0.000 1.035 291 E HN 0.496 nan 8.360 nan 0.000 0.471 292 M N -3.457 116.151 119.600 0.013 0.000 2.416 292 M HA 0.407 4.889 4.480 0.003 0.000 0.337 292 M C 0.812 177.108 176.300 -0.007 0.000 1.074 292 M CA 0.260 55.609 55.300 0.081 0.000 0.968 292 M CB 0.750 33.373 32.600 0.037 0.000 1.472 292 M HN 0.022 nan 8.290 nan 0.000 0.539 293 G N 2.433 111.225 108.800 -0.013 0.000 2.149 293 G HA2 -0.168 3.793 3.960 0.003 0.000 0.235 293 G HA3 -0.168 3.793 3.960 0.003 0.000 0.235 293 G C -0.280 174.634 174.900 0.023 0.000 1.018 293 G CA 0.044 45.146 45.100 0.002 0.000 0.728 293 G HN 0.594 nan 8.290 nan 0.000 0.508 294 I N 1.620 122.213 120.570 0.039 0.000 2.440 294 I HA 0.432 4.603 4.170 0.003 0.000 0.294 294 I C 1.261 177.529 176.117 0.253 0.000 0.995 294 I CA -0.371 61.004 61.300 0.126 0.000 1.306 294 I CB 1.630 39.715 38.000 0.142 0.000 1.407 294 I HN 0.346 nan 8.210 nan 0.000 0.501 295 S N 3.584 119.387 115.700 0.171 0.000 2.564 295 S HA 0.131 4.603 4.470 0.003 0.000 0.278 295 S C 0.762 175.352 174.600 -0.015 0.000 1.333 295 S CA -0.577 57.680 58.200 0.095 0.000 1.048 295 S CB 1.121 64.333 63.200 0.020 0.000 0.900 295 S HN 0.676 nan 8.310 nan 0.000 0.505 296 E N 2.337 122.416 120.200 -0.202 0.000 2.331 296 E HA -0.122 4.229 4.350 0.003 0.000 0.199 296 E C 2.003 178.376 176.600 -0.379 0.000 1.008 296 E CA 0.951 56.992 56.400 -0.599 0.000 0.843 296 E CB -0.593 28.901 29.700 -0.343 0.000 0.761 296 E HN 0.942 nan 8.360 nan 0.000 0.507 297 G N 1.277 109.965 108.800 -0.186 0.000 2.418 297 G HA2 -0.207 3.755 3.960 0.003 0.000 0.217 297 G HA3 -0.207 3.755 3.960 0.003 0.000 0.217 297 G C 1.501 176.362 174.900 -0.064 0.000 1.158 297 G CA 0.454 45.484 45.100 -0.115 0.000 0.771 297 G HN 0.090 nan 8.290 nan 0.000 0.545 298 I N 0.096 120.647 120.570 -0.031 0.000 2.368 298 I HA 0.033 4.205 4.170 0.003 0.000 0.238 298 I C 2.670 178.848 176.117 0.101 0.000 1.076 298 I CA 0.817 62.153 61.300 0.061 0.000 1.397 298 I CB -1.632 36.413 38.000 0.074 0.000 1.141 298 I HN 0.472 nan 8.210 nan 0.000 0.430 299 Y N 1.579 121.918 120.300 0.065 0.000 2.373 299 Y HA 0.081 4.633 4.550 0.003 0.000 0.293 299 Y C 2.586 178.542 175.900 0.093 0.000 1.129 299 Y CA 1.219 59.358 58.100 0.065 0.000 1.226 299 Y CB -1.009 37.481 38.460 0.049 0.000 1.000 299 Y HN 0.142 nan 8.280 nan 0.000 0.549 300 S N 0.431 115.971 115.700 -0.267 0.000 2.474 300 S HA -0.094 4.378 4.470 0.003 0.000 0.235 300 S C 1.619 176.279 174.600 0.100 0.000 0.997 300 S CA 1.278 59.416 58.200 -0.102 0.000 0.949 300 S CB -0.831 62.238 63.200 -0.218 0.000 0.766 300 S HN 0.592 nan 8.310 nan 0.000 0.517 301 F N 2.187 122.116 119.950 -0.035 0.000 2.419 301 F HA 0.040 4.568 4.527 0.002 0.000 0.283 301 F C 2.597 178.437 175.800 0.066 0.000 1.044 301 F CA 1.875 59.878 58.000 0.006 0.000 1.376 301 F CB -0.588 38.397 39.000 -0.024 0.000 1.131 301 F HN 0.185 nan 8.300 nan 0.000 0.585 302 T N -0.177 114.318 114.554 -0.098 0.000 2.777 302 T HA -0.140 4.211 4.350 0.003 0.000 0.266 302 T C 2.180 176.888 174.700 0.013 0.000 1.040 302 T CA 1.708 63.714 62.100 -0.158 0.000 1.141 302 T CB -0.987 67.859 68.868 -0.037 0.000 0.868 302 T HN 0.346 nan 8.240 nan 0.000 0.444 303 L N 1.137 122.410 121.223 0.083 0.000 2.027 303 L HA 0.058 4.400 4.340 0.003 0.000 0.206 303 L C -0.275 176.634 176.870 0.065 0.000 1.074 303 L CA 1.212 56.116 54.840 0.106 0.000 0.745 303 L CB -1.391 40.762 42.059 0.156 0.000 0.898 303 L HN 0.252 nan 8.230 nan 0.000 0.433 304 P HA -0.166 nan 4.420 nan 0.000 0.217 304 P C 1.774 179.080 177.300 0.010 0.000 1.151 304 P CA 0.993 64.118 63.100 0.042 0.000 0.828 304 P CB 0.081 31.821 31.700 0.067 0.000 0.788 305 L N -0.027 121.174 121.223 -0.036 0.000 2.046 305 L HA -0.037 4.305 4.340 0.003 0.000 0.208 305 L C 2.291 179.156 176.870 -0.009 0.000 1.077 305 L CA 2.357 57.172 54.840 -0.042 0.000 0.747 305 L CB -1.552 40.390 42.059 -0.195 0.000 0.896 305 L HN -0.040 nan 8.230 nan 0.000 0.432 306 G N -1.188 107.620 108.800 0.012 0.000 2.432 306 G HA2 -0.229 3.733 3.960 0.003 0.000 0.219 306 G HA3 -0.229 3.733 3.960 0.003 0.000 0.219 306 G C 1.472 176.271 174.900 -0.169 0.000 1.135 306 G CA 0.575 45.546 45.100 -0.216 0.000 0.767 306 G HN 0.609 nan 8.290 nan 0.000 0.550 307 A N 0.190 122.973 122.820 -0.062 0.000 2.235 307 A HA 0.253 4.575 4.320 0.003 0.000 0.208 307 A C 2.278 179.838 177.584 -0.039 0.000 1.172 307 A CA 2.106 54.118 52.037 -0.041 0.000 0.786 307 A CB -0.326 18.670 19.000 -0.007 0.000 0.804 307 A HN 0.518 nan 8.150 nan 0.000 0.479 308 T N -5.490 109.036 114.554 -0.047 0.000 2.980 308 T HA 0.272 4.623 4.350 0.003 0.000 0.252 308 T C 1.174 175.850 174.700 -0.039 0.000 0.962 308 T CA 0.575 62.658 62.100 -0.027 0.000 0.932 308 T CB -0.091 68.779 68.868 0.003 0.000 1.188 308 T HN 0.033 nan 8.240 nan 0.000 0.500 309 I N 1.442 121.964 120.570 -0.081 0.000 3.718 309 I HA 0.364 4.535 4.170 0.003 0.000 0.297 309 I C 0.557 176.571 176.117 -0.172 0.000 1.220 309 I CA -0.216 61.040 61.300 -0.074 0.000 1.381 309 I CB 0.330 38.337 38.000 0.011 0.000 1.238 309 I HN 0.293 nan 8.210 nan 0.000 0.448 310 N N 1.477 119.941 118.700 -0.394 0.000 2.462 310 N HA 0.222 4.963 4.740 0.003 0.000 0.242 310 N C -0.772 174.608 175.510 -0.217 0.000 1.010 310 N CA -0.047 52.718 53.050 -0.475 0.000 0.939 310 N CB 0.529 38.331 38.487 -1.142 0.000 1.127 310 N HN -0.047 nan 8.380 nan 0.000 0.509 311 M N 3.572 123.112 119.600 -0.100 0.000 2.389 311 M HA 0.230 4.712 4.480 0.003 0.000 0.206 311 M C 0.026 176.333 176.300 0.011 0.000 0.976 311 M CA -0.508 54.770 55.300 -0.037 0.000 0.648 311 M CB 0.714 33.299 32.600 -0.025 0.000 1.474 311 M HN 0.394 nan 8.290 nan 0.000 0.398 312 D N 0.719 121.145 120.400 0.043 0.000 2.084 312 D HA -0.048 4.594 4.640 0.003 0.000 0.196 312 D C 1.797 178.140 176.300 0.072 0.000 0.985 312 D CA 1.657 55.707 54.000 0.082 0.000 0.826 312 D CB -0.043 40.859 40.800 0.170 0.000 0.978 312 D HN 0.703 nan 8.370 nan 0.000 0.456 313 G N -0.240 108.602 108.800 0.069 0.000 2.470 313 G HA2 -0.202 3.759 3.960 0.003 0.000 0.220 313 G HA3 -0.202 3.759 3.960 0.003 0.000 0.220 313 G C 1.644 176.573 174.900 0.048 0.000 1.121 313 G CA 1.202 46.327 45.100 0.041 0.000 0.766 313 G HN 0.231 nan 8.290 nan 0.000 0.553 314 T N 1.110 115.693 114.554 0.048 0.000 2.851 314 T HA 0.165 4.517 4.350 0.003 0.000 0.262 314 T C 2.857 177.643 174.700 0.144 0.000 1.043 314 T CA 1.100 63.254 62.100 0.089 0.000 1.140 314 T CB -0.220 68.672 68.868 0.040 0.000 0.872 314 T HN 0.337 nan 8.240 nan 0.000 0.446 315 A N 1.300 124.173 122.820 0.088 0.000 1.908 315 A HA -0.032 4.290 4.320 0.003 0.000 0.218 315 A C 2.252 179.874 177.584 0.063 0.000 1.181 315 A CA 1.413 53.493 52.037 0.072 0.000 0.627 315 A CB -0.877 18.154 19.000 0.053 0.000 0.818 315 A HN 0.475 nan 8.150 nan 0.000 0.445 316 L N -1.893 119.367 121.223 0.062 0.000 2.056 316 L HA -0.144 4.197 4.340 0.003 0.000 0.207 316 L C 2.461 179.359 176.870 0.046 0.000 1.078 316 L CA 2.154 57.016 54.840 0.035 0.000 0.749 316 L CB -0.448 41.625 42.059 0.024 0.000 0.901 316 L HN 0.551 nan 8.230 nan 0.000 0.433 317 Y N 0.381 120.659 120.300 -0.037 0.000 2.165 317 Y HA -0.322 4.230 4.550 0.002 0.000 0.286 317 Y C 2.464 178.360 175.900 -0.006 0.000 1.155 317 Y CA 2.168 60.244 58.100 -0.041 0.000 1.164 317 Y CB -0.251 38.177 38.460 -0.053 0.000 0.978 317 Y HN 0.323 nan 8.280 nan 0.000 0.513 318 Q N -0.490 119.286 119.800 -0.040 0.000 2.123 318 Q HA -0.036 4.306 4.340 0.003 0.000 0.199 318 Q C 2.524 178.486 176.000 -0.063 0.000 0.966 318 Q CA 1.122 56.866 55.803 -0.099 0.000 0.845 318 Q CB -0.434 28.339 28.738 0.059 0.000 0.907 318 Q HN 0.653 nan 8.270 nan 0.000 0.439 319 G N 0.012 108.797 108.800 -0.025 0.000 2.408 319 G HA2 -0.210 3.752 3.960 0.003 0.000 0.217 319 G HA3 -0.210 3.752 3.960 0.003 0.000 0.217 319 G C 1.374 176.265 174.900 -0.014 0.000 1.150 319 G CA 0.676 45.774 45.100 -0.004 0.000 0.776 319 G HN 0.304 nan 8.290 nan 0.000 0.542 320 V N -0.412 119.460 119.914 -0.069 0.000 3.306 320 V HA 0.034 4.156 4.120 0.003 0.000 0.264 320 V C 2.337 178.431 176.094 -0.000 0.000 1.149 320 V CA 1.180 63.449 62.300 -0.052 0.000 1.143 320 V CB -0.229 31.547 31.823 -0.078 0.000 0.767 320 V HN 0.427 nan 8.190 nan 0.000 0.476 321 C N -0.565 118.669 119.300 -0.110 0.000 2.551 321 C HA 0.043 4.505 4.460 0.003 0.000 0.277 321 C C 2.638 177.681 174.990 0.089 0.000 1.349 321 C CA 1.072 60.029 59.018 -0.102 0.000 1.750 321 C CB -0.646 26.822 27.740 -0.454 0.000 2.058 321 C HN 0.635 nan 8.230 nan 0.000 0.518 322 T N 0.908 115.524 114.554 0.104 0.000 2.777 322 T HA -0.099 4.253 4.350 0.003 0.000 0.266 322 T C 1.402 176.209 174.700 0.178 0.000 1.040 322 T CA 1.411 63.594 62.100 0.139 0.000 1.141 322 T CB -0.340 68.612 68.868 0.139 0.000 0.868 322 T HN 0.370 nan 8.240 nan 0.000 0.444 323 F N 0.679 120.653 119.950 0.040 0.000 2.186 323 F HA 0.101 4.629 4.527 0.002 0.000 0.299 323 F C 1.921 177.763 175.800 0.070 0.000 1.090 323 F CA 0.168 58.194 58.000 0.045 0.000 1.307 323 F CB -0.722 38.305 39.000 0.045 0.000 1.019 323 F HN 0.114 nan 8.300 nan 0.000 0.489 324 F N 0.708 120.744 119.950 0.143 0.000 2.095 324 F HA -0.250 4.279 4.527 0.002 0.000 0.298 324 F C 2.139 177.961 175.800 0.037 0.000 1.104 324 F CA 1.814 59.857 58.000 0.072 0.000 1.232 324 F CB -0.512 38.506 39.000 0.030 0.000 0.987 324 F HN -0.103 nan 8.300 nan 0.000 0.475 325 I N 0.066 120.726 120.570 0.149 0.000 2.286 325 I HA -0.208 3.963 4.170 0.003 0.000 0.245 325 I C 2.653 178.721 176.117 -0.081 0.000 1.104 325 I CA 1.039 62.360 61.300 0.034 0.000 1.397 325 I CB -0.963 37.128 38.000 0.151 0.000 1.072 325 I HN 0.225 nan 8.210 nan 0.000 0.417 326 A N 0.831 123.599 122.820 -0.087 0.000 2.015 326 A HA -0.188 4.134 4.320 0.003 0.000 0.219 326 A C 1.994 179.475 177.584 -0.172 0.000 1.163 326 A CA 1.779 53.725 52.037 -0.152 0.000 0.646 326 A CB -0.893 17.962 19.000 -0.241 0.000 0.806 326 A HN 0.503 nan 8.150 nan 0.000 0.448 327 N N -0.155 118.442 118.700 -0.172 0.000 2.250 327 N HA 0.015 4.757 4.740 0.003 0.000 0.181 327 N C 1.752 177.149 175.510 -0.190 0.000 1.017 327 N CA 0.746 53.703 53.050 -0.155 0.000 0.866 327 N CB -0.150 38.276 38.487 -0.101 0.000 0.985 327 N HN 0.470 nan 8.380 nan 0.000 0.429 328 A N 0.477 123.127 122.820 -0.283 0.000 2.167 328 A HA 0.067 4.389 4.320 0.003 0.000 0.214 328 A C 1.800 179.291 177.584 -0.155 0.000 1.151 328 A CA 0.650 52.519 52.037 -0.280 0.000 0.735 328 A CB -0.074 18.659 19.000 -0.445 0.000 0.802 328 A HN 0.190 nan 8.150 nan 0.000 0.467 329 L N -2.473 118.674 121.223 -0.126 0.000 2.575 329 L HA 0.256 4.598 4.340 0.003 0.000 0.228 329 L C 1.542 178.365 176.870 -0.078 0.000 1.075 329 L CA 0.794 55.583 54.840 -0.084 0.000 0.867 329 L CB 0.063 42.081 42.059 -0.068 0.000 1.097 329 L HN 0.543 nan 8.230 nan 0.000 0.485 330 G N 0.590 109.334 108.800 -0.093 0.000 2.130 330 G HA2 -0.238 3.723 3.960 0.003 0.000 0.216 330 G HA3 -0.238 3.723 3.960 0.003 0.000 0.216 330 G C 0.295 175.146 174.900 -0.082 0.000 0.999 330 G CA 0.262 45.314 45.100 -0.080 0.000 0.686 330 G HN 0.492 nan 8.290 nan 0.000 0.515 331 S N -0.874 114.766 115.700 -0.100 0.000 2.565 331 S HA 0.670 5.142 4.470 0.003 0.000 0.276 331 S C 1.168 175.690 174.600 -0.130 0.000 1.326 331 S CA 0.992 59.129 58.200 -0.105 0.000 1.045 331 S CB 0.206 63.339 63.200 -0.112 0.000 0.918 331 S HN 1.927 nan 8.310 nan 0.000 0.505 332 H N 0.931 119.937 119.070 -0.107 0.000 2.563 332 H HA 0.484 5.042 4.556 0.003 0.000 0.272 332 H C 1.767 177.005 175.328 -0.150 0.000 1.005 332 H CA 1.268 57.253 56.048 -0.104 0.000 1.171 332 H CB -1.536 28.186 29.762 -0.065 0.000 1.351 332 H HN 2.413 nan 8.280 nan 0.000 0.602 333 L N -0.038 121.066 121.223 -0.199 0.000 3.678 333 L HA -0.132 4.210 4.340 0.003 0.000 0.425 333 L C 1.071 177.858 176.870 -0.138 0.000 1.240 333 L CA 1.415 56.099 54.840 -0.260 0.000 0.876 333 L CB -3.227 38.469 42.059 -0.605 0.000 1.766 333 L HN 1.417 nan 8.230 nan 0.000 0.917 334 T N -3.103 111.401 114.554 -0.084 0.000 1.466 334 T HA 0.186 4.538 4.350 0.003 0.000 0.655 334 T C 1.080 175.770 174.700 -0.017 0.000 0.958 334 T CA 0.890 62.966 62.100 -0.040 0.000 3.476 334 T CB -1.576 67.276 68.868 -0.026 0.000 1.980 334 T HN 2.396 nan 8.240 nan 0.000 0.368 335 V N 1.822 121.728 119.914 -0.013 0.000 2.032 335 V HA 0.477 4.599 4.120 0.003 0.000 0.233 335 V C 1.485 177.585 176.094 0.009 0.000 1.578 335 V CA 1.456 63.759 62.300 0.005 0.000 1.560 335 V CB -1.102 30.721 31.823 0.001 0.000 1.556 335 V HN 1.494 nan 8.190 nan 0.000 0.496 336 G N 1.137 109.947 108.800 0.016 0.000 4.399 336 G HA2 0.370 4.332 3.960 0.003 0.000 0.158 336 G HA3 0.370 4.332 3.960 0.003 0.000 0.158 336 G C 0.594 175.504 174.900 0.017 0.000 1.911 336 G CA 0.779 45.887 45.100 0.013 0.000 0.926 336 G HN 1.651 nan 8.290 nan 0.000 0.292 337 Q N 1.515 121.322 119.800 0.012 0.000 3.135 337 Q HA 0.579 4.921 4.340 0.003 0.000 0.344 337 Q C 1.005 177.018 176.000 0.022 0.000 1.321 337 Q CA 0.571 56.382 55.803 0.013 0.000 1.050 337 Q CB -0.571 28.170 28.738 0.005 0.000 1.498 337 Q HN 0.865 nan 8.270 nan 0.000 0.503 338 Q N -0.535 119.293 119.800 0.045 0.000 2.198 338 Q HA 0.131 4.473 4.340 0.003 0.000 0.209 338 Q C 1.344 177.384 176.000 0.067 0.000 0.848 338 Q CA 0.422 56.274 55.803 0.082 0.000 0.974 338 Q CB -0.280 28.561 28.738 0.171 0.000 1.115 338 Q HN 0.775 nan 8.270 nan 0.000 0.494 339 L N -2.039 119.206 121.223 0.036 0.000 2.395 339 L HA 0.156 4.497 4.340 0.003 0.000 0.218 339 L C 1.523 178.406 176.870 0.021 0.000 1.130 339 L CA 0.892 55.743 54.840 0.020 0.000 0.826 339 L CB -0.537 41.527 42.059 0.008 0.000 0.941 339 L HN -0.130 nan 8.230 nan 0.000 0.451 340 T N 0.760 115.329 114.554 0.025 0.000 2.821 340 T HA -0.022 4.329 4.350 0.003 0.000 0.267 340 T C 1.927 176.645 174.700 0.030 0.000 1.046 340 T CA 1.884 63.998 62.100 0.022 0.000 1.139 340 T CB -0.348 68.529 68.868 0.016 0.000 0.871 340 T HN 0.339 nan 8.240 nan 0.000 0.454 341 I N 0.889 121.486 120.570 0.045 0.000 2.142 341 I HA -0.160 4.012 4.170 0.003 0.000 0.240 341 I C 2.535 178.676 176.117 0.041 0.000 1.078 341 I CA 0.940 62.274 61.300 0.057 0.000 1.343 341 I CB -0.657 37.406 38.000 0.106 0.000 1.046 341 I HN 0.063 nan 8.210 nan 0.000 0.405 342 V N 0.963 120.895 119.914 0.031 0.000 2.282 342 V HA -0.320 3.802 4.120 0.003 0.000 0.249 342 V C 2.444 178.547 176.094 0.016 0.000 1.057 342 V CA 2.126 64.433 62.300 0.011 0.000 1.032 342 V CB -0.635 31.182 31.823 -0.010 0.000 0.645 342 V HN 0.367 nan 8.190 nan 0.000 0.447 343 L N -0.106 121.128 121.223 0.018 0.000 1.976 343 L HA -0.178 4.164 4.340 0.003 0.000 0.209 343 L C 2.558 179.443 176.870 0.026 0.000 1.071 343 L CA 2.703 57.556 54.840 0.021 0.000 0.746 343 L CB -0.788 41.282 42.059 0.019 0.000 0.890 343 L HN 0.382 nan 8.230 nan 0.000 0.432 344 T N -0.284 114.286 114.554 0.027 0.000 2.915 344 T HA -0.082 4.269 4.350 0.003 0.000 0.269 344 T C 1.812 176.533 174.700 0.034 0.000 1.071 344 T CA 1.007 63.124 62.100 0.028 0.000 1.132 344 T CB -0.464 68.420 68.868 0.026 0.000 0.878 344 T HN 0.500 nan 8.240 nan 0.000 0.479 345 A N 0.913 123.755 122.820 0.036 0.000 2.014 345 A HA 0.066 4.388 4.320 0.003 0.000 0.218 345 A C 2.515 180.124 177.584 0.042 0.000 1.163 345 A CA 0.741 52.804 52.037 0.042 0.000 0.652 345 A CB -0.748 18.276 19.000 0.041 0.000 0.808 345 A HN 0.359 nan 8.150 nan 0.000 0.449 346 V N 0.121 120.057 119.914 0.037 0.000 2.307 346 V HA -0.196 3.926 4.120 0.003 0.000 0.245 346 V C 2.482 178.599 176.094 0.039 0.000 1.045 346 V CA 1.534 63.857 62.300 0.039 0.000 1.024 346 V CB -0.625 31.221 31.823 0.039 0.000 0.651 346 V HN 0.469 nan 8.190 nan 0.000 0.449 347 L N 0.252 121.497 121.223 0.037 0.000 2.079 347 L HA -0.154 4.188 4.340 0.003 0.000 0.210 347 L C 2.668 179.559 176.870 0.035 0.000 1.081 347 L CA 2.494 57.355 54.840 0.035 0.000 0.752 347 L CB -1.855 40.222 42.059 0.031 0.000 0.896 347 L HN 0.391 nan 8.230 nan 0.000 0.433 348 A N -1.036 121.807 122.820 0.039 0.000 1.930 348 A HA -0.146 4.176 4.320 0.003 0.000 0.217 348 A C 2.525 180.135 177.584 0.044 0.000 1.175 348 A CA 1.694 53.758 52.037 0.045 0.000 0.627 348 A CB -0.473 18.560 19.000 0.056 0.000 0.815 348 A HN 0.447 nan 8.150 nan 0.000 0.443 349 S N 0.190 115.915 115.700 0.041 0.000 2.359 349 S HA -0.152 4.320 4.470 0.003 0.000 0.224 349 S C 1.801 176.409 174.600 0.014 0.000 1.035 349 S CA 1.643 59.861 58.200 0.030 0.000 1.018 349 S CB -0.542 62.675 63.200 0.028 0.000 0.876 349 S HN 0.558 nan 8.310 nan 0.000 0.448 350 I N 1.590 122.172 120.570 0.019 0.000 2.226 350 I HA -0.116 4.056 4.170 0.003 0.000 0.245 350 I C 2.685 178.813 176.117 0.019 0.000 1.100 350 I CA 1.203 62.513 61.300 0.017 0.000 1.374 350 I CB -0.815 37.205 38.000 0.033 0.000 1.057 350 I HN 0.377 nan 8.210 nan 0.000 0.413 351 G N 0.134 108.949 108.800 0.025 0.000 2.471 351 G HA2 -0.111 3.851 3.960 0.003 0.000 0.219 351 G HA3 -0.111 3.851 3.960 0.003 0.000 0.219 351 G C 0.840 175.753 174.900 0.022 0.000 1.125 351 G CA 0.327 45.442 45.100 0.025 0.000 0.775 351 G HN 0.282 nan 8.290 nan 0.000 0.548 352 T N 1.455 116.021 114.554 0.020 0.000 2.930 352 T HA 0.502 4.854 4.350 0.003 0.000 0.306 352 T C 0.594 175.296 174.700 0.003 0.000 1.045 352 T CA 0.067 62.177 62.100 0.015 0.000 1.134 352 T CB 1.499 70.376 68.868 0.015 0.000 0.961 352 T HN 0.354 nan 8.240 nan 0.000 0.545 353 A N 2.030 124.851 122.820 0.001 0.000 2.271 353 A HA 0.644 4.966 4.320 0.003 0.000 0.288 353 A C 1.521 179.096 177.584 -0.015 0.000 1.094 353 A CA -0.334 51.701 52.037 -0.004 0.000 0.828 353 A CB 0.187 19.186 19.000 -0.000 0.000 1.091 353 A HN 0.963 nan 8.150 nan 0.000 0.493 354 G N -0.926 107.865 108.800 -0.015 0.000 3.026 354 G HA2 0.423 4.385 3.960 0.003 0.000 0.208 354 G HA3 0.423 4.385 3.960 0.003 0.000 0.208 354 G C 0.565 175.452 174.900 -0.022 0.000 1.169 354 G CA 0.769 45.856 45.100 -0.021 0.000 0.788 354 G HN 1.227 nan 8.290 nan 0.000 0.533 355 V N 0.512 120.414 119.914 -0.020 0.000 3.264 355 V HA 0.484 4.605 4.120 0.003 0.000 0.304 355 V C -1.116 174.959 176.094 -0.032 0.000 1.086 355 V CA -1.702 60.585 62.300 -0.021 0.000 1.090 355 V CB 0.841 32.656 31.823 -0.014 0.000 1.112 355 V HN 0.058 nan 8.190 nan 0.000 0.472 356 P HA 0.221 nan 4.420 nan 0.000 0.249 356 P C 0.559 177.823 177.300 -0.061 0.000 1.544 356 P CA 1.104 64.175 63.100 -0.048 0.000 0.932 356 P CB 0.239 31.919 31.700 -0.034 0.000 1.524 357 G N -0.800 107.968 108.800 -0.053 0.000 2.800 357 G HA2 0.207 4.169 3.960 0.003 0.000 0.180 357 G HA3 0.207 4.169 3.960 0.003 0.000 0.180 357 G C 1.239 176.113 174.900 -0.044 0.000 1.297 357 G CA 0.564 45.630 45.100 -0.057 0.000 0.884 357 G HN 0.219 nan 8.290 nan 0.000 0.869 358 A N 1.024 123.826 122.820 -0.030 0.000 2.070 358 A HA 0.242 4.564 4.320 0.003 0.000 0.220 358 A C 2.491 180.086 177.584 0.019 0.000 1.159 358 A CA 2.143 54.180 52.037 0.000 0.000 0.656 358 A CB -0.651 18.350 19.000 0.001 0.000 0.800 358 A HN 0.600 nan 8.150 nan 0.000 0.453 359 G N -0.434 108.355 108.800 -0.018 0.000 2.422 359 G HA2 0.015 3.977 3.960 0.003 0.000 0.218 359 G HA3 0.015 3.977 3.960 0.003 0.000 0.218 359 G C 1.677 176.680 174.900 0.172 0.000 1.146 359 G CA 1.212 46.330 45.100 0.030 0.000 0.769 359 G HN 0.746 nan 8.290 nan 0.000 0.547 360 A N 0.610 123.503 122.820 0.122 0.000 1.930 360 A HA 0.130 4.452 4.320 0.003 0.000 0.217 360 A C 2.361 180.115 177.584 0.282 0.000 1.175 360 A CA 1.059 53.241 52.037 0.242 0.000 0.627 360 A CB -0.264 18.780 19.000 0.074 0.000 0.815 360 A HN 0.383 nan 8.150 nan 0.000 0.443 361 I N -1.728 118.952 120.570 0.184 0.000 2.353 361 I HA -0.194 3.978 4.170 0.003 0.000 0.248 361 I C 2.499 178.697 176.117 0.136 0.000 1.119 361 I CA 1.438 62.841 61.300 0.173 0.000 1.417 361 I CB -0.176 37.883 38.000 0.098 0.000 1.078 361 I HN 0.282 nan 8.210 nan 0.000 0.421 362 M N 0.315 119.986 119.600 0.120 0.000 2.492 362 M HA -0.039 4.442 4.480 0.003 0.000 0.262 362 M C 1.836 178.200 176.300 0.106 0.000 1.090 362 M CA 1.166 56.521 55.300 0.091 0.000 1.110 362 M CB -0.236 32.409 32.600 0.075 0.000 1.407 362 M HN 0.152 nan 8.290 nan 0.000 0.470 363 L N 0.334 121.659 121.223 0.170 0.000 2.187 363 L HA -0.096 4.246 4.340 0.003 0.000 0.213 363 L C 2.155 179.080 176.870 0.092 0.000 1.100 363 L CA 2.094 57.032 54.840 0.164 0.000 0.765 363 L CB -1.035 41.178 42.059 0.257 0.000 0.904 363 L HN 0.303 nan 8.230 nan 0.000 0.437 364 A N -0.737 122.112 122.820 0.049 0.000 1.978 364 A HA -0.268 4.053 4.320 0.003 0.000 0.220 364 A C 2.402 179.963 177.584 -0.037 0.000 1.170 364 A CA 2.105 54.098 52.037 -0.072 0.000 0.636 364 A CB -0.645 18.277 19.000 -0.131 0.000 0.810 364 A HN 0.623 nan 8.150 nan 0.000 0.448 365 M N -1.084 118.517 119.600 0.001 0.000 2.200 365 M HA -0.030 4.451 4.480 0.003 0.000 0.265 365 M C 1.923 178.228 176.300 0.008 0.000 1.066 365 M CA 1.405 56.707 55.300 0.003 0.000 1.127 365 M CB 0.025 32.635 32.600 0.016 0.000 1.379 365 M HN 0.238 nan 8.290 nan 0.000 0.420 366 V N 0.605 120.532 119.914 0.022 0.000 3.041 366 V HA -0.135 3.986 4.120 0.003 0.000 0.260 366 V C 1.875 177.978 176.094 0.016 0.000 1.105 366 V CA 1.014 63.329 62.300 0.025 0.000 1.125 366 V CB -0.203 31.644 31.823 0.040 0.000 0.730 366 V HN 0.472 nan 8.190 nan 0.000 0.479 367 L N -0.239 120.986 121.223 0.005 0.000 2.131 367 L HA -0.034 4.307 4.340 0.003 0.000 0.206 367 L C 2.865 179.722 176.870 -0.023 0.000 1.087 367 L CA 1.777 56.612 54.840 -0.009 0.000 0.767 367 L CB -0.968 41.075 42.059 -0.026 0.000 0.917 367 L HN 0.603 nan 8.230 nan 0.000 0.441 368 H N -0.905 118.149 119.070 -0.028 0.000 2.495 368 H HA 0.141 4.699 4.556 0.003 0.000 0.287 368 H C 2.395 177.713 175.328 -0.016 0.000 1.033 368 H CA 1.385 57.417 56.048 -0.027 0.000 1.307 368 H CB -0.532 29.212 29.762 -0.030 0.000 1.401 368 H HN 0.531 nan 8.280 nan 0.000 0.555 369 S N 0.273 115.968 115.700 -0.008 0.000 2.406 369 S HA 0.234 4.705 4.470 0.003 0.000 0.228 369 S C 2.441 177.038 174.600 -0.005 0.000 1.020 369 S CA 1.701 59.900 58.200 -0.002 0.000 0.965 369 S CB -0.637 62.568 63.200 0.008 0.000 0.798 369 S HN 1.092 nan 8.310 nan 0.000 0.488 370 V N -0.247 119.661 119.914 -0.009 0.000 3.608 370 V HA 0.512 4.634 4.120 0.003 0.000 0.269 370 V C 1.533 177.609 176.094 -0.029 0.000 1.245 370 V CA 0.814 63.102 62.300 -0.019 0.000 1.138 370 V CB -1.148 30.660 31.823 -0.024 0.000 0.841 370 V HN 1.247 nan 8.190 nan 0.000 0.451 371 G N 0.615 109.400 108.800 -0.026 0.000 2.203 371 G HA2 -0.005 3.957 3.960 0.003 0.000 0.231 371 G HA3 -0.005 3.957 3.960 0.003 0.000 0.231 371 G C -0.157 174.723 174.900 -0.034 0.000 1.058 371 G CA 0.157 45.239 45.100 -0.029 0.000 0.781 371 G HN 1.710 nan 8.290 nan 0.000 0.496 372 L N -2.478 118.724 121.223 -0.035 0.000 2.529 372 L HA 0.637 4.978 4.340 0.003 0.000 0.258 372 L C -2.580 174.263 176.870 -0.044 0.000 1.032 372 L CA -2.337 52.481 54.840 -0.037 0.000 0.899 372 L CB 1.730 43.767 42.059 -0.036 0.000 1.174 372 L HN -0.088 nan 8.230 nan 0.000 0.458 373 P HA 0.297 nan 4.420 nan 0.000 0.276 373 P C 0.436 177.689 177.300 -0.078 0.000 1.252 373 P CA -0.522 62.539 63.100 -0.064 0.000 0.802 373 P CB 1.262 32.932 31.700 -0.051 0.000 1.035 374 L N 0.459 121.611 121.223 -0.118 0.000 2.610 374 L HA -0.047 4.295 4.340 0.003 0.000 0.232 374 L C 2.078 178.906 176.870 -0.071 0.000 1.149 374 L CA 1.552 56.311 54.840 -0.135 0.000 0.872 374 L CB -1.746 40.165 42.059 -0.247 0.000 0.992 374 L HN 0.468 nan 8.230 nan 0.000 0.447 375 T N -4.324 110.197 114.554 -0.054 0.000 2.857 375 T HA -0.043 4.309 4.350 0.003 0.000 0.266 375 T C 1.004 175.690 174.700 -0.022 0.000 1.048 375 T CA 0.772 62.852 62.100 -0.034 0.000 1.139 375 T CB -1.155 67.694 68.868 -0.031 0.000 0.874 375 T HN 0.411 nan 8.240 nan 0.000 0.455 376 D N 3.466 123.852 120.400 -0.024 0.000 2.363 376 D HA 0.340 4.981 4.640 0.003 0.000 0.263 376 D C -1.467 174.829 176.300 -0.007 0.000 1.258 376 D CA -1.688 52.303 54.000 -0.016 0.000 0.907 376 D CB -0.058 40.730 40.800 -0.019 0.000 1.107 376 D HN 0.240 nan 8.370 nan 0.000 0.495 377 P HA -0.136 nan 4.420 nan 0.000 0.223 377 P C 1.044 178.355 177.300 0.020 0.000 1.144 377 P CA 0.975 64.081 63.100 0.010 0.000 0.783 377 P CB 0.213 31.918 31.700 0.008 0.000 0.771 378 N N -1.340 117.368 118.700 0.012 0.000 2.395 378 N HA -0.059 4.682 4.740 0.003 0.000 0.175 378 N C 1.367 176.894 175.510 0.029 0.000 1.029 378 N CA 0.694 53.753 53.050 0.016 0.000 0.897 378 N CB -1.537 36.950 38.487 0.000 0.000 0.991 378 N HN -0.009 nan 8.380 nan 0.000 0.441 379 V N 1.088 121.016 119.914 0.023 0.000 2.307 379 V HA -0.094 4.027 4.120 0.003 0.000 0.245 379 V C 2.603 178.751 176.094 0.090 0.000 1.045 379 V CA 1.801 64.124 62.300 0.040 0.000 1.024 379 V CB -1.181 30.643 31.823 0.001 0.000 0.651 379 V HN 0.481 nan 8.190 nan 0.000 0.449 380 A N 0.012 122.871 122.820 0.066 0.000 1.978 380 A HA -0.124 4.198 4.320 0.003 0.000 0.220 380 A C 2.392 180.066 177.584 0.150 0.000 1.170 380 A CA 2.075 54.178 52.037 0.111 0.000 0.636 380 A CB -0.665 18.371 19.000 0.060 0.000 0.810 380 A HN 0.574 nan 8.150 nan 0.000 0.448 381 A N -0.281 122.601 122.820 0.104 0.000 1.898 381 A HA 0.215 4.537 4.320 0.003 0.000 0.216 381 A C 2.460 180.120 177.584 0.126 0.000 1.181 381 A CA 1.921 54.014 52.037 0.093 0.000 0.620 381 A CB -0.869 18.167 19.000 0.060 0.000 0.819 381 A HN 1.019 nan 8.150 nan 0.000 0.442 382 A N -2.001 120.913 122.820 0.156 0.000 1.970 382 A HA 0.024 4.346 4.320 0.003 0.000 0.216 382 A C 2.075 179.835 177.584 0.293 0.000 1.170 382 A CA 1.365 53.546 52.037 0.240 0.000 0.645 382 A CB -0.664 18.454 19.000 0.197 0.000 0.816 382 A HN 0.686 nan 8.150 nan 0.000 0.447 383 Y N 0.615 120.986 120.300 0.118 0.000 2.293 383 Y HA 0.024 4.576 4.550 0.003 0.000 0.291 383 Y C 2.417 178.349 175.900 0.053 0.000 1.137 383 Y CA 0.972 59.121 58.100 0.081 0.000 1.202 383 Y CB -0.270 38.224 38.460 0.056 0.000 0.990 383 Y HN 0.283 nan 8.280 nan 0.000 0.537 384 A N -0.252 122.611 122.820 0.073 0.000 2.066 384 A HA -0.109 4.213 4.320 0.003 0.000 0.218 384 A C 2.244 179.792 177.584 -0.059 0.000 1.157 384 A CA 1.405 53.427 52.037 -0.026 0.000 0.670 384 A CB -0.691 18.339 19.000 0.050 0.000 0.804 384 A HN 0.630 nan 8.150 nan 0.000 0.453 385 M N -0.822 118.778 119.600 -0.000 0.000 2.287 385 M HA 0.057 4.538 4.480 0.003 0.000 0.266 385 M C 1.559 177.802 176.300 -0.095 0.000 1.079 385 M CA 1.128 56.431 55.300 0.005 0.000 1.146 385 M CB -0.011 32.668 32.600 0.132 0.000 1.374 385 M HN 0.276 nan 8.290 nan 0.000 0.435 386 I N 0.264 120.734 120.570 -0.166 0.000 2.252 386 I HA -0.237 3.934 4.170 0.003 0.000 0.245 386 I C 2.156 178.140 176.117 -0.222 0.000 1.102 386 I CA 1.291 62.420 61.300 -0.285 0.000 1.385 386 I CB -1.117 36.700 38.000 -0.305 0.000 1.064 386 I HN 0.324 nan 8.210 nan 0.000 0.414 387 L N 0.927 121.983 121.223 -0.279 0.000 2.191 387 L HA -0.082 4.259 4.340 0.003 0.000 0.212 387 L C 2.410 179.174 176.870 -0.176 0.000 1.103 387 L CA 1.553 56.235 54.840 -0.264 0.000 0.769 387 L CB -0.990 40.860 42.059 -0.348 0.000 0.908 387 L HN 0.213 nan 8.230 nan 0.000 0.438 388 G N -0.238 108.463 108.800 -0.165 0.000 2.443 388 G HA2 -0.148 3.813 3.960 0.003 0.000 0.219 388 G HA3 -0.148 3.813 3.960 0.003 0.000 0.219 388 G C 1.202 176.006 174.900 -0.160 0.000 1.131 388 G CA 0.841 45.835 45.100 -0.176 0.000 0.775 388 G HN 0.571 nan 8.290 nan 0.000 0.547 389 I N -2.508 117.989 120.570 -0.122 0.000 3.816 389 I HA 0.464 4.636 4.170 0.003 0.000 0.334 389 I C 0.944 177.017 176.117 -0.073 0.000 1.551 389 I CA -0.230 61.020 61.300 -0.083 0.000 1.153 389 I CB 0.926 38.895 38.000 -0.052 0.000 1.197 389 I HN -0.146 nan 8.210 nan 0.000 0.439 390 D N 2.280 122.623 120.400 -0.095 0.000 2.149 390 D HA -0.085 4.557 4.640 0.003 0.000 0.201 390 D C 2.325 178.547 176.300 -0.130 0.000 0.972 390 D CA 1.631 55.570 54.000 -0.102 0.000 0.835 390 D CB 0.396 41.126 40.800 -0.116 0.000 0.966 390 D HN 0.455 nan 8.370 nan 0.000 0.476 391 A N 0.437 123.189 122.820 -0.114 0.000 1.972 391 A HA -0.113 4.209 4.320 0.003 0.000 0.219 391 A C 2.165 179.678 177.584 -0.118 0.000 1.169 391 A CA 0.789 52.757 52.037 -0.117 0.000 0.635 391 A CB -0.581 18.360 19.000 -0.097 0.000 0.810 391 A HN 0.296 nan 8.150 nan 0.000 0.446 392 I N -0.049 120.474 120.570 -0.078 0.000 2.179 392 I HA -0.229 3.943 4.170 0.003 0.000 0.242 392 I C 2.362 178.514 176.117 0.059 0.000 1.088 392 I CA 1.420 62.708 61.300 -0.021 0.000 1.357 392 I CB -1.216 36.784 38.000 0.000 0.000 1.051 392 I HN 0.311 nan 8.210 nan 0.000 0.409 393 L N -0.234 121.000 121.223 0.018 0.000 2.291 393 L HA -0.151 4.191 4.340 0.003 0.000 0.214 393 L C 2.231 178.983 176.870 -0.196 0.000 1.120 393 L CA 0.802 55.639 54.840 -0.005 0.000 0.799 393 L CB -0.517 41.566 42.059 0.040 0.000 0.925 393 L HN 0.241 nan 8.230 nan 0.000 0.446 394 D N 0.278 120.539 120.400 -0.232 0.000 2.123 394 D HA -0.139 4.503 4.640 0.003 0.000 0.200 394 D C 2.304 178.450 176.300 -0.256 0.000 0.976 394 D CA 1.084 54.918 54.000 -0.275 0.000 0.831 394 D CB 0.161 40.823 40.800 -0.230 0.000 0.974 394 D HN 0.239 nan 8.370 nan 0.000 0.469 395 M N 0.095 119.503 119.600 -0.319 0.000 2.115 395 M HA -0.137 4.345 4.480 0.003 0.000 0.258 395 M C 2.418 178.475 176.300 -0.405 0.000 1.071 395 M CA 2.045 56.982 55.300 -0.606 0.000 1.100 395 M CB -0.803 31.096 32.600 -1.169 0.000 1.292 395 M HN 0.018 nan 8.290 nan 0.000 0.415 396 G N -0.080 108.616 108.800 -0.173 0.000 2.422 396 G HA2 -0.231 3.730 3.960 0.003 0.000 0.218 396 G HA3 -0.231 3.730 3.960 0.003 0.000 0.218 396 G C 1.546 176.376 174.900 -0.117 0.000 1.146 396 G CA 1.020 46.119 45.100 -0.003 0.000 0.769 396 G HN 0.471 nan 8.290 nan 0.000 0.547 397 R N 0.004 120.378 120.500 -0.210 0.000 2.073 397 R HA -0.080 4.262 4.340 0.003 0.000 0.234 397 R C 2.369 178.628 176.300 -0.068 0.000 1.134 397 R CA 2.091 58.103 56.100 -0.147 0.000 0.952 397 R CB -0.808 29.360 30.300 -0.221 0.000 0.850 397 R HN 0.274 nan 8.270 nan 0.000 0.433 398 T N 1.418 115.926 114.554 -0.076 0.000 2.777 398 T HA -0.128 4.224 4.350 0.003 0.000 0.266 398 T C 1.752 176.476 174.700 0.041 0.000 1.040 398 T CA 1.392 63.474 62.100 -0.031 0.000 1.141 398 T CB -0.185 68.653 68.868 -0.051 0.000 0.868 398 T HN 0.283 nan 8.240 nan 0.000 0.444 399 M N 1.092 120.753 119.600 0.102 0.000 2.108 399 M HA -0.122 4.360 4.480 0.003 0.000 0.261 399 M C 2.077 178.464 176.300 0.146 0.000 1.066 399 M CA 1.607 57.012 55.300 0.175 0.000 1.107 399 M CB -0.300 32.498 32.600 0.331 0.000 1.356 399 M HN 0.103 nan 8.290 nan 0.000 0.406 400 V N 1.213 121.209 119.914 0.137 0.000 2.548 400 V HA -0.241 3.880 4.120 0.003 0.000 0.249 400 V C 1.951 178.143 176.094 0.162 0.000 1.055 400 V CA 1.556 63.969 62.300 0.188 0.000 1.065 400 V CB -1.074 30.848 31.823 0.166 0.000 0.681 400 V HN 0.512 nan 8.190 nan 0.000 0.462 401 N N 0.412 119.164 118.700 0.086 0.000 2.104 401 N HA -0.138 4.604 4.740 0.003 0.000 0.190 401 N C 1.767 177.294 175.510 0.029 0.000 1.024 401 N CA 1.464 54.541 53.050 0.045 0.000 0.853 401 N CB -0.497 37.992 38.487 0.003 0.000 1.008 401 N HN 0.360 nan 8.380 nan 0.000 0.424 402 V N 0.918 120.855 119.914 0.038 0.000 2.379 402 V HA -0.142 3.979 4.120 0.003 0.000 0.245 402 V C 2.162 178.272 176.094 0.027 0.000 1.044 402 V CA 1.621 63.939 62.300 0.030 0.000 1.036 402 V CB -0.901 30.947 31.823 0.041 0.000 0.664 402 V HN 0.323 nan 8.190 nan 0.000 0.453 403 T N 0.566 115.142 114.554 0.037 0.000 2.720 403 T HA -0.158 4.194 4.350 0.003 0.000 0.268 403 T C 1.940 176.497 174.700 -0.237 0.000 1.037 403 T CA 1.630 63.722 62.100 -0.013 0.000 1.144 403 T CB -0.702 68.203 68.868 0.063 0.000 0.864 403 T HN 0.619 nan 8.240 nan 0.000 0.444 404 G N 1.770 110.434 108.800 -0.226 0.000 2.442 404 G HA2 -0.258 3.704 3.960 0.003 0.000 0.219 404 G HA3 -0.258 3.704 3.960 0.003 0.000 0.219 404 G C 1.272 176.229 174.900 0.095 0.000 1.141 404 G CA 1.115 46.131 45.100 -0.140 0.000 0.763 404 G HN 0.411 nan 8.290 nan 0.000 0.554 405 D N 0.515 120.957 120.400 0.070 0.000 2.097 405 D HA -0.060 4.581 4.640 0.003 0.000 0.195 405 D C 2.618 178.980 176.300 0.104 0.000 0.989 405 D CA 0.496 54.574 54.000 0.131 0.000 0.827 405 D CB -0.426 40.408 40.800 0.057 0.000 0.966 405 D HN 0.298 nan 8.370 nan 0.000 0.456 406 L N 0.669 121.942 121.223 0.083 0.000 2.093 406 L HA -0.133 4.208 4.340 0.003 0.000 0.208 406 L C 2.481 179.493 176.870 0.236 0.000 1.085 406 L CA 1.135 56.062 54.840 0.146 0.000 0.755 406 L CB -0.499 41.633 42.059 0.122 0.000 0.904 406 L HN 0.043 nan 8.230 nan 0.000 0.435 407 T N -0.619 113.999 114.554 0.107 0.000 2.746 407 T HA -0.145 4.206 4.350 0.003 0.000 0.267 407 T C 1.809 176.300 174.700 -0.347 0.000 1.039 407 T CA 1.359 63.316 62.100 -0.238 0.000 1.142 407 T CB -0.618 68.016 68.868 -0.390 0.000 0.866 407 T HN 0.553 nan 8.240 nan 0.000 0.444 408 G N 1.118 109.637 108.800 -0.468 0.000 2.418 408 G HA2 -0.210 3.752 3.960 0.003 0.000 0.217 408 G HA3 -0.210 3.752 3.960 0.003 0.000 0.217 408 G C 1.722 176.268 174.900 -0.591 0.000 1.158 408 G CA 1.429 45.837 45.100 -1.154 0.000 0.771 408 G HN 0.451 nan 8.290 nan 0.000 0.545 409 T N 1.787 116.195 114.554 -0.243 0.000 2.674 409 T HA -0.016 4.336 4.350 0.003 0.000 0.265 409 T C 2.847 177.483 174.700 -0.107 0.000 1.039 409 T CA 1.680 63.713 62.100 -0.112 0.000 1.150 409 T CB -0.513 68.367 68.868 0.020 0.000 0.864 409 T HN 0.367 nan 8.240 nan 0.000 0.427 410 A N 0.951 123.736 122.820 -0.059 0.000 1.908 410 A HA -0.081 4.241 4.320 0.003 0.000 0.218 410 A C 2.312 179.811 177.584 -0.142 0.000 1.181 410 A CA 1.428 53.446 52.037 -0.032 0.000 0.627 410 A CB -0.877 18.184 19.000 0.101 0.000 0.818 410 A HN 0.526 nan 8.150 nan 0.000 0.445 411 I N -0.668 119.728 120.570 -0.289 0.000 2.142 411 I HA -0.206 3.966 4.170 0.003 0.000 0.240 411 I C 2.322 178.220 176.117 -0.364 0.000 1.078 411 I CA 1.295 62.338 61.300 -0.429 0.000 1.343 411 I CB -0.245 37.357 38.000 -0.663 0.000 1.046 411 I HN 0.161 nan 8.210 nan 0.000 0.405 412 V N 0.838 120.554 119.914 -0.330 0.000 2.515 412 V HA -0.212 3.909 4.120 0.003 0.000 0.250 412 V C 2.566 178.597 176.094 -0.106 0.000 1.058 412 V CA 1.688 63.860 62.300 -0.213 0.000 1.064 412 V CB -0.918 30.779 31.823 -0.210 0.000 0.675 412 V HN 0.482 nan 8.190 nan 0.000 0.461 413 A N -0.261 122.508 122.820 -0.085 0.000 2.015 413 A HA -0.209 4.113 4.320 0.003 0.000 0.219 413 A C 2.301 179.874 177.584 -0.018 0.000 1.163 413 A CA 1.925 53.946 52.037 -0.027 0.000 0.646 413 A CB -0.339 18.663 19.000 0.003 0.000 0.806 413 A HN 0.519 nan 8.150 nan 0.000 0.448 414 K N -0.773 119.608 120.400 -0.031 0.000 2.186 414 K HA -0.048 4.274 4.320 0.003 0.000 0.202 414 K C 1.799 178.418 176.600 0.033 0.000 1.052 414 K CA 1.391 57.682 56.287 0.008 0.000 0.965 414 K CB -0.096 32.421 32.500 0.027 0.000 0.746 414 K HN 0.454 nan 8.250 nan 0.000 0.457 415 T N 0.364 114.929 114.554 0.018 0.000 2.788 415 T HA -0.109 4.243 4.350 0.003 0.000 0.268 415 T C 0.829 175.546 174.700 0.028 0.000 1.044 415 T CA 0.935 63.065 62.100 0.051 0.000 1.139 415 T CB -0.130 68.757 68.868 0.030 0.000 0.867 415 T HN 0.219 nan 8.240 nan 0.000 0.454 416 E N 0.000 120.204 120.200 0.007 0.000 2.725 416 E HA 0.000 4.352 4.350 0.003 0.000 0.291 416 E CA 0.000 56.403 56.400 0.004 0.000 0.976 416 E CB 0.000 29.698 29.700 -0.003 0.000 0.812 416 E HN 0.000 nan 8.360 nan 0.000 0.440