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 3hyl_1_A DATA FIRST_RESID 4 DATA SEQUENCE SIEQLSINTI RTLSIDAIEK ANSGHPGXPX GAAPXAYTLW TQFXKHNPNN DATA SEQUENCE PTWFNRDRFV LSAGHGSXLL YSLLHLSGYD VTXDDLKNFR QWGSKTPGHP DATA SEQUENCE EYGHTAGVDA TTGPLGQGIA TAVGXAXAER HLAAKYNRDA YNIVDHYTYA DATA SEQUENCE ICGDGDLXEG VSAEASSLAA HLQLGRLVVL YDSNDISLDG DLNRSFSESV DATA SEQUENCE EDRYKAYGWQ VIRVEDGNDI EAIAKAIEEA KADEKRPTLI EVRTTIGFGS DATA SEQUENCE PNKSGKSASH GSPLGVEETK LTKEAYAWTA EQDFHVAEEV YENFRKTVQD DATA SEQUENCE VGETAQAEWN TXLGEYAQAY PELANELQAA XNGLLPEGWE QNLPTYELGS DATA SEQUENCE KAATRNSSGA VINAIAESVP SFFGGSADLA GSNKTYXNNE KDFTRDDYSG DATA SEQUENCE KNIWYGVREF AXGAAXNGIA LHGGLKTYGG TFFVFSDYLR PAIRLAALXQ DATA SEQUENCE LPVTYVFTHD SIAVGEDGPT HEPIEQLAAL RAXPNVSVIR PADGNESVAA DATA SEQUENCE WRLALESTNK PTALVLTRQD LPTLEGAKDD TYEKVAKGAY VVSASKKETA DATA SEQUENCE DVILLATGSE VSLAVEAQKA LAVDGVDASV VSXPSXDRFE AQTAEYKESV DATA SEQUENCE LPKAVTKRFA IEXGATFGWH RYVGLEGDVL GIDTFGASAP GEKIXEEYGF DATA SEQUENCE TVENVVRKVK EXL 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.585 174.600 -0.024 0.000 1.055 4 S CA 0.000 58.191 58.200 -0.014 0.000 1.107 4 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 5 I N 2.144 122.700 120.570 -0.025 0.000 2.286 5 I HA -0.064 4.106 4.170 -0.001 0.000 0.245 5 I C 1.789 177.853 176.117 -0.088 0.000 1.104 5 I CA 1.748 63.029 61.300 -0.032 0.000 1.397 5 I CB -0.145 37.848 38.000 -0.012 0.000 1.072 5 I HN 0.316 nan 8.210 nan 0.000 0.417 6 E N 0.499 120.634 120.200 -0.108 0.000 2.058 6 E HA -0.321 4.029 4.350 -0.001 0.000 0.194 6 E C 1.964 178.344 176.600 -0.367 0.000 0.997 6 E CA 1.367 57.599 56.400 -0.281 0.000 0.801 6 E CB -0.339 29.291 29.700 -0.117 0.000 0.746 6 E HN 0.383 nan 8.360 nan 0.000 0.450 7 Q N 0.304 119.995 119.800 -0.180 0.000 2.096 7 Q HA -0.134 4.206 4.340 -0.001 0.000 0.204 7 Q C 2.030 177.967 176.000 -0.105 0.000 0.982 7 Q CA 1.091 56.814 55.803 -0.133 0.000 0.850 7 Q CB -0.452 28.258 28.738 -0.046 0.000 0.901 7 Q HN 0.339 nan 8.270 nan 0.000 0.422 8 L N -0.176 121.014 121.223 -0.056 0.000 2.012 8 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 8 L C 2.138 179.016 176.870 0.013 0.000 1.073 8 L CA 2.236 57.091 54.840 0.025 0.000 0.748 8 L CB -1.042 41.032 42.059 0.026 0.000 0.891 8 L HN 0.149 nan 8.230 nan 0.000 0.431 9 S N -0.405 115.237 115.700 -0.096 0.000 2.370 9 S HA -0.173 4.297 4.470 -0.001 0.000 0.226 9 S C 1.975 176.497 174.600 -0.130 0.000 1.033 9 S CA 1.828 59.992 58.200 -0.060 0.000 1.011 9 S CB -0.487 62.613 63.200 -0.166 0.000 0.852 9 S HN 0.479 nan 8.310 nan 0.000 0.457 10 I N 1.981 122.352 120.570 -0.332 0.000 2.226 10 I HA -0.203 3.967 4.170 -0.001 0.000 0.245 10 I C 1.812 177.794 176.117 -0.224 0.000 1.100 10 I CA 0.960 62.094 61.300 -0.276 0.000 1.374 10 I CB -0.308 37.510 38.000 -0.303 0.000 1.057 10 I HN 0.218 nan 8.210 nan 0.000 0.413 11 N N -0.135 118.443 118.700 -0.203 0.000 2.396 11 N HA -0.087 4.653 4.740 -0.001 0.000 0.180 11 N C 1.730 176.998 175.510 -0.405 0.000 1.028 11 N CA 1.174 54.031 53.050 -0.323 0.000 0.893 11 N CB -0.373 38.041 38.487 -0.121 0.000 0.967 11 N HN 0.302 nan 8.380 nan 0.000 0.440 12 T N 1.186 115.645 114.554 -0.158 0.000 2.812 12 T HA 0.084 4.434 4.350 -0.001 0.000 0.264 12 T C 2.061 176.619 174.700 -0.236 0.000 1.042 12 T CA 0.503 62.506 62.100 -0.161 0.000 1.140 12 T CB -0.070 68.847 68.868 0.081 0.000 0.870 12 T HN 0.147 nan 8.240 nan 0.000 0.445 13 I N 0.967 121.432 120.570 -0.174 0.000 2.127 13 I HA -0.233 3.937 4.170 -0.001 0.000 0.241 13 I C 2.851 178.825 176.117 -0.238 0.000 1.075 13 I CA 1.432 62.627 61.300 -0.176 0.000 1.334 13 I CB -0.389 37.538 38.000 -0.122 0.000 1.040 13 I HN 0.134 nan 8.210 nan 0.000 0.405 14 R N -0.210 120.111 120.500 -0.299 0.000 2.094 14 R HA -0.202 4.138 4.340 -0.001 0.000 0.239 14 R C 2.418 178.507 176.300 -0.352 0.000 1.137 14 R CA 2.208 58.110 56.100 -0.331 0.000 0.943 14 R CB -0.856 29.136 30.300 -0.513 0.000 0.850 14 R HN 0.335 nan 8.270 nan 0.000 0.433 15 T N 0.763 115.002 114.554 -0.524 0.000 2.896 15 T HA -0.017 4.333 4.350 -0.001 0.000 0.263 15 T C 1.756 176.197 174.700 -0.432 0.000 1.050 15 T CA 0.433 62.170 62.100 -0.605 0.000 1.140 15 T CB 0.006 68.113 68.868 -1.268 0.000 0.877 15 T HN -0.059 nan 8.240 nan 0.000 0.457 16 L N 1.315 122.341 121.223 -0.327 0.000 1.989 16 L HA -0.053 4.286 4.340 -0.001 0.000 0.211 16 L C 2.806 179.556 176.870 -0.199 0.000 1.071 16 L CA 1.708 56.434 54.840 -0.189 0.000 0.749 16 L CB -1.394 40.612 42.059 -0.089 0.000 0.890 16 L HN 0.212 nan 8.230 nan 0.000 0.431 17 S N -0.488 115.084 115.700 -0.213 0.000 2.359 17 S HA -0.197 4.272 4.470 -0.001 0.000 0.223 17 S C 2.024 176.500 174.600 -0.206 0.000 1.039 17 S CA 1.677 59.743 58.200 -0.224 0.000 1.042 17 S CB -0.366 62.712 63.200 -0.204 0.000 0.915 17 S HN 0.359 nan 8.310 nan 0.000 0.439 18 I N 1.450 121.901 120.570 -0.197 0.000 2.179 18 I HA -0.209 3.961 4.170 -0.001 0.000 0.242 18 I C 2.086 178.088 176.117 -0.191 0.000 1.088 18 I CA 1.257 62.461 61.300 -0.160 0.000 1.357 18 I CB -0.364 37.547 38.000 -0.148 0.000 1.051 18 I HN 0.178 nan 8.210 nan 0.000 0.409 19 D N 0.829 121.032 120.400 -0.328 0.000 2.117 19 D HA -0.113 4.527 4.640 -0.001 0.000 0.198 19 D C 2.256 178.329 176.300 -0.379 0.000 0.982 19 D CA 1.468 55.151 54.000 -0.528 0.000 0.828 19 D CB -0.185 39.996 40.800 -1.031 0.000 0.967 19 D HN 0.322 nan 8.370 nan 0.000 0.464 20 A N 0.543 123.276 122.820 -0.146 0.000 1.940 20 A HA -0.143 4.177 4.320 -0.001 0.000 0.219 20 A C 2.334 180.072 177.584 0.257 0.000 1.176 20 A CA 0.931 53.127 52.037 0.265 0.000 0.631 20 A CB -0.645 18.424 19.000 0.114 0.000 0.814 20 A HN 0.225 nan 8.150 nan 0.000 0.446 21 I N -0.698 119.939 120.570 0.111 0.000 2.439 21 I HA -0.142 4.028 4.170 -0.001 0.000 0.251 21 I C 2.337 178.532 176.117 0.131 0.000 1.139 21 I CA 0.805 62.225 61.300 0.201 0.000 1.438 21 I CB -0.250 37.807 38.000 0.095 0.000 1.085 21 I HN 0.271 nan 8.210 nan 0.000 0.427 22 E N 1.033 121.265 120.200 0.052 0.000 2.077 22 E HA -0.260 4.090 4.350 -0.001 0.000 0.193 22 E C 2.049 178.701 176.600 0.088 0.000 0.989 22 E CA 1.160 57.581 56.400 0.035 0.000 0.800 22 E CB -0.209 29.477 29.700 -0.024 0.000 0.746 22 E HN 0.432 nan 8.360 nan 0.000 0.452 23 K N 0.559 121.051 120.400 0.153 0.000 2.057 23 K HA -0.029 4.291 4.320 -0.001 0.000 0.206 23 K C 1.985 178.685 176.600 0.168 0.000 1.050 23 K CA 1.115 57.525 56.287 0.204 0.000 0.935 23 K CB -0.025 32.694 32.500 0.365 0.000 0.715 23 K HN 0.044 nan 8.250 nan 0.000 0.439 24 A N 1.143 124.083 122.820 0.200 0.000 2.066 24 A HA -0.106 4.213 4.320 -0.001 0.000 0.218 24 A C 0.826 178.459 177.584 0.082 0.000 1.157 24 A CA 1.114 53.233 52.037 0.137 0.000 0.670 24 A CB -0.532 18.560 19.000 0.153 0.000 0.804 24 A HN 0.702 nan 8.150 nan 0.000 0.453 25 N N -1.304 117.448 118.700 0.087 0.000 2.721 25 N HA -0.172 4.568 4.740 -0.001 0.000 0.249 25 N C -0.420 175.108 175.510 0.029 0.000 1.072 25 N CA 1.089 54.168 53.050 0.048 0.000 0.710 25 N CB -1.445 37.063 38.487 0.035 0.000 0.993 25 N HN 0.513 nan 8.380 nan 0.000 0.547 26 S N -1.416 114.311 115.700 0.046 0.000 2.542 26 S HA 0.751 5.220 4.470 -0.001 0.000 0.276 26 S C -0.356 174.287 174.600 0.073 0.000 1.148 26 S CA 0.435 58.640 58.200 0.008 0.000 0.886 26 S CB 1.213 64.393 63.200 -0.034 0.000 1.109 26 S HN 1.310 nan 8.310 nan 0.000 0.458 27 G N 2.591 111.393 108.800 0.004 0.000 2.353 27 G HA2 0.258 4.217 3.960 -0.001 0.000 0.424 27 G HA3 0.258 4.217 3.960 -0.001 0.000 0.424 27 G C -2.210 172.617 174.900 -0.121 0.000 1.320 27 G CA -0.874 44.313 45.100 0.145 0.000 0.995 27 G HN 0.893 nan 8.290 nan 0.000 0.580 28 H N 1.083 120.178 119.070 0.042 0.000 2.786 28 H HA 0.509 5.065 4.556 -0.001 0.000 0.284 28 H C -1.748 173.543 175.328 -0.063 0.000 1.104 28 H CA -1.528 54.469 56.048 -0.084 0.000 1.339 28 H CB 1.889 31.561 29.762 -0.149 0.000 1.427 28 H HN 0.308 nan 8.280 nan 0.000 0.497 29 P HA 0.054 nan 4.420 nan 0.000 0.228 29 P C 1.209 178.519 177.300 0.017 0.000 1.166 29 P CA 0.356 63.453 63.100 -0.004 0.000 0.812 29 P CB 0.512 32.201 31.700 -0.019 0.000 0.857 35 A N 0.721 123.538 122.820 -0.005 0.000 2.343 35 A HA 0.759 5.078 4.320 -0.001 0.000 0.223 35 A C 2.338 179.912 177.584 -0.017 0.000 1.214 35 A CA 1.544 53.575 52.037 -0.011 0.000 0.900 35 A CB -0.134 18.872 19.000 0.010 0.000 0.942 35 A HN 1.184 nan 8.150 nan 0.000 0.507 36 A N 0.950 123.748 122.820 -0.037 0.000 1.948 36 A HA 0.011 4.331 4.320 -0.001 0.000 0.220 36 A C -0.911 176.674 177.584 0.002 0.000 1.177 36 A CA 1.236 53.248 52.037 -0.041 0.000 0.636 36 A CB -1.430 17.517 19.000 -0.089 0.000 0.815 36 A HN 0.441 nan 8.150 nan 0.000 0.449 40 Y N 2.392 122.705 120.300 0.022 0.000 2.128 40 Y HA -0.182 4.367 4.550 -0.000 0.000 0.284 40 Y C 2.425 178.382 175.900 0.095 0.000 1.154 40 Y CA 3.171 61.313 58.100 0.069 0.000 1.149 40 Y CB -0.453 38.022 38.460 0.025 0.000 0.976 40 Y HN 0.311 nan 8.280 nan 0.000 0.505 41 T N 1.384 116.008 114.554 0.117 0.000 2.708 41 T HA -0.215 4.134 4.350 -0.001 0.000 0.266 41 T C 1.771 176.524 174.700 0.088 0.000 1.037 41 T CA 1.618 63.757 62.100 0.065 0.000 1.146 41 T CB -0.703 68.267 68.868 0.171 0.000 0.865 41 T HN 0.385 nan 8.240 nan 0.000 0.435 42 L N 0.251 121.527 121.223 0.089 0.000 2.056 42 L HA 0.046 4.386 4.340 -0.001 0.000 0.207 42 L C 2.172 179.027 176.870 -0.025 0.000 1.078 42 L CA 1.614 56.470 54.840 0.027 0.000 0.749 42 L CB -0.752 41.244 42.059 -0.106 0.000 0.901 42 L HN 0.417 nan 8.230 nan 0.000 0.433 43 W N 0.321 121.494 121.300 -0.211 0.000 2.409 43 W HA -0.176 4.483 4.660 -0.000 0.000 0.299 43 W C 2.195 178.687 176.519 -0.044 0.000 1.203 43 W CA 2.459 59.701 57.345 -0.171 0.000 1.298 43 W CB -0.320 29.069 29.460 -0.117 0.000 1.127 43 W HN 0.475 nan 8.180 nan 0.000 0.528 44 T N -2.362 112.186 114.554 -0.010 0.000 3.051 44 T HA 0.030 4.380 4.350 -0.001 0.000 0.255 44 T C 1.446 175.996 174.700 -0.250 0.000 1.085 44 T CA 0.688 62.672 62.100 -0.194 0.000 1.109 44 T CB 0.070 68.547 68.868 -0.652 0.000 0.921 44 T HN 0.197 nan 8.240 nan 0.000 0.488 45 Q N -0.820 118.814 119.800 -0.278 0.000 2.316 45 Q HA 0.391 4.731 4.340 -0.001 0.000 0.235 45 Q C -0.617 174.901 176.000 -0.804 0.000 0.863 45 Q CA 0.048 55.544 55.803 -0.513 0.000 0.939 45 Q CB 0.751 29.153 28.738 -0.561 0.000 1.108 45 Q HN 0.458 nan 8.270 nan 0.000 0.522 49 H N -0.686 118.434 119.070 0.082 0.000 3.046 49 H HA 0.552 5.107 4.556 -0.001 0.000 0.363 49 H C -0.909 174.476 175.328 0.095 0.000 1.203 49 H CA -1.063 55.056 56.048 0.117 0.000 1.169 49 H CB 1.861 31.599 29.762 -0.040 0.000 1.851 49 H HN 0.200 nan 8.280 nan 0.000 0.546 50 N N 2.540 121.308 118.700 0.113 0.000 2.558 50 N HA 0.242 4.982 4.740 -0.001 0.000 0.242 50 N C -2.127 173.186 175.510 -0.328 0.000 0.979 50 N CA -2.767 50.196 53.050 -0.145 0.000 0.931 50 N CB 1.553 39.947 38.487 -0.157 0.000 1.122 50 N HN 0.445 nan 8.380 nan 0.000 0.508 51 P HA -0.011 nan 4.420 nan 0.000 0.221 51 P C 0.111 177.067 177.300 -0.574 0.000 1.145 51 P CA 1.250 63.657 63.100 -1.154 0.000 0.795 51 P CB 0.323 31.547 31.700 -0.793 0.000 0.775 52 N N -1.820 116.690 118.700 -0.317 0.000 2.422 52 N HA -0.035 4.705 4.740 -0.001 0.000 0.181 52 N C 0.390 175.832 175.510 -0.113 0.000 1.080 52 N CA 0.223 53.166 53.050 -0.177 0.000 0.893 52 N CB -0.199 38.203 38.487 -0.141 0.000 0.973 52 N HN 0.004 nan 8.380 nan 0.000 0.456 53 N N 0.125 118.761 118.700 -0.107 0.000 2.750 53 N HA 0.197 4.937 4.740 -0.001 0.000 0.253 53 N C -2.313 173.251 175.510 0.089 0.000 1.408 53 N CA -2.029 51.017 53.050 -0.006 0.000 0.780 53 N CB 1.013 39.486 38.487 -0.024 0.000 1.191 53 N HN -0.127 nan 8.380 nan 0.000 0.511 54 P HA -0.026 nan 4.420 nan 0.000 0.228 54 P C 0.587 178.015 177.300 0.214 0.000 1.151 54 P CA 0.923 64.184 63.100 0.269 0.000 0.770 54 P CB 0.399 32.317 31.700 0.363 0.000 0.786 55 T N -1.506 113.152 114.554 0.174 0.000 3.069 55 T HA 0.059 4.408 4.350 -0.001 0.000 0.252 55 T C -0.096 174.704 174.700 0.166 0.000 1.053 55 T CA -0.559 61.630 62.100 0.149 0.000 0.964 55 T CB -0.511 68.437 68.868 0.135 0.000 1.005 55 T HN 0.066 nan 8.240 nan 0.000 0.532 56 W N 1.776 123.043 121.300 -0.054 0.000 2.520 56 W HA 0.070 4.729 4.660 -0.001 0.000 0.337 56 W C 0.482 176.860 176.519 -0.236 0.000 1.406 56 W CA -1.909 55.348 57.345 -0.145 0.000 1.318 56 W CB -0.549 28.794 29.460 -0.196 0.000 1.338 56 W HN 0.210 nan 8.180 nan 0.000 0.570 57 F N 4.647 124.401 119.950 -0.326 0.000 2.192 57 F HA -0.260 4.267 4.527 -0.000 0.000 0.301 57 F C 1.849 177.137 175.800 -0.854 0.000 1.079 57 F CA 2.400 60.109 58.000 -0.484 0.000 1.303 57 F CB -0.299 38.590 39.000 -0.184 0.000 1.024 57 F HN 0.453 nan 8.300 nan 0.000 0.494 58 N N -0.079 117.702 118.700 -1.531 0.000 2.214 58 N HA 0.046 4.786 4.740 -0.001 0.000 0.214 58 N C -0.002 174.388 175.510 -1.867 0.000 1.132 58 N CA -0.312 51.849 53.050 -1.483 0.000 0.856 58 N CB -0.043 37.662 38.487 -1.303 0.000 1.020 58 N HN 0.245 nan 8.380 nan 0.000 0.509 59 R N -0.184 119.123 120.500 -1.989 0.000 2.811 59 R HA 0.058 4.398 4.340 -0.001 0.000 0.265 59 R C -0.764 175.043 176.300 -0.821 0.000 1.026 59 R CA -0.059 55.310 56.100 -1.218 0.000 1.142 59 R CB 0.203 30.209 30.300 -0.490 0.000 1.027 59 R HN 0.001 nan 8.270 nan 0.000 0.465 60 D N 1.398 121.583 120.400 -0.359 0.000 2.414 60 D HA 0.082 4.722 4.640 -0.001 0.000 0.242 60 D C 0.001 176.212 176.300 -0.147 0.000 1.129 60 D CA 0.200 54.132 54.000 -0.113 0.000 0.885 60 D CB 0.672 41.579 40.800 0.178 0.000 1.198 60 D HN 0.283 nan 8.370 nan 0.000 0.437 61 R N 1.287 121.751 120.500 -0.060 0.000 2.500 61 R HA 0.543 4.883 4.340 -0.001 0.000 0.277 61 R C -0.485 175.931 176.300 0.193 0.000 1.026 61 R CA -0.684 55.409 56.100 -0.011 0.000 1.058 61 R CB 0.648 30.931 30.300 -0.028 0.000 1.078 61 R HN 0.413 nan 8.270 nan 0.000 0.509 62 F N 0.693 120.656 119.950 0.023 0.000 2.581 62 F HA 0.447 4.974 4.527 -0.001 0.000 0.311 62 F C -1.366 174.488 175.800 0.089 0.000 1.113 62 F CA -0.797 57.258 58.000 0.092 0.000 0.935 62 F CB 1.670 40.709 39.000 0.065 0.000 1.232 62 F HN 0.110 nan 8.300 nan 0.000 0.445 63 V N 7.283 126.650 119.914 -0.912 0.000 2.443 63 V HA 0.272 4.391 4.120 -0.001 0.000 0.293 63 V C -0.319 175.279 176.094 -0.827 0.000 1.021 63 V CA -0.769 61.159 62.300 -0.620 0.000 0.848 63 V CB 1.737 33.394 31.823 -0.277 0.000 0.998 63 V HN 0.798 nan 8.190 nan 0.000 0.424 64 L N 3.869 124.776 121.223 -0.527 0.000 2.395 64 L HA 0.172 4.512 4.340 -0.001 0.000 0.268 64 L C 1.691 178.456 176.870 -0.175 0.000 1.223 64 L CA 0.339 55.020 54.840 -0.265 0.000 1.093 64 L CB 0.854 42.885 42.059 -0.047 0.000 1.349 64 L HN 0.913 nan 8.230 nan 0.000 0.427 65 S N 3.154 118.751 115.700 -0.172 0.000 2.370 65 S HA -0.112 4.358 4.470 -0.001 0.000 0.226 65 S C 1.350 175.895 174.600 -0.092 0.000 1.033 65 S CA 1.219 59.353 58.200 -0.109 0.000 1.011 65 S CB 0.061 63.205 63.200 -0.093 0.000 0.852 65 S HN 0.738 nan 8.310 nan 0.000 0.457 66 A N 1.067 123.813 122.820 -0.124 0.000 3.030 66 A HA 0.497 4.816 4.320 -0.001 0.000 0.273 66 A C 1.455 178.800 177.584 -0.398 0.000 1.841 66 A CA 0.324 52.220 52.037 -0.236 0.000 1.479 66 A CB -0.975 17.883 19.000 -0.237 0.000 1.048 66 A HN 0.548 nan 8.150 nan 0.000 0.612 67 G N 1.219 109.917 108.800 -0.170 0.000 2.450 67 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.220 67 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.220 67 G C 1.350 176.169 174.900 -0.134 0.000 1.130 67 G CA 1.223 46.304 45.100 -0.032 0.000 0.760 67 G HN 0.999 nan 8.290 nan 0.000 0.557 68 H N -0.199 118.831 119.070 -0.067 0.000 2.489 68 H HA 0.025 4.581 4.556 -0.001 0.000 0.293 68 H C 2.226 177.333 175.328 -0.368 0.000 1.066 68 H CA 0.861 56.618 56.048 -0.485 0.000 1.305 68 H CB -0.587 28.758 29.762 -0.695 0.000 1.386 68 H HN 0.258 nan 8.280 nan 0.000 0.551 69 G N 1.923 110.455 108.800 -0.447 0.000 3.332 69 G HA2 0.016 3.976 3.960 -0.001 0.000 0.242 69 G HA3 0.016 3.976 3.960 -0.001 0.000 0.242 69 G C 0.582 175.324 174.900 -0.263 0.000 1.276 69 G CA 0.174 45.132 45.100 -0.236 0.000 0.988 69 G HN 0.593 nan 8.290 nan 0.000 0.517 73 L N 0.213 121.241 121.223 -0.325 0.000 2.027 73 L HA -0.037 4.303 4.340 -0.001 0.000 0.206 73 L C 2.315 179.052 176.870 -0.221 0.000 1.074 73 L CA 2.262 56.914 54.840 -0.314 0.000 0.745 73 L CB -0.855 41.100 42.059 -0.174 0.000 0.898 73 L HN 0.428 nan 8.230 nan 0.000 0.433 74 Y N -0.239 119.964 120.300 -0.162 0.000 2.165 74 Y HA -0.183 4.367 4.550 -0.001 0.000 0.286 74 Y C 2.875 178.691 175.900 -0.141 0.000 1.155 74 Y CA 1.002 59.030 58.100 -0.121 0.000 1.164 74 Y CB -1.546 36.857 38.460 -0.095 0.000 0.978 74 Y HN 0.200 nan 8.280 nan 0.000 0.513 75 S N 0.297 115.967 115.700 -0.051 0.000 2.359 75 S HA -0.204 4.265 4.470 -0.001 0.000 0.222 75 S C 2.238 176.693 174.600 -0.242 0.000 1.038 75 S CA 1.609 59.739 58.200 -0.116 0.000 1.051 75 S CB -0.801 62.293 63.200 -0.176 0.000 0.944 75 S HN 0.353 nan 8.310 nan 0.000 0.433 76 L N 0.905 121.861 121.223 -0.445 0.000 2.012 76 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 76 L C 2.339 178.929 176.870 -0.467 0.000 1.073 76 L CA 1.110 55.495 54.840 -0.758 0.000 0.748 76 L CB -0.627 40.537 42.059 -1.492 0.000 0.891 76 L HN 0.281 nan 8.230 nan 0.000 0.431 77 L N -1.151 119.908 121.223 -0.274 0.000 2.012 77 L HA -0.293 4.047 4.340 -0.001 0.000 0.210 77 L C 2.775 179.756 176.870 0.185 0.000 1.073 77 L CA 1.545 56.407 54.840 0.035 0.000 0.748 77 L CB -0.874 41.182 42.059 -0.005 0.000 0.891 77 L HN 0.404 nan 8.230 nan 0.000 0.431 78 H N 0.663 119.747 119.070 0.022 0.000 2.270 78 H HA -0.165 4.390 4.556 -0.001 0.000 0.299 78 H C 2.308 177.672 175.328 0.060 0.000 1.077 78 H CA 1.817 57.898 56.048 0.055 0.000 1.294 78 H CB -0.029 29.753 29.762 0.033 0.000 1.371 78 H HN 0.250 nan 8.280 nan 0.000 0.491 79 L N 0.463 121.481 121.223 -0.342 0.000 2.261 79 L HA -0.144 4.195 4.340 -0.001 0.000 0.216 79 L C 2.402 179.033 176.870 -0.400 0.000 1.114 79 L CA 1.153 55.678 54.840 -0.526 0.000 0.777 79 L CB -0.187 41.241 42.059 -1.052 0.000 0.910 79 L HN 0.221 nan 8.230 nan 0.000 0.440 80 S N -1.015 114.587 115.700 -0.163 0.000 2.524 80 S HA 0.203 4.672 4.470 -0.001 0.000 0.216 80 S C 1.390 176.085 174.600 0.159 0.000 0.987 80 S CA 0.648 58.969 58.200 0.203 0.000 0.909 80 S CB 0.760 64.346 63.200 0.643 0.000 0.781 80 S HN 0.627 nan 8.310 nan 0.000 0.521 81 G N 0.504 109.354 108.800 0.083 0.000 2.144 81 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.218 81 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.218 81 G C -0.058 174.857 174.900 0.024 0.000 0.988 81 G CA -0.487 44.612 45.100 -0.001 0.000 0.659 81 G HN 0.463 nan 8.290 nan 0.000 0.522 82 Y N 0.304 120.647 120.300 0.071 0.000 2.335 82 Y HA 0.350 4.900 4.550 -0.001 0.000 0.348 82 Y C 1.279 177.224 175.900 0.074 0.000 1.280 82 Y CA 0.467 58.626 58.100 0.098 0.000 1.504 82 Y CB 0.467 39.031 38.460 0.173 0.000 1.366 82 Y HN 0.078 nan 8.280 nan 0.000 0.621 83 D N 1.182 121.725 120.400 0.239 0.000 2.885 83 D HA 0.105 4.745 4.640 -0.001 0.000 0.234 83 D C -1.346 175.035 176.300 0.136 0.000 1.129 83 D CA 0.314 54.398 54.000 0.141 0.000 0.991 83 D CB -0.676 40.182 40.800 0.096 0.000 1.137 83 D HN 0.148 nan 8.370 nan 0.000 0.459 84 V N 2.033 122.052 119.914 0.174 0.000 2.376 84 V HA 0.291 4.411 4.120 -0.001 0.000 0.287 84 V C 0.827 177.033 176.094 0.186 0.000 1.015 84 V CA -0.726 61.648 62.300 0.124 0.000 0.834 84 V CB 1.376 33.269 31.823 0.117 0.000 1.001 84 V HN 0.392 nan 8.190 nan 0.000 0.428 88 D N 1.137 121.458 120.400 -0.132 0.000 2.157 88 D HA -0.146 4.493 4.640 -0.001 0.000 0.191 88 D C 2.096 178.325 176.300 -0.119 0.000 1.004 88 D CA 0.962 54.892 54.000 -0.116 0.000 0.854 88 D CB -0.052 40.681 40.800 -0.112 0.000 0.936 88 D HN 0.128 nan 8.370 nan 0.000 0.446 89 L N 0.774 121.900 121.223 -0.161 0.000 2.131 89 L HA -0.111 4.229 4.340 -0.001 0.000 0.210 89 L C 2.018 178.844 176.870 -0.074 0.000 1.092 89 L CA 1.445 56.228 54.840 -0.095 0.000 0.759 89 L CB -0.522 41.464 42.059 -0.122 0.000 0.903 89 L HN 0.004 nan 8.230 nan 0.000 0.435 90 K N -0.743 119.488 120.400 -0.281 0.000 2.525 90 K HA 0.008 4.328 4.320 -0.001 0.000 0.192 90 K C 0.628 177.182 176.600 -0.077 0.000 1.029 90 K CA 0.439 56.510 56.287 -0.361 0.000 1.029 90 K CB -0.137 32.031 32.500 -0.553 0.000 0.814 90 K HN 0.437 nan 8.250 nan 0.000 0.503 91 N N 0.086 118.779 118.700 -0.011 0.000 2.238 91 N HA 0.047 4.787 4.740 -0.001 0.000 0.235 91 N C -0.734 174.832 175.510 0.092 0.000 1.209 91 N CA -0.417 52.651 53.050 0.031 0.000 0.879 91 N CB 0.345 38.824 38.487 -0.013 0.000 1.136 91 N HN -0.017 nan 8.380 nan 0.000 0.517 92 F N 2.680 122.626 119.950 -0.006 0.000 2.537 92 F HA -0.180 4.346 4.527 -0.000 0.000 0.402 92 F C 1.124 176.959 175.800 0.058 0.000 1.005 92 F CA 0.735 58.762 58.000 0.045 0.000 1.203 92 F CB 0.076 39.143 39.000 0.111 0.000 0.955 92 F HN 0.194 nan 8.300 nan 0.000 0.547 93 R N 0.832 121.043 120.500 -0.481 0.000 3.875 93 R HA -0.219 4.121 4.340 -0.001 0.000 0.321 93 R C -0.651 175.558 176.300 -0.151 0.000 1.196 93 R CA 1.006 56.841 56.100 -0.442 0.000 0.868 93 R CB -1.320 28.563 30.300 -0.695 0.000 1.333 93 R HN 0.592 nan 8.270 nan 0.000 0.522 94 Q N -0.219 119.543 119.800 -0.063 0.000 2.266 94 Q HA 0.159 4.499 4.340 -0.001 0.000 0.261 94 Q C -0.168 175.872 176.000 0.067 0.000 0.985 94 Q CA -0.607 55.216 55.803 0.034 0.000 0.873 94 Q CB 0.811 29.579 28.738 0.051 0.000 1.306 94 Q HN 0.209 nan 8.270 nan 0.000 0.447 95 W N 2.252 123.538 121.300 -0.024 0.000 2.493 95 W HA -0.013 4.647 4.660 -0.001 0.000 0.337 95 W C 0.735 177.251 176.519 -0.004 0.000 1.234 95 W CA 2.378 59.717 57.345 -0.011 0.000 1.286 95 W CB 0.138 29.595 29.460 -0.006 0.000 1.188 95 W HN 0.934 nan 8.180 nan 0.000 0.564 96 G N 3.613 111.952 108.800 -0.768 0.000 2.189 96 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.267 96 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.267 96 G C 0.488 175.262 174.900 -0.210 0.000 0.975 96 G CA 0.374 45.178 45.100 -0.494 0.000 0.644 96 G HN 0.662 nan 8.290 nan 0.000 0.537 97 S N -0.406 115.202 115.700 -0.154 0.000 2.566 97 S HA 0.237 4.707 4.470 -0.001 0.000 0.280 97 S C 1.498 176.038 174.600 -0.099 0.000 1.343 97 S CA 0.578 58.717 58.200 -0.101 0.000 1.036 97 S CB 0.647 63.797 63.200 -0.084 0.000 0.866 97 S HN 0.454 nan 8.310 nan 0.000 0.526 98 K N 0.715 121.055 120.400 -0.101 0.000 2.444 98 K HA 0.036 4.356 4.320 -0.001 0.000 0.193 98 K C 0.467 176.918 176.600 -0.249 0.000 1.024 98 K CA 0.409 56.629 56.287 -0.112 0.000 1.077 98 K CB 0.160 32.605 32.500 -0.091 0.000 0.833 98 K HN 0.658 nan 8.250 nan 0.000 0.517 99 T N 0.218 114.617 114.554 -0.258 0.000 3.444 99 T HA 0.254 4.603 4.350 -0.001 0.000 0.265 99 T C -2.611 172.101 174.700 0.021 0.000 1.537 99 T CA -2.018 59.815 62.100 -0.446 0.000 1.530 99 T CB 0.639 69.343 68.868 -0.273 0.000 0.958 99 T HN -0.131 nan 8.240 nan 0.000 0.684 100 P HA 0.208 nan 4.420 nan 0.000 0.274 100 P C 1.351 178.750 177.300 0.166 0.000 1.246 100 P CA -0.149 62.988 63.100 0.061 0.000 0.795 100 P CB 0.711 32.421 31.700 0.016 0.000 1.006 101 G N 0.325 109.108 108.800 -0.028 0.000 2.450 101 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.220 101 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.220 101 G C 0.163 174.986 174.900 -0.130 0.000 1.130 101 G CA 1.037 46.071 45.100 -0.110 0.000 0.760 101 G HN 0.620 nan 8.290 nan 0.000 0.557 102 H N -0.611 118.525 119.070 0.110 0.000 2.679 102 H HA 0.473 5.028 4.556 -0.000 0.000 0.367 102 H C -2.455 172.940 175.328 0.112 0.000 1.162 102 H CA -1.852 54.239 56.048 0.072 0.000 1.181 102 H CB 2.048 31.831 29.762 0.035 0.000 1.693 102 H HN -0.078 nan 8.280 nan 0.000 0.538 103 P HA 0.107 nan 4.420 nan 0.000 0.271 103 P C -0.913 176.507 177.300 0.200 0.000 1.216 103 P CA -0.135 63.090 63.100 0.209 0.000 0.776 103 P CB 0.738 32.510 31.700 0.121 0.000 0.881 104 E N 1.520 121.849 120.200 0.215 0.000 2.279 104 E HA 0.145 4.495 4.350 -0.001 0.000 0.252 104 E C -0.952 175.809 176.600 0.269 0.000 0.894 104 E CA -0.828 55.676 56.400 0.173 0.000 0.785 104 E CB 0.870 30.549 29.700 -0.036 0.000 1.237 104 E HN 0.401 nan 8.360 nan 0.000 0.418 105 Y N 2.171 122.570 120.300 0.164 0.000 2.712 105 Y HA 0.158 4.708 4.550 -0.001 0.000 0.333 105 Y C 1.353 177.382 175.900 0.216 0.000 1.225 105 Y CA 1.914 60.113 58.100 0.164 0.000 1.499 105 Y CB 0.496 39.029 38.460 0.121 0.000 1.288 105 Y HN 0.772 nan 8.280 nan 0.000 0.575 106 G N 3.954 112.440 108.800 -0.523 0.000 2.217 106 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.246 106 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.246 106 G C 0.919 175.658 174.900 -0.268 0.000 0.990 106 G CA 0.521 45.305 45.100 -0.527 0.000 0.627 106 G HN 0.796 nan 8.290 nan 0.000 0.522 107 H N -0.104 118.904 119.070 -0.103 0.000 2.855 107 H HA 0.187 4.742 4.556 -0.001 0.000 0.259 107 H C 0.255 175.561 175.328 -0.037 0.000 0.972 107 H CA 1.246 57.258 56.048 -0.060 0.000 1.213 107 H CB 1.093 30.833 29.762 -0.037 0.000 1.451 107 H HN 0.366 nan 8.280 nan 0.000 0.484 108 T N 1.120 115.745 114.554 0.119 0.000 2.848 108 T HA 0.495 4.844 4.350 -0.001 0.000 0.285 108 T C -0.178 174.587 174.700 0.109 0.000 0.995 108 T CA -0.657 61.497 62.100 0.090 0.000 0.970 108 T CB 2.407 71.344 68.868 0.115 0.000 0.976 108 T HN 0.255 nan 8.240 nan 0.000 0.441 109 A N 1.619 124.506 122.820 0.113 0.000 2.520 109 A HA 0.527 4.847 4.320 -0.001 0.000 0.245 109 A C 1.576 179.293 177.584 0.221 0.000 1.072 109 A CA 0.599 52.742 52.037 0.175 0.000 0.761 109 A CB -0.903 18.225 19.000 0.212 0.000 1.004 109 A HN 1.805 nan 8.150 nan 0.000 0.499 110 G N 1.105 110.058 108.800 0.255 0.000 2.176 110 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.253 110 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.253 110 G C 0.209 175.206 174.900 0.161 0.000 0.979 110 G CA 0.129 45.343 45.100 0.190 0.000 0.641 110 G HN 1.462 nan 8.290 nan 0.000 0.530 111 V N 1.871 121.911 119.914 0.210 0.000 2.427 111 V HA 0.290 4.410 4.120 -0.001 0.000 0.268 111 V C 1.057 177.336 176.094 0.310 0.000 1.046 111 V CA 0.238 62.695 62.300 0.260 0.000 0.970 111 V CB 1.414 33.402 31.823 0.275 0.000 1.001 111 V HN 0.222 nan 8.190 nan 0.000 0.476 112 D N 3.379 123.932 120.400 0.256 0.000 2.277 112 D HA 0.222 4.861 4.640 -0.001 0.000 0.208 112 D C 0.701 177.056 176.300 0.092 0.000 0.962 112 D CA 1.124 55.238 54.000 0.189 0.000 0.865 112 D CB 0.570 41.428 40.800 0.097 0.000 0.939 112 D HN 0.687 nan 8.370 nan 0.000 0.510 113 A N -0.730 122.163 122.820 0.122 0.000 2.594 113 A HA 0.520 4.840 4.320 -0.001 0.000 0.295 113 A C -0.694 176.969 177.584 0.131 0.000 1.071 113 A CA -0.663 51.404 52.037 0.049 0.000 0.685 113 A CB 1.227 20.210 19.000 -0.029 0.000 1.285 113 A HN -0.113 nan 8.150 nan 0.000 0.405 114 T N 2.752 117.390 114.554 0.140 0.000 2.729 114 T HA 0.538 4.888 4.350 -0.001 0.000 0.296 114 T C 0.596 175.340 174.700 0.074 0.000 0.928 114 T CA 0.571 62.751 62.100 0.133 0.000 1.045 114 T CB 0.191 69.149 68.868 0.149 0.000 0.902 114 T HN 0.979 nan 8.240 nan 0.000 0.500 115 T N 0.201 114.795 114.554 0.066 0.000 2.938 115 T HA 0.874 5.224 4.350 -0.001 0.000 0.285 115 T C 0.904 175.625 174.700 0.034 0.000 1.028 115 T CA -0.061 62.058 62.100 0.032 0.000 1.005 115 T CB 2.148 71.017 68.868 0.002 0.000 1.157 115 T HN 0.654 nan 8.240 nan 0.000 0.550 116 G N 0.080 108.875 108.800 -0.007 0.000 4.278 116 G HA2 0.101 4.061 3.960 -0.001 0.000 0.160 116 G HA3 0.101 4.061 3.960 -0.001 0.000 0.160 116 G C -2.524 172.313 174.900 -0.104 0.000 2.002 116 G CA -0.604 44.424 45.100 -0.120 0.000 1.013 116 G HN 0.817 nan 8.290 nan 0.000 0.315 117 P HA 0.348 nan 4.420 nan 0.000 0.258 117 P C 0.214 177.522 177.300 0.014 0.000 1.172 117 P CA 0.331 63.426 63.100 -0.008 0.000 0.762 117 P CB 0.381 32.100 31.700 0.031 0.000 0.764 118 L N 2.334 123.569 121.223 0.021 0.000 2.436 118 L HA 0.315 4.655 4.340 -0.001 0.000 0.265 118 L C 1.776 178.628 176.870 -0.030 0.000 1.168 118 L CA 0.755 55.601 54.840 0.010 0.000 0.815 118 L CB 0.310 42.384 42.059 0.025 0.000 1.109 118 L HN 0.769 nan 8.230 nan 0.000 0.462 119 G N 0.956 109.719 108.800 -0.062 0.000 2.417 119 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.233 119 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.233 119 G C 0.924 175.730 174.900 -0.156 0.000 1.103 119 G CA 0.463 45.492 45.100 -0.118 0.000 0.647 119 G HN 0.639 nan 8.290 nan 0.000 0.512 120 Q N 0.434 120.154 119.800 -0.134 0.000 2.167 120 Q HA 0.071 4.411 4.340 -0.001 0.000 0.202 120 Q C 2.841 178.792 176.000 -0.082 0.000 0.970 120 Q CA 1.380 57.103 55.803 -0.133 0.000 0.855 120 Q CB -0.386 28.335 28.738 -0.028 0.000 0.911 120 Q HN 0.647 nan 8.270 nan 0.000 0.438 121 G N 1.242 110.003 108.800 -0.066 0.000 2.469 121 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.220 121 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.220 121 G C 1.394 176.253 174.900 -0.068 0.000 1.136 121 G CA 0.655 45.714 45.100 -0.068 0.000 0.759 121 G HN 0.249 nan 8.290 nan 0.000 0.562 122 I N 1.064 121.594 120.570 -0.067 0.000 2.315 122 I HA -0.114 4.056 4.170 -0.001 0.000 0.248 122 I C 3.190 179.300 176.117 -0.012 0.000 1.117 122 I CA 0.911 62.192 61.300 -0.031 0.000 1.404 122 I CB -0.085 37.896 38.000 -0.033 0.000 1.071 122 I HN 0.256 nan 8.210 nan 0.000 0.419 123 A N 0.033 122.820 122.820 -0.055 0.000 1.968 123 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 123 A C 2.328 179.900 177.584 -0.019 0.000 1.169 123 A CA 1.847 53.855 52.037 -0.048 0.000 0.638 123 A CB -0.818 18.102 19.000 -0.134 0.000 0.812 123 A HN 0.337 nan 8.150 nan 0.000 0.446 124 T N 0.476 115.012 114.554 -0.029 0.000 2.708 124 T HA -0.034 4.315 4.350 -0.001 0.000 0.266 124 T C 2.252 176.944 174.700 -0.013 0.000 1.037 124 T CA 1.531 63.621 62.100 -0.017 0.000 1.146 124 T CB -0.452 68.399 68.868 -0.027 0.000 0.865 124 T HN 0.574 nan 8.240 nan 0.000 0.435 125 A N 0.962 123.771 122.820 -0.019 0.000 1.940 125 A HA -0.077 4.243 4.320 -0.001 0.000 0.219 125 A C 2.580 180.166 177.584 0.003 0.000 1.176 125 A CA 1.367 53.396 52.037 -0.013 0.000 0.631 125 A CB -1.075 17.918 19.000 -0.013 0.000 0.814 125 A HN 0.358 nan 8.150 nan 0.000 0.446 126 V N 0.056 119.986 119.914 0.026 0.000 2.295 126 V HA -0.085 4.035 4.120 -0.001 0.000 0.246 126 V C 2.064 178.175 176.094 0.030 0.000 1.049 126 V CA 1.116 63.438 62.300 0.036 0.000 1.024 126 V CB -1.522 30.345 31.823 0.073 0.000 0.648 126 V HN 0.649 nan 8.190 nan 0.000 0.447 132 E N 0.889 120.746 120.200 -0.572 0.000 2.051 132 E HA -0.180 4.170 4.350 -0.001 0.000 0.192 132 E C 1.822 178.176 176.600 -0.410 0.000 0.991 132 E CA 1.095 57.137 56.400 -0.596 0.000 0.799 132 E CB -0.179 29.112 29.700 -0.682 0.000 0.748 132 E HN 0.406 nan 8.360 nan 0.000 0.449 133 R N -0.259 120.005 120.500 -0.393 0.000 2.115 133 R HA -0.113 4.227 4.340 -0.001 0.000 0.230 133 R C 2.280 178.507 176.300 -0.122 0.000 1.111 133 R CA 1.244 57.097 56.100 -0.412 0.000 0.976 133 R CB -0.991 28.709 30.300 -1.001 0.000 0.870 133 R HN 0.387 nan 8.270 nan 0.000 0.445 134 H N 0.932 119.910 119.070 -0.152 0.000 2.357 134 H HA 0.045 4.600 4.556 -0.001 0.000 0.301 134 H C 1.993 177.217 175.328 -0.174 0.000 1.082 134 H CA 1.451 57.408 56.048 -0.151 0.000 1.342 134 H CB -0.169 29.134 29.762 -0.765 0.000 1.389 134 H HN 0.018 nan 8.280 nan 0.000 0.511 135 L N -0.399 120.692 121.223 -0.219 0.000 2.056 135 L HA -0.106 4.233 4.340 -0.001 0.000 0.207 135 L C 2.824 179.716 176.870 0.038 0.000 1.078 135 L CA 0.972 55.790 54.840 -0.036 0.000 0.749 135 L CB -0.648 41.474 42.059 0.104 0.000 0.901 135 L HN 0.409 nan 8.230 nan 0.000 0.433 136 A N 0.131 122.928 122.820 -0.038 0.000 1.883 136 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 136 A C 2.537 180.104 177.584 -0.028 0.000 1.186 136 A CA 1.886 53.914 52.037 -0.015 0.000 0.624 136 A CB -0.785 18.167 19.000 -0.080 0.000 0.822 136 A HN 0.401 nan 8.150 nan 0.000 0.444 137 A N -0.397 122.388 122.820 -0.059 0.000 1.902 137 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 137 A C 2.126 179.621 177.584 -0.147 0.000 1.181 137 A CA 1.956 53.960 52.037 -0.054 0.000 0.623 137 A CB -0.449 18.564 19.000 0.021 0.000 0.818 137 A HN 0.542 nan 8.150 nan 0.000 0.443 138 K N -1.840 118.382 120.400 -0.297 0.000 2.002 138 K HA -0.142 4.178 4.320 -0.001 0.000 0.209 138 K C 1.705 178.026 176.600 -0.464 0.000 1.048 138 K CA 2.036 58.029 56.287 -0.490 0.000 0.930 138 K CB -0.282 31.731 32.500 -0.812 0.000 0.714 138 K HN 0.639 nan 8.250 nan 0.000 0.438 139 Y N 0.156 120.413 120.300 -0.071 0.000 2.524 139 Y HA 0.142 4.692 4.550 -0.001 0.000 0.270 139 Y C 0.305 176.197 175.900 -0.014 0.000 1.094 139 Y CA -0.493 57.604 58.100 -0.005 0.000 1.276 139 Y CB 0.073 38.553 38.460 0.033 0.000 1.130 139 Y HN -0.087 nan 8.280 nan 0.000 0.536 140 N N 2.018 120.767 118.700 0.083 0.000 2.483 140 N HA 0.102 4.841 4.740 -0.001 0.000 0.264 140 N C 0.095 175.632 175.510 0.045 0.000 1.197 140 N CA 0.258 53.335 53.050 0.044 0.000 0.927 140 N CB 0.532 39.041 38.487 0.037 0.000 1.065 140 N HN 0.109 nan 8.380 nan 0.000 0.461 141 R N 0.386 120.955 120.500 0.115 0.000 3.076 141 R HA 0.340 4.680 4.340 -0.001 0.000 0.239 141 R C -0.676 175.771 176.300 0.245 0.000 1.392 141 R CA -0.766 55.406 56.100 0.121 0.000 1.044 141 R CB 0.620 30.877 30.300 -0.071 0.000 1.389 141 R HN 0.493 nan 8.270 nan 0.000 0.498 142 D N 1.006 121.565 120.400 0.265 0.000 2.520 142 D HA 0.084 4.724 4.640 -0.001 0.000 0.243 142 D C 0.963 177.333 176.300 0.118 0.000 1.160 142 D CA 1.609 55.723 54.000 0.190 0.000 0.877 142 D CB 0.752 41.665 40.800 0.189 0.000 1.150 142 D HN 0.586 nan 8.370 nan 0.000 0.494 143 A N 3.659 126.465 122.820 -0.022 0.000 2.097 143 A HA -0.310 4.010 4.320 -0.001 0.000 0.229 143 A C 0.245 177.699 177.584 -0.215 0.000 0.571 143 A CA 0.710 52.620 52.037 -0.212 0.000 1.156 143 A CB -1.955 16.761 19.000 -0.474 0.000 1.413 143 A HN 0.571 nan 8.150 nan 0.000 0.705 144 Y N 2.536 122.892 120.300 0.093 0.000 2.636 144 Y HA 0.402 4.952 4.550 -0.001 0.000 0.341 144 Y C 0.882 176.761 175.900 -0.035 0.000 1.169 144 Y CA -0.209 57.907 58.100 0.028 0.000 1.498 144 Y CB -0.017 38.498 38.460 0.092 0.000 1.362 144 Y HN 0.573 nan 8.280 nan 0.000 0.494 145 N N 2.832 121.587 118.700 0.091 0.000 3.178 145 N HA 0.003 4.742 4.740 -0.001 0.000 0.300 145 N C 0.603 176.188 175.510 0.125 0.000 1.242 145 N CA 0.129 53.232 53.050 0.088 0.000 1.192 145 N CB 0.082 38.622 38.487 0.087 0.000 1.463 145 N HN 0.476 nan 8.380 nan 0.000 0.539 146 I N -0.212 120.383 120.570 0.042 0.000 2.252 146 I HA -0.068 4.101 4.170 -0.001 0.000 0.245 146 I C 0.568 176.917 176.117 0.386 0.000 1.102 146 I CA 0.679 62.025 61.300 0.077 0.000 1.385 146 I CB -0.341 37.456 38.000 -0.339 0.000 1.064 146 I HN 0.144 nan 8.210 nan 0.000 0.414 147 V N 2.592 122.643 119.914 0.228 0.000 2.333 147 V HA 0.299 4.418 4.120 -0.001 0.000 0.274 147 V C -0.857 175.285 176.094 0.079 0.000 1.028 147 V CA -0.307 62.120 62.300 0.212 0.000 0.851 147 V CB 1.291 33.227 31.823 0.188 0.000 1.000 147 V HN 0.268 nan 8.190 nan 0.000 0.456 148 D N 3.805 124.244 120.400 0.065 0.000 2.362 148 D HA 0.405 5.044 4.640 -0.001 0.000 0.228 148 D C -0.805 175.497 176.300 0.003 0.000 1.326 148 D CA -0.290 53.701 54.000 -0.015 0.000 0.927 148 D CB 0.597 41.448 40.800 0.084 0.000 1.501 148 D HN 0.877 nan 8.370 nan 0.000 0.519 149 H N -0.251 118.726 119.070 -0.155 0.000 2.948 149 H HA 0.614 5.170 4.556 -0.001 0.000 0.315 149 H C -1.651 173.527 175.328 -0.250 0.000 1.360 149 H CA -0.826 55.152 56.048 -0.116 0.000 1.125 149 H CB 0.293 29.914 29.762 -0.235 0.000 1.844 149 H HN 0.039 nan 8.280 nan 0.000 0.529 150 Y N -0.365 119.897 120.300 -0.063 0.000 2.519 150 Y HA 0.613 5.163 4.550 -0.000 0.000 0.324 150 Y C 0.169 175.919 175.900 -0.251 0.000 1.214 150 Y CA -0.504 57.419 58.100 -0.295 0.000 1.260 150 Y CB 2.356 40.534 38.460 -0.469 0.000 1.311 150 Y HN 0.772 nan 8.280 nan 0.000 0.505 151 T N 1.727 116.078 114.554 -0.339 0.000 2.840 151 T HA 0.478 4.827 4.350 -0.001 0.000 0.287 151 T C -1.632 172.901 174.700 -0.279 0.000 0.991 151 T CA -0.648 61.330 62.100 -0.202 0.000 0.964 151 T CB 0.149 68.942 68.868 -0.126 0.000 0.954 151 T HN 0.252 nan 8.240 nan 0.000 0.438 152 Y N 1.091 121.466 120.300 0.126 0.000 2.524 152 Y HA 0.793 5.343 4.550 -0.000 0.000 0.344 152 Y C 0.193 176.102 175.900 0.016 0.000 1.012 152 Y CA -1.043 57.148 58.100 0.151 0.000 1.068 152 Y CB 1.987 40.624 38.460 0.295 0.000 1.249 152 Y HN 0.823 nan 8.280 nan 0.000 0.468 153 A N 2.164 125.097 122.820 0.189 0.000 2.594 153 A HA 0.827 5.147 4.320 -0.001 0.000 0.295 153 A C -1.744 175.862 177.584 0.037 0.000 1.071 153 A CA -0.628 51.355 52.037 -0.089 0.000 0.685 153 A CB 1.224 20.177 19.000 -0.079 0.000 1.285 153 A HN 0.670 nan 8.150 nan 0.000 0.405 154 I N 1.199 121.744 120.570 -0.042 0.000 2.433 154 I HA 0.527 4.697 4.170 -0.001 0.000 0.292 154 I C -0.020 176.100 176.117 0.006 0.000 1.001 154 I CA -0.526 60.819 61.300 0.075 0.000 1.119 154 I CB 1.738 39.844 38.000 0.177 0.000 1.289 154 I HN 0.961 nan 8.210 nan 0.000 0.438 155 C N 2.881 122.206 119.300 0.042 0.000 3.044 155 C HA 1.010 5.470 4.460 -0.001 0.000 0.315 155 C C 0.320 175.380 174.990 0.117 0.000 1.320 155 C CA -0.445 58.586 59.018 0.021 0.000 1.582 155 C CB 0.916 28.627 27.740 -0.048 0.000 2.039 155 C HN 0.858 nan 8.230 nan 0.000 0.466 156 G N -0.187 108.676 108.800 0.104 0.000 3.075 156 G HA2 0.481 4.441 3.960 -0.001 0.000 0.253 156 G HA3 0.481 4.441 3.960 -0.001 0.000 0.253 156 G C -0.040 174.944 174.900 0.140 0.000 1.353 156 G CA -0.153 45.062 45.100 0.191 0.000 1.051 156 G HN 0.780 nan 8.290 nan 0.000 0.553 157 D N -0.035 120.446 120.400 0.135 0.000 2.084 157 D HA -0.113 4.527 4.640 -0.001 0.000 0.194 157 D C 2.558 178.736 176.300 -0.203 0.000 0.990 157 D CA 1.677 55.642 54.000 -0.057 0.000 0.826 157 D CB -0.685 40.048 40.800 -0.111 0.000 0.971 157 D HN 0.445 nan 8.370 nan 0.000 0.453 158 G N 1.846 110.579 108.800 -0.111 0.000 2.574 158 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.220 158 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.220 158 G C 1.314 176.156 174.900 -0.095 0.000 1.173 158 G CA 1.363 46.407 45.100 -0.094 0.000 0.772 158 G HN 0.198 nan 8.290 nan 0.000 0.585 159 D N 0.269 120.625 120.400 -0.073 0.000 2.133 159 D HA -0.062 4.578 4.640 -0.001 0.000 0.195 159 D C 1.683 177.908 176.300 -0.125 0.000 0.997 159 D CA 0.614 54.560 54.000 -0.089 0.000 0.840 159 D CB -0.044 40.703 40.800 -0.088 0.000 0.947 159 D HN 0.253 nan 8.370 nan 0.000 0.452 163 G N 1.294 110.092 108.800 -0.004 0.000 2.469 163 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.220 163 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.220 163 G C 1.313 176.163 174.900 -0.083 0.000 1.136 163 G CA 1.109 46.206 45.100 -0.004 0.000 0.759 163 G HN 0.322 nan 8.290 nan 0.000 0.562 164 V N 1.573 121.355 119.914 -0.222 0.000 2.392 164 V HA -0.196 3.924 4.120 -0.001 0.000 0.249 164 V C 3.163 179.083 176.094 -0.289 0.000 1.059 164 V CA 3.033 65.061 62.300 -0.452 0.000 1.051 164 V CB -0.363 30.713 31.823 -1.245 0.000 0.658 164 V HN 0.581 nan 8.190 nan 0.000 0.455 165 S N 0.289 115.862 115.700 -0.210 0.000 2.387 165 S HA -0.044 4.425 4.470 -0.001 0.000 0.226 165 S C 2.145 176.663 174.600 -0.137 0.000 1.026 165 S CA 1.321 59.437 58.200 -0.140 0.000 0.972 165 S CB -0.577 62.561 63.200 -0.103 0.000 0.814 165 S HN 0.842 nan 8.310 nan 0.000 0.477 166 A N 2.122 124.876 122.820 -0.111 0.000 1.865 166 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 166 A C 2.166 179.609 177.584 -0.235 0.000 1.191 166 A CA 1.735 53.697 52.037 -0.124 0.000 0.623 166 A CB -0.934 18.081 19.000 0.025 0.000 0.826 166 A HN 0.719 nan 8.150 nan 0.000 0.444 167 E N -0.341 119.779 120.200 -0.134 0.000 2.058 167 E HA -0.137 4.212 4.350 -0.001 0.000 0.194 167 E C 2.315 178.845 176.600 -0.118 0.000 0.997 167 E CA 1.054 57.392 56.400 -0.104 0.000 0.801 167 E CB -0.327 29.343 29.700 -0.049 0.000 0.746 167 E HN 0.620 nan 8.360 nan 0.000 0.450 168 A N 1.040 123.795 122.820 -0.107 0.000 1.969 168 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 168 A C 2.324 179.911 177.584 0.006 0.000 1.169 168 A CA 1.506 53.524 52.037 -0.031 0.000 0.635 168 A CB -0.303 18.683 19.000 -0.023 0.000 0.810 168 A HN 0.113 nan 8.150 nan 0.000 0.445 169 S N -0.438 115.188 115.700 -0.123 0.000 2.368 169 S HA -0.131 4.338 4.470 -0.001 0.000 0.224 169 S C 2.286 176.762 174.600 -0.206 0.000 1.029 169 S CA 1.294 59.457 58.200 -0.062 0.000 0.988 169 S CB -0.409 62.391 63.200 -0.667 0.000 0.838 169 S HN 0.689 nan 8.310 nan 0.000 0.462 170 S N 1.522 116.813 115.700 -0.683 0.000 2.359 170 S HA -0.135 4.335 4.470 -0.001 0.000 0.223 170 S C 1.889 176.483 174.600 -0.011 0.000 1.039 170 S CA 1.318 59.322 58.200 -0.327 0.000 1.042 170 S CB -0.542 62.551 63.200 -0.178 0.000 0.915 170 S HN 0.339 nan 8.310 nan 0.000 0.439 171 L N 1.788 123.012 121.223 0.002 0.000 2.012 171 L HA 0.061 4.400 4.340 -0.001 0.000 0.210 171 L C 2.540 179.472 176.870 0.104 0.000 1.073 171 L CA 2.232 57.122 54.840 0.084 0.000 0.748 171 L CB -1.299 40.821 42.059 0.101 0.000 0.891 171 L HN 0.359 nan 8.230 nan 0.000 0.431 172 A N -0.663 122.203 122.820 0.077 0.000 1.902 172 A HA -0.091 4.228 4.320 -0.001 0.000 0.217 172 A C 2.454 179.952 177.584 -0.144 0.000 1.181 172 A CA 1.784 53.806 52.037 -0.025 0.000 0.623 172 A CB -1.162 17.814 19.000 -0.040 0.000 0.818 172 A HN 0.574 nan 8.150 nan 0.000 0.443 173 A N -0.849 121.920 122.820 -0.085 0.000 1.883 173 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 173 A C 2.033 179.614 177.584 -0.005 0.000 1.186 173 A CA 2.183 54.172 52.037 -0.081 0.000 0.624 173 A CB -0.943 18.162 19.000 0.175 0.000 0.822 173 A HN 0.767 nan 8.150 nan 0.000 0.444 174 H N -0.359 118.700 119.070 -0.019 0.000 2.421 174 H HA 0.055 4.610 4.556 -0.001 0.000 0.298 174 H C 1.437 176.728 175.328 -0.062 0.000 1.087 174 H CA 1.741 57.772 56.048 -0.029 0.000 1.330 174 H CB -0.171 29.585 29.762 -0.010 0.000 1.388 174 H HN 0.381 nan 8.280 nan 0.000 0.526 175 L N 0.086 121.278 121.223 -0.051 0.000 2.591 175 L HA 0.048 4.388 4.340 -0.001 0.000 0.228 175 L C 0.301 177.129 176.870 -0.069 0.000 1.133 175 L CA 0.257 55.047 54.840 -0.084 0.000 0.880 175 L CB -0.075 42.025 42.059 0.069 0.000 1.033 175 L HN 0.297 nan 8.230 nan 0.000 0.450 176 Q N 1.049 120.775 119.800 -0.122 0.000 2.443 176 Q HA -0.189 4.151 4.340 -0.001 0.000 0.337 176 Q C -0.337 175.599 176.000 -0.107 0.000 1.401 176 Q CA 0.301 56.025 55.803 -0.131 0.000 0.943 176 Q CB -1.561 27.106 28.738 -0.119 0.000 1.177 176 Q HN 0.501 nan 8.270 nan 0.000 0.394 177 L N 0.130 121.233 121.223 -0.200 0.000 2.384 177 L HA 0.123 4.463 4.340 -0.001 0.000 0.258 177 L C 1.737 178.430 176.870 -0.295 0.000 1.266 177 L CA 0.273 54.966 54.840 -0.245 0.000 1.162 177 L CB -0.135 41.781 42.059 -0.238 0.000 1.375 177 L HN 0.499 nan 8.230 nan 0.000 0.420 178 G N 1.277 109.937 108.800 -0.232 0.000 2.586 178 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.215 178 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.215 178 G C 1.522 176.299 174.900 -0.205 0.000 1.128 178 G CA 0.182 45.165 45.100 -0.194 0.000 0.774 178 G HN 0.550 nan 8.290 nan 0.000 0.543 179 R N -1.136 119.154 120.500 -0.351 0.000 2.362 179 R HA 0.243 4.582 4.340 -0.001 0.000 0.227 179 R C -0.032 176.073 176.300 -0.326 0.000 0.905 179 R CA -0.574 55.213 56.100 -0.522 0.000 1.067 179 R CB 0.235 29.964 30.300 -0.951 0.000 1.078 179 R HN 0.273 nan 8.270 nan 0.000 0.516 180 L N 1.738 122.804 121.223 -0.263 0.000 2.360 180 L HA 0.198 4.538 4.340 -0.001 0.000 0.276 180 L C -0.661 176.171 176.870 -0.064 0.000 1.121 180 L CA -0.032 54.702 54.840 -0.177 0.000 0.845 180 L CB 1.337 43.278 42.059 -0.197 0.000 1.143 180 L HN -0.255 nan 8.230 nan 0.000 0.452 181 V N 6.146 126.076 119.914 0.027 0.000 2.482 181 V HA 0.440 4.560 4.120 -0.001 0.000 0.295 181 V C -0.560 175.703 176.094 0.282 0.000 1.026 181 V CA -0.689 61.724 62.300 0.189 0.000 0.856 181 V CB 1.836 33.812 31.823 0.254 0.000 1.001 181 V HN 0.492 nan 8.190 nan 0.000 0.424 182 V N 6.264 126.357 119.914 0.298 0.000 2.384 182 V HA 0.466 4.585 4.120 -0.001 0.000 0.287 182 V C -0.420 175.772 176.094 0.164 0.000 1.020 182 V CA -0.603 61.830 62.300 0.221 0.000 0.850 182 V CB 1.642 33.564 31.823 0.165 0.000 0.987 182 V HN 0.601 nan 8.190 nan 0.000 0.436 183 L N 5.773 127.093 121.223 0.163 0.000 2.265 183 L HA 0.379 4.718 4.340 -0.001 0.000 0.288 183 L C -0.501 176.460 176.870 0.152 0.000 1.058 183 L CA -0.123 54.799 54.840 0.137 0.000 0.809 183 L CB 0.520 42.657 42.059 0.131 0.000 1.179 183 L HN 0.636 nan 8.230 nan 0.000 0.429 184 Y N 3.457 123.739 120.300 -0.029 0.000 2.385 184 Y HA 0.298 4.848 4.550 -0.000 0.000 0.341 184 Y C -0.089 175.793 175.900 -0.031 0.000 0.965 184 Y CA -1.966 56.099 58.100 -0.057 0.000 1.180 184 Y CB 0.678 39.067 38.460 -0.118 0.000 1.139 184 Y HN 0.634 nan 8.280 nan 0.000 0.502 185 D N 4.255 124.713 120.400 0.096 0.000 2.367 185 D HA 0.017 4.657 4.640 -0.001 0.000 0.255 185 D C -0.627 175.518 176.300 -0.258 0.000 1.300 185 D CA 0.491 54.453 54.000 -0.064 0.000 0.959 185 D CB 0.287 41.108 40.800 0.035 0.000 1.064 185 D HN 0.409 nan 8.370 nan 0.000 0.509 186 S N 3.414 118.768 115.700 -0.578 0.000 2.464 186 S HA 0.211 4.681 4.470 -0.001 0.000 0.313 186 S C 0.368 174.809 174.600 -0.264 0.000 1.078 186 S CA -0.824 56.954 58.200 -0.703 0.000 1.096 186 S CB -0.321 62.236 63.200 -1.073 0.000 1.032 186 S HN 0.518 nan 8.310 nan 0.000 0.498 187 N N 2.567 121.194 118.700 -0.123 0.000 2.241 187 N HA 0.179 4.919 4.740 -0.001 0.000 0.238 187 N C -0.434 175.073 175.510 -0.006 0.000 1.244 187 N CA -0.299 52.725 53.050 -0.043 0.000 0.880 187 N CB 0.080 38.566 38.487 -0.002 0.000 1.179 187 N HN 0.392 nan 8.380 nan 0.000 0.513 188 D N -0.275 120.125 120.400 0.000 0.000 3.077 188 D HA -0.152 4.487 4.640 -0.001 0.000 0.217 188 D C -0.648 175.665 176.300 0.022 0.000 1.162 188 D CA 0.864 54.881 54.000 0.029 0.000 0.943 188 D CB -0.745 40.073 40.800 0.031 0.000 1.122 188 D HN 0.449 nan 8.370 nan 0.000 0.413 189 I N 0.261 120.835 120.570 0.008 0.000 2.569 189 I HA 0.316 4.486 4.170 -0.001 0.000 0.296 189 I C 0.939 177.025 176.117 -0.052 0.000 1.028 189 I CA -0.479 60.816 61.300 -0.009 0.000 1.082 189 I CB 2.069 40.076 38.000 0.011 0.000 1.264 189 I HN -0.005 nan 8.210 nan 0.000 0.429 190 S N 5.456 121.099 115.700 -0.095 0.000 2.795 190 S HA 0.552 5.021 4.470 -0.001 0.000 0.308 190 S C 1.051 175.460 174.600 -0.318 0.000 1.098 190 S CA -0.800 57.299 58.200 -0.168 0.000 0.934 190 S CB 1.033 64.156 63.200 -0.128 0.000 1.300 190 S HN 0.503 nan 8.310 nan 0.000 0.566 191 L N 0.043 121.042 121.223 -0.372 0.000 2.261 191 L HA -0.020 4.320 4.340 -0.001 0.000 0.216 191 L C 1.458 178.149 176.870 -0.297 0.000 1.114 191 L CA 1.632 56.155 54.840 -0.528 0.000 0.777 191 L CB -0.556 41.339 42.059 -0.274 0.000 0.910 191 L HN 0.692 nan 8.230 nan 0.000 0.440 192 D N -1.447 118.852 120.400 -0.169 0.000 2.510 192 D HA 0.284 4.923 4.640 -0.001 0.000 0.234 192 D C 0.438 176.709 176.300 -0.049 0.000 1.178 192 D CA 0.766 54.718 54.000 -0.080 0.000 0.816 192 D CB 1.164 41.931 40.800 -0.055 0.000 1.143 192 D HN 0.225 nan 8.370 nan 0.000 0.526 193 G N -0.477 108.291 108.800 -0.054 0.000 2.345 193 G HA2 0.068 4.027 3.960 -0.001 0.000 0.285 193 G HA3 0.068 4.027 3.960 -0.001 0.000 0.285 193 G C -1.573 173.316 174.900 -0.017 0.000 1.297 193 G CA -0.872 44.214 45.100 -0.024 0.000 0.875 193 G HN -0.100 nan 8.290 nan 0.000 0.506 194 D N 0.559 120.960 120.400 0.002 0.000 2.458 194 D HA 0.170 4.810 4.640 -0.001 0.000 0.243 194 D C 1.702 178.018 176.300 0.026 0.000 1.146 194 D CA -0.428 53.581 54.000 0.015 0.000 0.877 194 D CB 1.645 42.459 40.800 0.024 0.000 1.176 194 D HN 0.273 nan 8.370 nan 0.000 0.461 195 L N 4.125 125.368 121.223 0.034 0.000 2.030 195 L HA -0.285 4.055 4.340 -0.001 0.000 0.222 195 L C 1.339 178.287 176.870 0.129 0.000 1.082 195 L CA 1.873 56.755 54.840 0.070 0.000 0.785 195 L CB -0.711 41.408 42.059 0.099 0.000 0.895 195 L HN 0.368 nan 8.230 nan 0.000 0.439 196 N N -0.335 118.430 118.700 0.109 0.000 2.551 196 N HA -0.038 4.702 4.740 -0.001 0.000 0.199 196 N C 1.260 176.812 175.510 0.070 0.000 1.277 196 N CA 0.243 53.354 53.050 0.102 0.000 0.870 196 N CB -0.170 38.359 38.487 0.071 0.000 1.028 196 N HN 0.376 nan 8.380 nan 0.000 0.452 197 R N -0.817 119.722 120.500 0.066 0.000 2.276 197 R HA 0.128 4.468 4.340 -0.001 0.000 0.196 197 R C 0.823 177.159 176.300 0.059 0.000 0.961 197 R CA 0.612 56.740 56.100 0.047 0.000 1.024 197 R CB 0.292 30.610 30.300 0.030 0.000 0.940 197 R HN 0.272 nan 8.270 nan 0.000 0.480 198 S N -1.934 113.827 115.700 0.101 0.000 2.733 198 S HA 0.214 4.684 4.470 -0.001 0.000 0.270 198 S C -0.040 174.686 174.600 0.210 0.000 1.062 198 S CA -0.588 57.686 58.200 0.123 0.000 1.256 198 S CB 0.372 63.636 63.200 0.106 0.000 1.187 198 S HN 0.130 nan 8.310 nan 0.000 0.666 199 F N 2.689 122.643 119.950 0.008 0.000 2.607 199 F HA 0.569 5.096 4.527 -0.001 0.000 0.322 199 F C -0.063 175.747 175.800 0.016 0.000 1.176 199 F CA -0.212 57.797 58.000 0.014 0.000 0.977 199 F CB 2.038 41.051 39.000 0.023 0.000 1.242 199 F HN 0.114 nan 8.300 nan 0.000 0.465 200 S N 1.452 116.917 115.700 -0.391 0.000 2.998 200 S HA 0.115 4.584 4.470 -0.001 0.000 0.256 200 S C -0.285 174.096 174.600 -0.366 0.000 0.970 200 S CA -0.566 57.481 58.200 -0.255 0.000 1.238 200 S CB -0.396 62.732 63.200 -0.120 0.000 1.170 200 S HN 0.696 nan 8.310 nan 0.000 0.663 201 E N 1.502 121.272 120.200 -0.718 0.000 2.392 201 E HA 0.454 4.804 4.350 -0.001 0.000 0.256 201 E C -0.279 176.148 176.600 -0.288 0.000 1.145 201 E CA -0.564 55.539 56.400 -0.496 0.000 0.929 201 E CB 0.590 29.952 29.700 -0.563 0.000 0.998 201 E HN 0.089 nan 8.360 nan 0.000 0.442 202 S N 1.840 117.460 115.700 -0.134 0.000 2.415 202 S HA 0.125 4.595 4.470 -0.001 0.000 0.313 202 S C 0.724 175.347 174.600 0.040 0.000 1.067 202 S CA -0.799 57.387 58.200 -0.023 0.000 1.099 202 S CB 0.546 63.734 63.200 -0.020 0.000 0.991 202 S HN 0.489 nan 8.310 nan 0.000 0.491 203 V N 5.207 125.205 119.914 0.139 0.000 2.343 203 V HA -0.143 3.977 4.120 -0.001 0.000 0.247 203 V C 2.567 178.770 176.094 0.182 0.000 1.051 203 V CA 2.311 64.730 62.300 0.200 0.000 1.036 203 V CB -0.812 31.148 31.823 0.229 0.000 0.654 203 V HN 0.963 nan 8.190 nan 0.000 0.451 204 E N 0.204 120.482 120.200 0.131 0.000 2.051 204 E HA -0.282 4.067 4.350 -0.001 0.000 0.192 204 E C 1.836 178.500 176.600 0.105 0.000 0.991 204 E CA 1.782 58.251 56.400 0.113 0.000 0.799 204 E CB -0.153 29.599 29.700 0.086 0.000 0.748 204 E HN 0.579 nan 8.360 nan 0.000 0.449 205 D N 0.044 120.478 120.400 0.057 0.000 2.144 205 D HA -0.146 4.494 4.640 -0.001 0.000 0.200 205 D C 2.036 178.308 176.300 -0.047 0.000 0.978 205 D CA 0.793 54.800 54.000 0.011 0.000 0.833 205 D CB -0.278 40.515 40.800 -0.013 0.000 0.961 205 D HN 0.178 nan 8.370 nan 0.000 0.470 206 R N -0.423 120.034 120.500 -0.071 0.000 2.083 206 R HA -0.190 4.150 4.340 -0.001 0.000 0.237 206 R C 2.176 178.224 176.300 -0.420 0.000 1.137 206 R CA 1.276 57.208 56.100 -0.280 0.000 0.951 206 R CB -0.309 29.852 30.300 -0.231 0.000 0.851 206 R HN 0.183 nan 8.270 nan 0.000 0.434 207 Y N 0.554 120.752 120.300 -0.170 0.000 2.242 207 Y HA -0.114 4.436 4.550 -0.000 0.000 0.291 207 Y C 2.183 178.142 175.900 0.098 0.000 1.137 207 Y CA 1.555 59.625 58.100 -0.049 0.000 1.181 207 Y CB 0.034 38.393 38.460 -0.169 0.000 0.989 207 Y HN 0.054 nan 8.280 nan 0.000 0.527 208 K N -0.348 120.155 120.400 0.173 0.000 2.097 208 K HA -0.151 4.168 4.320 -0.001 0.000 0.206 208 K C 2.378 179.028 176.600 0.084 0.000 1.049 208 K CA 1.062 57.438 56.287 0.150 0.000 0.933 208 K CB -0.355 32.204 32.500 0.098 0.000 0.717 208 K HN 0.260 nan 8.250 nan 0.000 0.442 209 A N 0.855 123.652 122.820 -0.038 0.000 1.883 209 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 209 A C 1.863 179.424 177.584 -0.039 0.000 1.186 209 A CA 1.437 53.415 52.037 -0.098 0.000 0.624 209 A CB -0.845 18.018 19.000 -0.228 0.000 0.822 209 A HN 0.254 nan 8.150 nan 0.000 0.444 210 Y N -0.844 119.466 120.300 0.017 0.000 2.165 210 Y HA 0.099 4.648 4.550 -0.001 0.000 0.286 210 Y C 2.102 178.106 175.900 0.173 0.000 1.155 210 Y CA 0.943 59.089 58.100 0.077 0.000 1.164 210 Y CB -0.589 37.905 38.460 0.056 0.000 0.978 210 Y HN 0.546 nan 8.280 nan 0.000 0.513 211 G N -3.420 105.602 108.800 0.370 0.000 2.157 211 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.118 211 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.118 211 G C -0.491 174.601 174.900 0.319 0.000 1.032 211 G CA -0.643 44.618 45.100 0.267 0.000 0.697 211 G HN 0.126 nan 8.290 nan 0.000 0.495 212 W N 0.503 121.902 121.300 0.165 0.000 2.332 212 W HA 0.711 5.370 4.660 -0.001 0.000 0.351 212 W C 0.671 177.273 176.519 0.138 0.000 1.195 212 W CA -0.774 56.677 57.345 0.177 0.000 1.334 212 W CB 0.702 30.346 29.460 0.306 0.000 1.206 212 W HN 0.201 nan 8.180 nan 0.000 0.637 213 Q N 1.121 121.140 119.800 0.365 0.000 2.256 213 Q HA 0.507 4.847 4.340 -0.001 0.000 0.254 213 Q C -1.277 174.891 176.000 0.279 0.000 0.916 213 Q CA -0.231 55.717 55.803 0.242 0.000 0.932 213 Q CB 1.063 29.894 28.738 0.154 0.000 1.207 213 Q HN 0.355 nan 8.270 nan 0.000 0.426 214 V N 5.793 125.827 119.914 0.200 0.000 2.555 214 V HA 0.550 4.670 4.120 -0.001 0.000 0.302 214 V C -0.369 175.787 176.094 0.104 0.000 1.038 214 V CA -0.674 61.718 62.300 0.154 0.000 0.887 214 V CB 1.790 33.693 31.823 0.135 0.000 0.991 214 V HN 0.733 nan 8.190 nan 0.000 0.434 215 I N 4.044 124.663 120.570 0.082 0.000 2.499 215 I HA 0.546 4.716 4.170 -0.001 0.000 0.288 215 I C -0.263 175.877 176.117 0.038 0.000 1.048 215 I CA -0.553 60.780 61.300 0.055 0.000 1.062 215 I CB 2.171 40.199 38.000 0.047 0.000 1.238 215 I HN 0.544 nan 8.210 nan 0.000 0.426 216 R N 4.945 125.461 120.500 0.027 0.000 2.474 216 R HA 0.753 5.093 4.340 -0.001 0.000 0.295 216 R C -1.572 174.726 176.300 -0.002 0.000 0.980 216 R CA -0.496 55.610 56.100 0.010 0.000 0.934 216 R CB 1.764 32.071 30.300 0.012 0.000 1.101 216 R HN 0.445 nan 8.270 nan 0.000 0.469 217 V N 4.635 124.537 119.914 -0.019 0.000 2.376 217 V HA 0.138 4.258 4.120 -0.001 0.000 0.287 217 V C 0.426 176.499 176.094 -0.035 0.000 1.015 217 V CA -0.546 61.739 62.300 -0.024 0.000 0.834 217 V CB 1.498 33.304 31.823 -0.027 0.000 1.001 217 V HN 0.876 nan 8.190 nan 0.000 0.428 218 E N 2.246 122.431 120.200 -0.025 0.000 2.150 218 E HA -0.079 4.271 4.350 -0.001 0.000 0.193 218 E C 0.529 177.106 176.600 -0.037 0.000 0.985 218 E CA 0.970 57.354 56.400 -0.027 0.000 0.814 218 E CB 0.196 29.887 29.700 -0.014 0.000 0.752 218 E HN 0.794 nan 8.360 nan 0.000 0.466 219 D N -1.101 119.273 120.400 -0.043 0.000 2.375 219 D HA 0.200 4.840 4.640 -0.001 0.000 0.259 219 D C 1.003 177.255 176.300 -0.080 0.000 1.235 219 D CA -0.211 53.753 54.000 -0.060 0.000 0.924 219 D CB 0.756 41.528 40.800 -0.047 0.000 1.143 219 D HN -0.024 nan 8.370 nan 0.000 0.529 220 G N 2.887 111.627 108.800 -0.100 0.000 2.516 220 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.221 220 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.221 220 G C 1.250 176.071 174.900 -0.131 0.000 1.107 220 G CA 0.266 45.303 45.100 -0.106 0.000 0.747 220 G HN 0.449 nan 8.290 nan 0.000 0.567 221 N N 0.512 119.102 118.700 -0.183 0.000 2.461 221 N HA 0.000 4.740 4.740 -0.001 0.000 0.188 221 N C -0.065 175.379 175.510 -0.110 0.000 1.134 221 N CA 0.206 53.131 53.050 -0.207 0.000 0.878 221 N CB 0.222 38.504 38.487 -0.340 0.000 0.972 221 N HN 0.220 nan 8.380 nan 0.000 0.456 222 D N 0.680 121.038 120.400 -0.071 0.000 2.441 222 D HA 0.116 4.755 4.640 -0.001 0.000 0.221 222 D C 1.098 177.396 176.300 -0.003 0.000 1.156 222 D CA -0.427 53.555 54.000 -0.030 0.000 0.896 222 D CB 0.421 41.208 40.800 -0.022 0.000 1.028 222 D HN -0.139 nan 8.370 nan 0.000 0.509 223 I N 3.266 123.846 120.570 0.016 0.000 2.361 223 I HA -0.198 3.972 4.170 -0.001 0.000 0.251 223 I C 2.036 178.197 176.117 0.073 0.000 1.133 223 I CA 1.185 62.521 61.300 0.061 0.000 1.413 223 I CB -0.053 37.999 38.000 0.087 0.000 1.073 223 I HN 0.488 nan 8.210 nan 0.000 0.424 224 E N 0.159 120.391 120.200 0.052 0.000 2.106 224 E HA -0.149 4.201 4.350 -0.001 0.000 0.192 224 E C 2.331 178.964 176.600 0.055 0.000 0.984 224 E CA 1.154 57.588 56.400 0.057 0.000 0.806 224 E CB -0.301 29.422 29.700 0.038 0.000 0.750 224 E HN 0.513 nan 8.360 nan 0.000 0.458 225 A N 1.228 124.069 122.820 0.035 0.000 1.873 225 A HA -0.143 4.177 4.320 -0.001 0.000 0.215 225 A C 2.199 179.797 177.584 0.023 0.000 1.186 225 A CA 1.029 53.080 52.037 0.024 0.000 0.616 225 A CB -0.551 18.454 19.000 0.008 0.000 0.823 225 A HN 0.109 nan 8.150 nan 0.000 0.442 226 I N 0.136 120.721 120.570 0.026 0.000 2.226 226 I HA -0.275 3.895 4.170 -0.001 0.000 0.245 226 I C 2.921 179.045 176.117 0.011 0.000 1.100 226 I CA 1.165 62.473 61.300 0.013 0.000 1.374 226 I CB -0.338 37.678 38.000 0.025 0.000 1.057 226 I HN 0.319 nan 8.210 nan 0.000 0.413 227 A N 0.777 123.662 122.820 0.107 0.000 1.940 227 A HA -0.246 4.073 4.320 -0.001 0.000 0.219 227 A C 2.325 179.989 177.584 0.133 0.000 1.176 227 A CA 1.797 53.989 52.037 0.258 0.000 0.631 227 A CB -0.493 18.709 19.000 0.336 0.000 0.814 227 A HN 0.377 nan 8.150 nan 0.000 0.446 228 K N -0.370 120.076 120.400 0.076 0.000 2.025 228 K HA -0.030 4.290 4.320 -0.001 0.000 0.207 228 K C 2.353 178.944 176.600 -0.015 0.000 1.049 228 K CA 1.095 57.408 56.287 0.045 0.000 0.933 228 K CB -0.370 32.153 32.500 0.038 0.000 0.714 228 K HN 0.423 nan 8.250 nan 0.000 0.438 229 A N 1.574 124.373 122.820 -0.036 0.000 1.940 229 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 229 A C 2.139 179.653 177.584 -0.116 0.000 1.176 229 A CA 1.427 53.434 52.037 -0.049 0.000 0.631 229 A CB -0.633 18.349 19.000 -0.031 0.000 0.814 229 A HN 0.194 nan 8.150 nan 0.000 0.446 230 I N -0.757 119.648 120.570 -0.276 0.000 2.286 230 I HA -0.212 3.958 4.170 -0.001 0.000 0.245 230 I C 2.435 178.299 176.117 -0.422 0.000 1.104 230 I CA 1.274 62.284 61.300 -0.483 0.000 1.397 230 I CB -0.483 36.859 38.000 -1.097 0.000 1.072 230 I HN 0.401 nan 8.210 nan 0.000 0.417 231 E N 0.963 120.972 120.200 -0.319 0.000 2.086 231 E HA -0.287 4.062 4.350 -0.001 0.000 0.200 231 E C 2.083 178.669 176.600 -0.024 0.000 1.012 231 E CA 1.691 58.070 56.400 -0.036 0.000 0.812 231 E CB -0.147 29.611 29.700 0.096 0.000 0.743 231 E HN 0.527 nan 8.360 nan 0.000 0.453 232 E N 0.305 120.490 120.200 -0.024 0.000 2.077 232 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 232 E C 2.125 178.731 176.600 0.010 0.000 0.989 232 E CA 0.833 57.235 56.400 0.004 0.000 0.800 232 E CB -0.146 29.560 29.700 0.010 0.000 0.746 232 E HN 0.248 nan 8.360 nan 0.000 0.452 233 A N 1.843 124.657 122.820 -0.009 0.000 1.908 233 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 233 A C 1.999 179.613 177.584 0.050 0.000 1.181 233 A CA 1.364 53.419 52.037 0.030 0.000 0.627 233 A CB -0.243 18.775 19.000 0.031 0.000 0.818 233 A HN 0.007 nan 8.150 nan 0.000 0.445 234 K N -0.531 119.873 120.400 0.007 0.000 2.288 234 K HA 0.074 4.394 4.320 -0.001 0.000 0.201 234 K C 2.037 178.685 176.600 0.079 0.000 1.048 234 K CA 0.948 57.248 56.287 0.021 0.000 0.956 234 K CB -0.228 32.183 32.500 -0.148 0.000 0.746 234 K HN 0.460 nan 8.250 nan 0.000 0.461 235 A N 1.311 124.162 122.820 0.051 0.000 2.072 235 A HA -0.087 4.233 4.320 -0.001 0.000 0.216 235 A C 0.795 178.411 177.584 0.053 0.000 1.156 235 A CA 0.590 52.660 52.037 0.055 0.000 0.701 235 A CB -0.004 19.021 19.000 0.042 0.000 0.816 235 A HN 0.103 nan 8.150 nan 0.000 0.458 236 D N 0.566 120.997 120.400 0.052 0.000 2.522 236 D HA 0.265 4.904 4.640 -0.001 0.000 0.218 236 D C 0.375 176.693 176.300 0.030 0.000 1.149 236 D CA -0.182 53.841 54.000 0.038 0.000 0.981 236 D CB 0.182 41.004 40.800 0.037 0.000 1.041 236 D HN 0.428 nan 8.370 nan 0.000 0.518 237 E N 1.307 121.523 120.200 0.026 0.000 2.516 237 E HA -0.081 4.268 4.350 -0.001 0.000 0.199 237 E C 1.300 177.878 176.600 -0.035 0.000 1.069 237 E CA 0.574 56.974 56.400 -0.001 0.000 0.876 237 E CB 0.440 30.142 29.700 0.003 0.000 0.843 237 E HN 0.355 nan 8.360 nan 0.000 0.530 238 K N 0.451 120.833 120.400 -0.030 0.000 2.067 238 K HA 0.062 4.382 4.320 -0.001 0.000 0.203 238 K C 0.613 177.166 176.600 -0.078 0.000 1.048 238 K CA 0.686 56.946 56.287 -0.045 0.000 0.954 238 K CB 0.380 32.862 32.500 -0.030 0.000 0.737 238 K HN -0.024 nan 8.250 nan 0.000 0.444 239 R N 1.116 121.570 120.500 -0.077 0.000 2.732 239 R HA 0.368 4.708 4.340 -0.001 0.000 0.278 239 R C -2.815 173.353 176.300 -0.219 0.000 0.976 239 R CA -2.534 53.488 56.100 -0.130 0.000 0.963 239 R CB 0.570 30.852 30.300 -0.031 0.000 1.150 239 R HN -0.118 nan 8.270 nan 0.000 0.478 240 P HA 0.105 nan 4.420 nan 0.000 0.271 240 P C -0.638 176.505 177.300 -0.262 0.000 1.218 240 P CA 0.004 62.689 63.100 -0.692 0.000 0.780 240 P CB 0.593 31.213 31.700 -1.800 0.000 0.901 241 T N 2.786 117.377 114.554 0.061 0.000 2.807 241 T HA 0.494 4.844 4.350 -0.001 0.000 0.279 241 T C -0.498 174.521 174.700 0.532 0.000 0.993 241 T CA -0.384 61.916 62.100 0.334 0.000 0.970 241 T CB 0.671 69.642 68.868 0.173 0.000 0.950 241 T HN 0.159 nan 8.240 nan 0.000 0.441 242 L N 4.147 125.651 121.223 0.470 0.000 2.317 242 L HA 0.658 4.997 4.340 -0.001 0.000 0.281 242 L C -1.131 175.803 176.870 0.106 0.000 1.024 242 L CA -0.579 54.356 54.840 0.158 0.000 0.810 242 L CB 0.794 42.723 42.059 -0.217 0.000 1.240 242 L HN 0.635 nan 8.230 nan 0.000 0.427 243 I N 4.382 125.005 120.570 0.089 0.000 2.390 243 I HA 0.306 4.475 4.170 -0.001 0.000 0.283 243 I C -0.313 175.845 176.117 0.069 0.000 1.016 243 I CA -0.545 60.797 61.300 0.069 0.000 1.151 243 I CB 1.567 39.599 38.000 0.054 0.000 1.293 243 I HN 0.638 nan 8.210 nan 0.000 0.458 244 E N 6.202 126.434 120.200 0.052 0.000 2.180 244 E HA 0.308 4.658 4.350 -0.001 0.000 0.283 244 E C -1.228 175.311 176.600 -0.101 0.000 1.061 244 E CA -0.400 55.993 56.400 -0.012 0.000 0.861 244 E CB 1.076 30.784 29.700 0.012 0.000 1.056 244 E HN 0.362 nan 8.360 nan 0.000 0.407 245 V N 6.640 126.453 119.914 -0.169 0.000 2.328 245 V HA 0.279 4.398 4.120 -0.001 0.000 0.278 245 V C 0.020 176.008 176.094 -0.177 0.000 1.021 245 V CA -0.843 61.381 62.300 -0.127 0.000 0.838 245 V CB 1.196 32.975 31.823 -0.073 0.000 0.999 245 V HN 0.631 nan 8.190 nan 0.000 0.447 246 R N 3.687 124.106 120.500 -0.135 0.000 2.248 246 R HA 0.385 4.725 4.340 -0.001 0.000 0.337 246 R C 0.420 176.658 176.300 -0.102 0.000 1.085 246 R CA -0.018 56.005 56.100 -0.128 0.000 0.934 246 R CB 0.831 31.080 30.300 -0.086 0.000 1.034 246 R HN 0.896 nan 8.270 nan 0.000 0.465 247 T N -1.829 112.665 114.554 -0.099 0.000 2.910 247 T HA 0.424 4.774 4.350 -0.001 0.000 0.287 247 T C -0.156 174.530 174.700 -0.024 0.000 1.050 247 T CA -0.735 61.321 62.100 -0.074 0.000 1.011 247 T CB 2.285 71.112 68.868 -0.069 0.000 1.195 247 T HN 0.309 nan 8.240 nan 0.000 0.540 248 T N 1.530 116.096 114.554 0.020 0.000 2.833 248 T HA 0.520 4.870 4.350 -0.001 0.000 0.297 248 T C -0.195 174.586 174.700 0.135 0.000 1.015 248 T CA -0.877 61.279 62.100 0.093 0.000 0.963 248 T CB -0.763 68.199 68.868 0.157 0.000 0.955 248 T HN 0.603 nan 8.240 nan 0.000 0.449 249 I N 3.763 124.394 120.570 0.101 0.000 2.948 249 I HA 0.287 4.457 4.170 -0.001 0.000 0.303 249 I C 1.763 177.956 176.117 0.126 0.000 1.224 249 I CA 0.683 62.049 61.300 0.110 0.000 1.442 249 I CB -0.580 37.479 38.000 0.097 0.000 1.328 249 I HN 0.969 nan 8.210 nan 0.000 0.578 250 G N 4.261 113.135 108.800 0.124 0.000 2.379 250 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.297 250 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.297 250 G C 0.269 175.251 174.900 0.137 0.000 1.004 250 G CA 0.073 45.239 45.100 0.109 0.000 0.921 250 G HN 0.786 nan 8.290 nan 0.000 0.511 251 F N 0.456 120.440 119.950 0.057 0.000 2.579 251 F HA 0.313 4.840 4.527 -0.001 0.000 0.397 251 F C 1.541 177.420 175.800 0.132 0.000 1.027 251 F CA 1.698 59.744 58.000 0.076 0.000 1.217 251 F CB 0.261 39.307 39.000 0.077 0.000 0.986 251 F HN 1.024 nan 8.300 nan 0.000 0.551 252 G N 3.044 111.455 108.800 -0.650 0.000 2.259 252 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.217 252 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.217 252 G C 0.353 174.972 174.900 -0.468 0.000 1.001 252 G CA 0.035 44.751 45.100 -0.640 0.000 0.627 252 G HN 0.998 nan 8.290 nan 0.000 0.501 253 S N 2.768 118.310 115.700 -0.264 0.000 2.405 253 S HA 0.530 5.000 4.470 -0.001 0.000 0.291 253 S C 0.072 174.573 174.600 -0.165 0.000 1.137 253 S CA -0.661 57.425 58.200 -0.190 0.000 1.061 253 S CB 1.317 64.456 63.200 -0.102 0.000 1.001 253 S HN 0.230 nan 8.310 nan 0.000 0.507 254 P HA -0.135 nan 4.420 nan 0.000 0.215 254 P C 0.666 177.915 177.300 -0.085 0.000 1.157 254 P CA 1.496 64.519 63.100 -0.129 0.000 0.868 254 P CB 0.019 31.648 31.700 -0.118 0.000 0.788 255 N N 0.055 118.711 118.700 -0.073 0.000 2.109 255 N HA -0.104 4.636 4.740 -0.001 0.000 0.188 255 N C 1.572 177.060 175.510 -0.038 0.000 1.034 255 N CA 1.151 54.171 53.050 -0.049 0.000 0.846 255 N CB -0.246 38.215 38.487 -0.044 0.000 1.010 255 N HN 0.299 nan 8.380 nan 0.000 0.425 256 K N 0.678 121.054 120.400 -0.040 0.000 2.440 256 K HA 0.253 4.573 4.320 -0.001 0.000 0.206 256 K C 1.087 177.680 176.600 -0.010 0.000 1.025 256 K CA -0.059 56.216 56.287 -0.020 0.000 1.135 256 K CB 0.582 33.073 32.500 -0.015 0.000 0.856 256 K HN 0.041 nan 8.250 nan 0.000 0.502 257 S N 1.316 117.002 115.700 -0.024 0.000 2.398 257 S HA -0.168 4.302 4.470 -0.001 0.000 0.220 257 S C 2.162 176.779 174.600 0.029 0.000 1.038 257 S CA 1.311 59.510 58.200 -0.001 0.000 1.080 257 S CB -1.509 61.672 63.200 -0.033 0.000 1.039 257 S HN 0.464 nan 8.310 nan 0.000 0.419 258 G N 2.292 111.105 108.800 0.022 0.000 2.615 258 G HA2 0.047 4.006 3.960 -0.001 0.000 0.213 258 G HA3 0.047 4.006 3.960 -0.001 0.000 0.213 258 G C 0.287 175.206 174.900 0.031 0.000 1.135 258 G CA 0.230 45.350 45.100 0.033 0.000 0.772 258 G HN 0.615 nan 8.290 nan 0.000 0.542 259 K N -0.627 119.791 120.400 0.031 0.000 2.395 259 K HA 0.367 4.687 4.320 -0.001 0.000 0.247 259 K C 1.075 177.700 176.600 0.041 0.000 0.973 259 K CA -0.175 56.128 56.287 0.027 0.000 0.828 259 K CB 1.766 34.276 32.500 0.017 0.000 1.272 259 K HN 0.007 nan 8.250 nan 0.000 0.439 260 S N -0.010 115.710 115.700 0.032 0.000 2.507 260 S HA -0.106 4.364 4.470 -0.001 0.000 0.235 260 S C 1.791 176.432 174.600 0.068 0.000 0.988 260 S CA 0.803 59.029 58.200 0.044 0.000 0.944 260 S CB -0.321 62.875 63.200 -0.007 0.000 0.762 260 S HN 0.640 nan 8.310 nan 0.000 0.526 261 A N 2.038 124.882 122.820 0.042 0.000 2.070 261 A HA -0.007 4.312 4.320 -0.001 0.000 0.220 261 A C 2.370 179.976 177.584 0.037 0.000 1.159 261 A CA 1.560 53.616 52.037 0.031 0.000 0.656 261 A CB -0.923 18.086 19.000 0.014 0.000 0.800 261 A HN 0.865 nan 8.150 nan 0.000 0.453 262 S N -1.755 113.977 115.700 0.053 0.000 2.575 262 S HA -0.034 4.436 4.470 -0.001 0.000 0.215 262 S C 1.647 176.287 174.600 0.066 0.000 0.966 262 S CA 0.542 58.768 58.200 0.044 0.000 0.911 262 S CB -0.614 62.612 63.200 0.044 0.000 0.780 262 S HN 0.742 nan 8.310 nan 0.000 0.514 263 H N 1.693 120.769 119.070 0.010 0.000 2.372 263 H HA 0.144 4.699 4.556 -0.001 0.000 0.301 263 H C 1.525 176.875 175.328 0.037 0.000 1.065 263 H CA 1.676 57.744 56.048 0.032 0.000 1.364 263 H CB -0.277 29.488 29.762 0.005 0.000 1.406 263 H HN 0.551 nan 8.280 nan 0.000 0.521 264 G N 0.057 108.790 108.800 -0.111 0.000 3.979 264 G HA2 0.220 4.180 3.960 -0.001 0.000 0.287 264 G HA3 0.220 4.180 3.960 -0.001 0.000 0.287 264 G C -0.814 173.869 174.900 -0.361 0.000 1.011 264 G CA 0.320 45.194 45.100 -0.376 0.000 0.818 264 G HN 0.454 nan 8.290 nan 0.000 0.470 265 S N -0.454 115.129 115.700 -0.196 0.000 2.550 265 S HA 0.670 5.140 4.470 -0.001 0.000 0.270 265 S C -3.480 171.075 174.600 -0.075 0.000 1.145 265 S CA -1.427 56.697 58.200 -0.127 0.000 0.852 265 S CB 2.311 65.468 63.200 -0.071 0.000 1.119 265 S HN -0.103 nan 8.310 nan 0.000 0.465 266 P HA 0.134 nan 4.420 nan 0.000 0.264 266 P C 1.311 178.594 177.300 -0.027 0.000 1.193 266 P CA -0.502 62.584 63.100 -0.023 0.000 0.763 266 P CB 0.220 31.918 31.700 -0.003 0.000 0.810 267 L N 1.159 122.364 121.223 -0.030 0.000 2.265 267 L HA 0.118 4.458 4.340 -0.001 0.000 0.215 267 L C 0.936 177.787 176.870 -0.031 0.000 1.117 267 L CA 0.892 55.713 54.840 -0.032 0.000 0.782 267 L CB -1.413 40.623 42.059 -0.038 0.000 0.914 267 L HN 0.584 nan 8.230 nan 0.000 0.441 268 G N -0.424 108.360 108.800 -0.028 0.000 2.690 268 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.686 268 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.686 268 G C 0.004 174.889 174.900 -0.026 0.000 1.277 268 G CA -0.268 44.819 45.100 -0.022 0.000 0.799 268 G HN 0.067 nan 8.290 nan 0.000 0.613 269 V N 0.588 120.491 119.914 -0.019 0.000 2.287 269 V HA -0.117 4.003 4.120 -0.001 0.000 0.248 269 V C 2.546 178.626 176.094 -0.023 0.000 1.053 269 V CA 3.053 65.342 62.300 -0.018 0.000 1.027 269 V CB -0.359 31.460 31.823 -0.008 0.000 0.646 269 V HN 0.780 nan 8.190 nan 0.000 0.447 270 E N -0.540 119.646 120.200 -0.023 0.000 2.072 270 E HA -0.167 4.183 4.350 -0.001 0.000 0.191 270 E C 2.250 178.827 176.600 -0.039 0.000 0.985 270 E CA 1.189 57.573 56.400 -0.027 0.000 0.801 270 E CB -0.295 29.391 29.700 -0.023 0.000 0.750 270 E HN 0.652 nan 8.360 nan 0.000 0.452 271 E N 0.329 120.502 120.200 -0.044 0.000 2.216 271 E HA -0.052 4.298 4.350 -0.001 0.000 0.192 271 E C 1.963 178.517 176.600 -0.076 0.000 0.988 271 E CA 0.636 57.000 56.400 -0.060 0.000 0.834 271 E CB 0.038 29.705 29.700 -0.054 0.000 0.772 271 E HN 0.198 nan 8.360 nan 0.000 0.479 272 T N 1.271 115.786 114.554 -0.064 0.000 2.674 272 T HA -0.147 4.202 4.350 -0.001 0.000 0.265 272 T C 1.861 176.519 174.700 -0.070 0.000 1.039 272 T CA 1.331 63.387 62.100 -0.072 0.000 1.150 272 T CB -0.078 68.753 68.868 -0.062 0.000 0.864 272 T HN 0.138 nan 8.240 nan 0.000 0.427 273 K N 0.697 121.069 120.400 -0.047 0.000 2.044 273 K HA -0.046 4.274 4.320 -0.001 0.000 0.210 273 K C 2.265 178.834 176.600 -0.052 0.000 1.049 273 K CA 1.194 57.464 56.287 -0.029 0.000 0.927 273 K CB -0.390 32.098 32.500 -0.019 0.000 0.713 273 K HN 0.289 nan 8.250 nan 0.000 0.443 274 L N 0.413 121.589 121.223 -0.078 0.000 2.093 274 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 274 L C 2.339 179.102 176.870 -0.178 0.000 1.085 274 L CA 1.315 56.092 54.840 -0.105 0.000 0.755 274 L CB -0.894 41.106 42.059 -0.099 0.000 0.904 274 L HN 0.282 nan 8.230 nan 0.000 0.435 275 T N -0.317 114.105 114.554 -0.220 0.000 2.737 275 T HA -0.163 4.187 4.350 -0.001 0.000 0.265 275 T C 1.957 176.332 174.700 -0.542 0.000 1.038 275 T CA 1.175 63.025 62.100 -0.417 0.000 1.144 275 T CB -0.053 68.618 68.868 -0.328 0.000 0.866 275 T HN 0.247 nan 8.240 nan 0.000 0.434 276 K N 0.988 121.261 120.400 -0.211 0.000 2.044 276 K HA -0.148 4.172 4.320 -0.001 0.000 0.210 276 K C 2.396 179.035 176.600 0.065 0.000 1.049 276 K CA 1.413 57.719 56.287 0.033 0.000 0.927 276 K CB -0.150 32.437 32.500 0.144 0.000 0.713 276 K HN 0.441 nan 8.250 nan 0.000 0.443 277 E N 0.312 120.503 120.200 -0.015 0.000 2.055 277 E HA -0.293 4.057 4.350 -0.001 0.000 0.209 277 E C 2.047 178.609 176.600 -0.064 0.000 1.036 277 E CA 1.575 57.960 56.400 -0.025 0.000 0.849 277 E CB -0.277 29.388 29.700 -0.060 0.000 0.767 277 E HN 0.393 nan 8.360 nan 0.000 0.461 278 A N 0.343 123.039 122.820 -0.206 0.000 2.084 278 A HA -0.198 4.122 4.320 -0.001 0.000 0.221 278 A C 1.559 179.055 177.584 -0.145 0.000 1.161 278 A CA 1.487 53.370 52.037 -0.257 0.000 0.653 278 A CB -0.625 18.110 19.000 -0.442 0.000 0.802 278 A HN 0.323 nan 8.150 nan 0.000 0.457 279 Y N -1.903 118.413 120.300 0.026 0.000 2.466 279 Y HA 0.435 4.985 4.550 -0.000 0.000 0.272 279 Y C 1.626 177.615 175.900 0.147 0.000 1.169 279 Y CA -0.509 57.647 58.100 0.092 0.000 1.285 279 Y CB -0.600 37.928 38.460 0.112 0.000 1.078 279 Y HN 0.513 nan 8.280 nan 0.000 0.523 280 A N -0.817 122.141 122.820 0.231 0.000 2.872 280 A HA -0.249 4.071 4.320 -0.001 0.000 0.273 280 A C 0.308 178.014 177.584 0.203 0.000 1.442 280 A CA 0.561 52.693 52.037 0.158 0.000 0.801 280 A CB -2.195 16.875 19.000 0.117 0.000 1.031 280 A HN 0.634 nan 8.150 nan 0.000 0.582 281 W N 1.778 123.129 121.300 0.086 0.000 2.507 281 W HA 0.346 5.005 4.660 -0.001 0.000 0.334 281 W C 1.097 177.628 176.519 0.021 0.000 1.165 281 W CA 0.612 58.001 57.345 0.073 0.000 1.460 281 W CB 0.582 30.119 29.460 0.128 0.000 1.404 281 W HN 0.737 nan 8.180 nan 0.000 0.435 282 T N 2.017 116.387 114.554 -0.306 0.000 3.044 282 T HA 0.134 4.484 4.350 -0.001 0.000 0.255 282 T C 1.217 175.707 174.700 -0.350 0.000 1.073 282 T CA 0.325 62.282 62.100 -0.238 0.000 1.125 282 T CB -0.074 68.677 68.868 -0.195 0.000 0.908 282 T HN 0.418 nan 8.240 nan 0.000 0.480 283 A N 2.675 125.067 122.820 -0.713 0.000 2.600 283 A HA 0.111 4.431 4.320 -0.001 0.000 0.244 283 A C 1.130 178.573 177.584 -0.235 0.000 1.016 283 A CA 0.504 52.153 52.037 -0.648 0.000 0.778 283 A CB -0.237 18.219 19.000 -0.906 0.000 0.920 283 A HN 0.800 nan 8.150 nan 0.000 0.513 284 E N 1.332 121.430 120.200 -0.170 0.000 2.498 284 E HA 0.182 4.532 4.350 -0.001 0.000 0.203 284 E C 0.401 177.013 176.600 0.021 0.000 1.013 284 E CA -0.171 56.207 56.400 -0.038 0.000 0.927 284 E CB 0.175 29.847 29.700 -0.047 0.000 1.012 284 E HN 0.682 nan 8.360 nan 0.000 0.482 285 Q N 1.315 121.136 119.800 0.035 0.000 2.226 285 Q HA 0.201 4.541 4.340 -0.001 0.000 0.256 285 Q C -1.007 175.110 176.000 0.195 0.000 0.962 285 Q CA -0.664 55.209 55.803 0.115 0.000 0.887 285 Q CB 1.406 30.226 28.738 0.135 0.000 1.282 285 Q HN 0.031 nan 8.270 nan 0.000 0.449 286 D N 1.600 122.109 120.400 0.180 0.000 2.339 286 D HA 0.151 4.791 4.640 -0.001 0.000 0.245 286 D C -0.368 176.097 176.300 0.275 0.000 1.115 286 D CA 0.243 54.310 54.000 0.111 0.000 0.917 286 D CB 0.302 41.100 40.800 -0.003 0.000 1.192 286 D HN 0.600 nan 8.370 nan 0.000 0.428 287 F N -0.682 119.360 119.950 0.154 0.000 2.965 287 F HA -0.243 4.284 4.527 -0.000 0.000 0.287 287 F C 0.616 176.528 175.800 0.187 0.000 0.790 287 F CA 0.276 58.343 58.000 0.112 0.000 1.279 287 F CB -1.985 37.053 39.000 0.063 0.000 1.409 287 F HN 0.510 nan 8.300 nan 0.000 0.446 288 H N 1.025 120.286 119.070 0.319 0.000 2.646 288 H HA 0.605 5.161 4.556 -0.000 0.000 0.325 288 H C -0.652 174.872 175.328 0.327 0.000 1.075 288 H CA 0.088 56.325 56.048 0.314 0.000 1.421 288 H CB 1.188 31.126 29.762 0.293 0.000 1.461 288 H HN 0.008 nan 8.280 nan 0.000 0.525 289 V N 4.674 124.311 119.914 -0.462 0.000 2.525 289 V HA 0.339 4.459 4.120 -0.001 0.000 0.299 289 V C 0.203 175.948 176.094 -0.581 0.000 1.034 289 V CA -0.910 61.146 62.300 -0.407 0.000 0.863 289 V CB 1.175 32.751 31.823 -0.413 0.000 0.999 289 V HN 0.974 nan 8.190 nan 0.000 0.423 290 A N 2.985 125.594 122.820 -0.353 0.000 2.445 290 A HA 0.375 4.695 4.320 -0.001 0.000 0.242 290 A C 1.246 178.806 177.584 -0.039 0.000 1.075 290 A CA -0.068 51.901 52.037 -0.114 0.000 0.777 290 A CB 0.256 19.260 19.000 0.007 0.000 1.013 290 A HN 0.863 nan 8.150 nan 0.000 0.493 291 E N 1.203 121.450 120.200 0.077 0.000 2.085 291 E HA -0.193 4.157 4.350 -0.001 0.000 0.194 291 E C 1.710 178.392 176.600 0.136 0.000 0.994 291 E CA 1.848 58.346 56.400 0.164 0.000 0.801 291 E CB -0.139 29.636 29.700 0.124 0.000 0.743 291 E HN 0.814 nan 8.360 nan 0.000 0.453 292 E N -0.036 120.211 120.200 0.080 0.000 2.130 292 E HA -0.146 4.204 4.350 -0.001 0.000 0.196 292 E C 2.183 178.834 176.600 0.085 0.000 0.998 292 E CA 1.012 57.453 56.400 0.069 0.000 0.806 292 E CB -0.255 29.469 29.700 0.041 0.000 0.738 292 E HN 0.058 nan 8.360 nan 0.000 0.459 293 V N 0.085 120.035 119.914 0.060 0.000 2.270 293 V HA -0.268 3.852 4.120 -0.001 0.000 0.245 293 V C 1.743 177.966 176.094 0.215 0.000 1.043 293 V CA 1.760 64.119 62.300 0.099 0.000 1.014 293 V CB -0.652 31.183 31.823 0.020 0.000 0.645 293 V HN 0.249 nan 8.190 nan 0.000 0.447 294 Y N 0.902 121.303 120.300 0.168 0.000 2.102 294 Y HA -0.313 4.237 4.550 -0.000 0.000 0.280 294 Y C 2.678 178.676 175.900 0.164 0.000 1.178 294 Y CA 2.004 60.187 58.100 0.139 0.000 1.146 294 Y CB -0.748 37.735 38.460 0.038 0.000 0.968 294 Y HN 0.397 nan 8.280 nan 0.000 0.504 295 E N 0.197 120.559 120.200 0.271 0.000 2.085 295 E HA -0.320 4.030 4.350 -0.001 0.000 0.194 295 E C 2.101 178.782 176.600 0.135 0.000 0.994 295 E CA 1.504 58.002 56.400 0.164 0.000 0.801 295 E CB -0.308 29.459 29.700 0.110 0.000 0.743 295 E HN 0.442 nan 8.360 nan 0.000 0.453 296 N N -0.468 118.309 118.700 0.129 0.000 2.104 296 N HA -0.184 4.555 4.740 -0.001 0.000 0.190 296 N C 1.476 176.987 175.510 0.002 0.000 1.024 296 N CA 1.631 54.703 53.050 0.037 0.000 0.853 296 N CB -0.343 38.144 38.487 -0.000 0.000 1.008 296 N HN 0.193 nan 8.380 nan 0.000 0.424 297 F N 0.302 120.322 119.950 0.117 0.000 2.234 297 F HA 0.171 4.698 4.527 -0.001 0.000 0.296 297 F C 2.577 178.418 175.800 0.069 0.000 1.089 297 F CA 0.626 58.697 58.000 0.119 0.000 1.343 297 F CB -0.279 38.815 39.000 0.158 0.000 1.040 297 F HN 0.023 nan 8.300 nan 0.000 0.498 298 R N 0.882 121.526 120.500 0.239 0.000 2.091 298 R HA -0.177 4.163 4.340 -0.001 0.000 0.238 298 R C 1.989 178.318 176.300 0.049 0.000 1.136 298 R CA 1.698 57.866 56.100 0.113 0.000 0.959 298 R CB -0.096 30.259 30.300 0.092 0.000 0.856 298 R HN 0.173 nan 8.270 nan 0.000 0.437 299 K N -0.724 119.700 120.400 0.040 0.000 2.007 299 K HA -0.076 4.243 4.320 -0.001 0.000 0.206 299 K C 2.156 178.740 176.600 -0.028 0.000 1.047 299 K CA 2.013 58.299 56.287 -0.001 0.000 0.937 299 K CB -0.131 32.365 32.500 -0.006 0.000 0.718 299 K HN 0.382 nan 8.250 nan 0.000 0.438 300 T N -1.783 112.744 114.554 -0.045 0.000 3.014 300 T HA 0.021 4.371 4.350 -0.001 0.000 0.263 300 T C 1.879 176.538 174.700 -0.068 0.000 1.078 300 T CA 0.606 62.652 62.100 -0.090 0.000 1.135 300 T CB 0.033 68.798 68.868 -0.173 0.000 0.895 300 T HN -0.086 nan 8.240 nan 0.000 0.480 301 V N 0.420 120.326 119.914 -0.013 0.000 2.721 301 V HA 0.143 4.263 4.120 -0.001 0.000 0.236 301 V C 2.776 178.793 176.094 -0.128 0.000 1.116 301 V CA 0.518 62.779 62.300 -0.065 0.000 1.148 301 V CB -0.544 31.327 31.823 0.081 0.000 0.886 301 V HN 0.273 nan 8.190 nan 0.000 0.490 302 Q N 0.163 119.925 119.800 -0.063 0.000 2.020 302 Q HA -0.234 4.106 4.340 -0.001 0.000 0.202 302 Q C 1.979 177.920 176.000 -0.097 0.000 0.982 302 Q CA 2.162 57.905 55.803 -0.101 0.000 0.838 302 Q CB -0.066 28.640 28.738 -0.053 0.000 0.899 302 Q HN 0.598 nan 8.270 nan 0.000 0.423 303 D N -0.616 119.747 120.400 -0.063 0.000 2.117 303 D HA -0.133 4.507 4.640 -0.001 0.000 0.197 303 D C 1.910 178.170 176.300 -0.066 0.000 0.987 303 D CA 1.024 54.988 54.000 -0.059 0.000 0.829 303 D CB -0.125 40.651 40.800 -0.040 0.000 0.961 303 D HN 0.118 nan 8.370 nan 0.000 0.460 304 V N 0.800 120.675 119.914 -0.065 0.000 2.427 304 V HA -0.115 4.005 4.120 -0.001 0.000 0.248 304 V C 2.485 178.547 176.094 -0.053 0.000 1.051 304 V CA 1.950 64.219 62.300 -0.052 0.000 1.048 304 V CB -0.894 30.899 31.823 -0.050 0.000 0.666 304 V HN 0.234 nan 8.190 nan 0.000 0.456 305 G N -0.680 108.064 108.800 -0.093 0.000 2.394 305 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.214 305 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.214 305 G C 1.417 176.200 174.900 -0.195 0.000 1.176 305 G CA 0.838 45.878 45.100 -0.100 0.000 0.786 305 G HN 0.487 nan 8.290 nan 0.000 0.533 306 E N 0.243 120.334 120.200 -0.182 0.000 2.068 306 E HA -0.173 4.177 4.350 -0.001 0.000 0.207 306 E C 2.740 179.238 176.600 -0.170 0.000 1.032 306 E CA 2.189 58.478 56.400 -0.185 0.000 0.839 306 E CB -0.517 29.107 29.700 -0.128 0.000 0.758 306 E HN 0.353 nan 8.360 nan 0.000 0.457 307 T N 0.134 114.623 114.554 -0.108 0.000 2.674 307 T HA -0.169 4.181 4.350 -0.001 0.000 0.265 307 T C 1.843 176.509 174.700 -0.057 0.000 1.039 307 T CA 1.542 63.601 62.100 -0.067 0.000 1.150 307 T CB -0.634 68.213 68.868 -0.034 0.000 0.864 307 T HN 0.363 nan 8.240 nan 0.000 0.427 308 A N 1.459 124.253 122.820 -0.043 0.000 1.903 308 A HA -0.286 4.034 4.320 -0.001 0.000 0.219 308 A C 2.278 179.798 177.584 -0.106 0.000 1.191 308 A CA 2.418 54.478 52.037 0.039 0.000 0.638 308 A CB -0.933 18.175 19.000 0.179 0.000 0.823 308 A HN 0.604 nan 8.150 nan 0.000 0.451 309 Q N -0.591 118.897 119.800 -0.520 0.000 2.119 309 Q HA 0.008 4.348 4.340 -0.001 0.000 0.201 309 Q C 2.017 177.867 176.000 -0.250 0.000 0.972 309 Q CA 1.884 57.162 55.803 -0.874 0.000 0.847 309 Q CB -0.443 27.571 28.738 -1.206 0.000 0.903 309 Q HN 0.559 nan 8.270 nan 0.000 0.433 310 A N 0.744 123.472 122.820 -0.153 0.000 1.902 310 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 310 A C 1.849 179.450 177.584 0.028 0.000 1.181 310 A CA 1.656 53.662 52.037 -0.052 0.000 0.623 310 A CB -0.575 18.393 19.000 -0.054 0.000 0.818 310 A HN 0.600 nan 8.150 nan 0.000 0.443 311 E N -1.844 118.392 120.200 0.059 0.000 2.150 311 E HA -0.219 4.130 4.350 -0.001 0.000 0.193 311 E C 1.733 178.437 176.600 0.174 0.000 0.985 311 E CA 1.169 57.631 56.400 0.102 0.000 0.814 311 E CB -0.217 29.552 29.700 0.115 0.000 0.752 311 E HN 0.874 nan 8.360 nan 0.000 0.466 312 W N 2.322 123.666 121.300 0.073 0.000 2.379 312 W HA -0.104 4.556 4.660 -0.000 0.000 0.307 312 W C 1.729 178.330 176.519 0.137 0.000 1.200 312 W CA 1.202 58.656 57.345 0.181 0.000 1.297 312 W CB -0.120 29.582 29.460 0.402 0.000 1.140 312 W HN -0.062 nan 8.180 nan 0.000 0.507 313 N N 0.096 118.925 118.700 0.215 0.000 2.149 313 N HA -0.110 4.629 4.740 -0.001 0.000 0.188 313 N C 0.887 176.360 175.510 -0.061 0.000 1.019 313 N CA 1.648 54.714 53.050 0.027 0.000 0.857 313 N CB -1.062 37.480 38.487 0.092 0.000 0.997 313 N HN 0.080 nan 8.380 nan 0.000 0.426 317 G N 0.510 109.287 108.800 -0.039 0.000 2.442 317 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.219 317 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.219 317 G C 1.069 175.981 174.900 0.020 0.000 1.141 317 G CA 1.212 46.307 45.100 -0.008 0.000 0.763 317 G HN 0.540 nan 8.290 nan 0.000 0.554 318 E N -0.811 119.441 120.200 0.087 0.000 2.152 318 E HA -0.099 4.250 4.350 -0.001 0.000 0.192 318 E C 2.075 178.714 176.600 0.065 0.000 0.983 318 E CA 0.654 57.145 56.400 0.152 0.000 0.818 318 E CB -0.207 29.676 29.700 0.304 0.000 0.758 318 E HN 0.560 nan 8.360 nan 0.000 0.467 319 Y N 1.796 121.984 120.300 -0.188 0.000 2.145 319 Y HA -0.222 4.328 4.550 -0.000 0.000 0.286 319 Y C 2.252 177.967 175.900 -0.308 0.000 1.145 319 Y CA 1.304 59.021 58.100 -0.638 0.000 1.148 319 Y CB -0.588 37.630 38.460 -0.404 0.000 0.981 319 Y HN -0.022 nan 8.280 nan 0.000 0.507 320 A N 0.260 122.961 122.820 -0.199 0.000 1.859 320 A HA -0.320 4.000 4.320 -0.001 0.000 0.217 320 A C 2.114 179.572 177.584 -0.210 0.000 1.198 320 A CA 2.305 54.208 52.037 -0.222 0.000 0.629 320 A CB -1.036 17.902 19.000 -0.102 0.000 0.830 320 A HN 0.595 nan 8.150 nan 0.000 0.446 321 Q N -0.729 118.982 119.800 -0.148 0.000 2.061 321 Q HA -0.073 4.266 4.340 -0.001 0.000 0.204 321 Q C 2.293 178.168 176.000 -0.207 0.000 0.984 321 Q CA 2.055 57.777 55.803 -0.137 0.000 0.846 321 Q CB -0.478 28.210 28.738 -0.084 0.000 0.902 321 Q HN 0.689 nan 8.270 nan 0.000 0.421 322 A N -1.157 121.493 122.820 -0.282 0.000 2.015 322 A HA -0.081 4.239 4.320 -0.001 0.000 0.219 322 A C 0.083 177.201 177.584 -0.776 0.000 1.163 322 A CA 0.913 52.663 52.037 -0.478 0.000 0.646 322 A CB 0.019 18.755 19.000 -0.439 0.000 0.806 322 A HN 0.439 nan 8.150 nan 0.000 0.448 323 Y N -1.856 118.213 120.300 -0.384 0.000 2.516 323 Y HA 0.270 4.820 4.550 -0.001 0.000 0.329 323 Y C -2.215 173.458 175.900 -0.379 0.000 1.095 323 Y CA -1.608 56.259 58.100 -0.389 0.000 1.213 323 Y CB 1.165 39.290 38.460 -0.558 0.000 1.109 323 Y HN 0.146 nan 8.280 nan 0.000 0.630 324 P HA -0.174 nan 4.420 nan 0.000 0.216 324 P C 1.494 178.740 177.300 -0.090 0.000 1.153 324 P CA 1.586 64.609 63.100 -0.127 0.000 0.844 324 P CB 0.445 32.088 31.700 -0.095 0.000 0.787 325 E N 0.181 120.348 120.200 -0.054 0.000 2.107 325 E HA -0.127 4.222 4.350 -0.001 0.000 0.191 325 E C 1.999 178.592 176.600 -0.011 0.000 0.982 325 E CA 0.936 57.322 56.400 -0.024 0.000 0.809 325 E CB -1.517 28.178 29.700 -0.008 0.000 0.756 325 E HN 0.151 nan 8.360 nan 0.000 0.459 326 L N 1.554 122.762 121.223 -0.024 0.000 2.046 326 L HA 0.030 4.370 4.340 -0.001 0.000 0.208 326 L C 2.478 179.362 176.870 0.023 0.000 1.077 326 L CA 2.275 57.124 54.840 0.015 0.000 0.747 326 L CB -0.937 41.087 42.059 -0.060 0.000 0.896 326 L HN 0.174 nan 8.230 nan 0.000 0.432 327 A N -0.973 121.748 122.820 -0.165 0.000 2.014 327 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 327 A C 2.198 179.756 177.584 -0.044 0.000 1.163 327 A CA 1.452 53.419 52.037 -0.117 0.000 0.652 327 A CB -0.754 18.084 19.000 -0.271 0.000 0.808 327 A HN 0.615 nan 8.150 nan 0.000 0.449 328 N N -0.364 118.310 118.700 -0.043 0.000 2.142 328 N HA -0.162 4.578 4.740 -0.001 0.000 0.186 328 N C 1.844 177.352 175.510 -0.004 0.000 1.023 328 N CA 1.421 54.456 53.050 -0.024 0.000 0.852 328 N CB -0.136 38.339 38.487 -0.020 0.000 0.998 328 N HN 0.722 nan 8.380 nan 0.000 0.424 329 E N 0.705 120.928 120.200 0.038 0.000 2.051 329 E HA -0.198 4.152 4.350 -0.001 0.000 0.192 329 E C 2.140 178.767 176.600 0.045 0.000 0.991 329 E CA 0.798 57.249 56.400 0.086 0.000 0.799 329 E CB -0.068 29.738 29.700 0.177 0.000 0.748 329 E HN 0.160 nan 8.360 nan 0.000 0.449 330 L N 1.431 122.618 121.223 -0.059 0.000 2.042 330 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 330 L C 2.462 179.162 176.870 -0.284 0.000 1.076 330 L CA 2.014 56.588 54.840 -0.444 0.000 0.749 330 L CB -0.792 40.849 42.059 -0.698 0.000 0.893 330 L HN 0.131 nan 8.230 nan 0.000 0.432 331 Q N 0.022 119.727 119.800 -0.159 0.000 2.045 331 Q HA -0.203 4.136 4.340 -0.001 0.000 0.206 331 Q C 2.216 178.161 176.000 -0.092 0.000 0.991 331 Q CA 2.591 58.324 55.803 -0.117 0.000 0.851 331 Q CB -0.720 27.982 28.738 -0.059 0.000 0.911 331 Q HN 0.648 nan 8.270 nan 0.000 0.418 332 A N 0.118 122.906 122.820 -0.054 0.000 1.933 332 A HA 0.178 4.497 4.320 -0.001 0.000 0.218 332 A C 1.361 178.930 177.584 -0.026 0.000 1.175 332 A CA 1.166 53.188 52.037 -0.024 0.000 0.628 332 A CB -1.114 17.885 19.000 -0.002 0.000 0.814 332 A HN 0.510 nan 8.150 nan 0.000 0.444 336 G N 1.755 110.574 108.800 0.033 0.000 2.225 336 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.267 336 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.267 336 G C -0.078 174.837 174.900 0.024 0.000 1.024 336 G CA 0.537 45.662 45.100 0.041 0.000 0.784 336 G HN 0.264 nan 8.290 nan 0.000 0.507 337 L N 0.070 121.302 121.223 0.014 0.000 2.290 337 L HA 0.533 4.873 4.340 -0.001 0.000 0.284 337 L C 1.089 177.950 176.870 -0.016 0.000 1.078 337 L CA -0.891 53.957 54.840 0.013 0.000 0.815 337 L CB 1.033 43.103 42.059 0.020 0.000 1.162 337 L HN 0.024 nan 8.230 nan 0.000 0.435 338 L N 4.335 125.536 121.223 -0.037 0.000 2.371 338 L HA 0.354 4.693 4.340 -0.001 0.000 0.272 338 L C -1.915 174.963 176.870 0.013 0.000 1.124 338 L CA -1.853 52.903 54.840 -0.139 0.000 0.816 338 L CB 0.349 42.200 42.059 -0.346 0.000 1.129 338 L HN 0.357 nan 8.230 nan 0.000 0.448 339 P HA 0.033 nan 4.420 nan 0.000 0.268 339 P C -0.562 176.867 177.300 0.215 0.000 1.205 339 P CA -0.413 62.748 63.100 0.101 0.000 0.771 339 P CB 0.462 32.211 31.700 0.081 0.000 0.858 340 E N 2.011 122.292 120.200 0.136 0.000 2.529 340 E HA 0.189 4.539 4.350 -0.001 0.000 0.259 340 E C 1.404 178.056 176.600 0.085 0.000 0.966 340 E CA 1.691 58.154 56.400 0.105 0.000 0.937 340 E CB -0.704 29.027 29.700 0.052 0.000 0.923 340 E HN 0.711 nan 8.360 nan 0.000 0.468 341 G N 5.004 113.815 108.800 0.019 0.000 2.168 341 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.263 341 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.263 341 G C 0.976 175.825 174.900 -0.084 0.000 0.977 341 G CA 0.673 45.730 45.100 -0.073 0.000 0.659 341 G HN 0.783 nan 8.290 nan 0.000 0.533 342 W N 1.553 122.812 121.300 -0.067 0.000 2.331 342 W HA -0.169 4.490 4.660 -0.000 0.000 0.291 342 W C 1.607 178.066 176.519 -0.100 0.000 1.214 342 W CA 1.614 58.910 57.345 -0.082 0.000 1.228 342 W CB -0.797 28.612 29.460 -0.086 0.000 1.135 342 W HN 0.554 nan 8.180 nan 0.000 0.537 343 E N 1.360 120.918 120.200 -1.069 0.000 2.478 343 E HA -0.203 4.147 4.350 -0.001 0.000 0.198 343 E C 1.760 178.075 176.600 -0.475 0.000 1.046 343 E CA 0.997 56.745 56.400 -1.087 0.000 0.870 343 E CB -0.822 28.071 29.700 -1.345 0.000 0.818 343 E HN 0.534 nan 8.360 nan 0.000 0.527 344 Q N 0.549 120.164 119.800 -0.307 0.000 2.124 344 Q HA -0.125 4.214 4.340 -0.001 0.000 0.202 344 Q C 1.880 177.795 176.000 -0.140 0.000 0.977 344 Q CA 1.283 56.972 55.803 -0.190 0.000 0.850 344 Q CB -0.172 28.488 28.738 -0.129 0.000 0.901 344 Q HN 0.204 nan 8.270 nan 0.000 0.429 345 N N 0.079 118.713 118.700 -0.110 0.000 2.258 345 N HA -0.125 4.614 4.740 -0.001 0.000 0.187 345 N C -0.213 175.249 175.510 -0.080 0.000 1.012 345 N CA 0.630 53.638 53.050 -0.070 0.000 0.870 345 N CB -0.087 38.386 38.487 -0.023 0.000 0.977 345 N HN 0.016 nan 8.380 nan 0.000 0.434 346 L N 1.275 122.431 121.223 -0.110 0.000 2.439 346 L HA 0.241 4.581 4.340 -0.001 0.000 0.269 346 L C -1.624 175.202 176.870 -0.072 0.000 1.179 346 L CA -1.522 53.269 54.840 -0.083 0.000 0.828 346 L CB -0.506 41.490 42.059 -0.104 0.000 1.106 346 L HN 0.048 nan 8.230 nan 0.000 0.467 347 P HA 0.170 nan 4.420 nan 0.000 0.267 347 P C -0.777 176.465 177.300 -0.097 0.000 1.200 347 P CA -0.061 62.971 63.100 -0.113 0.000 0.772 347 P CB 0.445 32.105 31.700 -0.065 0.000 0.855 348 T N 2.008 116.425 114.554 -0.227 0.000 2.863 348 T HA 0.448 4.798 4.350 -0.001 0.000 0.285 348 T C -0.960 173.516 174.700 -0.374 0.000 1.009 348 T CA -0.194 61.821 62.100 -0.142 0.000 0.989 348 T CB 0.485 69.300 68.868 -0.090 0.000 1.004 348 T HN 0.113 nan 8.240 nan 0.000 0.455 349 Y N 1.805 122.109 120.300 0.007 0.000 2.334 349 Y HA 0.376 4.926 4.550 -0.001 0.000 0.336 349 Y C 0.794 176.701 175.900 0.010 0.000 0.960 349 Y CA -1.041 57.066 58.100 0.012 0.000 1.164 349 Y CB 0.982 39.453 38.460 0.020 0.000 1.155 349 Y HN 0.437 nan 8.280 nan 0.000 0.478 350 E N 3.032 123.269 120.200 0.063 0.000 2.349 350 E HA 0.210 4.560 4.350 -0.001 0.000 0.265 350 E C -0.335 176.305 176.600 0.067 0.000 1.064 350 E CA -0.574 55.853 56.400 0.045 0.000 0.886 350 E CB 1.104 30.810 29.700 0.009 0.000 1.036 350 E HN 0.622 nan 8.360 nan 0.000 0.413 351 L N 1.122 122.375 121.223 0.050 0.000 2.601 351 L HA 0.044 4.384 4.340 -0.001 0.000 0.277 351 L C 1.485 178.381 176.870 0.043 0.000 1.219 351 L CA 1.158 56.027 54.840 0.048 0.000 0.915 351 L CB -0.283 41.798 42.059 0.036 0.000 1.160 351 L HN 0.920 nan 8.230 nan 0.000 0.494 352 G N 1.380 110.207 108.800 0.046 0.000 2.238 352 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.217 352 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.217 352 G C 0.297 175.226 174.900 0.049 0.000 0.996 352 G CA 0.067 45.191 45.100 0.039 0.000 0.632 352 G HN 0.743 nan 8.290 nan 0.000 0.503 353 S N -0.276 115.468 115.700 0.072 0.000 2.608 353 S HA 0.722 5.192 4.470 -0.001 0.000 0.261 353 S C -0.164 174.485 174.600 0.083 0.000 1.314 353 S CA 0.278 58.535 58.200 0.095 0.000 0.992 353 S CB 1.994 65.290 63.200 0.160 0.000 0.935 353 S HN 0.457 nan 8.310 nan 0.000 0.564 354 K N -0.224 120.226 120.400 0.083 0.000 2.427 354 K HA 0.778 5.098 4.320 -0.001 0.000 0.252 354 K C -1.325 175.302 176.600 0.045 0.000 0.931 354 K CA -0.201 56.112 56.287 0.044 0.000 0.793 354 K CB 2.316 34.834 32.500 0.030 0.000 1.211 354 K HN 0.937 nan 8.250 nan 0.000 0.426 355 A N 1.449 124.255 122.820 -0.023 0.000 2.488 355 A HA 0.744 5.064 4.320 -0.001 0.000 0.295 355 A C -1.286 176.248 177.584 -0.083 0.000 1.045 355 A CA -0.690 51.314 52.037 -0.054 0.000 0.703 355 A CB 1.318 20.212 19.000 -0.177 0.000 1.271 355 A HN 0.714 nan 8.150 nan 0.000 0.400 356 A N 1.493 124.284 122.820 -0.048 0.000 2.477 356 A HA 0.480 4.800 4.320 -0.001 0.000 0.246 356 A C 1.429 178.977 177.584 -0.061 0.000 1.078 356 A CA 0.558 52.562 52.037 -0.055 0.000 0.770 356 A CB -0.273 18.701 19.000 -0.042 0.000 1.011 356 A HN 1.845 nan 8.150 nan 0.000 0.494 357 T N 0.280 114.795 114.554 -0.065 0.000 3.007 357 T HA -0.183 4.167 4.350 -0.001 0.000 0.270 357 T C 1.591 176.299 174.700 0.013 0.000 1.107 357 T CA 1.204 63.275 62.100 -0.049 0.000 1.118 357 T CB -0.343 68.495 68.868 -0.050 0.000 0.889 357 T HN 0.845 nan 8.240 nan 0.000 0.506 358 R N 1.457 121.969 120.500 0.020 0.000 2.115 358 R HA 0.003 4.343 4.340 -0.001 0.000 0.230 358 R C 1.836 178.195 176.300 0.097 0.000 1.111 358 R CA 1.338 57.487 56.100 0.082 0.000 0.976 358 R CB -0.556 29.802 30.300 0.096 0.000 0.870 358 R HN 0.268 nan 8.270 nan 0.000 0.445 359 N N 0.876 119.615 118.700 0.064 0.000 2.173 359 N HA -0.097 4.643 4.740 -0.001 0.000 0.184 359 N C 1.760 177.332 175.510 0.103 0.000 1.025 359 N CA 1.423 54.523 53.050 0.083 0.000 0.852 359 N CB -0.445 38.084 38.487 0.070 0.000 0.998 359 N HN 0.190 nan 8.380 nan 0.000 0.427 360 S N 0.439 116.176 115.700 0.062 0.000 2.380 360 S HA -0.191 4.278 4.470 -0.001 0.000 0.229 360 S C 2.124 176.811 174.600 0.144 0.000 1.043 360 S CA 1.888 60.130 58.200 0.070 0.000 1.038 360 S CB -0.392 62.725 63.200 -0.138 0.000 0.872 360 S HN 0.447 nan 8.310 nan 0.000 0.456 361 S N 0.018 115.817 115.700 0.166 0.000 2.371 361 S HA 0.022 4.492 4.470 -0.001 0.000 0.224 361 S C 2.058 176.740 174.600 0.135 0.000 1.029 361 S CA 1.577 59.947 58.200 0.284 0.000 0.978 361 S CB -0.973 62.455 63.200 0.379 0.000 0.833 361 S HN 0.644 nan 8.310 nan 0.000 0.466 362 G N 0.973 109.843 108.800 0.117 0.000 2.440 362 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.218 362 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.218 362 G C 1.705 176.619 174.900 0.024 0.000 1.154 362 G CA 1.040 46.183 45.100 0.071 0.000 0.767 362 G HN 0.733 nan 8.290 nan 0.000 0.552 363 A N -0.028 122.826 122.820 0.057 0.000 1.902 363 A HA 0.100 4.419 4.320 -0.001 0.000 0.217 363 A C 2.622 180.188 177.584 -0.032 0.000 1.181 363 A CA 1.800 53.863 52.037 0.042 0.000 0.623 363 A CB -0.628 18.441 19.000 0.114 0.000 0.818 363 A HN 0.261 nan 8.150 nan 0.000 0.443 364 V N 0.178 120.052 119.914 -0.067 0.000 2.295 364 V HA -0.287 3.833 4.120 -0.001 0.000 0.246 364 V C 2.424 178.260 176.094 -0.430 0.000 1.049 364 V CA 2.114 64.277 62.300 -0.228 0.000 1.024 364 V CB -0.667 30.977 31.823 -0.299 0.000 0.648 364 V HN 0.583 nan 8.190 nan 0.000 0.447 365 I N 0.364 120.639 120.570 -0.491 0.000 2.194 365 I HA -0.288 3.882 4.170 -0.001 0.000 0.246 365 I C 2.382 178.393 176.117 -0.177 0.000 1.093 365 I CA 1.653 62.696 61.300 -0.430 0.000 1.355 365 I CB -0.454 37.361 38.000 -0.308 0.000 1.046 365 I HN 0.425 nan 8.210 nan 0.000 0.413 366 N N 0.668 119.302 118.700 -0.110 0.000 2.188 366 N HA -0.101 4.638 4.740 -0.001 0.000 0.184 366 N C 1.900 177.368 175.510 -0.071 0.000 1.018 366 N CA 1.435 54.455 53.050 -0.050 0.000 0.858 366 N CB -0.079 38.401 38.487 -0.011 0.000 0.989 366 N HN 0.345 nan 8.380 nan 0.000 0.426 367 A N 1.293 124.051 122.820 -0.103 0.000 1.969 367 A HA -0.014 4.306 4.320 -0.001 0.000 0.218 367 A C 2.232 179.745 177.584 -0.119 0.000 1.169 367 A CA 0.671 52.657 52.037 -0.085 0.000 0.635 367 A CB -0.421 18.536 19.000 -0.072 0.000 0.810 367 A HN 0.145 nan 8.150 nan 0.000 0.445 368 I N -0.274 120.138 120.570 -0.264 0.000 2.252 368 I HA -0.231 3.939 4.170 -0.001 0.000 0.245 368 I C 2.917 178.825 176.117 -0.348 0.000 1.102 368 I CA 0.957 61.976 61.300 -0.468 0.000 1.385 368 I CB -0.292 37.033 38.000 -1.125 0.000 1.064 368 I HN 0.332 nan 8.210 nan 0.000 0.414 369 A N 0.154 122.891 122.820 -0.138 0.000 2.024 369 A HA -0.270 4.049 4.320 -0.001 0.000 0.220 369 A C 2.298 179.894 177.584 0.020 0.000 1.164 369 A CA 1.980 54.065 52.037 0.079 0.000 0.643 369 A CB -0.592 18.495 19.000 0.145 0.000 0.806 369 A HN 0.539 nan 8.150 nan 0.000 0.451 370 E N -0.073 120.116 120.200 -0.018 0.000 2.158 370 E HA -0.103 4.247 4.350 -0.001 0.000 0.191 370 E C 1.811 178.409 176.600 -0.003 0.000 0.982 370 E CA 1.248 57.645 56.400 -0.005 0.000 0.823 370 E CB 0.016 29.711 29.700 -0.008 0.000 0.766 370 E HN 0.711 nan 8.360 nan 0.000 0.468 371 S N -0.969 114.722 115.700 -0.015 0.000 2.526 371 S HA 0.184 4.654 4.470 -0.001 0.000 0.220 371 S C 0.208 174.805 174.600 -0.005 0.000 1.017 371 S CA -0.523 57.691 58.200 0.024 0.000 0.930 371 S CB 1.205 64.465 63.200 0.098 0.000 0.856 371 S HN -0.002 nan 8.310 nan 0.000 0.497 372 V N 3.502 123.364 119.914 -0.087 0.000 2.385 372 V HA 0.409 4.528 4.120 -0.001 0.000 0.277 372 V C -2.179 173.897 176.094 -0.029 0.000 1.012 372 V CA -1.489 60.724 62.300 -0.145 0.000 0.832 372 V CB 1.625 33.208 31.823 -0.400 0.000 1.028 372 V HN 0.090 nan 8.190 nan 0.000 0.436 373 P HA -0.069 nan 4.420 nan 0.000 0.223 373 P C 1.467 178.840 177.300 0.122 0.000 1.151 373 P CA 1.023 64.161 63.100 0.063 0.000 0.787 373 P CB 0.235 31.966 31.700 0.051 0.000 0.788 374 S N -2.148 113.635 115.700 0.138 0.000 2.603 374 S HA 0.024 4.493 4.470 -0.001 0.000 0.220 374 S C 0.442 175.218 174.600 0.294 0.000 0.967 374 S CA -0.500 57.817 58.200 0.195 0.000 0.920 374 S CB -1.373 61.921 63.200 0.156 0.000 0.773 374 S HN 0.027 nan 8.310 nan 0.000 0.529 375 F N 2.000 122.010 119.950 0.099 0.000 2.484 375 F HA 0.471 4.998 4.527 -0.000 0.000 0.360 375 F C -0.315 175.641 175.800 0.260 0.000 1.101 375 F CA -0.807 57.279 58.000 0.144 0.000 1.251 375 F CB 0.514 39.551 39.000 0.062 0.000 1.132 375 F HN 0.225 nan 8.300 nan 0.000 0.570 376 F N 4.361 124.166 119.950 -0.242 0.000 2.670 376 F HA 0.601 5.128 4.527 -0.001 0.000 0.332 376 F C -0.721 174.715 175.800 -0.607 0.000 1.179 376 F CA -0.542 57.226 58.000 -0.386 0.000 1.076 376 F CB 1.192 39.975 39.000 -0.361 0.000 1.322 376 F HN 0.614 nan 8.300 nan 0.000 0.515 377 G N 1.802 109.953 108.800 -1.083 0.000 2.349 377 G HA2 0.639 4.599 3.960 -0.001 0.000 0.294 377 G HA3 0.639 4.599 3.960 -0.001 0.000 0.294 377 G C -1.233 172.963 174.900 -1.173 0.000 1.380 377 G CA 0.013 44.221 45.100 -1.485 0.000 0.811 377 G HN 1.460 nan 8.290 nan 0.000 0.519 378 G N -1.456 106.798 108.800 -0.910 0.000 2.510 378 G HA2 0.756 4.715 3.960 -0.001 0.000 0.277 378 G HA3 0.756 4.715 3.960 -0.001 0.000 0.277 378 G C -1.126 173.700 174.900 -0.123 0.000 1.223 378 G CA 0.869 45.721 45.100 -0.413 0.000 0.887 378 G HN 1.741 nan 8.290 nan 0.000 0.485 379 S N -1.562 114.114 115.700 -0.039 0.000 2.595 379 S HA 0.633 5.103 4.470 -0.001 0.000 0.281 379 S C 0.007 174.647 174.600 0.067 0.000 1.117 379 S CA 0.473 58.679 58.200 0.011 0.000 0.873 379 S CB 1.489 64.650 63.200 -0.064 0.000 1.108 379 S HN 1.842 nan 8.310 nan 0.000 0.477 380 A N 2.730 125.565 122.820 0.026 0.000 3.077 380 A HA 0.432 4.751 4.320 -0.001 0.000 0.255 380 A C 0.496 178.049 177.584 -0.052 0.000 1.728 380 A CA 0.536 52.582 52.037 0.014 0.000 1.383 380 A CB -1.524 17.452 19.000 -0.040 0.000 1.097 380 A HN 1.118 nan 8.150 nan 0.000 0.634 381 D N -1.237 119.131 120.400 -0.054 0.000 3.017 381 D HA -0.151 4.489 4.640 -0.001 0.000 0.220 381 D C -0.008 176.212 176.300 -0.133 0.000 1.141 381 D CA 1.276 55.236 54.000 -0.066 0.000 0.848 381 D CB -1.534 39.251 40.800 -0.024 0.000 1.102 381 D HN 0.480 nan 8.370 nan 0.000 0.427 382 L N -1.190 119.924 121.223 -0.182 0.000 3.431 382 L HA 0.526 4.865 4.340 -0.001 0.000 0.316 382 L C 2.007 178.789 176.870 -0.147 0.000 1.305 382 L CA 0.260 54.965 54.840 -0.226 0.000 0.995 382 L CB 0.107 41.899 42.059 -0.445 0.000 1.411 382 L HN 0.140 nan 8.230 nan 0.000 0.610 383 A N 0.562 123.274 122.820 -0.180 0.000 1.883 383 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 383 A C 2.226 179.773 177.584 -0.062 0.000 1.186 383 A CA 2.188 54.135 52.037 -0.150 0.000 0.624 383 A CB -0.720 18.075 19.000 -0.342 0.000 0.822 383 A HN 0.469 nan 8.150 nan 0.000 0.444 384 G N -1.192 107.561 108.800 -0.079 0.000 2.422 384 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.218 384 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.218 384 G C 1.760 176.702 174.900 0.070 0.000 1.146 384 G CA 1.328 46.424 45.100 -0.007 0.000 0.769 384 G HN 0.512 nan 8.290 nan 0.000 0.547 385 S N 0.947 116.698 115.700 0.084 0.000 2.406 385 S HA -0.035 4.435 4.470 -0.001 0.000 0.224 385 S C 2.118 176.892 174.600 0.290 0.000 1.030 385 S CA 0.469 58.799 58.200 0.217 0.000 0.958 385 S CB -0.129 63.219 63.200 0.247 0.000 0.811 385 S HN 0.336 nan 8.310 nan 0.000 0.489 386 N N 1.430 120.231 118.700 0.170 0.000 2.457 386 N HA 0.011 4.751 4.740 -0.001 0.000 0.180 386 N C -0.240 175.387 175.510 0.196 0.000 1.050 386 N CA 0.504 53.680 53.050 0.210 0.000 0.906 386 N CB -0.117 38.456 38.487 0.142 0.000 0.968 386 N HN 0.155 nan 8.380 nan 0.000 0.445 387 K N -0.382 120.113 120.400 0.158 0.000 3.125 387 K HA -0.127 4.193 4.320 -0.001 0.000 0.268 387 K C 0.518 177.216 176.600 0.162 0.000 1.078 387 K CA 1.008 57.385 56.287 0.150 0.000 0.775 387 K CB -2.916 29.670 32.500 0.144 0.000 1.253 387 K HN 0.511 nan 8.250 nan 0.000 0.486 388 T N -4.257 110.405 114.554 0.179 0.000 3.069 388 T HA 0.093 4.443 4.350 -0.001 0.000 0.252 388 T C 0.866 175.701 174.700 0.224 0.000 1.053 388 T CA -0.252 61.989 62.100 0.235 0.000 0.964 388 T CB -0.018 69.034 68.868 0.306 0.000 1.005 388 T HN 0.275 nan 8.240 nan 0.000 0.532 392 N N 1.176 119.904 118.700 0.047 0.000 2.320 392 N HA 0.134 4.873 4.740 -0.001 0.000 0.237 392 N C -0.770 174.760 175.510 0.034 0.000 1.129 392 N CA 0.562 53.641 53.050 0.048 0.000 0.854 392 N CB 0.650 39.160 38.487 0.039 0.000 1.083 392 N HN 0.304 nan 8.380 nan 0.000 0.504 393 E N 0.688 120.891 120.200 0.004 0.000 2.263 393 E HA 0.366 4.716 4.350 -0.001 0.000 0.264 393 E C 0.135 176.759 176.600 0.040 0.000 0.923 393 E CA -0.634 55.775 56.400 0.016 0.000 0.802 393 E CB 1.760 31.461 29.700 0.002 0.000 1.228 393 E HN -0.136 nan 8.360 nan 0.000 0.417 394 K N 0.829 121.279 120.400 0.083 0.000 2.117 394 K HA 0.309 4.629 4.320 -0.001 0.000 0.240 394 K C -0.159 176.542 176.600 0.169 0.000 1.031 394 K CA -0.558 55.801 56.287 0.120 0.000 0.909 394 K CB 0.324 32.883 32.500 0.099 0.000 1.097 394 K HN 0.318 nan 8.250 nan 0.000 0.492 395 D N 0.534 121.061 120.400 0.211 0.000 2.302 395 D HA 0.065 4.704 4.640 -0.001 0.000 0.248 395 D C -0.385 176.063 176.300 0.246 0.000 1.094 395 D CA -0.257 53.911 54.000 0.281 0.000 0.897 395 D CB 0.332 41.264 40.800 0.220 0.000 1.200 395 D HN 0.204 nan 8.370 nan 0.000 0.429 396 F N 1.985 122.021 119.950 0.143 0.000 2.462 396 F HA 0.236 4.763 4.527 -0.001 0.000 0.360 396 F C 0.353 176.190 175.800 0.062 0.000 1.134 396 F CA 0.256 58.340 58.000 0.139 0.000 1.148 396 F CB 0.336 39.426 39.000 0.150 0.000 1.147 396 F HN 0.025 nan 8.300 nan 0.000 0.550 397 T N 5.369 119.647 114.554 -0.459 0.000 2.812 397 T HA 0.268 4.618 4.350 -0.001 0.000 0.294 397 T C 1.081 175.284 174.700 -0.828 0.000 1.159 397 T CA -0.690 61.097 62.100 -0.522 0.000 1.008 397 T CB 1.223 69.888 68.868 -0.338 0.000 1.289 397 T HN 0.670 nan 8.240 nan 0.000 0.514 398 R N 0.989 121.085 120.500 -0.673 0.000 2.249 398 R HA -0.062 4.278 4.340 -0.001 0.000 0.230 398 R C 0.203 176.041 176.300 -0.769 0.000 1.121 398 R CA 1.817 57.480 56.100 -0.728 0.000 0.997 398 R CB -0.293 29.745 30.300 -0.437 0.000 0.867 398 R HN 0.497 nan 8.270 nan 0.000 0.465 399 D N 0.023 120.068 120.400 -0.591 0.000 2.392 399 D HA 0.022 4.661 4.640 -0.001 0.000 0.206 399 D C -0.409 175.650 176.300 -0.402 0.000 1.046 399 D CA 0.532 54.279 54.000 -0.421 0.000 0.865 399 D CB 0.349 40.981 40.800 -0.280 0.000 0.969 399 D HN 0.160 nan 8.370 nan 0.000 0.509 400 D N -0.377 119.741 120.400 -0.471 0.000 2.381 400 D HA 0.020 4.660 4.640 -0.001 0.000 0.245 400 D C -0.108 176.054 176.300 -0.230 0.000 1.297 400 D CA -0.535 53.297 54.000 -0.280 0.000 0.931 400 D CB -0.196 40.527 40.800 -0.129 0.000 1.334 400 D HN -0.203 nan 8.370 nan 0.000 0.535 401 Y N 0.786 121.010 120.300 -0.128 0.000 2.680 401 Y HA -0.053 4.497 4.550 -0.001 0.000 0.303 401 Y C 2.399 178.491 175.900 0.321 0.000 1.166 401 Y CA 0.988 59.058 58.100 -0.051 0.000 1.344 401 Y CB -0.171 38.264 38.460 -0.043 0.000 1.002 401 Y HN 0.344 nan 8.280 nan 0.000 0.537 402 S N -1.592 114.274 115.700 0.277 0.000 2.558 402 S HA 0.185 4.655 4.470 -0.001 0.000 0.217 402 S C 1.333 176.150 174.600 0.361 0.000 0.975 402 S CA 0.021 58.340 58.200 0.198 0.000 0.912 402 S CB -0.418 62.791 63.200 0.015 0.000 0.776 402 S HN 0.249 nan 8.310 nan 0.000 0.526 403 G N 1.001 110.043 108.800 0.402 0.000 2.491 403 G HA2 0.341 4.301 3.960 -0.001 0.000 0.242 403 G HA3 0.341 4.301 3.960 -0.001 0.000 0.242 403 G C 0.236 175.425 174.900 0.482 0.000 1.266 403 G CA -0.626 44.686 45.100 0.353 0.000 0.844 403 G HN 0.404 nan 8.290 nan 0.000 0.571 404 K N 0.505 121.088 120.400 0.306 0.000 2.354 404 K HA 0.078 4.398 4.320 -0.001 0.000 0.194 404 K C 0.422 177.016 176.600 -0.010 0.000 1.045 404 K CA -0.087 56.350 56.287 0.250 0.000 1.026 404 K CB 0.344 32.976 32.500 0.220 0.000 0.866 404 K HN 0.333 nan 8.250 nan 0.000 0.530 405 N N 1.782 120.480 118.700 -0.003 0.000 2.408 405 N HA 0.168 4.908 4.740 -0.001 0.000 0.257 405 N C -0.658 174.839 175.510 -0.022 0.000 1.064 405 N CA 0.141 53.121 53.050 -0.117 0.000 0.952 405 N CB 0.964 39.403 38.487 -0.080 0.000 1.093 405 N HN 0.048 nan 8.380 nan 0.000 0.490 406 I N 1.697 122.067 120.570 -0.333 0.000 2.353 406 I HA 0.236 4.405 4.170 -0.001 0.000 0.293 406 I C -0.386 175.575 176.117 -0.261 0.000 0.992 406 I CA -0.722 60.362 61.300 -0.360 0.000 1.268 406 I CB 0.872 38.295 38.000 -0.961 0.000 1.387 406 I HN 0.278 nan 8.210 nan 0.000 0.478 407 W N 6.203 127.370 121.300 -0.223 0.000 2.295 407 W HA 0.338 4.998 4.660 -0.001 0.000 0.333 407 W C 0.372 176.789 176.519 -0.171 0.000 0.990 407 W CA -0.476 56.796 57.345 -0.121 0.000 1.453 407 W CB -0.114 29.326 29.460 -0.033 0.000 1.263 407 W HN 0.442 nan 8.180 nan 0.000 0.380 408 Y N 2.023 122.361 120.300 0.063 0.000 2.509 408 Y HA 0.112 4.662 4.550 -0.001 0.000 0.293 408 Y C 2.020 177.931 175.900 0.019 0.000 1.133 408 Y CA 1.025 59.138 58.100 0.023 0.000 1.283 408 Y CB -0.590 37.849 38.460 -0.036 0.000 1.001 408 Y HN 0.522 nan 8.280 nan 0.000 0.555 409 G N -0.195 108.705 108.800 0.168 0.000 2.752 409 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.234 409 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.234 409 G C -0.433 174.492 174.900 0.042 0.000 1.367 409 G CA -0.422 44.728 45.100 0.084 0.000 0.879 409 G HN 0.025 nan 8.290 nan 0.000 0.563 410 V N 1.475 121.383 119.914 -0.010 0.000 1.973 410 V HA 0.347 4.467 4.120 -0.001 0.000 0.255 410 V C 1.159 177.214 176.094 -0.064 0.000 1.605 410 V CA 1.023 63.278 62.300 -0.074 0.000 1.542 410 V CB -0.819 30.943 31.823 -0.102 0.000 1.504 410 V HN 0.532 nan 8.190 nan 0.000 0.505 411 R N 1.353 121.837 120.500 -0.027 0.000 2.701 411 R HA 0.265 4.604 4.340 -0.001 0.000 0.281 411 R C 0.542 176.845 176.300 0.004 0.000 1.367 411 R CA -0.321 55.783 56.100 0.008 0.000 1.510 411 R CB 0.787 31.114 30.300 0.044 0.000 1.306 411 R HN 0.417 nan 8.270 nan 0.000 0.682 412 E N 0.540 120.734 120.200 -0.009 0.000 2.058 412 E HA -0.211 4.139 4.350 -0.001 0.000 0.194 412 E C 1.197 177.876 176.600 0.130 0.000 0.997 412 E CA 1.484 57.896 56.400 0.020 0.000 0.801 412 E CB -0.055 29.652 29.700 0.010 0.000 0.746 412 E HN 0.269 nan 8.360 nan 0.000 0.450 413 F N 1.063 121.020 119.950 0.011 0.000 2.102 413 F HA 0.071 4.597 4.527 -0.001 0.000 0.298 413 F C 1.248 177.031 175.800 -0.027 0.000 1.105 413 F CA 0.720 58.726 58.000 0.010 0.000 1.239 413 F CB -1.025 37.992 39.000 0.029 0.000 0.991 413 F HN -0.057 nan 8.300 nan 0.000 0.474 417 A N 1.114 124.005 122.820 0.118 0.000 1.929 417 A HA 0.670 4.990 4.320 -0.001 0.000 0.216 417 A C 1.913 179.515 177.584 0.030 0.000 1.176 417 A CA 1.990 54.072 52.037 0.074 0.000 0.628 417 A CB -0.787 18.216 19.000 0.005 0.000 0.816 417 A HN 1.567 nan 8.150 nan 0.000 0.444 421 G N 1.726 110.527 108.800 0.001 0.000 2.408 421 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.217 421 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.217 421 G C 1.526 176.442 174.900 0.027 0.000 1.150 421 G CA 0.835 45.933 45.100 -0.003 0.000 0.776 421 G HN 0.260 nan 8.290 nan 0.000 0.542 422 I N 1.406 122.002 120.570 0.043 0.000 2.208 422 I HA -0.191 3.978 4.170 -0.001 0.000 0.245 422 I C 3.246 179.418 176.117 0.091 0.000 1.097 422 I CA 1.105 62.449 61.300 0.075 0.000 1.363 422 I CB -0.132 37.928 38.000 0.099 0.000 1.051 422 I HN 0.240 nan 8.210 nan 0.000 0.413 423 A N 0.561 123.415 122.820 0.056 0.000 1.930 423 A HA -0.102 4.218 4.320 -0.001 0.000 0.217 423 A C 2.298 179.904 177.584 0.037 0.000 1.175 423 A CA 1.156 53.228 52.037 0.059 0.000 0.627 423 A CB -0.739 18.281 19.000 0.032 0.000 0.815 423 A HN 0.359 nan 8.150 nan 0.000 0.443 424 L N -1.252 119.945 121.223 -0.043 0.000 2.046 424 L HA -0.215 4.125 4.340 -0.001 0.000 0.208 424 L C 2.728 179.565 176.870 -0.055 0.000 1.077 424 L CA 1.575 56.316 54.840 -0.166 0.000 0.747 424 L CB -0.647 41.250 42.059 -0.269 0.000 0.896 424 L HN 0.595 nan 8.230 nan 0.000 0.432 425 H N 0.577 119.607 119.070 -0.067 0.000 2.353 425 H HA -0.083 4.473 4.556 -0.001 0.000 0.298 425 H C 0.839 176.168 175.328 0.001 0.000 1.103 425 H CA 1.365 57.364 56.048 -0.082 0.000 1.293 425 H CB 0.017 29.730 29.762 -0.083 0.000 1.372 425 H HN 0.338 nan 8.280 nan 0.000 0.501 426 G N -2.481 106.478 108.800 0.264 0.000 2.675 426 G HA2 0.168 4.127 3.960 -0.001 0.000 0.686 426 G HA3 0.168 4.127 3.960 -0.001 0.000 0.686 426 G C 0.678 175.899 174.900 0.536 0.000 1.215 426 G CA 0.295 45.617 45.100 0.369 0.000 0.777 426 G HN 1.070 nan 8.290 nan 0.000 0.638 427 G N -1.152 107.854 108.800 0.344 0.000 2.176 427 G HA2 0.011 3.971 3.960 -0.001 0.000 0.232 427 G HA3 0.011 3.971 3.960 -0.001 0.000 0.232 427 G C 0.257 175.294 174.900 0.227 0.000 0.986 427 G CA 0.720 45.984 45.100 0.274 0.000 0.643 427 G HN 1.548 nan 8.290 nan 0.000 0.522 428 L N 0.168 121.518 121.223 0.212 0.000 2.401 428 L HA 0.619 4.959 4.340 -0.001 0.000 0.266 428 L C -0.517 176.464 176.870 0.184 0.000 0.991 428 L CA -1.226 53.728 54.840 0.190 0.000 0.818 428 L CB 2.082 44.239 42.059 0.164 0.000 1.321 428 L HN -0.188 nan 8.230 nan 0.000 0.413 429 K N 2.331 122.861 120.400 0.217 0.000 2.263 429 K HA 0.493 4.812 4.320 -0.001 0.000 0.272 429 K C -0.503 176.243 176.600 0.243 0.000 1.033 429 K CA -0.320 56.111 56.287 0.239 0.000 0.884 429 K CB 1.772 34.451 32.500 0.299 0.000 1.107 429 K HN 0.683 nan 8.250 nan 0.000 0.460 430 T N 0.353 114.996 114.554 0.149 0.000 2.950 430 T HA 0.711 5.061 4.350 -0.001 0.000 0.288 430 T C -0.423 174.323 174.700 0.078 0.000 1.035 430 T CA -0.834 61.279 62.100 0.021 0.000 1.028 430 T CB 1.022 69.850 68.868 -0.067 0.000 1.109 430 T HN 0.507 nan 8.240 nan 0.000 0.514 431 Y N -2.132 118.067 120.300 -0.169 0.000 2.609 431 Y HA 0.794 5.344 4.550 -0.000 0.000 0.336 431 Y C -0.684 175.149 175.900 -0.112 0.000 1.129 431 Y CA -1.508 56.522 58.100 -0.116 0.000 1.040 431 Y CB 1.190 39.691 38.460 0.069 0.000 1.310 431 Y HN 1.047 nan 8.280 nan 0.000 0.460 432 G N 0.074 108.869 108.800 -0.008 0.000 2.687 432 G HA2 0.567 4.526 3.960 -0.001 0.000 0.301 432 G HA3 0.567 4.526 3.960 -0.001 0.000 0.301 432 G C -1.303 173.658 174.900 0.102 0.000 1.416 432 G CA -0.666 44.408 45.100 -0.043 0.000 1.005 432 G HN 1.125 nan 8.290 nan 0.000 0.509 433 G N -0.440 108.430 108.800 0.117 0.000 2.415 433 G HA2 0.698 4.658 3.960 -0.001 0.000 0.327 433 G HA3 0.698 4.658 3.960 -0.001 0.000 0.327 433 G C -0.688 174.298 174.900 0.143 0.000 1.182 433 G CA -0.278 44.919 45.100 0.162 0.000 0.924 433 G HN 0.817 nan 8.290 nan 0.000 0.470 434 T N -0.024 114.682 114.554 0.254 0.000 2.711 434 T HA 0.546 4.895 4.350 -0.001 0.000 0.302 434 T C -1.212 173.651 174.700 0.272 0.000 1.373 434 T CA -0.596 61.605 62.100 0.168 0.000 1.000 434 T CB 0.699 69.681 68.868 0.190 0.000 1.483 434 T HN 0.192 nan 8.240 nan 0.000 0.499 435 F N 2.678 122.695 119.950 0.110 0.000 2.529 435 F HA 0.310 4.836 4.527 -0.001 0.000 0.365 435 F C 1.345 177.131 175.800 -0.023 0.000 1.102 435 F CA -1.077 56.886 58.000 -0.061 0.000 1.271 435 F CB -0.074 38.639 39.000 -0.478 0.000 1.120 435 F HN 0.602 nan 8.300 nan 0.000 0.579 436 F N 2.637 122.631 119.950 0.074 0.000 2.120 436 F HA -0.216 4.311 4.527 -0.001 0.000 0.300 436 F C 2.125 177.740 175.800 -0.308 0.000 1.095 436 F CA 1.639 59.536 58.000 -0.173 0.000 1.249 436 F CB -0.700 38.279 39.000 -0.037 0.000 0.995 436 F HN 0.207 nan 8.300 nan 0.000 0.480 437 V N -0.242 119.491 119.914 -0.302 0.000 2.594 437 V HA -0.272 3.848 4.120 -0.001 0.000 0.253 437 V C 1.861 177.784 176.094 -0.285 0.000 1.069 437 V CA 1.627 63.657 62.300 -0.449 0.000 1.082 437 V CB -0.708 30.801 31.823 -0.523 0.000 0.680 437 V HN 0.232 nan 8.190 nan 0.000 0.469 438 F N 0.565 120.441 119.950 -0.123 0.000 2.765 438 F HA 0.163 4.689 4.527 -0.000 0.000 0.302 438 F C 2.444 178.155 175.800 -0.148 0.000 1.111 438 F CA 0.350 58.294 58.000 -0.093 0.000 1.359 438 F CB -1.280 37.607 39.000 -0.188 0.000 1.097 438 F HN 0.321 nan 8.300 nan 0.000 0.577 439 S N -0.536 115.000 115.700 -0.275 0.000 2.400 439 S HA -0.227 4.243 4.470 -0.001 0.000 0.232 439 S C 1.600 176.047 174.600 -0.254 0.000 1.025 439 S CA 1.557 59.447 58.200 -0.517 0.000 0.993 439 S CB -0.429 62.091 63.200 -1.134 0.000 0.808 439 S HN 0.291 nan 8.310 nan 0.000 0.478 440 D N 0.810 121.109 120.400 -0.168 0.000 2.182 440 D HA -0.095 4.544 4.640 -0.001 0.000 0.201 440 D C 1.496 177.708 176.300 -0.146 0.000 0.986 440 D CA 1.176 55.086 54.000 -0.150 0.000 0.847 440 D CB -0.502 40.228 40.800 -0.117 0.000 0.942 440 D HN 0.538 nan 8.370 nan 0.000 0.467 441 Y N 0.470 120.666 120.300 -0.174 0.000 2.333 441 Y HA -0.065 4.484 4.550 -0.001 0.000 0.290 441 Y C 2.108 177.814 175.900 -0.322 0.000 1.144 441 Y CA 0.743 58.729 58.100 -0.190 0.000 1.228 441 Y CB -0.224 38.163 38.460 -0.121 0.000 0.985 441 Y HN 0.031 nan 8.280 nan 0.000 0.542 442 L N -2.790 118.339 121.223 -0.157 0.000 2.857 442 L HA 0.430 4.769 4.340 -0.001 0.000 0.249 442 L C 1.838 178.482 176.870 -0.377 0.000 1.172 442 L CA 0.014 54.680 54.840 -0.290 0.000 0.980 442 L CB -0.154 41.900 42.059 -0.008 0.000 1.299 442 L HN -0.192 nan 8.230 nan 0.000 0.535 443 R N 1.598 121.873 120.500 -0.375 0.000 2.134 443 R HA -0.135 4.204 4.340 -0.001 0.000 0.248 443 R C -0.570 175.582 176.300 -0.247 0.000 1.143 443 R CA 2.547 58.480 56.100 -0.277 0.000 0.957 443 R CB -1.180 28.972 30.300 -0.245 0.000 0.867 443 R HN 0.370 nan 8.270 nan 0.000 0.441 444 P HA -0.043 nan 4.420 nan 0.000 0.220 444 P C 0.479 177.791 177.300 0.021 0.000 1.148 444 P CA 1.649 64.651 63.100 -0.164 0.000 0.803 444 P CB 0.047 31.660 31.700 -0.145 0.000 0.782 445 A N -0.595 122.258 122.820 0.055 0.000 1.898 445 A HA -0.089 4.231 4.320 -0.001 0.000 0.214 445 A C 2.138 179.812 177.584 0.149 0.000 1.183 445 A CA 0.913 53.074 52.037 0.208 0.000 0.622 445 A CB -1.435 17.761 19.000 0.326 0.000 0.824 445 A HN 0.067 nan 8.150 nan 0.000 0.444 446 I N -0.652 119.964 120.570 0.077 0.000 2.151 446 I HA -0.322 3.848 4.170 -0.001 0.000 0.243 446 I C 2.729 178.919 176.117 0.122 0.000 1.080 446 I CA 1.969 63.337 61.300 0.113 0.000 1.339 446 I CB -0.353 37.618 38.000 -0.048 0.000 1.039 446 I HN 0.372 nan 8.210 nan 0.000 0.409 447 R N 1.140 121.678 120.500 0.063 0.000 2.096 447 R HA -0.136 4.204 4.340 -0.001 0.000 0.235 447 R C 2.324 178.676 176.300 0.087 0.000 1.127 447 R CA 1.261 57.399 56.100 0.063 0.000 0.968 447 R CB -0.087 30.230 30.300 0.029 0.000 0.861 447 R HN 0.352 nan 8.270 nan 0.000 0.440 448 L N -0.036 121.246 121.223 0.098 0.000 2.141 448 L HA -0.067 4.273 4.340 -0.001 0.000 0.209 448 L C 2.582 179.524 176.870 0.120 0.000 1.094 448 L CA 1.040 55.942 54.840 0.104 0.000 0.763 448 L CB -0.526 41.596 42.059 0.104 0.000 0.908 448 L HN 0.325 nan 8.230 nan 0.000 0.437 449 A N 0.187 123.091 122.820 0.140 0.000 1.930 449 A HA -0.122 4.198 4.320 -0.001 0.000 0.217 449 A C 2.541 180.209 177.584 0.141 0.000 1.175 449 A CA 1.584 53.707 52.037 0.145 0.000 0.627 449 A CB -0.482 18.636 19.000 0.198 0.000 0.815 449 A HN 0.387 nan 8.150 nan 0.000 0.443 450 A N -0.456 122.448 122.820 0.141 0.000 1.873 450 A HA 0.182 4.502 4.320 -0.001 0.000 0.215 450 A C 1.360 179.016 177.584 0.120 0.000 1.186 450 A CA 0.763 52.875 52.037 0.125 0.000 0.616 450 A CB -0.614 18.454 19.000 0.114 0.000 0.823 450 A HN 0.450 nan 8.150 nan 0.000 0.442 454 L N 3.312 124.613 121.223 0.131 0.000 2.276 454 L HA 0.391 4.731 4.340 -0.001 0.000 0.286 454 L C -1.791 175.114 176.870 0.058 0.000 1.061 454 L CA -1.636 53.262 54.840 0.096 0.000 0.807 454 L CB 0.605 42.703 42.059 0.066 0.000 1.177 454 L HN -0.079 nan 8.230 nan 0.000 0.429 455 P HA 0.072 nan 4.420 nan 0.000 0.214 455 P C -0.164 177.130 177.300 -0.010 0.000 1.826 455 P CA -0.126 62.992 63.100 0.030 0.000 0.977 455 P CB 0.171 31.906 31.700 0.057 0.000 1.930 456 V N -0.566 119.298 119.914 -0.082 0.000 3.003 456 V HA 0.549 4.669 4.120 -0.001 0.000 0.305 456 V C 0.095 175.982 176.094 -0.345 0.000 1.078 456 V CA 0.001 62.186 62.300 -0.191 0.000 1.083 456 V CB 0.624 32.285 31.823 -0.271 0.000 1.039 456 V HN 0.131 nan 8.190 nan 0.000 0.481 457 T N 3.252 117.598 114.554 -0.346 0.000 2.812 457 T HA 0.605 4.955 4.350 -0.001 0.000 0.282 457 T C -1.087 173.287 174.700 -0.543 0.000 0.990 457 T CA 0.039 61.889 62.100 -0.418 0.000 0.960 457 T CB 0.786 69.505 68.868 -0.247 0.000 0.948 457 T HN 0.606 nan 8.240 nan 0.000 0.438 458 Y N 1.237 121.333 120.300 -0.341 0.000 2.320 458 Y HA 0.487 5.037 4.550 -0.001 0.000 0.334 458 Y C 0.254 175.764 175.900 -0.650 0.000 1.055 458 Y CA -1.250 56.480 58.100 -0.617 0.000 1.143 458 Y CB 0.854 38.568 38.460 -1.243 0.000 1.193 458 Y HN 0.272 nan 8.280 nan 0.000 0.477 459 V N 5.438 125.195 119.914 -0.262 0.000 2.259 459 V HA 0.217 4.337 4.120 -0.001 0.000 0.267 459 V C -0.905 175.211 176.094 0.036 0.000 1.051 459 V CA -0.650 61.598 62.300 -0.086 0.000 0.830 459 V CB -0.714 31.203 31.823 0.156 0.000 1.080 459 V HN 0.443 nan 8.190 nan 0.000 0.467 460 F N 3.478 123.484 119.950 0.092 0.000 2.313 460 F HA 0.508 5.035 4.527 -0.001 0.000 0.369 460 F C 1.021 176.865 175.800 0.073 0.000 1.109 460 F CA -0.912 57.159 58.000 0.119 0.000 1.132 460 F CB 1.256 40.319 39.000 0.106 0.000 1.291 460 F HN 0.494 nan 8.300 nan 0.000 0.496 461 T N -1.261 113.540 114.554 0.411 0.000 2.910 461 T HA 0.441 4.791 4.350 -0.001 0.000 0.279 461 T C -0.456 174.518 174.700 0.456 0.000 0.989 461 T CA -0.504 61.821 62.100 0.375 0.000 0.968 461 T CB 0.685 69.848 68.868 0.493 0.000 1.135 461 T HN 0.603 nan 8.240 nan 0.000 0.562 462 H N 0.311 119.439 119.070 0.098 0.000 2.827 462 H HA -0.074 4.482 4.556 -0.001 0.000 0.330 462 H C 0.346 175.687 175.328 0.022 0.000 1.236 462 H CA 0.870 56.911 56.048 -0.011 0.000 1.165 462 H CB -1.631 28.021 29.762 -0.182 0.000 1.532 462 H HN 0.816 nan 8.280 nan 0.000 0.434 463 D N -1.031 119.421 120.400 0.087 0.000 2.340 463 D HA 0.063 4.702 4.640 -0.001 0.000 0.220 463 D C 0.844 177.243 176.300 0.165 0.000 1.039 463 D CA 0.771 54.870 54.000 0.165 0.000 0.866 463 D CB 0.379 41.153 40.800 -0.044 0.000 0.913 463 D HN 0.479 nan 8.370 nan 0.000 0.523 464 S N -0.640 115.084 115.700 0.039 0.000 2.752 464 S HA 0.330 4.799 4.470 -0.001 0.000 0.284 464 S C 1.170 175.728 174.600 -0.070 0.000 1.189 464 S CA -0.508 57.681 58.200 -0.018 0.000 0.835 464 S CB 0.121 63.270 63.200 -0.084 0.000 1.192 464 S HN 0.035 nan 8.310 nan 0.000 0.506 465 I N -0.811 119.689 120.570 -0.116 0.000 2.657 465 I HA 0.100 4.269 4.170 -0.001 0.000 0.261 465 I C 2.189 178.211 176.117 -0.159 0.000 1.212 465 I CA 1.376 62.578 61.300 -0.163 0.000 1.453 465 I CB -0.869 36.962 38.000 -0.282 0.000 1.092 465 I HN 0.655 nan 8.210 nan 0.000 0.452 466 A N 1.321 124.053 122.820 -0.145 0.000 2.131 466 A HA -0.063 4.256 4.320 -0.001 0.000 0.220 466 A C 2.382 179.901 177.584 -0.108 0.000 1.158 466 A CA 1.583 53.546 52.037 -0.123 0.000 0.665 466 A CB -0.953 17.975 19.000 -0.120 0.000 0.795 466 A HN 0.369 nan 8.150 nan 0.000 0.460 467 V N -0.917 118.936 119.914 -0.102 0.000 2.380 467 V HA -0.112 4.007 4.120 -0.001 0.000 0.251 467 V C 2.230 178.278 176.094 -0.077 0.000 1.063 467 V CA 1.982 64.233 62.300 -0.082 0.000 1.055 467 V CB -1.549 30.229 31.823 -0.074 0.000 0.657 467 V HN 1.137 nan 8.190 nan 0.000 0.455 468 G N -0.436 108.311 108.800 -0.088 0.000 2.779 468 G HA2 -0.388 3.572 3.960 -0.001 0.000 0.284 468 G HA3 -0.388 3.572 3.960 -0.001 0.000 0.284 468 G C 0.639 175.496 174.900 -0.072 0.000 1.326 468 G CA 0.459 45.512 45.100 -0.079 0.000 0.983 468 G HN 0.385 nan 8.290 nan 0.000 0.555 469 E N 1.251 121.413 120.200 -0.062 0.000 2.204 469 E HA 0.100 4.450 4.350 -0.001 0.000 0.194 469 E C 1.907 178.455 176.600 -0.085 0.000 0.989 469 E CA 1.112 57.476 56.400 -0.059 0.000 0.824 469 E CB -0.154 29.520 29.700 -0.044 0.000 0.756 469 E HN 0.472 nan 8.360 nan 0.000 0.477 470 D N 0.030 120.356 120.400 -0.123 0.000 2.311 470 D HA -0.007 4.632 4.640 -0.001 0.000 0.212 470 D C 1.022 177.219 176.300 -0.172 0.000 0.972 470 D CA 1.306 55.175 54.000 -0.219 0.000 0.887 470 D CB -0.200 40.385 40.800 -0.359 0.000 0.915 470 D HN 0.234 nan 8.370 nan 0.000 0.497 471 G N 0.110 108.859 108.800 -0.085 0.000 2.728 471 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.294 471 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.294 471 G C -1.942 172.963 174.900 0.007 0.000 1.342 471 G CA -0.165 44.914 45.100 -0.035 0.000 0.866 471 G HN -0.032 nan 8.290 nan 0.000 0.534 472 P HA -0.082 nan 4.420 nan 0.000 0.221 472 P C 1.905 179.207 177.300 0.003 0.000 1.150 472 P CA 2.697 65.818 63.100 0.035 0.000 0.800 472 P CB -0.334 31.391 31.700 0.040 0.000 0.787 473 T N -4.663 109.915 114.554 0.040 0.000 3.072 473 T HA -0.099 4.251 4.350 -0.001 0.000 0.266 473 T C 1.160 175.916 174.700 0.094 0.000 1.127 473 T CA 1.106 63.250 62.100 0.073 0.000 1.107 473 T CB -1.012 67.957 68.868 0.168 0.000 0.910 473 T HN 0.170 nan 8.240 nan 0.000 0.513 474 H N 0.369 119.384 119.070 -0.091 0.000 2.672 474 H HA 0.465 5.021 4.556 -0.001 0.000 0.277 474 H C -0.225 174.970 175.328 -0.223 0.000 1.074 474 H CA -0.561 55.360 56.048 -0.211 0.000 1.173 474 H CB 0.437 30.056 29.762 -0.237 0.000 1.558 474 H HN 0.517 nan 8.280 nan 0.000 0.539 475 E N 1.612 121.792 120.200 -0.033 0.000 2.113 475 E HA 0.266 4.616 4.350 -0.001 0.000 0.273 475 E C -2.585 174.002 176.600 -0.021 0.000 0.924 475 E CA -2.199 54.180 56.400 -0.036 0.000 0.764 475 E CB 1.810 31.498 29.700 -0.020 0.000 1.104 475 E HN 0.096 nan 8.360 nan 0.000 0.406 476 P HA 0.066 nan 4.420 nan 0.000 0.271 476 P C -0.124 177.181 177.300 0.009 0.000 1.218 476 P CA 0.031 63.087 63.100 -0.072 0.000 0.780 476 P CB 0.902 32.574 31.700 -0.046 0.000 0.901 477 I N 1.326 121.899 120.570 0.005 0.000 3.680 477 I HA 0.015 4.185 4.170 -0.001 0.000 0.261 477 I C 1.716 177.844 176.117 0.018 0.000 1.121 477 I CA 0.585 61.908 61.300 0.037 0.000 1.429 477 I CB -0.876 37.143 38.000 0.032 0.000 1.719 477 I HN 0.356 nan 8.210 nan 0.000 0.413 478 E N 1.381 121.564 120.200 -0.029 0.000 2.474 478 E HA -0.069 4.281 4.350 -0.001 0.000 0.194 478 E C 1.425 177.979 176.600 -0.076 0.000 1.041 478 E CA 0.498 56.875 56.400 -0.038 0.000 0.874 478 E CB 0.067 29.723 29.700 -0.073 0.000 0.914 478 E HN 0.333 nan 8.360 nan 0.000 0.498 479 Q N 1.092 120.770 119.800 -0.204 0.000 2.135 479 Q HA -0.015 4.325 4.340 -0.001 0.000 0.204 479 Q C 2.276 178.229 176.000 -0.078 0.000 0.981 479 Q CA 1.326 56.885 55.803 -0.407 0.000 0.856 479 Q CB -0.379 27.602 28.738 -1.261 0.000 0.902 479 Q HN 0.322 nan 8.270 nan 0.000 0.425 480 L N -0.560 120.769 121.223 0.178 0.000 1.994 480 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 480 L C 2.280 179.251 176.870 0.169 0.000 1.071 480 L CA 1.272 56.295 54.840 0.305 0.000 0.745 480 L CB -0.669 41.568 42.059 0.296 0.000 0.892 480 L HN 0.264 nan 8.230 nan 0.000 0.431 481 A N -0.296 122.602 122.820 0.130 0.000 1.933 481 A HA -0.142 4.178 4.320 -0.001 0.000 0.218 481 A C 2.452 180.092 177.584 0.094 0.000 1.175 481 A CA 1.593 53.709 52.037 0.133 0.000 0.628 481 A CB -0.674 18.446 19.000 0.200 0.000 0.814 481 A HN 0.425 nan 8.150 nan 0.000 0.444 482 A N -1.261 121.579 122.820 0.034 0.000 2.015 482 A HA 0.100 4.419 4.320 -0.001 0.000 0.219 482 A C 1.914 179.513 177.584 0.026 0.000 1.163 482 A CA 1.496 53.531 52.037 -0.003 0.000 0.646 482 A CB -0.272 18.686 19.000 -0.071 0.000 0.806 482 A HN 0.387 nan 8.150 nan 0.000 0.448 483 L N -1.035 120.228 121.223 0.067 0.000 2.253 483 L HA 0.173 4.512 4.340 -0.001 0.000 0.205 483 L C 2.347 179.277 176.870 0.100 0.000 1.078 483 L CA 1.188 56.087 54.840 0.099 0.000 0.805 483 L CB -0.904 41.259 42.059 0.174 0.000 0.963 483 L HN 0.300 nan 8.230 nan 0.000 0.459 484 R N -0.210 120.350 120.500 0.099 0.000 2.127 484 R HA -0.033 4.307 4.340 -0.001 0.000 0.238 484 R C 1.130 177.471 176.300 0.069 0.000 1.134 484 R CA 0.868 57.014 56.100 0.077 0.000 0.975 484 R CB -0.341 29.989 30.300 0.049 0.000 0.865 484 R HN 0.327 nan 8.270 nan 0.000 0.447 488 N N 0.250 118.994 118.700 0.073 0.000 2.754 488 N HA -0.118 4.622 4.740 -0.001 0.000 0.248 488 N C -1.122 174.443 175.510 0.092 0.000 1.093 488 N CA 0.640 53.737 53.050 0.079 0.000 0.699 488 N CB -0.332 38.205 38.487 0.082 0.000 1.016 488 N HN 0.216 nan 8.380 nan 0.000 0.552 489 V N 0.822 120.794 119.914 0.096 0.000 2.604 489 V HA 0.415 4.534 4.120 -0.001 0.000 0.305 489 V C 0.246 176.399 176.094 0.098 0.000 1.043 489 V CA -0.638 61.732 62.300 0.116 0.000 0.888 489 V CB 1.720 33.627 31.823 0.141 0.000 0.995 489 V HN 0.233 nan 8.190 nan 0.000 0.429 490 S N 3.232 118.984 115.700 0.087 0.000 2.508 490 S HA 0.696 5.165 4.470 -0.001 0.000 0.284 490 S C -0.714 173.929 174.600 0.072 0.000 1.192 490 S CA -0.417 57.822 58.200 0.066 0.000 1.070 490 S CB 1.171 64.395 63.200 0.040 0.000 1.004 490 S HN 0.513 nan 8.310 nan 0.000 0.493 491 V N 6.896 126.850 119.914 0.067 0.000 2.444 491 V HA 0.530 4.649 4.120 -0.001 0.000 0.294 491 V C -0.493 175.618 176.094 0.029 0.000 1.022 491 V CA -0.555 61.787 62.300 0.070 0.000 0.850 491 V CB 1.226 33.111 31.823 0.102 0.000 0.992 491 V HN 0.801 nan 8.190 nan 0.000 0.426 492 I N 5.057 125.622 120.570 -0.009 0.000 2.447 492 I HA 0.568 4.738 4.170 -0.001 0.000 0.287 492 I C -0.101 175.987 176.117 -0.049 0.000 1.023 492 I CA -0.607 60.679 61.300 -0.024 0.000 1.083 492 I CB 2.052 40.025 38.000 -0.046 0.000 1.245 492 I HN 0.518 nan 8.210 nan 0.000 0.434 493 R N 8.272 128.756 120.500 -0.026 0.000 2.402 493 R HA 0.409 4.749 4.340 -0.001 0.000 0.290 493 R C -2.668 173.620 176.300 -0.020 0.000 1.321 493 R CA -1.514 54.560 56.100 -0.043 0.000 1.283 493 R CB 1.211 31.496 30.300 -0.026 0.000 1.111 493 R HN 0.292 nan 8.270 nan 0.000 0.578 494 P HA 0.092 nan 4.420 nan 0.000 0.275 494 P C -0.171 177.125 177.300 -0.008 0.000 1.228 494 P CA 0.021 63.120 63.100 -0.001 0.000 0.786 494 P CB 1.730 33.428 31.700 -0.004 0.000 0.927 495 A N 1.982 124.809 122.820 0.012 0.000 2.132 495 A HA 0.103 4.423 4.320 -0.001 0.000 0.213 495 A C 0.606 178.180 177.584 -0.016 0.000 1.154 495 A CA 1.034 53.072 52.037 0.001 0.000 0.753 495 A CB -0.464 18.547 19.000 0.019 0.000 0.826 495 A HN 0.705 nan 8.150 nan 0.000 0.469 496 D N -4.880 115.505 120.400 -0.025 0.000 2.838 496 D HA 0.343 4.983 4.640 -0.001 0.000 0.334 496 D C 1.104 177.320 176.300 -0.141 0.000 1.315 496 D CA 0.161 54.118 54.000 -0.073 0.000 0.917 496 D CB 0.146 40.921 40.800 -0.043 0.000 1.435 496 D HN -0.044 nan 8.370 nan 0.000 0.517 497 G N -0.111 108.502 108.800 -0.311 0.000 2.491 497 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.218 497 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.218 497 G C 1.085 175.832 174.900 -0.255 0.000 1.180 497 G CA 1.378 46.086 45.100 -0.654 0.000 0.774 497 G HN 0.636 nan 8.290 nan 0.000 0.562 498 N N 0.233 118.911 118.700 -0.036 0.000 2.142 498 N HA -0.024 4.716 4.740 -0.001 0.000 0.186 498 N C 2.104 177.661 175.510 0.078 0.000 1.023 498 N CA 0.935 54.053 53.050 0.113 0.000 0.852 498 N CB -0.114 38.453 38.487 0.132 0.000 0.998 498 N HN 0.384 nan 8.380 nan 0.000 0.424 499 E N 0.315 120.545 120.200 0.050 0.000 2.209 499 E HA -0.175 4.174 4.350 -0.001 0.000 0.196 499 E C 1.884 178.521 176.600 0.061 0.000 0.993 499 E CA 1.282 57.717 56.400 0.058 0.000 0.819 499 E CB -0.056 29.684 29.700 0.067 0.000 0.745 499 E HN 0.449 nan 8.360 nan 0.000 0.477 500 S N -0.201 115.526 115.700 0.046 0.000 2.470 500 S HA -0.024 4.446 4.470 -0.001 0.000 0.225 500 S C 2.091 176.803 174.600 0.185 0.000 1.006 500 S CA 0.298 58.544 58.200 0.077 0.000 0.934 500 S CB 0.042 63.264 63.200 0.037 0.000 0.778 500 S HN 0.020 nan 8.310 nan 0.000 0.517 501 V N 2.356 122.379 119.914 0.181 0.000 2.358 501 V HA -0.025 4.095 4.120 -0.001 0.000 0.246 501 V C 3.174 179.407 176.094 0.233 0.000 1.047 501 V CA 1.593 64.029 62.300 0.227 0.000 1.035 501 V CB -1.431 30.504 31.823 0.187 0.000 0.658 501 V HN 0.655 nan 8.190 nan 0.000 0.452 502 A N 0.180 123.112 122.820 0.187 0.000 1.902 502 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 502 A C 2.451 180.164 177.584 0.214 0.000 1.181 502 A CA 2.017 54.190 52.037 0.225 0.000 0.623 502 A CB -0.807 18.280 19.000 0.145 0.000 0.818 502 A HN 0.554 nan 8.150 nan 0.000 0.443 503 A N -1.533 121.369 122.820 0.138 0.000 1.883 503 A HA -0.227 4.093 4.320 -0.001 0.000 0.217 503 A C 2.031 179.668 177.584 0.087 0.000 1.186 503 A CA 1.478 53.553 52.037 0.062 0.000 0.624 503 A CB -0.980 18.009 19.000 -0.019 0.000 0.822 503 A HN 0.768 nan 8.150 nan 0.000 0.444 504 W N -0.217 121.138 121.300 0.091 0.000 2.402 504 W HA -0.100 4.560 4.660 -0.001 0.000 0.286 504 W C 2.670 179.297 176.519 0.182 0.000 1.221 504 W CA 1.321 58.727 57.345 0.102 0.000 1.257 504 W CB 0.008 29.518 29.460 0.084 0.000 1.120 504 W HN 0.272 nan 8.180 nan 0.000 0.551 505 R N -0.203 120.598 120.500 0.502 0.000 2.092 505 R HA -0.141 4.199 4.340 -0.001 0.000 0.231 505 R C 1.995 178.564 176.300 0.448 0.000 1.119 505 R CA 1.383 57.803 56.100 0.534 0.000 0.970 505 R CB -0.818 29.708 30.300 0.377 0.000 0.864 505 R HN 0.285 nan 8.270 nan 0.000 0.440 506 L N -0.044 121.377 121.223 0.329 0.000 2.141 506 L HA -0.081 4.259 4.340 -0.001 0.000 0.209 506 L C 2.609 179.566 176.870 0.145 0.000 1.094 506 L CA 0.984 55.953 54.840 0.215 0.000 0.763 506 L CB -0.468 41.649 42.059 0.096 0.000 0.908 506 L HN 0.214 nan 8.230 nan 0.000 0.437 507 A N -0.006 122.878 122.820 0.106 0.000 1.872 507 A HA -0.172 4.147 4.320 -0.001 0.000 0.214 507 A C 2.198 179.855 177.584 0.122 0.000 1.187 507 A CA 1.304 53.352 52.037 0.018 0.000 0.614 507 A CB -0.660 18.206 19.000 -0.223 0.000 0.826 507 A HN 0.272 nan 8.150 nan 0.000 0.442 508 L N 0.075 121.449 121.223 0.252 0.000 2.131 508 L HA -0.126 4.214 4.340 -0.001 0.000 0.210 508 L C 2.056 178.988 176.870 0.104 0.000 1.092 508 L CA 2.052 57.002 54.840 0.183 0.000 0.759 508 L CB -0.408 41.683 42.059 0.053 0.000 0.903 508 L HN 0.501 nan 8.230 nan 0.000 0.435 509 E N -1.414 118.893 120.200 0.177 0.000 2.435 509 E HA -0.025 4.324 4.350 -0.001 0.000 0.195 509 E C 0.902 177.575 176.600 0.122 0.000 1.029 509 E CA 0.095 56.596 56.400 0.168 0.000 0.865 509 E CB 0.083 29.934 29.700 0.252 0.000 0.833 509 E HN 0.364 nan 8.360 nan 0.000 0.510 510 S N 0.149 115.911 115.700 0.104 0.000 2.568 510 S HA -0.008 4.462 4.470 -0.001 0.000 0.282 510 S C 1.190 175.835 174.600 0.075 0.000 1.338 510 S CA 0.571 58.819 58.200 0.080 0.000 1.045 510 S CB 0.826 64.061 63.200 0.058 0.000 0.873 510 S HN 0.306 nan 8.310 nan 0.000 0.516 511 T N -0.039 114.559 114.554 0.072 0.000 2.954 511 T HA 0.195 4.545 4.350 -0.001 0.000 0.252 511 T C 0.683 175.430 174.700 0.078 0.000 0.983 511 T CA 0.222 62.366 62.100 0.074 0.000 0.941 511 T CB -0.428 68.482 68.868 0.069 0.000 1.141 511 T HN 0.809 nan 8.240 nan 0.000 0.500 512 N N 0.926 119.670 118.700 0.073 0.000 2.232 512 N HA 0.186 4.926 4.740 -0.001 0.000 0.240 512 N C -0.455 175.103 175.510 0.080 0.000 1.307 512 N CA -0.713 52.385 53.050 0.080 0.000 0.859 512 N CB 0.808 39.336 38.487 0.068 0.000 1.260 512 N HN 0.469 nan 8.380 nan 0.000 0.501 513 K N 0.409 120.852 120.400 0.070 0.000 2.557 513 K HA 0.432 4.752 4.320 -0.001 0.000 0.261 513 K C -3.509 173.122 176.600 0.051 0.000 0.932 513 K CA -1.348 54.981 56.287 0.070 0.000 0.829 513 K CB 2.772 35.312 32.500 0.068 0.000 1.358 513 K HN -0.281 nan 8.250 nan 0.000 0.430 514 P HA 0.103 nan 4.420 nan 0.000 0.275 514 P C -0.843 176.472 177.300 0.024 0.000 1.228 514 P CA -0.068 63.039 63.100 0.012 0.000 0.786 514 P CB 0.855 32.621 31.700 0.109 0.000 0.927 515 T N 1.095 115.607 114.554 -0.070 0.000 2.840 515 T HA 0.551 4.901 4.350 -0.001 0.000 0.287 515 T C -0.317 174.344 174.700 -0.065 0.000 0.991 515 T CA -0.377 61.690 62.100 -0.056 0.000 0.964 515 T CB 1.270 70.072 68.868 -0.111 0.000 0.954 515 T HN 0.426 nan 8.240 nan 0.000 0.438 516 A N 4.269 127.127 122.820 0.063 0.000 2.249 516 A HA 0.696 5.015 4.320 -0.001 0.000 0.314 516 A C -0.143 177.395 177.584 -0.077 0.000 1.290 516 A CA -0.644 51.432 52.037 0.065 0.000 0.893 516 A CB 0.066 19.260 19.000 0.324 0.000 1.165 516 A HN 0.875 nan 8.150 nan 0.000 0.530 517 L N 3.406 124.491 121.223 -0.229 0.000 2.265 517 L HA 0.375 4.714 4.340 -0.001 0.000 0.288 517 L C -0.613 176.148 176.870 -0.182 0.000 1.058 517 L CA -0.603 54.087 54.840 -0.250 0.000 0.809 517 L CB 1.362 43.168 42.059 -0.422 0.000 1.179 517 L HN 0.393 nan 8.230 nan 0.000 0.429 518 V N 6.023 125.819 119.914 -0.196 0.000 2.328 518 V HA 0.440 4.560 4.120 -0.001 0.000 0.278 518 V C 0.091 176.068 176.094 -0.195 0.000 1.021 518 V CA -0.285 61.824 62.300 -0.318 0.000 0.838 518 V CB 1.433 32.951 31.823 -0.508 0.000 0.999 518 V HN 0.532 nan 8.190 nan 0.000 0.447 519 L N 4.102 125.249 121.223 -0.127 0.000 2.341 519 L HA 0.723 5.063 4.340 -0.001 0.000 0.267 519 L C 0.475 177.318 176.870 -0.046 0.000 1.009 519 L CA -0.624 54.184 54.840 -0.053 0.000 0.819 519 L CB 2.589 44.655 42.059 0.011 0.000 1.323 519 L HN 0.668 nan 8.230 nan 0.000 0.425 520 T N -2.605 111.910 114.554 -0.065 0.000 2.922 520 T HA 0.294 4.643 4.350 -0.001 0.000 0.285 520 T C 0.781 175.378 174.700 -0.172 0.000 1.005 520 T CA -0.643 61.393 62.100 -0.107 0.000 1.061 520 T CB 1.850 70.658 68.868 -0.099 0.000 1.007 520 T HN 0.732 nan 8.240 nan 0.000 0.502 521 R N 0.925 121.244 120.500 -0.302 0.000 2.115 521 R HA -0.010 4.330 4.340 -0.001 0.000 0.226 521 R C 0.938 177.120 176.300 -0.197 0.000 1.100 521 R CA 0.606 56.454 56.100 -0.421 0.000 0.980 521 R CB 0.035 29.982 30.300 -0.588 0.000 0.875 521 R HN 0.846 nan 8.270 nan 0.000 0.445 522 Q N 1.147 120.862 119.800 -0.143 0.000 2.215 522 Q HA 0.192 4.532 4.340 -0.001 0.000 0.256 522 Q C -1.248 174.711 176.000 -0.067 0.000 0.972 522 Q CA -0.665 55.084 55.803 -0.090 0.000 0.889 522 Q CB 1.222 29.912 28.738 -0.080 0.000 1.281 522 Q HN -0.059 nan 8.270 nan 0.000 0.456 523 D N 1.566 121.939 120.400 -0.045 0.000 2.424 523 D HA 0.285 4.924 4.640 -0.001 0.000 0.244 523 D C -0.329 175.948 176.300 -0.038 0.000 1.134 523 D CA 0.253 54.232 54.000 -0.035 0.000 0.881 523 D CB 0.519 41.310 40.800 -0.014 0.000 1.191 523 D HN 0.359 nan 8.370 nan 0.000 0.445 524 L N 3.583 124.778 121.223 -0.046 0.000 2.346 524 L HA 0.402 4.742 4.340 -0.001 0.000 0.276 524 L C -2.294 174.558 176.870 -0.030 0.000 1.006 524 L CA -2.202 52.614 54.840 -0.041 0.000 0.817 524 L CB 1.912 43.939 42.059 -0.054 0.000 1.272 524 L HN 0.103 nan 8.230 nan 0.000 0.421 525 P HA 0.063 nan 4.420 nan 0.000 0.271 525 P C -0.344 176.960 177.300 0.006 0.000 1.226 525 P CA -0.170 62.931 63.100 0.002 0.000 0.765 525 P CB 0.430 32.134 31.700 0.006 0.000 0.835 526 T N 4.435 119.003 114.554 0.024 0.000 2.902 526 T HA 0.118 4.468 4.350 -0.001 0.000 0.301 526 T C 0.576 175.301 174.700 0.040 0.000 1.012 526 T CA 0.275 62.398 62.100 0.039 0.000 1.151 526 T CB -0.251 68.669 68.868 0.086 0.000 0.946 526 T HN 0.186 nan 8.240 nan 0.000 0.542 527 L N 3.679 124.928 121.223 0.044 0.000 2.334 527 L HA 0.315 4.655 4.340 -0.001 0.000 0.277 527 L C 1.645 178.551 176.870 0.060 0.000 1.075 527 L CA -0.525 54.343 54.840 0.047 0.000 0.804 527 L CB 1.016 43.105 42.059 0.051 0.000 1.174 527 L HN 0.735 nan 8.230 nan 0.000 0.438 528 E N 2.328 122.559 120.200 0.052 0.000 2.072 528 E HA -0.102 4.248 4.350 -0.001 0.000 0.190 528 E C 1.880 178.523 176.600 0.070 0.000 0.982 528 E CA 1.046 57.478 56.400 0.054 0.000 0.803 528 E CB -0.032 29.692 29.700 0.040 0.000 0.755 528 E HN 0.982 nan 8.360 nan 0.000 0.453 529 G N 0.807 109.654 108.800 0.079 0.000 2.535 529 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.218 529 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.218 529 G C 1.370 176.393 174.900 0.206 0.000 1.122 529 G CA 0.727 45.897 45.100 0.118 0.000 0.769 529 G HN 0.313 nan 8.290 nan 0.000 0.549 530 A N -0.129 122.792 122.820 0.169 0.000 2.229 530 A HA 0.382 4.701 4.320 -0.001 0.000 0.211 530 A C 1.955 179.591 177.584 0.087 0.000 1.193 530 A CA 1.234 53.380 52.037 0.183 0.000 0.879 530 A CB 0.036 19.148 19.000 0.186 0.000 0.911 530 A HN 0.277 nan 8.150 nan 0.000 0.492 531 K N 1.046 121.492 120.400 0.078 0.000 2.097 531 K HA -0.074 4.246 4.320 -0.001 0.000 0.205 531 K C -0.476 176.148 176.600 0.040 0.000 1.050 531 K CA 1.303 57.627 56.287 0.062 0.000 0.938 531 K CB -0.025 32.511 32.500 0.059 0.000 0.718 531 K HN 0.311 nan 8.250 nan 0.000 0.442 532 D N 1.923 122.343 120.400 0.033 0.000 2.225 532 D HA 0.067 4.706 4.640 -0.001 0.000 0.248 532 D C -0.639 175.661 176.300 -0.001 0.000 1.096 532 D CA 0.137 54.148 54.000 0.018 0.000 0.863 532 D CB 1.027 41.841 40.800 0.023 0.000 1.156 532 D HN 0.203 nan 8.370 nan 0.000 0.450 533 D N 1.926 122.326 120.400 -0.000 0.000 2.708 533 D HA -0.152 4.488 4.640 -0.001 0.000 0.236 533 D C 0.784 177.058 176.300 -0.044 0.000 1.146 533 D CA 0.534 54.530 54.000 -0.006 0.000 0.662 533 D CB -0.940 39.854 40.800 -0.010 0.000 1.059 533 D HN 0.418 nan 8.370 nan 0.000 0.428 534 T N -0.927 113.614 114.554 -0.022 0.000 2.684 534 T HA -0.260 4.090 4.350 -0.001 0.000 0.267 534 T C 1.541 176.212 174.700 -0.049 0.000 1.036 534 T CA 1.505 63.571 62.100 -0.056 0.000 1.148 534 T CB -0.302 68.577 68.868 0.018 0.000 0.863 534 T HN 0.477 nan 8.240 nan 0.000 0.436 535 Y N 2.454 122.704 120.300 -0.084 0.000 2.128 535 Y HA -0.190 4.359 4.550 -0.001 0.000 0.284 535 Y C 2.429 178.277 175.900 -0.086 0.000 1.154 535 Y CA 1.547 59.607 58.100 -0.067 0.000 1.149 535 Y CB -0.226 38.201 38.460 -0.055 0.000 0.976 535 Y HN 0.099 nan 8.280 nan 0.000 0.505 536 E N 0.620 120.761 120.200 -0.099 0.000 2.106 536 E HA -0.177 4.173 4.350 -0.001 0.000 0.192 536 E C 2.033 178.480 176.600 -0.256 0.000 0.984 536 E CA 1.297 57.584 56.400 -0.189 0.000 0.806 536 E CB -0.263 29.401 29.700 -0.059 0.000 0.750 536 E HN 0.560 nan 8.360 nan 0.000 0.458 537 K N 0.526 120.737 120.400 -0.314 0.000 1.985 537 K HA -0.095 4.224 4.320 -0.001 0.000 0.210 537 K C 2.277 178.625 176.600 -0.420 0.000 1.047 537 K CA 1.427 57.368 56.287 -0.576 0.000 0.932 537 K CB -0.265 31.547 32.500 -1.146 0.000 0.716 537 K HN -0.072 nan 8.250 nan 0.000 0.439 538 V N 1.366 121.089 119.914 -0.318 0.000 2.490 538 V HA -0.242 3.878 4.120 -0.001 0.000 0.250 538 V C 2.268 178.275 176.094 -0.145 0.000 1.061 538 V CA 1.926 64.145 62.300 -0.135 0.000 1.064 538 V CB -0.746 31.035 31.823 -0.070 0.000 0.670 538 V HN 0.390 nan 8.190 nan 0.000 0.461 539 A N -0.492 122.156 122.820 -0.287 0.000 1.972 539 A HA -0.184 4.136 4.320 -0.001 0.000 0.219 539 A C 2.200 179.679 177.584 -0.174 0.000 1.169 539 A CA 1.415 53.274 52.037 -0.298 0.000 0.635 539 A CB -0.327 18.369 19.000 -0.507 0.000 0.810 539 A HN 0.411 nan 8.150 nan 0.000 0.446 540 K N -1.443 118.865 120.400 -0.153 0.000 2.432 540 K HA 0.069 4.389 4.320 -0.001 0.000 0.196 540 K C 1.564 178.249 176.600 0.141 0.000 1.038 540 K CA 0.879 57.099 56.287 -0.112 0.000 0.986 540 K CB -0.228 32.131 32.500 -0.235 0.000 0.782 540 K HN 0.721 nan 8.250 nan 0.000 0.485 541 G N 0.892 109.770 108.800 0.131 0.000 2.498 541 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.229 541 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.229 541 G C 0.190 175.186 174.900 0.160 0.000 1.156 541 G CA 0.232 45.438 45.100 0.176 0.000 0.680 541 G HN 0.642 nan 8.290 nan 0.000 0.512 542 A N -0.612 122.332 122.820 0.206 0.000 2.455 542 A HA 0.909 5.229 4.320 -0.001 0.000 0.300 542 A C -0.760 176.971 177.584 0.245 0.000 1.040 542 A CA 0.145 52.148 52.037 -0.057 0.000 0.697 542 A CB 1.306 19.808 19.000 -0.830 0.000 1.265 542 A HN 1.951 nan 8.150 nan 0.000 0.407 543 Y N -0.713 119.580 120.300 -0.010 0.000 2.655 543 Y HA 0.704 5.254 4.550 -0.001 0.000 0.336 543 Y C -0.937 174.952 175.900 -0.018 0.000 1.154 543 Y CA -1.805 56.333 58.100 0.064 0.000 1.055 543 Y CB 0.729 39.261 38.460 0.121 0.000 1.295 543 Y HN 0.386 nan 8.280 nan 0.000 0.465 544 V N 2.837 122.731 119.914 -0.033 0.000 2.387 544 V HA 0.074 4.194 4.120 -0.001 0.000 0.260 544 V C 0.800 176.815 176.094 -0.131 0.000 1.054 544 V CA 0.147 62.371 62.300 -0.126 0.000 0.967 544 V CB 0.509 32.318 31.823 -0.024 0.000 1.036 544 V HN 0.881 nan 8.190 nan 0.000 0.481 545 V N 4.200 123.923 119.914 -0.319 0.000 3.052 545 V HA 0.223 4.343 4.120 -0.001 0.000 0.254 545 V C 0.950 177.020 176.094 -0.039 0.000 1.100 545 V CA 1.353 63.541 62.300 -0.187 0.000 1.112 545 V CB 0.931 32.569 31.823 -0.309 0.000 0.738 545 V HN 0.771 nan 8.190 nan 0.000 0.469 546 S N 0.232 115.896 115.700 -0.060 0.000 2.680 546 S HA 0.717 5.186 4.470 -0.001 0.000 0.262 546 S C -0.290 174.293 174.600 -0.028 0.000 1.138 546 S CA -0.085 58.100 58.200 -0.026 0.000 1.072 546 S CB 0.904 64.086 63.200 -0.030 0.000 1.097 546 S HN 0.744 nan 8.310 nan 0.000 0.468 547 A N 3.412 126.227 122.820 -0.010 0.000 2.407 547 A HA 0.625 4.944 4.320 -0.001 0.000 0.248 547 A C 0.910 178.486 177.584 -0.013 0.000 1.082 547 A CA -0.079 51.952 52.037 -0.010 0.000 0.785 547 A CB 0.007 19.009 19.000 0.003 0.000 1.020 547 A HN 1.305 nan 8.150 nan 0.000 0.489 548 S N 1.340 117.031 115.700 -0.016 0.000 2.592 548 S HA 0.114 4.584 4.470 -0.001 0.000 0.256 548 S C 0.867 175.462 174.600 -0.008 0.000 1.369 548 S CA 0.286 58.478 58.200 -0.014 0.000 0.984 548 S CB 0.342 63.533 63.200 -0.014 0.000 0.919 548 S HN 0.629 nan 8.310 nan 0.000 0.576 549 K N 0.396 120.791 120.400 -0.008 0.000 2.076 549 K HA 0.256 4.576 4.320 -0.001 0.000 0.204 549 K C 0.544 177.143 176.600 -0.003 0.000 1.051 549 K CA 1.242 57.526 56.287 -0.005 0.000 0.949 549 K CB -0.287 32.209 32.500 -0.007 0.000 0.726 549 K HN 0.596 nan 8.250 nan 0.000 0.443 550 K N 0.213 120.611 120.400 -0.004 0.000 2.132 550 K HA 0.136 4.455 4.320 -0.001 0.000 0.241 550 K C 0.846 177.446 176.600 -0.001 0.000 1.000 550 K CA -0.488 55.798 56.287 -0.002 0.000 0.911 550 K CB 0.859 33.357 32.500 -0.003 0.000 1.093 550 K HN -0.191 nan 8.250 nan 0.000 0.460 551 E N 0.369 120.569 120.200 0.001 0.000 2.268 551 E HA -0.056 4.294 4.350 -0.001 0.000 0.195 551 E C -0.169 176.431 176.600 -0.000 0.000 0.995 551 E CA 1.022 57.423 56.400 0.001 0.000 0.836 551 E CB 0.084 29.786 29.700 0.003 0.000 0.763 551 E HN 0.478 nan 8.360 nan 0.000 0.491 552 T N 1.052 115.605 114.554 -0.001 0.000 2.821 552 T HA 0.575 4.925 4.350 -0.001 0.000 0.307 552 T C -0.144 174.554 174.700 -0.003 0.000 1.034 552 T CA -0.472 61.628 62.100 -0.000 0.000 0.953 552 T CB 1.576 70.445 68.868 0.002 0.000 0.968 552 T HN 0.059 nan 8.240 nan 0.000 0.462 553 A N 2.515 125.333 122.820 -0.004 0.000 2.407 553 A HA 0.336 4.656 4.320 -0.001 0.000 0.248 553 A C 1.178 178.759 177.584 -0.006 0.000 1.082 553 A CA -0.490 51.543 52.037 -0.008 0.000 0.785 553 A CB 0.226 19.219 19.000 -0.010 0.000 1.020 553 A HN 0.782 nan 8.150 nan 0.000 0.489 554 D N -0.226 120.167 120.400 -0.011 0.000 2.144 554 D HA 0.009 4.649 4.640 -0.001 0.000 0.200 554 D C 0.505 176.800 176.300 -0.009 0.000 0.978 554 D CA 1.765 55.758 54.000 -0.012 0.000 0.833 554 D CB 0.117 40.905 40.800 -0.019 0.000 0.961 554 D HN 0.274 nan 8.370 nan 0.000 0.470 555 V N 0.105 120.011 119.914 -0.012 0.000 3.087 555 V HA 0.364 4.484 4.120 -0.001 0.000 0.306 555 V C -1.595 174.498 176.094 -0.001 0.000 1.187 555 V CA -0.884 61.414 62.300 -0.003 0.000 0.999 555 V CB 2.589 34.403 31.823 -0.015 0.000 1.049 555 V HN -0.147 nan 8.190 nan 0.000 0.431 556 I N 5.800 126.379 120.570 0.016 0.000 2.339 556 I HA 0.412 4.581 4.170 -0.001 0.000 0.290 556 I C -0.521 175.610 176.117 0.024 0.000 0.994 556 I CA -0.474 60.830 61.300 0.006 0.000 1.191 556 I CB 1.482 39.485 38.000 0.006 0.000 1.343 556 I HN 0.377 nan 8.210 nan 0.000 0.458 557 L N 7.148 128.373 121.223 0.003 0.000 2.281 557 L HA 0.376 4.716 4.340 -0.001 0.000 0.285 557 L C -0.653 176.189 176.870 -0.047 0.000 1.074 557 L CA -0.609 54.242 54.840 0.018 0.000 0.817 557 L CB 0.530 42.595 42.059 0.011 0.000 1.168 557 L HN 0.377 nan 8.230 nan 0.000 0.434 558 L N 3.765 124.940 121.223 -0.080 0.000 2.295 558 L HA 0.807 5.147 4.340 -0.001 0.000 0.285 558 L C 0.191 176.935 176.870 -0.211 0.000 1.035 558 L CA 0.260 55.018 54.840 -0.137 0.000 0.806 558 L CB 1.626 43.626 42.059 -0.098 0.000 1.214 558 L HN 0.765 nan 8.230 nan 0.000 0.426 559 A N 1.255 123.985 122.820 -0.150 0.000 2.593 559 A HA 0.937 5.257 4.320 -0.001 0.000 0.290 559 A C -0.612 176.952 177.584 -0.034 0.000 1.126 559 A CA -0.152 51.805 52.037 -0.134 0.000 0.695 559 A CB 1.905 20.853 19.000 -0.087 0.000 1.290 559 A HN 0.625 nan 8.150 nan 0.000 0.414 560 T N -2.435 112.125 114.554 0.011 0.000 2.883 560 T HA 0.723 5.073 4.350 -0.001 0.000 0.296 560 T C 0.928 175.638 174.700 0.017 0.000 1.117 560 T CA 0.637 62.769 62.100 0.053 0.000 1.006 560 T CB 0.967 69.928 68.868 0.155 0.000 1.191 560 T HN 2.660 nan 8.240 nan 0.000 0.508 561 G N 2.077 110.883 108.800 0.011 0.000 2.684 561 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.332 561 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.332 561 G C 1.331 176.215 174.900 -0.027 0.000 1.306 561 G CA 2.053 47.145 45.100 -0.014 0.000 1.002 561 G HN 2.118 nan 8.290 nan 0.000 0.545 562 S N -0.055 115.618 115.700 -0.045 0.000 2.507 562 S HA 0.064 4.534 4.470 -0.001 0.000 0.235 562 S C 1.670 176.246 174.600 -0.041 0.000 0.988 562 S CA 2.004 60.172 58.200 -0.052 0.000 0.944 562 S CB 0.128 63.283 63.200 -0.076 0.000 0.762 562 S HN 0.591 nan 8.310 nan 0.000 0.526 563 E N 0.907 121.085 120.200 -0.036 0.000 2.474 563 E HA 0.202 4.551 4.350 -0.001 0.000 0.194 563 E C 1.757 178.354 176.600 -0.005 0.000 1.041 563 E CA 0.069 56.464 56.400 -0.008 0.000 0.874 563 E CB -0.215 29.483 29.700 -0.003 0.000 0.914 563 E HN 0.395 nan 8.360 nan 0.000 0.498 564 V N 0.908 120.809 119.914 -0.021 0.000 2.295 564 V HA -0.290 3.830 4.120 -0.001 0.000 0.246 564 V C 2.292 178.375 176.094 -0.020 0.000 1.049 564 V CA 1.988 64.269 62.300 -0.032 0.000 1.024 564 V CB -0.901 30.897 31.823 -0.042 0.000 0.648 564 V HN 0.396 nan 8.190 nan 0.000 0.447 565 S N 1.028 116.721 115.700 -0.011 0.000 2.353 565 S HA -0.276 4.194 4.470 -0.001 0.000 0.222 565 S C 2.001 176.603 174.600 0.003 0.000 1.035 565 S CA 1.813 60.011 58.200 -0.004 0.000 1.025 565 S CB -0.922 62.277 63.200 -0.002 0.000 0.902 565 S HN 0.386 nan 8.310 nan 0.000 0.440 566 L N 2.686 123.918 121.223 0.016 0.000 1.997 566 L HA -0.092 4.248 4.340 -0.001 0.000 0.216 566 L C 2.700 179.581 176.870 0.019 0.000 1.074 566 L CA 2.116 56.975 54.840 0.033 0.000 0.763 566 L CB -1.460 40.645 42.059 0.078 0.000 0.890 566 L HN 0.396 nan 8.230 nan 0.000 0.434 567 A N -1.510 121.317 122.820 0.011 0.000 1.972 567 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 567 A C 2.262 179.834 177.584 -0.019 0.000 1.169 567 A CA 1.908 53.943 52.037 -0.003 0.000 0.635 567 A CB -0.999 17.990 19.000 -0.018 0.000 0.810 567 A HN 0.365 nan 8.150 nan 0.000 0.446 568 V N -0.157 119.746 119.914 -0.019 0.000 2.453 568 V HA -0.207 3.913 4.120 -0.001 0.000 0.247 568 V C 2.346 178.430 176.094 -0.017 0.000 1.048 568 V CA 2.059 64.347 62.300 -0.021 0.000 1.049 568 V CB -0.685 31.128 31.823 -0.017 0.000 0.672 568 V HN 0.639 nan 8.190 nan 0.000 0.457 569 E N 0.649 120.843 120.200 -0.011 0.000 2.047 569 E HA -0.175 4.174 4.350 -0.001 0.000 0.191 569 E C 2.375 178.962 176.600 -0.022 0.000 0.987 569 E CA 1.256 57.649 56.400 -0.012 0.000 0.799 569 E CB -0.412 29.285 29.700 -0.005 0.000 0.752 569 E HN 0.553 nan 8.360 nan 0.000 0.449 570 A N 1.588 124.393 122.820 -0.025 0.000 1.958 570 A HA -0.352 3.968 4.320 -0.001 0.000 0.221 570 A C 2.160 179.713 177.584 -0.052 0.000 1.178 570 A CA 2.103 54.113 52.037 -0.046 0.000 0.642 570 A CB -0.706 18.261 19.000 -0.055 0.000 0.816 570 A HN 0.321 nan 8.150 nan 0.000 0.453 571 Q N -0.203 119.572 119.800 -0.041 0.000 2.079 571 Q HA -0.201 4.139 4.340 -0.001 0.000 0.200 571 Q C 1.900 177.878 176.000 -0.036 0.000 0.974 571 Q CA 1.704 57.482 55.803 -0.042 0.000 0.840 571 Q CB -0.141 28.576 28.738 -0.035 0.000 0.898 571 Q HN 0.737 nan 8.270 nan 0.000 0.430 572 K N 0.325 120.708 120.400 -0.028 0.000 2.002 572 K HA -0.098 4.222 4.320 -0.001 0.000 0.209 572 K C 2.223 178.806 176.600 -0.029 0.000 1.048 572 K CA 1.174 57.446 56.287 -0.024 0.000 0.930 572 K CB -0.372 32.118 32.500 -0.017 0.000 0.714 572 K HN 0.231 nan 8.250 nan 0.000 0.438 573 A N 1.968 124.769 122.820 -0.033 0.000 1.948 573 A HA -0.154 4.165 4.320 -0.001 0.000 0.220 573 A C 2.238 179.795 177.584 -0.044 0.000 1.177 573 A CA 1.435 53.450 52.037 -0.037 0.000 0.636 573 A CB -0.758 18.217 19.000 -0.041 0.000 0.815 573 A HN 0.192 nan 8.150 nan 0.000 0.449 574 L N -1.122 120.069 121.223 -0.053 0.000 2.156 574 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 574 L C 3.045 179.888 176.870 -0.045 0.000 1.095 574 L CA 0.744 55.549 54.840 -0.059 0.000 0.770 574 L CB -0.473 41.542 42.059 -0.074 0.000 0.914 574 L HN 0.436 nan 8.230 nan 0.000 0.439 575 A N -0.058 122.740 122.820 -0.037 0.000 1.902 575 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 575 A C 2.324 179.893 177.584 -0.026 0.000 1.181 575 A CA 1.777 53.797 52.037 -0.029 0.000 0.623 575 A CB -0.853 18.134 19.000 -0.023 0.000 0.818 575 A HN 0.179 nan 8.150 nan 0.000 0.443 576 V N 0.815 120.713 119.914 -0.026 0.000 2.380 576 V HA -0.236 3.883 4.120 -0.001 0.000 0.251 576 V C 1.287 177.366 176.094 -0.025 0.000 1.063 576 V CA 2.234 64.521 62.300 -0.023 0.000 1.055 576 V CB -0.668 31.141 31.823 -0.023 0.000 0.657 576 V HN 0.516 nan 8.190 nan 0.000 0.455 577 D N -0.406 119.976 120.400 -0.031 0.000 2.336 577 D HA 0.264 4.904 4.640 -0.001 0.000 0.228 577 D C 1.605 177.887 176.300 -0.031 0.000 1.120 577 D CA 0.938 54.919 54.000 -0.032 0.000 0.839 577 D CB 0.396 41.172 40.800 -0.040 0.000 0.932 577 D HN 0.537 nan 8.370 nan 0.000 0.509 578 G N 0.425 109.208 108.800 -0.028 0.000 2.143 578 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.248 578 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.248 578 G C 0.296 175.179 174.900 -0.028 0.000 0.991 578 G CA 0.042 45.127 45.100 -0.025 0.000 0.689 578 G HN 0.294 nan 8.290 nan 0.000 0.522 579 V N 0.695 120.589 119.914 -0.035 0.000 2.398 579 V HA 0.534 4.654 4.120 -0.001 0.000 0.286 579 V C -0.214 175.858 176.094 -0.036 0.000 1.026 579 V CA -0.396 61.881 62.300 -0.039 0.000 0.868 579 V CB 1.854 33.645 31.823 -0.054 0.000 0.982 579 V HN 0.314 nan 8.190 nan 0.000 0.443 580 D N 4.383 124.765 120.400 -0.030 0.000 2.473 580 D HA 0.554 5.194 4.640 -0.001 0.000 0.226 580 D C 0.054 176.338 176.300 -0.027 0.000 1.089 580 D CA -0.056 53.929 54.000 -0.026 0.000 0.883 580 D CB 1.157 41.946 40.800 -0.019 0.000 1.029 580 D HN 0.718 nan 8.370 nan 0.000 0.517 581 A N 2.695 125.495 122.820 -0.032 0.000 2.310 581 A HA 0.619 4.939 4.320 -0.001 0.000 0.299 581 A C 0.259 177.825 177.584 -0.030 0.000 1.147 581 A CA -0.626 51.391 52.037 -0.033 0.000 0.818 581 A CB 0.672 19.646 19.000 -0.044 0.000 1.096 581 A HN 0.563 nan 8.150 nan 0.000 0.495 582 S N 0.701 116.383 115.700 -0.030 0.000 2.617 582 S HA 0.658 5.128 4.470 -0.001 0.000 0.283 582 S C -0.399 174.170 174.600 -0.051 0.000 1.189 582 S CA -0.673 57.505 58.200 -0.038 0.000 1.036 582 S CB 1.407 64.585 63.200 -0.036 0.000 1.014 582 S HN 0.697 nan 8.310 nan 0.000 0.522 583 V N 2.298 122.171 119.914 -0.068 0.000 2.370 583 V HA 0.416 4.536 4.120 -0.001 0.000 0.283 583 V C -0.360 175.641 176.094 -0.156 0.000 1.023 583 V CA -0.764 61.479 62.300 -0.095 0.000 0.857 583 V CB 1.320 33.093 31.823 -0.085 0.000 0.985 583 V HN 0.805 nan 8.190 nan 0.000 0.443 584 V N 4.148 123.955 119.914 -0.178 0.000 2.394 584 V HA 0.423 4.542 4.120 -0.001 0.000 0.282 584 V C 0.533 176.442 176.094 -0.309 0.000 1.031 584 V CA 0.125 62.264 62.300 -0.267 0.000 0.881 584 V CB 1.698 33.377 31.823 -0.240 0.000 0.982 584 V HN 0.954 nan 8.190 nan 0.000 0.451 591 R N 0.018 120.574 120.500 0.094 0.000 2.092 591 R HA 0.065 4.405 4.340 -0.001 0.000 0.231 591 R C 2.234 178.608 176.300 0.124 0.000 1.119 591 R CA 1.395 57.541 56.100 0.077 0.000 0.970 591 R CB -0.396 29.934 30.300 0.050 0.000 0.864 591 R HN 0.119 nan 8.270 nan 0.000 0.440 592 F N 2.541 122.513 119.950 0.036 0.000 2.102 592 F HA -0.144 4.383 4.527 -0.001 0.000 0.298 592 F C 2.127 177.992 175.800 0.108 0.000 1.105 592 F CA 1.437 59.485 58.000 0.079 0.000 1.239 592 F CB -0.111 38.920 39.000 0.050 0.000 0.991 592 F HN -0.127 nan 8.300 nan 0.000 0.474 593 E N 0.338 120.560 120.200 0.036 0.000 2.219 593 E HA -0.182 4.168 4.350 -0.001 0.000 0.198 593 E C 2.148 178.700 176.600 -0.080 0.000 0.998 593 E CA 1.084 57.459 56.400 -0.042 0.000 0.818 593 E CB -0.651 29.090 29.700 0.068 0.000 0.741 593 E HN 0.477 nan 8.360 nan 0.000 0.477 594 A N 0.799 123.589 122.820 -0.050 0.000 2.218 594 A HA -0.024 4.296 4.320 -0.001 0.000 0.209 594 A C 1.090 178.631 177.584 -0.072 0.000 1.168 594 A CA 0.051 52.062 52.037 -0.043 0.000 0.804 594 A CB 0.142 19.133 19.000 -0.016 0.000 0.834 594 A HN 0.013 nan 8.150 nan 0.000 0.482 595 Q N 0.655 120.382 119.800 -0.122 0.000 2.407 595 Q HA 0.272 4.611 4.340 -0.001 0.000 0.214 595 Q C 0.442 176.399 176.000 -0.072 0.000 1.043 595 Q CA 0.444 56.180 55.803 -0.112 0.000 0.983 595 Q CB -0.008 28.666 28.738 -0.107 0.000 1.211 595 Q HN 0.455 nan 8.270 nan 0.000 0.564 596 T N -3.143 111.412 114.554 0.003 0.000 2.904 596 T HA 0.437 4.787 4.350 -0.001 0.000 0.290 596 T C 1.241 175.956 174.700 0.025 0.000 1.018 596 T CA -0.174 61.937 62.100 0.019 0.000 1.075 596 T CB 1.032 69.929 68.868 0.048 0.000 0.986 596 T HN 0.537 nan 8.240 nan 0.000 0.523 597 A N 1.146 123.970 122.820 0.006 0.000 1.927 597 A HA -0.196 4.124 4.320 -0.001 0.000 0.220 597 A C 2.277 179.876 177.584 0.026 0.000 1.185 597 A CA 2.241 54.280 52.037 0.004 0.000 0.639 597 A CB -1.176 17.827 19.000 0.006 0.000 0.820 597 A HN 1.064 nan 8.150 nan 0.000 0.451 598 E N -1.925 118.303 120.200 0.046 0.000 2.072 598 E HA -0.237 4.112 4.350 -0.001 0.000 0.191 598 E C 1.882 178.527 176.600 0.075 0.000 0.985 598 E CA 1.365 57.798 56.400 0.055 0.000 0.801 598 E CB -0.366 29.369 29.700 0.059 0.000 0.750 598 E HN 0.712 nan 8.360 nan 0.000 0.452 599 Y N 1.475 121.785 120.300 0.016 0.000 2.145 599 Y HA -0.185 4.365 4.550 -0.001 0.000 0.286 599 Y C 2.016 177.973 175.900 0.095 0.000 1.145 599 Y CA 2.016 60.146 58.100 0.049 0.000 1.148 599 Y CB 0.001 38.483 38.460 0.037 0.000 0.981 599 Y HN -0.084 nan 8.280 nan 0.000 0.507 600 K N -0.159 120.263 120.400 0.037 0.000 2.020 600 K HA -0.288 4.032 4.320 -0.001 0.000 0.212 600 K C 2.025 178.668 176.600 0.073 0.000 1.050 600 K CA 1.879 58.181 56.287 0.026 0.000 0.929 600 K CB -0.349 32.066 32.500 -0.142 0.000 0.714 600 K HN 0.246 nan 8.250 nan 0.000 0.443 601 E N 1.277 121.490 120.200 0.023 0.000 2.219 601 E HA -0.185 4.165 4.350 -0.001 0.000 0.198 601 E C 1.745 178.335 176.600 -0.017 0.000 0.998 601 E CA 1.926 58.339 56.400 0.022 0.000 0.818 601 E CB -0.172 29.540 29.700 0.018 0.000 0.741 601 E HN 0.268 nan 8.360 nan 0.000 0.477 602 S N -1.477 114.168 115.700 -0.092 0.000 2.489 602 S HA 0.010 4.479 4.470 -0.001 0.000 0.228 602 S C 1.732 176.243 174.600 -0.149 0.000 0.995 602 S CA 0.772 58.897 58.200 -0.126 0.000 0.934 602 S CB 0.188 63.281 63.200 -0.179 0.000 0.771 602 S HN 0.135 nan 8.310 nan 0.000 0.522 603 V N 0.535 120.358 119.914 -0.152 0.000 3.212 603 V HA 0.418 4.538 4.120 -0.001 0.000 0.244 603 V C 0.642 176.719 176.094 -0.029 0.000 1.151 603 V CA 0.477 62.710 62.300 -0.111 0.000 1.119 603 V CB -0.061 31.680 31.823 -0.137 0.000 0.838 603 V HN 0.446 nan 8.190 nan 0.000 0.470 604 L N 2.073 123.333 121.223 0.060 0.000 2.495 604 L HA 0.396 4.736 4.340 -0.001 0.000 0.248 604 L C -2.684 174.234 176.870 0.080 0.000 1.229 604 L CA -1.494 53.398 54.840 0.087 0.000 0.942 604 L CB 1.227 43.397 42.059 0.185 0.000 1.242 604 L HN 0.116 nan 8.230 nan 0.000 0.484 605 P HA -0.057 nan 4.420 nan 0.000 0.257 605 P C 0.801 178.126 177.300 0.042 0.000 1.189 605 P CA 0.146 63.265 63.100 0.032 0.000 0.780 605 P CB 0.461 32.172 31.700 0.018 0.000 0.772 606 K N 3.477 123.902 120.400 0.043 0.000 2.218 606 K HA -0.212 4.108 4.320 -0.001 0.000 0.205 606 K C 1.417 178.038 176.600 0.035 0.000 1.046 606 K CA 1.827 58.140 56.287 0.043 0.000 0.933 606 K CB -0.596 31.926 32.500 0.036 0.000 0.728 606 K HN 0.321 nan 8.250 nan 0.000 0.454 607 A N 1.416 124.253 122.820 0.028 0.000 2.123 607 A HA 0.129 4.448 4.320 -0.001 0.000 0.214 607 A C 0.859 178.457 177.584 0.024 0.000 1.152 607 A CA 0.167 52.218 52.037 0.023 0.000 0.728 607 A CB 0.193 19.203 19.000 0.017 0.000 0.814 607 A HN 0.115 nan 8.150 nan 0.000 0.464 608 V N 2.240 122.170 119.914 0.027 0.000 2.322 608 V HA 0.112 4.232 4.120 -0.001 0.000 0.258 608 V C 1.284 177.401 176.094 0.038 0.000 1.074 608 V CA 0.661 62.977 62.300 0.028 0.000 0.909 608 V CB 0.092 31.930 31.823 0.024 0.000 1.090 608 V HN 0.588 nan 8.190 nan 0.000 0.486 609 T N 0.878 115.454 114.554 0.036 0.000 3.100 609 T HA 0.132 4.482 4.350 -0.001 0.000 0.253 609 T C 0.712 175.443 174.700 0.050 0.000 1.118 609 T CA -0.060 62.067 62.100 0.044 0.000 1.058 609 T CB 0.072 68.962 68.868 0.037 0.000 0.953 609 T HN 0.364 nan 8.240 nan 0.000 0.515 610 K N 2.675 123.102 120.400 0.045 0.000 2.231 610 K HA 0.440 4.760 4.320 -0.001 0.000 0.275 610 K C -0.387 176.253 176.600 0.068 0.000 1.105 610 K CA 0.021 56.340 56.287 0.053 0.000 0.931 610 K CB 0.942 33.462 32.500 0.033 0.000 1.296 610 K HN 0.387 nan 8.250 nan 0.000 0.446 611 R N 1.652 122.208 120.500 0.093 0.000 2.621 611 R HA 0.443 4.783 4.340 -0.001 0.000 0.284 611 R C -1.202 175.184 176.300 0.143 0.000 0.998 611 R CA -0.731 55.429 56.100 0.101 0.000 0.895 611 R CB 1.654 32.006 30.300 0.087 0.000 1.195 611 R HN 0.330 nan 8.270 nan 0.000 0.450 612 F N 1.879 121.793 119.950 -0.059 0.000 2.577 612 F HA 0.596 5.123 4.527 -0.000 0.000 0.344 612 F C -0.775 174.923 175.800 -0.170 0.000 1.145 612 F CA -0.476 57.464 58.000 -0.100 0.000 0.996 612 F CB 1.348 40.293 39.000 -0.091 0.000 1.248 612 F HN 0.673 nan 8.300 nan 0.000 0.447 613 A N 6.651 129.138 122.820 -0.555 0.000 2.327 613 A HA 0.793 5.112 4.320 -0.001 0.000 0.283 613 A C -0.822 176.298 177.584 -0.772 0.000 1.127 613 A CA -0.446 51.165 52.037 -0.709 0.000 0.810 613 A CB 0.466 18.838 19.000 -1.047 0.000 1.066 613 A HN 0.715 nan 8.150 nan 0.000 0.492 614 I N 1.411 121.631 120.570 -0.584 0.000 2.468 614 I HA 0.507 4.676 4.170 -0.001 0.000 0.285 614 I C -0.189 175.794 176.117 -0.223 0.000 1.039 614 I CA 0.035 61.178 61.300 -0.261 0.000 1.074 614 I CB 1.735 39.738 38.000 0.005 0.000 1.228 614 I HN 0.938 nan 8.210 nan 0.000 0.436 618 A N -0.348 122.576 122.820 0.173 0.000 2.561 618 A HA 0.453 4.773 4.320 -0.001 0.000 0.234 618 A C 1.839 179.607 177.584 0.308 0.000 1.055 618 A CA 1.350 53.502 52.037 0.193 0.000 0.756 618 A CB -0.047 19.047 19.000 0.157 0.000 0.986 618 A HN 1.995 nan 8.150 nan 0.000 0.505 619 T N 0.524 115.251 114.554 0.289 0.000 3.035 619 T HA -0.047 4.302 4.350 -0.001 0.000 0.268 619 T C 0.497 175.465 174.700 0.446 0.000 1.109 619 T CA 0.579 62.890 62.100 0.351 0.000 1.119 619 T CB -0.534 68.479 68.868 0.243 0.000 0.900 619 T HN 0.437 nan 8.240 nan 0.000 0.503 620 F N 2.786 122.875 119.950 0.231 0.000 2.569 620 F HA 0.344 4.870 4.527 -0.001 0.000 0.395 620 F C 1.558 177.420 175.800 0.105 0.000 1.028 620 F CA 1.265 59.364 58.000 0.165 0.000 1.158 620 F CB -0.209 38.841 39.000 0.083 0.000 1.023 620 F HN 0.415 nan 8.300 nan 0.000 0.547 621 G N 4.297 112.942 108.800 -0.259 0.000 2.259 621 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.217 621 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.217 621 G C 0.787 175.544 174.900 -0.239 0.000 1.001 621 G CA 0.156 45.097 45.100 -0.265 0.000 0.627 621 G HN 0.731 nan 8.290 nan 0.000 0.501 622 W N 0.832 122.090 121.300 -0.070 0.000 2.595 622 W HA 0.291 4.950 4.660 -0.000 0.000 0.257 622 W C 2.222 178.581 176.519 -0.267 0.000 1.267 622 W CA 1.244 58.511 57.345 -0.131 0.000 1.300 622 W CB -0.019 29.305 29.460 -0.227 0.000 1.120 622 W HN 0.499 nan 8.180 nan 0.000 0.618 623 H N -0.933 118.179 119.070 0.069 0.000 2.524 623 H HA -0.028 4.527 4.556 -0.001 0.000 0.282 623 H C 1.949 177.218 175.328 -0.098 0.000 1.016 623 H CA 1.272 57.321 56.048 0.002 0.000 1.270 623 H CB -0.161 29.574 29.762 -0.044 0.000 1.394 623 H HN -0.077 nan 8.280 nan 0.000 0.568 624 R N 0.481 120.875 120.500 -0.177 0.000 2.117 624 R HA -0.194 4.146 4.340 -0.001 0.000 0.243 624 R C 0.835 176.829 176.300 -0.508 0.000 1.143 624 R CA 1.754 57.593 56.100 -0.436 0.000 0.968 624 R CB -0.437 29.416 30.300 -0.746 0.000 0.863 624 R HN 0.380 nan 8.270 nan 0.000 0.444 625 Y N -1.407 118.942 120.300 0.081 0.000 2.479 625 Y HA 0.109 4.659 4.550 -0.001 0.000 0.283 625 Y C 2.031 177.991 175.900 0.099 0.000 1.109 625 Y CA 0.574 58.746 58.100 0.120 0.000 1.239 625 Y CB -0.029 38.539 38.460 0.180 0.000 1.108 625 Y HN 0.050 nan 8.280 nan 0.000 0.548 626 V N -2.556 117.466 119.914 0.180 0.000 3.354 626 V HA 0.558 4.677 4.120 -0.001 0.000 0.258 626 V C 1.160 177.309 176.094 0.092 0.000 1.159 626 V CA 0.354 62.716 62.300 0.104 0.000 1.125 626 V CB -0.717 31.110 31.823 0.006 0.000 0.774 626 V HN 0.436 nan 8.190 nan 0.000 0.464 627 G N 0.699 109.559 108.800 0.099 0.000 2.752 627 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.234 627 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.234 627 G C 0.171 175.139 174.900 0.114 0.000 1.367 627 G CA 0.157 45.311 45.100 0.090 0.000 0.879 627 G HN 0.526 nan 8.290 nan 0.000 0.563 628 L N -0.195 121.071 121.223 0.071 0.000 2.201 628 L HA 0.075 4.415 4.340 -0.001 0.000 0.212 628 L C 2.554 179.462 176.870 0.063 0.000 1.105 628 L CA 1.784 56.659 54.840 0.058 0.000 0.775 628 L CB -0.279 41.795 42.059 0.025 0.000 0.913 628 L HN 0.692 nan 8.230 nan 0.000 0.440 629 E N -0.247 119.990 120.200 0.061 0.000 2.472 629 E HA 0.108 4.457 4.350 -0.001 0.000 0.196 629 E C 1.077 177.719 176.600 0.069 0.000 1.033 629 E CA -0.012 56.422 56.400 0.056 0.000 0.886 629 E CB 0.486 30.213 29.700 0.044 0.000 0.944 629 E HN 0.427 nan 8.360 nan 0.000 0.492 630 G N 0.430 109.278 108.800 0.079 0.000 2.537 630 G HA2 0.260 4.220 3.960 -0.001 0.000 0.297 630 G HA3 0.260 4.220 3.960 -0.001 0.000 0.297 630 G C -0.837 174.103 174.900 0.067 0.000 1.310 630 G CA -0.226 44.922 45.100 0.080 0.000 1.027 630 G HN -0.063 nan 8.290 nan 0.000 0.505 631 D N -2.549 117.859 120.400 0.014 0.000 2.570 631 D HA 0.535 5.175 4.640 -0.001 0.000 0.244 631 D C -1.155 174.858 176.300 -0.478 0.000 1.178 631 D CA -0.283 53.660 54.000 -0.096 0.000 0.881 631 D CB 2.369 43.214 40.800 0.074 0.000 1.453 631 D HN 0.475 nan 8.370 nan 0.000 0.447 632 V N 1.984 121.600 119.914 -0.497 0.000 2.709 632 V HA 0.628 4.748 4.120 -0.001 0.000 0.308 632 V C -1.682 174.067 176.094 -0.575 0.000 1.062 632 V CA -0.841 61.038 62.300 -0.701 0.000 0.901 632 V CB 1.644 33.160 31.823 -0.510 0.000 1.003 632 V HN 0.509 nan 8.190 nan 0.000 0.425 633 L N 7.692 128.509 121.223 -0.677 0.000 2.282 633 L HA 0.916 5.255 4.340 -0.001 0.000 0.287 633 L C 0.367 177.167 176.870 -0.117 0.000 1.075 633 L CA 1.217 55.858 54.840 -0.332 0.000 0.839 633 L CB 0.253 42.150 42.059 -0.271 0.000 1.219 633 L HN 0.942 nan 8.230 nan 0.000 0.434 634 G N 4.783 113.592 108.800 0.015 0.000 3.247 634 G HA2 0.654 4.613 3.960 -0.001 0.000 0.226 634 G HA3 0.654 4.613 3.960 -0.001 0.000 0.226 634 G C -1.183 173.894 174.900 0.294 0.000 1.220 634 G CA -0.631 44.605 45.100 0.226 0.000 0.875 634 G HN 0.395 nan 8.290 nan 0.000 0.606 635 I N 0.475 121.186 120.570 0.236 0.000 2.534 635 I HA 0.307 4.477 4.170 -0.001 0.000 0.286 635 I C -1.163 175.019 176.117 0.107 0.000 1.094 635 I CA -0.484 60.945 61.300 0.214 0.000 1.055 635 I CB 2.663 40.841 38.000 0.298 0.000 1.225 635 I HN 0.296 nan 8.210 nan 0.000 0.435 636 D N 3.841 124.264 120.400 0.040 0.000 2.538 636 D HA 0.124 4.764 4.640 -0.001 0.000 0.231 636 D C 0.402 176.634 176.300 -0.114 0.000 1.229 636 D CA 0.346 54.331 54.000 -0.026 0.000 0.828 636 D CB 0.998 41.800 40.800 0.003 0.000 1.035 636 D HN 0.644 nan 8.370 nan 0.000 0.495 637 T N -3.100 111.398 114.554 -0.092 0.000 2.888 637 T HA 0.560 4.910 4.350 -0.001 0.000 0.288 637 T C 0.187 174.808 174.700 -0.132 0.000 1.063 637 T CA -0.734 61.278 62.100 -0.148 0.000 1.010 637 T CB 1.252 70.094 68.868 -0.044 0.000 1.214 637 T HN -0.283 nan 8.240 nan 0.000 0.533 638 F N 0.456 120.469 119.950 0.106 0.000 2.426 638 F HA 0.566 5.093 4.527 -0.001 0.000 0.309 638 F C 1.695 177.613 175.800 0.197 0.000 1.246 638 F CA 0.444 58.511 58.000 0.112 0.000 1.229 638 F CB -0.030 39.010 39.000 0.067 0.000 1.255 638 F HN 0.970 nan 8.300 nan 0.000 0.558 639 G N -0.676 108.331 108.800 0.346 0.000 2.666 639 G HA2 0.643 4.603 3.960 -0.001 0.000 0.207 639 G HA3 0.643 4.603 3.960 -0.001 0.000 0.207 639 G C -1.289 173.696 174.900 0.142 0.000 1.481 639 G CA 0.052 45.243 45.100 0.152 0.000 1.071 639 G HN 0.919 nan 8.290 nan 0.000 0.572 640 A N -2.041 120.784 122.820 0.008 0.000 2.599 640 A HA 0.652 4.972 4.320 -0.001 0.000 0.290 640 A C -0.695 176.879 177.584 -0.016 0.000 1.101 640 A CA -0.003 52.054 52.037 0.035 0.000 0.674 640 A CB 1.080 20.120 19.000 0.067 0.000 1.277 640 A HN 1.276 nan 8.150 nan 0.000 0.419 641 S N -0.085 115.614 115.700 -0.002 0.000 2.461 641 S HA 0.723 5.193 4.470 -0.001 0.000 0.322 641 S C -0.322 174.266 174.600 -0.018 0.000 1.063 641 S CA 0.457 58.643 58.200 -0.022 0.000 1.120 641 S CB -0.160 63.029 63.200 -0.019 0.000 0.968 641 S HN 2.312 nan 8.310 nan 0.000 0.467 642 A N 5.713 128.514 122.820 -0.032 0.000 2.567 642 A HA 0.718 5.038 4.320 -0.001 0.000 0.291 642 A C -3.248 174.316 177.584 -0.034 0.000 1.048 642 A CA -1.278 50.745 52.037 -0.023 0.000 0.661 642 A CB 0.384 19.378 19.000 -0.010 0.000 1.288 642 A HN 0.524 nan 8.150 nan 0.000 0.424 643 P HA 0.067 nan 4.420 nan 0.000 0.263 643 P C 1.279 178.556 177.300 -0.038 0.000 1.168 643 P CA 1.344 64.428 63.100 -0.026 0.000 0.759 643 P CB 0.570 32.262 31.700 -0.014 0.000 0.782 644 G N 3.754 112.526 108.800 -0.047 0.000 2.476 644 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.218 644 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.218 644 G C 1.157 176.025 174.900 -0.054 0.000 1.164 644 G CA 0.861 45.922 45.100 -0.066 0.000 0.768 644 G HN 0.686 nan 8.290 nan 0.000 0.560 645 E N 0.296 120.477 120.200 -0.031 0.000 2.204 645 E HA -0.082 4.268 4.350 -0.001 0.000 0.194 645 E C 2.196 178.800 176.600 0.008 0.000 0.989 645 E CA 1.249 57.643 56.400 -0.010 0.000 0.824 645 E CB -0.138 29.560 29.700 -0.003 0.000 0.756 645 E HN 0.366 nan 8.360 nan 0.000 0.477 646 K N 1.731 122.132 120.400 0.003 0.000 2.026 646 K HA -0.037 4.283 4.320 -0.001 0.000 0.208 646 K C 1.032 177.649 176.600 0.029 0.000 1.048 646 K CA 0.895 57.193 56.287 0.019 0.000 0.929 646 K CB -0.450 32.058 32.500 0.013 0.000 0.713 646 K HN 0.195 nan 8.250 nan 0.000 0.439 650 E N 0.340 120.656 120.200 0.193 0.000 2.150 650 E HA -0.107 4.243 4.350 -0.001 0.000 0.193 650 E C 1.319 178.098 176.600 0.297 0.000 0.985 650 E CA 0.996 57.531 56.400 0.225 0.000 0.814 650 E CB -0.091 29.764 29.700 0.258 0.000 0.752 650 E HN 0.373 nan 8.360 nan 0.000 0.466 651 Y N 0.033 120.398 120.300 0.109 0.000 2.578 651 Y HA 0.139 4.689 4.550 -0.001 0.000 0.297 651 Y C 1.756 177.678 175.900 0.037 0.000 1.176 651 Y CA 0.696 58.883 58.100 0.146 0.000 1.315 651 Y CB 0.127 38.756 38.460 0.282 0.000 1.031 651 Y HN 0.174 nan 8.280 nan 0.000 0.524 652 G N -1.141 107.721 108.800 0.102 0.000 2.176 652 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.232 652 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.232 652 G C 0.146 174.878 174.900 -0.281 0.000 0.986 652 G CA -0.345 44.672 45.100 -0.139 0.000 0.643 652 G HN 0.233 nan 8.290 nan 0.000 0.522 653 F N 3.033 123.028 119.950 0.074 0.000 2.669 653 F HA 0.479 5.005 4.527 -0.001 0.000 0.353 653 F C 1.299 177.116 175.800 0.027 0.000 1.192 653 F CA 0.728 58.755 58.000 0.046 0.000 1.317 653 F CB 0.180 39.204 39.000 0.040 0.000 1.652 653 F HN 0.259 nan 8.300 nan 0.000 0.608 654 T N -3.943 110.649 114.554 0.063 0.000 2.906 654 T HA 0.426 4.775 4.350 -0.001 0.000 0.295 654 T C 0.798 175.503 174.700 0.007 0.000 1.075 654 T CA -0.759 61.366 62.100 0.043 0.000 1.005 654 T CB 1.715 70.596 68.868 0.022 0.000 1.136 654 T HN -0.114 nan 8.240 nan 0.000 0.498 655 V N 1.182 121.099 119.914 0.005 0.000 2.295 655 V HA -0.126 3.993 4.120 -0.001 0.000 0.246 655 V C 2.817 178.887 176.094 -0.041 0.000 1.049 655 V CA 2.320 64.610 62.300 -0.017 0.000 1.024 655 V CB -0.905 30.910 31.823 -0.015 0.000 0.648 655 V HN 1.087 nan 8.190 nan 0.000 0.447 656 E N 0.508 120.688 120.200 -0.033 0.000 2.065 656 E HA -0.353 3.997 4.350 -0.001 0.000 0.201 656 E C 2.083 178.647 176.600 -0.061 0.000 1.016 656 E CA 2.150 58.524 56.400 -0.042 0.000 0.818 656 E CB -0.204 29.479 29.700 -0.028 0.000 0.749 656 E HN 0.629 nan 8.360 nan 0.000 0.453 657 N N -0.293 118.371 118.700 -0.060 0.000 2.142 657 N HA -0.131 4.609 4.740 -0.001 0.000 0.186 657 N C 1.788 177.231 175.510 -0.111 0.000 1.023 657 N CA 1.331 54.332 53.050 -0.080 0.000 0.852 657 N CB -0.074 38.361 38.487 -0.086 0.000 0.998 657 N HN 0.024 nan 8.380 nan 0.000 0.424 658 V N -0.156 119.691 119.914 -0.112 0.000 2.295 658 V HA -0.188 3.931 4.120 -0.001 0.000 0.246 658 V C 2.293 178.224 176.094 -0.271 0.000 1.049 658 V CA 1.360 63.560 62.300 -0.167 0.000 1.024 658 V CB -0.501 31.267 31.823 -0.092 0.000 0.648 658 V HN 0.179 nan 8.190 nan 0.000 0.447 659 V N 0.722 120.528 119.914 -0.181 0.000 2.332 659 V HA -0.331 3.788 4.120 -0.001 0.000 0.248 659 V C 2.597 178.579 176.094 -0.186 0.000 1.055 659 V CA 2.658 64.851 62.300 -0.178 0.000 1.038 659 V CB -0.913 30.842 31.823 -0.113 0.000 0.651 659 V HN 0.653 nan 8.190 nan 0.000 0.450 660 R N 0.368 120.779 120.500 -0.149 0.000 2.066 660 R HA -0.156 4.184 4.340 -0.001 0.000 0.232 660 R C 2.316 178.525 176.300 -0.151 0.000 1.131 660 R CA 1.567 57.593 56.100 -0.123 0.000 0.955 660 R CB -0.321 29.928 30.300 -0.085 0.000 0.851 660 R HN 0.317 nan 8.270 nan 0.000 0.432 661 K N 0.497 120.785 120.400 -0.188 0.000 2.147 661 K HA -0.065 4.255 4.320 -0.001 0.000 0.205 661 K C 2.119 178.524 176.600 -0.324 0.000 1.049 661 K CA 1.217 57.404 56.287 -0.168 0.000 0.936 661 K CB -0.153 32.335 32.500 -0.021 0.000 0.722 661 K HN 0.145 nan 8.250 nan 0.000 0.446 662 V N 1.826 121.393 119.914 -0.578 0.000 2.270 662 V HA -0.207 3.912 4.120 -0.001 0.000 0.245 662 V C 2.242 178.184 176.094 -0.254 0.000 1.043 662 V CA 1.603 63.561 62.300 -0.569 0.000 1.014 662 V CB -0.334 31.134 31.823 -0.591 0.000 0.645 662 V HN 0.303 nan 8.190 nan 0.000 0.447 663 K N -0.130 120.151 120.400 -0.197 0.000 2.152 663 K HA -0.136 4.183 4.320 -0.001 0.000 0.206 663 K C 1.081 177.630 176.600 -0.086 0.000 1.048 663 K CA 0.809 57.025 56.287 -0.118 0.000 0.933 663 K CB -0.127 32.314 32.500 -0.098 0.000 0.721 663 K HN 0.578 nan 8.250 nan 0.000 0.447 666 L N 0.000 121.213 121.223 -0.016 0.000 2.949 666 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 666 L CA 0.000 54.833 54.840 -0.012 0.000 0.813 666 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 666 L HN 0.000 nan 8.230 nan 0.000 0.502