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 3hu2_1_A DATA FIRST_RESID 12 DATA SEQUENCE LSTAILKQKN RPNRLIVDEA INEDNSVVSL SQPKMDELQL FRGDTVLLKG DATA SEQUENCE KKRREAVCIV LSDDTCSDEK IRMNAVVRNN LRVRLGDVIS IQPCPDVKYG DATA SEQUENCE KRIHVLPIDD TVEGITGNLF EVYLKPYFLE AYRPIRKGDI FLVRGGMRAV DATA SEQUENCE EFKVVETDPS PYCIVAPDTV IHCEGEPIKR EDEEESLNEV GYDDIGGCRK DATA SEQUENCE QLAQIKEMVE LPLRHPALFK AIGVKPPRGI LLYGPPGTGK TLIARAVANE DATA SEQUENCE TGAFFFLING PEIMSKLAGE SESNLRKAFE EAEKNAPAII FIDELDAIAP DATA SEQUENCE KREKTHGEVE RRIVSQLLTL MDGLKQRAHV IVMAATNRPN SIDPALRRFG DATA SEQUENCE RFDREVDIGI PDATGRLEIL QIHTKNMKLA DDVDLEQVAN ETHGHVGADL DATA SEQUENCE AALCSEAALQ AIRKKMDLID LEDETIDAEV MNSLAVTMDD FRWALSQSNP DATA SEQUENCE SA 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 12 L HA 0.000 nan 4.340 nan 0.000 0.249 12 L C 0.000 176.870 176.870 0.000 0.000 1.165 12 L CA 0.000 54.839 54.840 -0.001 0.000 0.813 12 L CB 0.000 42.059 42.059 0.001 0.000 0.961 13 S N -1.705 113.996 115.700 0.002 0.000 2.527 13 S HA 0.060 4.531 4.470 0.000 0.000 0.227 13 S C 1.651 176.253 174.600 0.002 0.000 1.059 13 S CA 0.819 59.022 58.200 0.005 0.000 0.919 13 S CB -0.232 62.974 63.200 0.009 0.000 0.805 13 S HN 0.373 nan 8.310 nan 0.000 0.500 14 T N 1.914 116.467 114.554 -0.002 0.000 3.077 14 T HA 0.136 4.486 4.350 0.000 0.000 0.269 14 T C 1.715 176.410 174.700 -0.007 0.000 1.146 14 T CA 1.052 63.147 62.100 -0.007 0.000 1.091 14 T CB -0.899 67.964 68.868 -0.008 0.000 0.892 14 T HN 0.581 nan 8.240 nan 0.000 0.533 15 A N 1.056 123.873 122.820 -0.004 0.000 1.986 15 A HA -0.079 4.241 4.320 0.000 0.000 0.220 15 A C 2.162 179.744 177.584 -0.003 0.000 1.171 15 A CA 1.582 53.617 52.037 -0.004 0.000 0.640 15 A CB -0.785 18.212 19.000 -0.006 0.000 0.811 15 A HN 0.690 nan 8.150 nan 0.000 0.451 16 I N -0.807 119.763 120.570 -0.000 0.000 2.567 16 I HA -0.182 3.989 4.170 0.000 0.000 0.257 16 I C 1.647 177.765 176.117 0.001 0.000 1.184 16 I CA 1.053 62.357 61.300 0.006 0.000 1.451 16 I CB 0.031 38.041 38.000 0.018 0.000 1.089 16 I HN 0.335 nan 8.210 nan 0.000 0.441 17 L N -0.097 121.120 121.223 -0.010 0.000 2.529 17 L HA 0.082 4.423 4.340 0.000 0.000 0.223 17 L C 1.145 178.013 176.870 -0.004 0.000 1.113 17 L CA -0.027 54.803 54.840 -0.016 0.000 0.861 17 L CB -0.369 41.670 42.059 -0.034 0.000 1.012 17 L HN 0.017 nan 8.230 nan 0.000 0.461 18 K N 0.923 121.323 120.400 -0.001 0.000 2.436 18 K HA -0.037 4.283 4.320 0.000 0.000 0.275 18 K C 1.005 177.610 176.600 0.007 0.000 0.999 18 K CA 0.013 56.301 56.287 0.002 0.000 0.980 18 K CB 0.781 33.281 32.500 -0.000 0.000 0.919 18 K HN 0.125 nan 8.250 nan 0.000 0.484 19 Q N 2.095 121.900 119.800 0.008 0.000 2.096 19 Q HA -0.192 4.148 4.340 0.000 0.000 0.204 19 Q C -0.341 175.667 176.000 0.013 0.000 0.982 19 Q CA 1.386 57.197 55.803 0.012 0.000 0.850 19 Q CB -0.093 28.651 28.738 0.010 0.000 0.901 19 Q HN 0.503 nan 8.270 nan 0.000 0.422 20 K N 1.558 121.963 120.400 0.008 0.000 6.691 20 K HA -0.103 4.218 4.320 0.000 0.000 0.741 20 K C -1.261 175.343 176.600 0.007 0.000 2.096 20 K CA 0.154 56.444 56.287 0.006 0.000 1.671 20 K CB -0.670 31.834 32.500 0.008 0.000 1.891 20 K HN 0.241 nan 8.250 nan 0.000 0.314 21 N N 3.337 122.039 118.700 0.004 0.000 2.468 21 N HA 0.140 4.880 4.740 0.000 0.000 0.265 21 N C -0.050 175.462 175.510 0.003 0.000 1.199 21 N CA 0.191 53.243 53.050 0.003 0.000 0.928 21 N CB 0.627 39.115 38.487 0.002 0.000 1.059 21 N HN 0.307 nan 8.380 nan 0.000 0.467 22 R N 2.138 122.640 120.500 0.003 0.000 2.795 22 R HA 0.379 4.720 4.340 0.000 0.000 0.275 22 R C -1.398 174.901 176.300 -0.001 0.000 0.981 22 R CA -1.388 54.713 56.100 0.002 0.000 0.917 22 R CB 1.207 31.510 30.300 0.004 0.000 1.202 22 R HN 0.249 nan 8.270 nan 0.000 0.469 23 P HA -0.286 nan 4.420 nan 0.000 0.219 23 P C 0.227 177.522 177.300 -0.009 0.000 1.158 23 P CA 1.696 64.792 63.100 -0.007 0.000 0.895 23 P CB 0.134 31.828 31.700 -0.011 0.000 0.792 24 N N -1.505 117.190 118.700 -0.008 0.000 2.356 24 N HA -0.050 4.690 4.740 0.000 0.000 0.178 24 N C 0.834 176.341 175.510 -0.005 0.000 1.075 24 N CA 0.017 53.061 53.050 -0.010 0.000 0.889 24 N CB -0.180 38.299 38.487 -0.013 0.000 0.999 24 N HN 0.070 nan 8.380 nan 0.000 0.464 25 R N 0.961 121.461 120.500 -0.000 0.000 2.343 25 R HA 0.323 4.664 4.340 0.000 0.000 0.326 25 R C -0.843 175.458 176.300 0.002 0.000 1.055 25 R CA 0.055 56.157 56.100 0.003 0.000 0.961 25 R CB 0.210 30.515 30.300 0.007 0.000 0.978 25 R HN 0.172 nan 8.270 nan 0.000 0.443 26 L N 4.870 126.094 121.223 0.001 0.000 2.388 26 L HA 0.491 4.831 4.340 0.000 0.000 0.264 26 L C -0.265 176.607 176.870 0.003 0.000 0.998 26 L CA -0.895 53.946 54.840 0.001 0.000 0.817 26 L CB 2.220 44.278 42.059 -0.002 0.000 1.338 26 L HN 0.482 nan 8.230 nan 0.000 0.414 27 I N 2.512 123.084 120.570 0.003 0.000 2.441 27 I HA 0.109 4.279 4.170 0.000 0.000 0.287 27 I C 0.167 176.287 176.117 0.004 0.000 1.049 27 I CA -0.646 60.656 61.300 0.004 0.000 1.381 27 I CB 1.411 39.413 38.000 0.004 0.000 1.409 27 I HN 0.319 nan 8.210 nan 0.000 0.523 28 V N 3.017 122.934 119.914 0.005 0.000 2.415 28 V HA 0.267 4.387 4.120 0.000 0.000 0.267 28 V C -0.176 175.922 176.094 0.006 0.000 1.042 28 V CA -0.307 61.996 62.300 0.006 0.000 1.000 28 V CB 0.733 32.560 31.823 0.007 0.000 1.015 28 V HN 0.590 nan 8.190 nan 0.000 0.478 29 D N 3.107 123.511 120.400 0.006 0.000 2.272 29 D HA 0.334 4.974 4.640 0.000 0.000 0.247 29 D C -0.156 176.149 176.300 0.008 0.000 0.990 29 D CA -0.615 53.389 54.000 0.007 0.000 0.931 29 D CB 2.168 42.971 40.800 0.006 0.000 1.195 29 D HN 0.854 nan 8.370 nan 0.000 0.477 30 E N 0.366 120.572 120.200 0.009 0.000 2.414 30 E HA 0.386 4.737 4.350 0.000 0.000 0.263 30 E C -0.981 175.626 176.600 0.011 0.000 1.000 30 E CA -0.332 56.074 56.400 0.011 0.000 0.914 30 E CB 0.690 30.396 29.700 0.010 0.000 0.948 30 E HN 0.359 nan 8.360 nan 0.000 0.444 31 A N 4.572 127.400 122.820 0.014 0.000 2.401 31 A HA 0.312 4.632 4.320 0.000 0.000 0.259 31 A C 1.080 178.672 177.584 0.013 0.000 1.103 31 A CA -0.033 52.012 52.037 0.014 0.000 0.789 31 A CB -0.111 18.900 19.000 0.017 0.000 1.035 31 A HN 0.821 nan 8.150 nan 0.000 0.491 32 I N 0.196 120.773 120.570 0.011 0.000 2.703 32 I HA 0.106 4.276 4.170 0.000 0.000 0.259 32 I C 0.691 176.814 176.117 0.011 0.000 1.151 32 I CA 0.282 61.589 61.300 0.010 0.000 1.470 32 I CB -0.061 37.944 38.000 0.008 0.000 1.112 32 I HN 0.490 nan 8.210 nan 0.000 0.437 33 N N 2.523 121.230 118.700 0.011 0.000 2.439 33 N HA 0.009 4.749 4.740 0.000 0.000 0.243 33 N C 0.400 175.920 175.510 0.016 0.000 1.088 33 N CA 0.243 53.299 53.050 0.011 0.000 0.940 33 N CB 1.049 39.541 38.487 0.008 0.000 1.180 33 N HN 0.245 nan 8.380 nan 0.000 0.505 34 E N 1.337 121.548 120.200 0.018 0.000 2.482 34 E HA -0.047 4.303 4.350 0.000 0.000 0.196 34 E C -0.474 176.149 176.600 0.039 0.000 1.047 34 E CA 0.152 56.568 56.400 0.028 0.000 0.869 34 E CB -0.044 29.672 29.700 0.028 0.000 0.836 34 E HN 0.576 nan 8.360 nan 0.000 0.520 35 D N -0.503 119.913 120.400 0.028 0.000 2.389 35 D HA 0.001 4.641 4.640 0.000 0.000 0.247 35 D C 0.790 177.116 176.300 0.043 0.000 1.128 35 D CA 0.017 54.034 54.000 0.028 0.000 0.884 35 D CB 0.671 41.463 40.800 -0.013 0.000 1.194 35 D HN -0.114 nan 8.370 nan 0.000 0.441 36 N N 1.529 120.281 118.700 0.087 0.000 2.205 36 N HA -0.134 4.607 4.740 0.000 0.000 0.186 36 N C 1.078 176.624 175.510 0.060 0.000 1.015 36 N CA 0.676 53.796 53.050 0.116 0.000 0.862 36 N CB -0.058 38.578 38.487 0.247 0.000 0.986 36 N HN 0.236 nan 8.380 nan 0.000 0.429 37 S N -0.296 115.404 115.700 -0.000 0.000 2.593 37 S HA 0.133 4.604 4.470 0.000 0.000 0.217 37 S C 0.343 174.939 174.600 -0.007 0.000 0.966 37 S CA -0.239 57.952 58.200 -0.016 0.000 0.914 37 S CB 0.381 63.542 63.200 -0.064 0.000 0.776 37 S HN 0.058 nan 8.310 nan 0.000 0.523 38 V N 2.422 122.337 119.914 0.001 0.000 2.540 38 V HA 0.676 4.796 4.120 0.000 0.000 0.302 38 V C -0.821 175.277 176.094 0.006 0.000 1.035 38 V CA -0.678 61.622 62.300 0.001 0.000 0.873 38 V CB 1.782 33.603 31.823 -0.002 0.000 0.992 38 V HN 0.109 nan 8.190 nan 0.000 0.428 39 V N 3.665 123.581 119.914 0.002 0.000 2.715 39 V HA 0.824 4.944 4.120 0.000 0.000 0.310 39 V C -0.157 175.939 176.094 0.002 0.000 1.054 39 V CA -0.412 61.889 62.300 0.003 0.000 0.928 39 V CB 1.897 33.719 31.823 -0.002 0.000 1.007 39 V HN 0.793 nan 8.190 nan 0.000 0.437 40 S N 4.497 120.200 115.700 0.004 0.000 2.454 40 S HA 0.830 5.300 4.470 0.000 0.000 0.306 40 S C -0.520 174.082 174.600 0.003 0.000 1.100 40 S CA -0.569 57.634 58.200 0.005 0.000 1.087 40 S CB 1.136 64.340 63.200 0.007 0.000 1.019 40 S HN 0.702 nan 8.310 nan 0.000 0.480 41 L N 1.885 123.110 121.223 0.003 0.000 2.323 41 L HA 0.597 4.938 4.340 0.000 0.000 0.265 41 L C 0.556 177.430 176.870 0.006 0.000 1.012 41 L CA -0.973 53.869 54.840 0.002 0.000 0.820 41 L CB 1.984 44.042 42.059 -0.002 0.000 1.334 41 L HN 0.722 nan 8.230 nan 0.000 0.427 42 S N -0.097 115.606 115.700 0.005 0.000 2.579 42 S HA 0.008 4.479 4.470 0.000 0.000 0.275 42 S C 0.623 175.229 174.600 0.011 0.000 1.345 42 S CA -0.228 57.977 58.200 0.008 0.000 1.031 42 S CB 1.451 64.655 63.200 0.006 0.000 0.892 42 S HN 0.682 nan 8.310 nan 0.000 0.529 43 Q N 1.861 121.669 119.800 0.014 0.000 2.084 43 Q HA 0.036 4.377 4.340 0.000 0.000 0.202 43 Q C -0.972 175.041 176.000 0.020 0.000 0.978 43 Q CA 2.005 57.820 55.803 0.020 0.000 0.844 43 Q CB -1.677 27.074 28.738 0.021 0.000 0.898 43 Q HN 0.715 nan 8.270 nan 0.000 0.426 44 P HA -0.068 nan 4.420 nan 0.000 0.226 44 P C 0.460 177.765 177.300 0.008 0.000 1.153 44 P CA 1.106 64.213 63.100 0.013 0.000 0.777 44 P CB 0.117 31.823 31.700 0.010 0.000 0.794 45 K N -0.334 120.069 120.400 0.005 0.000 2.166 45 K HA 0.127 4.448 4.320 0.000 0.000 0.201 45 K C 1.948 178.542 176.600 -0.009 0.000 1.052 45 K CA 1.135 57.421 56.287 -0.002 0.000 0.969 45 K CB -0.851 31.647 32.500 -0.003 0.000 0.761 45 K HN -0.005 nan 8.250 nan 0.000 0.459 46 M N 0.343 119.942 119.600 -0.002 0.000 2.159 46 M HA -0.154 4.326 4.480 0.000 0.000 0.263 46 M C 1.202 177.494 176.300 -0.013 0.000 1.063 46 M CA 1.952 57.248 55.300 -0.008 0.000 1.110 46 M CB -0.347 32.264 32.600 0.017 0.000 1.374 46 M HN 0.114 nan 8.290 nan 0.000 0.411 47 D N 0.148 120.557 120.400 0.014 0.000 2.117 47 D HA -0.181 4.460 4.640 0.000 0.000 0.197 47 D C 1.954 178.252 176.300 -0.005 0.000 0.987 47 D CA 1.124 55.139 54.000 0.025 0.000 0.829 47 D CB -0.016 40.807 40.800 0.038 0.000 0.961 47 D HN 0.355 nan 8.370 nan 0.000 0.460 48 E N -0.077 120.117 120.200 -0.011 0.000 2.072 48 E HA -0.102 4.249 4.350 0.000 0.000 0.191 48 E C 1.637 178.215 176.600 -0.036 0.000 0.985 48 E CA 0.598 56.988 56.400 -0.017 0.000 0.801 48 E CB 0.059 29.752 29.700 -0.012 0.000 0.750 48 E HN 0.294 nan 8.360 nan 0.000 0.452 49 L N 0.522 121.714 121.223 -0.052 0.000 2.591 49 L HA 0.061 4.402 4.340 0.000 0.000 0.228 49 L C 0.346 177.142 176.870 -0.124 0.000 1.133 49 L CA 0.136 54.933 54.840 -0.072 0.000 0.880 49 L CB 0.035 42.056 42.059 -0.064 0.000 1.033 49 L HN 0.119 nan 8.230 nan 0.000 0.450 50 Q N 0.855 120.563 119.800 -0.153 0.000 2.452 50 Q HA -0.188 4.152 4.340 0.000 0.000 0.318 50 Q C -0.792 174.912 176.000 -0.493 0.000 1.386 50 Q CA 0.438 56.062 55.803 -0.300 0.000 0.872 50 Q CB -1.372 27.213 28.738 -0.255 0.000 1.151 50 Q HN 0.452 nan 8.270 nan 0.000 0.417 51 L N 1.085 122.093 121.223 -0.359 0.000 2.294 51 L HA 0.508 4.848 4.340 0.000 0.000 0.283 51 L C 0.248 176.997 176.870 -0.201 0.000 1.015 51 L CA -0.508 54.147 54.840 -0.308 0.000 0.831 51 L CB 0.638 42.614 42.059 -0.140 0.000 1.217 51 L HN 0.084 nan 8.230 nan 0.000 0.420 52 F N 1.276 121.220 119.950 -0.011 0.000 2.375 52 F HA 0.369 4.896 4.527 0.001 0.000 0.313 52 F C 1.154 176.947 175.800 -0.012 0.000 1.176 52 F CA -0.876 57.117 58.000 -0.011 0.000 1.142 52 F CB 0.497 39.491 39.000 -0.011 0.000 1.275 52 F HN 0.408 nan 8.300 nan 0.000 0.544 53 R N 0.462 121.090 120.500 0.214 0.000 2.489 53 R HA 0.260 4.600 4.340 0.000 0.000 0.287 53 R C 0.805 177.154 176.300 0.081 0.000 1.053 53 R CA 1.091 57.253 56.100 0.102 0.000 1.036 53 R CB -0.041 30.299 30.300 0.066 0.000 0.966 53 R HN 0.945 nan 8.270 nan 0.000 0.432 54 G N 3.013 111.842 108.800 0.050 0.000 2.175 54 G HA2 -0.221 3.739 3.960 0.000 0.000 0.244 54 G HA3 -0.221 3.739 3.960 0.000 0.000 0.244 54 G C -0.296 174.620 174.900 0.027 0.000 0.982 54 G CA 0.053 45.172 45.100 0.032 0.000 0.641 54 G HN 0.649 nan 8.290 nan 0.000 0.527 55 D N 2.102 122.522 120.400 0.034 0.000 2.424 55 D HA 0.406 5.047 4.640 0.000 0.000 0.244 55 D C 1.183 177.476 176.300 -0.011 0.000 1.134 55 D CA 1.074 55.081 54.000 0.012 0.000 0.881 55 D CB 1.007 41.809 40.800 0.002 0.000 1.191 55 D HN 0.436 nan 8.370 nan 0.000 0.445 56 T N -0.986 113.555 114.554 -0.021 0.000 2.834 56 T HA 0.400 4.750 4.350 0.000 0.000 0.298 56 T C 0.463 175.128 174.700 -0.059 0.000 0.966 56 T CA -0.871 61.207 62.100 -0.037 0.000 1.141 56 T CB 0.546 69.392 68.868 -0.037 0.000 0.905 56 T HN 0.193 nan 8.240 nan 0.000 0.535 57 V N 1.363 121.235 119.914 -0.071 0.000 2.960 57 V HA 0.816 4.937 4.120 0.000 0.000 0.315 57 V C -0.566 175.452 176.094 -0.126 0.000 1.087 57 V CA -1.517 60.732 62.300 -0.085 0.000 0.982 57 V CB 1.656 33.441 31.823 -0.063 0.000 1.039 57 V HN 0.821 nan 8.190 nan 0.000 0.437 58 L N 3.655 124.798 121.223 -0.134 0.000 2.287 58 L HA 0.654 4.995 4.340 0.000 0.000 0.287 58 L C -0.712 176.099 176.870 -0.098 0.000 1.022 58 L CA -0.182 54.557 54.840 -0.168 0.000 0.814 58 L CB 0.790 42.733 42.059 -0.194 0.000 1.217 58 L HN 0.726 nan 8.230 nan 0.000 0.420 59 L N 5.382 126.553 121.223 -0.086 0.000 2.307 59 L HA 0.538 4.878 4.340 0.000 0.000 0.284 59 L C -0.183 176.668 176.870 -0.032 0.000 1.023 59 L CA -0.650 54.163 54.840 -0.046 0.000 0.810 59 L CB 1.258 43.297 42.059 -0.033 0.000 1.231 59 L HN 0.537 nan 8.230 nan 0.000 0.423 60 K N 2.014 122.405 120.400 -0.016 0.000 2.367 60 K HA 0.499 4.819 4.320 0.000 0.000 0.263 60 K C 0.226 176.828 176.600 0.003 0.000 1.000 60 K CA -0.363 55.923 56.287 -0.002 0.000 0.891 60 K CB 2.077 34.581 32.500 0.006 0.000 1.117 60 K HN 0.759 nan 8.250 nan 0.000 0.443 61 G N 2.337 111.140 108.800 0.004 0.000 2.882 61 G HA2 0.256 4.216 3.960 0.000 0.000 0.164 61 G HA3 0.256 4.216 3.960 0.000 0.000 0.164 61 G C -0.519 174.383 174.900 0.005 0.000 1.429 61 G CA -0.429 44.674 45.100 0.005 0.000 1.059 61 G HN 0.372 nan 8.290 nan 0.000 0.581 62 K N -0.156 120.243 120.400 -0.002 0.000 2.090 62 K HA 0.380 4.700 4.320 0.000 0.000 0.249 62 K C -0.460 176.120 176.600 -0.033 0.000 0.995 62 K CA -0.454 55.827 56.287 -0.010 0.000 0.914 62 K CB 1.026 33.519 32.500 -0.012 0.000 1.057 62 K HN 0.364 nan 8.250 nan 0.000 0.462 63 K N 1.242 121.604 120.400 -0.063 0.000 3.257 63 K HA -0.288 4.032 4.320 0.000 0.000 0.270 63 K C 0.065 176.617 176.600 -0.080 0.000 0.984 63 K CA 0.945 57.166 56.287 -0.110 0.000 0.739 63 K CB -1.091 31.336 32.500 -0.121 0.000 1.351 63 K HN 0.840 nan 8.250 nan 0.000 0.463 64 R N -1.339 119.130 120.500 -0.052 0.000 3.870 64 R HA -0.221 4.119 4.340 0.000 0.000 0.463 64 R C -0.519 175.779 176.300 -0.003 0.000 0.790 64 R CA 1.859 57.944 56.100 -0.025 0.000 1.576 64 R CB -0.505 29.771 30.300 -0.040 0.000 2.233 64 R HN 0.354 nan 8.270 nan 0.000 0.463 65 R N 1.960 122.454 120.500 -0.008 0.000 2.537 65 R HA 0.194 4.534 4.340 0.000 0.000 0.280 65 R C -0.207 176.102 176.300 0.015 0.000 1.058 65 R CA 0.498 56.602 56.100 0.006 0.000 1.057 65 R CB 0.640 30.940 30.300 0.000 0.000 0.973 65 R HN 0.394 nan 8.270 nan 0.000 0.438 66 E N 0.040 120.257 120.200 0.027 0.000 2.336 66 E HA 0.711 5.061 4.350 0.000 0.000 0.267 66 E C -1.184 175.425 176.600 0.015 0.000 0.906 66 E CA -0.960 55.450 56.400 0.016 0.000 0.781 66 E CB 2.450 32.166 29.700 0.027 0.000 1.261 66 E HN 0.642 nan 8.360 nan 0.000 0.436 67 A N 0.806 123.615 122.820 -0.018 0.000 2.515 67 A HA 0.616 4.936 4.320 0.000 0.000 0.298 67 A C -1.078 176.456 177.584 -0.084 0.000 1.059 67 A CA -0.761 51.267 52.037 -0.016 0.000 0.698 67 A CB 1.328 20.335 19.000 0.011 0.000 1.289 67 A HN 0.353 nan 8.150 nan 0.000 0.404 68 V N -1.165 118.696 119.914 -0.089 0.000 2.417 68 V HA 0.777 4.897 4.120 0.000 0.000 0.291 68 V C -0.209 175.849 176.094 -0.061 0.000 1.024 68 V CA -0.734 61.482 62.300 -0.140 0.000 0.861 68 V CB 0.102 31.779 31.823 -0.245 0.000 0.985 68 V HN 0.996 nan 8.190 nan 0.000 0.436 69 C N 4.408 123.672 119.300 -0.060 0.000 3.080 69 C HA 0.682 5.142 4.460 0.000 0.000 0.307 69 C C -0.064 174.910 174.990 -0.027 0.000 1.311 69 C CA -0.761 58.240 59.018 -0.028 0.000 1.533 69 C CB 1.998 29.728 27.740 -0.018 0.000 1.970 69 C HN 0.906 nan 8.230 nan 0.000 0.467 70 I N 1.601 122.163 120.570 -0.012 0.000 2.396 70 I HA 0.384 4.555 4.170 0.000 0.000 0.292 70 I C -0.029 176.085 176.117 -0.006 0.000 0.999 70 I CA -0.102 61.195 61.300 -0.006 0.000 1.310 70 I CB 1.125 39.127 38.000 0.003 0.000 1.404 70 I HN 0.320 nan 8.210 nan 0.000 0.496 71 V N 8.129 128.040 119.914 -0.005 0.000 2.407 71 V HA 0.522 4.642 4.120 0.000 0.000 0.278 71 V C -0.359 175.742 176.094 0.011 0.000 1.037 71 V CA -0.268 62.031 62.300 -0.002 0.000 0.900 71 V CB 1.128 32.944 31.823 -0.011 0.000 0.983 71 V HN 0.501 nan 8.190 nan 0.000 0.459 72 L N 5.653 126.882 121.223 0.011 0.000 2.354 72 L HA 0.613 4.954 4.340 0.000 0.000 0.264 72 L C 0.255 177.134 176.870 0.016 0.000 1.008 72 L CA -0.747 54.102 54.840 0.016 0.000 0.819 72 L CB 2.522 44.588 42.059 0.012 0.000 1.339 72 L HN 0.714 nan 8.230 nan 0.000 0.420 73 S N -0.393 115.320 115.700 0.020 0.000 2.572 73 S HA 0.340 4.811 4.470 0.000 0.000 0.279 73 S C -0.711 173.896 174.600 0.013 0.000 1.341 73 S CA -0.466 57.745 58.200 0.018 0.000 1.043 73 S CB 1.407 64.620 63.200 0.023 0.000 0.887 73 S HN 0.634 nan 8.310 nan 0.000 0.516 74 D N -0.079 120.328 120.400 0.011 0.000 2.964 74 D HA 0.360 5.000 4.640 0.000 0.000 0.234 74 D C -0.441 175.864 176.300 0.008 0.000 1.223 74 D CA -0.560 53.445 54.000 0.009 0.000 0.889 74 D CB 1.994 42.799 40.800 0.008 0.000 1.609 74 D HN 0.391 nan 8.370 nan 0.000 0.523 75 D N 0.794 121.198 120.400 0.008 0.000 2.137 75 D HA -0.071 4.569 4.640 0.000 0.000 0.202 75 D C 1.605 177.908 176.300 0.006 0.000 0.970 75 D CA 0.964 54.968 54.000 0.007 0.000 0.837 75 D CB -0.074 40.730 40.800 0.006 0.000 0.981 75 D HN 0.406 nan 8.370 nan 0.000 0.475 76 T N -0.442 114.115 114.554 0.006 0.000 3.072 76 T HA -0.057 4.294 4.350 0.000 0.000 0.266 76 T C 0.797 175.500 174.700 0.005 0.000 1.127 76 T CA 0.132 62.235 62.100 0.005 0.000 1.107 76 T CB -0.488 68.383 68.868 0.005 0.000 0.910 76 T HN 0.177 nan 8.240 nan 0.000 0.513 77 C N 2.586 121.890 119.300 0.006 0.000 2.527 77 C HA 0.643 5.103 4.460 0.000 0.000 0.396 77 C C 0.840 175.833 174.990 0.005 0.000 1.289 77 C CA -0.891 58.131 59.018 0.005 0.000 2.047 77 C CB -0.244 27.499 27.740 0.006 0.000 2.568 77 C HN 0.482 nan 8.230 nan 0.000 0.573 78 S N 4.260 119.963 115.700 0.004 0.000 2.593 78 S HA 0.089 4.559 4.470 0.000 0.000 0.269 78 S C 0.775 175.377 174.600 0.003 0.000 1.334 78 S CA -0.318 57.885 58.200 0.004 0.000 1.015 78 S CB 0.919 64.121 63.200 0.003 0.000 0.912 78 S HN 0.873 nan 8.310 nan 0.000 0.541 79 D N 1.165 121.567 120.400 0.003 0.000 2.092 79 D HA -0.099 4.542 4.640 0.000 0.000 0.193 79 D C 1.220 177.520 176.300 0.001 0.000 0.994 79 D CA 1.216 55.218 54.000 0.002 0.000 0.828 79 D CB 0.062 40.864 40.800 0.003 0.000 0.963 79 D HN 0.460 nan 8.370 nan 0.000 0.450 80 E N 0.274 120.475 120.200 0.001 0.000 2.437 80 E HA 0.125 4.475 4.350 0.000 0.000 0.189 80 E C -0.012 176.588 176.600 0.001 0.000 1.054 80 E CA 0.191 56.592 56.400 0.001 0.000 0.874 80 E CB 0.300 30.001 29.700 0.001 0.000 1.011 80 E HN 0.306 nan 8.360 nan 0.000 0.474 81 K N 0.555 120.956 120.400 0.002 0.000 2.281 81 K HA 0.601 4.921 4.320 0.000 0.000 0.242 81 K C -0.582 176.019 176.600 0.001 0.000 0.971 81 K CA -0.803 55.486 56.287 0.002 0.000 0.834 81 K CB 2.457 34.959 32.500 0.003 0.000 1.181 81 K HN -0.066 nan 8.250 nan 0.000 0.435 82 I N 1.217 121.788 120.570 0.002 0.000 2.499 82 I HA 0.312 4.482 4.170 0.000 0.000 0.288 82 I C -1.058 175.062 176.117 0.004 0.000 1.048 82 I CA -0.711 60.590 61.300 0.002 0.000 1.062 82 I CB 1.166 39.166 38.000 -0.001 0.000 1.238 82 I HN 0.460 nan 8.210 nan 0.000 0.426 83 R N 8.950 129.453 120.500 0.005 0.000 2.202 83 R HA 0.599 4.939 4.340 0.000 0.000 0.334 83 R C -0.922 175.384 176.300 0.010 0.000 1.036 83 R CA -0.371 55.734 56.100 0.008 0.000 0.878 83 R CB 1.120 31.425 30.300 0.008 0.000 1.067 83 R HN 0.654 nan 8.270 nan 0.000 0.457 84 M N 0.509 120.116 119.600 0.012 0.000 2.371 84 M HA 0.337 4.817 4.480 0.000 0.000 0.287 84 M C -0.942 175.371 176.300 0.022 0.000 1.149 84 M CA -1.226 54.084 55.300 0.017 0.000 0.929 84 M CB 2.076 34.686 32.600 0.016 0.000 1.683 84 M HN 0.386 nan 8.290 nan 0.000 0.470 85 N N 2.150 120.867 118.700 0.029 0.000 2.317 85 N HA 0.531 5.272 4.740 0.000 0.000 0.245 85 N C 0.991 176.523 175.510 0.036 0.000 1.294 85 N CA -0.038 53.032 53.050 0.033 0.000 0.924 85 N CB 0.740 39.252 38.487 0.042 0.000 1.186 85 N HN 0.834 nan 8.380 nan 0.000 0.495 86 A N 0.099 122.940 122.820 0.035 0.000 1.986 86 A HA -0.169 4.151 4.320 0.000 0.000 0.220 86 A C 2.031 179.639 177.584 0.039 0.000 1.171 86 A CA 1.770 53.826 52.037 0.031 0.000 0.640 86 A CB -1.145 17.871 19.000 0.026 0.000 0.811 86 A HN 0.500 nan 8.150 nan 0.000 0.451 87 V N -0.538 119.410 119.914 0.058 0.000 2.270 87 V HA -0.210 3.910 4.120 0.000 0.000 0.245 87 V C 2.592 178.734 176.094 0.080 0.000 1.043 87 V CA 1.945 64.293 62.300 0.080 0.000 1.014 87 V CB -0.700 31.196 31.823 0.120 0.000 0.645 87 V HN 0.401 nan 8.190 nan 0.000 0.447 88 V N -0.158 119.799 119.914 0.072 0.000 2.295 88 V HA -0.264 3.856 4.120 0.000 0.000 0.246 88 V C 2.535 178.654 176.094 0.041 0.000 1.049 88 V CA 2.048 64.383 62.300 0.058 0.000 1.024 88 V CB -0.886 30.963 31.823 0.044 0.000 0.648 88 V HN 0.428 nan 8.190 nan 0.000 0.447 89 R N 0.113 120.633 120.500 0.033 0.000 2.091 89 R HA -0.210 4.130 4.340 0.000 0.000 0.238 89 R C 2.306 178.619 176.300 0.020 0.000 1.136 89 R CA 1.964 58.078 56.100 0.022 0.000 0.959 89 R CB -0.472 29.839 30.300 0.018 0.000 0.856 89 R HN 0.594 nan 8.270 nan 0.000 0.437 90 N N 0.609 119.325 118.700 0.026 0.000 2.084 90 N HA -0.143 4.597 4.740 0.000 0.000 0.190 90 N C 1.201 176.725 175.510 0.024 0.000 1.030 90 N CA 1.712 54.774 53.050 0.021 0.000 0.849 90 N CB -0.116 38.384 38.487 0.023 0.000 1.012 90 N HN 0.241 nan 8.380 nan 0.000 0.423 91 N N -0.557 118.168 118.700 0.042 0.000 2.166 91 N HA -0.068 4.672 4.740 0.000 0.000 0.186 91 N C 1.016 176.545 175.510 0.031 0.000 1.019 91 N CA 0.739 53.818 53.050 0.048 0.000 0.856 91 N CB -0.050 38.483 38.487 0.075 0.000 0.993 91 N HN 0.242 nan 8.380 nan 0.000 0.426 92 L N 0.705 121.943 121.223 0.024 0.000 2.599 92 L HA 0.162 4.502 4.340 0.000 0.000 0.230 92 L C -0.013 176.860 176.870 0.004 0.000 1.141 92 L CA -0.032 54.816 54.840 0.013 0.000 0.877 92 L CB -0.045 42.020 42.059 0.011 0.000 1.009 92 L HN 0.118 nan 8.230 nan 0.000 0.447 93 R N 0.343 120.844 120.500 0.002 0.000 3.188 93 R HA -0.134 4.206 4.340 0.000 0.000 0.247 93 R C -0.736 175.561 176.300 -0.006 0.000 0.918 93 R CA 0.676 56.772 56.100 -0.008 0.000 0.629 93 R CB -2.478 27.810 30.300 -0.020 0.000 1.087 93 R HN 0.282 nan 8.270 nan 0.000 0.462 94 V N -2.258 117.656 119.914 -0.000 0.000 2.638 94 V HA 0.678 4.798 4.120 0.000 0.000 0.306 94 V C 0.516 176.611 176.094 0.003 0.000 1.052 94 V CA -1.414 60.887 62.300 0.002 0.000 0.885 94 V CB 2.659 34.485 31.823 0.005 0.000 0.999 94 V HN 0.145 nan 8.190 nan 0.000 0.424 95 R N 2.724 123.224 120.500 0.001 0.000 2.615 95 R HA 0.655 4.995 4.340 0.000 0.000 0.270 95 R C -0.457 175.845 176.300 0.004 0.000 1.081 95 R CA -0.570 55.532 56.100 0.002 0.000 1.154 95 R CB 0.432 30.732 30.300 0.000 0.000 1.063 95 R HN 0.780 nan 8.270 nan 0.000 0.519 96 L N 1.523 122.749 121.223 0.005 0.000 2.578 96 L HA 0.104 4.445 4.340 0.000 0.000 0.279 96 L C 1.384 178.257 176.870 0.005 0.000 1.227 96 L CA 1.534 56.377 54.840 0.006 0.000 0.900 96 L CB 0.183 42.245 42.059 0.006 0.000 1.144 96 L HN 0.887 nan 8.230 nan 0.000 0.496 97 G N 1.044 109.847 108.800 0.005 0.000 2.171 97 G HA2 -0.196 3.765 3.960 0.000 0.000 0.238 97 G HA3 -0.196 3.765 3.960 0.000 0.000 0.238 97 G C -0.202 174.701 174.900 0.006 0.000 1.039 97 G CA -0.342 44.761 45.100 0.005 0.000 0.759 97 G HN 0.574 nan 8.290 nan 0.000 0.501 98 D N -0.447 119.956 120.400 0.006 0.000 2.268 98 D HA 0.562 5.202 4.640 0.000 0.000 0.249 98 D C 0.907 177.212 176.300 0.008 0.000 1.008 98 D CA 0.021 54.025 54.000 0.008 0.000 0.939 98 D CB 2.042 42.847 40.800 0.008 0.000 1.170 98 D HN 0.688 nan 8.370 nan 0.000 0.468 99 V N -0.487 119.434 119.914 0.010 0.000 2.498 99 V HA 0.625 4.745 4.120 0.000 0.000 0.279 99 V C 0.074 176.175 176.094 0.011 0.000 1.048 99 V CA -0.564 61.742 62.300 0.010 0.000 0.967 99 V CB 0.395 32.225 31.823 0.012 0.000 0.988 99 V HN 0.442 nan 8.190 nan 0.000 0.473 100 I N 1.702 122.276 120.570 0.007 0.000 2.828 100 I HA 0.766 4.937 4.170 0.000 0.000 0.302 100 I C -0.031 176.088 176.117 0.003 0.000 1.101 100 I CA -0.679 60.624 61.300 0.006 0.000 1.031 100 I CB 2.197 40.199 38.000 0.003 0.000 1.231 100 I HN 0.466 nan 8.210 nan 0.000 0.427 101 S N 4.832 120.534 115.700 0.003 0.000 2.499 101 S HA 0.552 5.022 4.470 0.000 0.000 0.275 101 S C -0.275 174.318 174.600 -0.011 0.000 1.257 101 S CA -0.326 57.873 58.200 -0.001 0.000 1.050 101 S CB 0.472 63.674 63.200 0.004 0.000 0.937 101 S HN 0.629 nan 8.310 nan 0.000 0.490 102 I N 3.245 123.805 120.570 -0.016 0.000 2.377 102 I HA 0.400 4.570 4.170 0.000 0.000 0.293 102 I C -0.399 175.699 176.117 -0.031 0.000 0.987 102 I CA -0.366 60.918 61.300 -0.027 0.000 1.185 102 I CB 1.173 39.156 38.000 -0.027 0.000 1.341 102 I HN 0.559 nan 8.210 nan 0.000 0.455 103 Q N 8.656 128.431 119.800 -0.042 0.000 2.347 103 Q HA 0.536 4.876 4.340 0.000 0.000 0.271 103 Q C -2.592 173.375 176.000 -0.055 0.000 1.064 103 Q CA -2.147 53.632 55.803 -0.042 0.000 0.800 103 Q CB 2.463 31.182 28.738 -0.033 0.000 1.304 103 Q HN 0.321 nan 8.270 nan 0.000 0.438 104 P HA -0.032 nan 4.420 nan 0.000 0.264 104 P C -0.736 176.533 177.300 -0.052 0.000 1.193 104 P CA 0.072 63.134 63.100 -0.065 0.000 0.763 104 P CB 0.548 32.205 31.700 -0.072 0.000 0.810 105 C N 6.587 125.854 119.300 -0.056 0.000 3.335 105 C HA 0.359 4.820 4.460 0.000 0.000 0.217 105 C C -1.598 173.375 174.990 -0.029 0.000 1.330 105 C CA -1.648 57.343 59.018 -0.045 0.000 1.470 105 C CB -0.355 27.326 27.740 -0.098 0.000 1.806 105 C HN 0.437 nan 8.230 nan 0.000 0.468 106 P HA 0.114 nan 4.420 nan 0.000 0.240 106 P C 0.113 177.406 177.300 -0.013 0.000 1.190 106 P CA 0.998 64.088 63.100 -0.017 0.000 0.781 106 P CB 0.042 31.734 31.700 -0.013 0.000 0.931 107 D N 0.649 121.056 120.400 0.013 0.000 2.631 107 D HA 0.174 4.815 4.640 0.000 0.000 0.227 107 D C -0.642 175.692 176.300 0.057 0.000 1.146 107 D CA 0.139 54.152 54.000 0.023 0.000 1.009 107 D CB 0.263 41.084 40.800 0.036 0.000 1.057 107 D HN -0.082 nan 8.370 nan 0.000 0.509 108 V N 2.245 122.159 119.914 -0.001 0.000 2.419 108 V HA 0.237 4.357 4.120 0.000 0.000 0.287 108 V C 0.274 176.282 176.094 -0.144 0.000 1.017 108 V CA -1.037 61.267 62.300 0.006 0.000 0.844 108 V CB 1.825 33.663 31.823 0.025 0.000 1.011 108 V HN 0.004 nan 8.190 nan 0.000 0.429 109 K N 2.984 123.319 120.400 -0.108 0.000 2.202 109 K HA 0.501 4.822 4.320 0.000 0.000 0.264 109 K C -0.622 175.886 176.600 -0.153 0.000 1.010 109 K CA -0.243 55.950 56.287 -0.158 0.000 0.940 109 K CB 0.393 32.871 32.500 -0.038 0.000 0.983 109 K HN 0.542 nan 8.250 nan 0.000 0.475 110 Y N 0.449 120.785 120.300 0.061 0.000 2.569 110 Y HA 0.166 4.716 4.550 0.001 0.000 0.332 110 Y C 1.399 177.319 175.900 0.032 0.000 1.120 110 Y CA -0.154 57.984 58.100 0.064 0.000 1.416 110 Y CB 0.277 38.786 38.460 0.081 0.000 1.210 110 Y HN 0.605 nan 8.280 nan 0.000 0.528 111 G N 3.008 111.897 108.800 0.148 0.000 2.467 111 G HA2 0.236 4.196 3.960 0.000 0.000 0.257 111 G HA3 0.236 4.196 3.960 0.000 0.000 0.257 111 G C 0.462 175.394 174.900 0.055 0.000 1.227 111 G CA -0.725 44.420 45.100 0.075 0.000 0.835 111 G HN 0.595 nan 8.290 nan 0.000 0.556 112 K N 0.698 121.119 120.400 0.035 0.000 2.380 112 K HA 0.159 4.480 4.320 0.000 0.000 0.198 112 K C 0.708 177.305 176.600 -0.005 0.000 1.070 112 K CA 0.194 56.487 56.287 0.010 0.000 1.040 112 K CB 1.182 33.694 32.500 0.020 0.000 0.903 112 K HN 0.471 nan 8.250 nan 0.000 0.549 113 R N 1.108 121.622 120.500 0.024 0.000 2.531 113 R HA 0.401 4.741 4.340 0.000 0.000 0.293 113 R C -0.755 175.598 176.300 0.089 0.000 1.124 113 R CA -0.367 55.777 56.100 0.073 0.000 0.945 113 R CB 1.403 31.791 30.300 0.147 0.000 1.195 113 R HN 0.041 nan 8.270 nan 0.000 0.433 114 I N -1.658 118.950 120.570 0.063 0.000 2.530 114 I HA 0.515 4.686 4.170 0.000 0.000 0.297 114 I C -0.704 175.527 176.117 0.189 0.000 1.011 114 I CA -0.920 60.441 61.300 0.101 0.000 1.107 114 I CB 2.077 40.088 38.000 0.019 0.000 1.285 114 I HN 0.527 nan 8.210 nan 0.000 0.436 115 H N 5.131 124.280 119.070 0.132 0.000 2.638 115 H HA 0.703 5.259 4.556 0.001 0.000 0.317 115 H C -1.103 174.326 175.328 0.169 0.000 1.006 115 H CA -0.705 55.432 56.048 0.148 0.000 1.222 115 H CB 1.461 31.277 29.762 0.090 0.000 1.419 115 H HN 0.679 nan 8.280 nan 0.000 0.489 116 V N 3.872 123.944 119.914 0.264 0.000 2.555 116 V HA 0.601 4.721 4.120 0.000 0.000 0.302 116 V C -0.882 175.410 176.094 0.330 0.000 1.038 116 V CA -0.908 61.595 62.300 0.340 0.000 0.887 116 V CB 1.804 33.869 31.823 0.403 0.000 0.991 116 V HN 0.605 nan 8.190 nan 0.000 0.434 117 L N 5.379 126.790 121.223 0.313 0.000 2.386 117 L HA 0.656 4.996 4.340 0.000 0.000 0.271 117 L C -2.433 174.459 176.870 0.036 0.000 0.993 117 L CA -1.883 53.081 54.840 0.207 0.000 0.819 117 L CB 3.250 45.401 42.059 0.153 0.000 1.294 117 L HN 0.494 nan 8.230 nan 0.000 0.414 118 P HA 0.231 nan 4.420 nan 0.000 0.274 118 P C -0.806 176.263 177.300 -0.385 0.000 1.246 118 P CA -0.250 62.454 63.100 -0.660 0.000 0.795 118 P CB 1.132 32.391 31.700 -0.734 0.000 1.006 119 I N 1.986 122.300 120.570 -0.426 0.000 2.315 119 I HA 0.055 4.225 4.170 0.000 0.000 0.291 119 I C 1.762 177.741 176.117 -0.230 0.000 1.006 119 I CA -0.236 60.906 61.300 -0.263 0.000 1.265 119 I CB 0.828 38.691 38.000 -0.228 0.000 1.387 119 I HN 0.398 nan 8.210 nan 0.000 0.475 120 D N 4.821 125.124 120.400 -0.162 0.000 2.191 120 D HA -0.341 4.300 4.640 0.000 0.000 0.190 120 D C 1.271 177.497 176.300 -0.125 0.000 1.007 120 D CA 2.209 56.132 54.000 -0.129 0.000 0.865 120 D CB -0.392 40.355 40.800 -0.089 0.000 0.929 120 D HN 0.695 nan 8.370 nan 0.000 0.447 121 D N 0.075 120.404 120.400 -0.118 0.000 2.312 121 D HA -0.113 4.527 4.640 0.000 0.000 0.211 121 D C 1.587 177.817 176.300 -0.117 0.000 0.964 121 D CA 1.649 55.589 54.000 -0.101 0.000 0.877 121 D CB -1.065 39.687 40.800 -0.081 0.000 0.924 121 D HN 0.447 nan 8.370 nan 0.000 0.515 122 T N -2.591 111.865 114.554 -0.165 0.000 3.244 122 T HA 0.316 4.666 4.350 0.000 0.000 0.254 122 T C 0.916 175.475 174.700 -0.236 0.000 1.024 122 T CA -0.339 61.645 62.100 -0.194 0.000 0.920 122 T CB 0.252 68.974 68.868 -0.243 0.000 1.042 122 T HN 0.017 nan 8.240 nan 0.000 0.572 123 V N 0.004 119.801 119.914 -0.195 0.000 3.544 123 V HA 0.286 4.407 4.120 0.000 0.000 0.298 123 V C -0.300 175.728 176.094 -0.111 0.000 1.580 123 V CA -0.455 61.729 62.300 -0.195 0.000 1.122 123 V CB 0.502 32.167 31.823 -0.263 0.000 0.951 123 V HN 0.467 nan 8.190 nan 0.000 0.448 124 E N 1.384 121.533 120.200 -0.085 0.000 2.351 124 E HA 0.482 4.832 4.350 0.000 0.000 0.266 124 E C 0.514 177.094 176.600 -0.033 0.000 1.031 124 E CA 0.987 57.355 56.400 -0.053 0.000 0.911 124 E CB 0.673 30.345 29.700 -0.047 0.000 0.986 124 E HN 0.626 nan 8.360 nan 0.000 0.446 125 G N 3.319 112.107 108.800 -0.020 0.000 2.895 125 G HA2 -0.186 3.774 3.960 0.000 0.000 0.686 125 G HA3 -0.186 3.774 3.960 0.000 0.000 0.686 125 G C -0.182 174.725 174.900 0.011 0.000 1.108 125 G CA -0.759 44.340 45.100 -0.003 0.000 0.761 125 G HN 0.774 nan 8.290 nan 0.000 0.611 126 I N 0.958 121.541 120.570 0.022 0.000 3.563 126 I HA -0.259 3.911 4.170 0.000 0.000 0.126 126 I C 1.662 177.816 176.117 0.062 0.000 0.984 126 I CA 2.088 63.412 61.300 0.041 0.000 2.746 126 I CB -0.457 37.570 38.000 0.044 0.000 1.175 126 I HN 1.019 nan 8.210 nan 0.000 0.343 127 T N 5.147 119.735 114.554 0.056 0.000 2.777 127 T HA 0.065 4.415 4.350 0.000 0.000 0.266 127 T C 1.781 176.553 174.700 0.119 0.000 1.040 127 T CA 1.422 63.568 62.100 0.077 0.000 1.141 127 T CB -0.594 68.309 68.868 0.059 0.000 0.868 127 T HN 1.292 nan 8.240 nan 0.000 0.444 128 G N 2.350 111.206 108.800 0.092 0.000 3.434 128 G HA2 -0.359 3.601 3.960 0.000 0.000 0.343 128 G HA3 -0.359 3.601 3.960 0.000 0.000 0.343 128 G C 0.247 175.209 174.900 0.103 0.000 1.240 128 G CA 0.738 45.891 45.100 0.089 0.000 0.996 128 G HN 0.720 nan 8.290 nan 0.000 0.650 129 N N -0.040 118.744 118.700 0.139 0.000 2.578 129 N HA 0.349 5.089 4.740 0.000 0.000 0.282 129 N C 1.063 176.723 175.510 0.250 0.000 1.119 129 N CA -0.125 53.027 53.050 0.171 0.000 0.948 129 N CB 1.430 40.007 38.487 0.150 0.000 1.546 129 N HN 0.268 nan 8.380 nan 0.000 0.525 130 L N 2.470 123.871 121.223 0.296 0.000 2.056 130 L HA -0.029 4.311 4.340 0.000 0.000 0.207 130 L C 2.124 179.251 176.870 0.428 0.000 1.078 130 L CA 1.297 56.389 54.840 0.420 0.000 0.749 130 L CB -0.347 41.930 42.059 0.365 0.000 0.901 130 L HN 0.539 nan 8.230 nan 0.000 0.433 131 F N 0.881 120.945 119.950 0.190 0.000 2.186 131 F HA -0.194 4.333 4.527 0.000 0.000 0.299 131 F C 2.477 178.344 175.800 0.113 0.000 1.090 131 F CA 1.527 59.604 58.000 0.128 0.000 1.307 131 F CB 0.144 39.190 39.000 0.076 0.000 1.019 131 F HN -0.012 nan 8.300 nan 0.000 0.489 132 E N 0.156 120.354 120.200 -0.003 0.000 2.028 132 E HA -0.111 4.239 4.350 0.000 0.000 0.190 132 E C 2.089 178.589 176.600 -0.166 0.000 0.984 132 E CA 1.711 58.025 56.400 -0.143 0.000 0.800 132 E CB -0.418 29.298 29.700 0.026 0.000 0.758 132 E HN 0.260 nan 8.360 nan 0.000 0.448 133 V N -0.171 119.688 119.914 -0.092 0.000 2.453 133 V HA -0.169 3.951 4.120 0.000 0.000 0.247 133 V C 1.438 177.260 176.094 -0.455 0.000 1.048 133 V CA 1.717 63.842 62.300 -0.292 0.000 1.049 133 V CB -0.444 31.157 31.823 -0.369 0.000 0.672 133 V HN 0.297 nan 8.190 nan 0.000 0.457 134 Y N -1.160 119.127 120.300 -0.022 0.000 2.569 134 Y HA 0.267 4.817 4.550 0.001 0.000 0.278 134 Y C 2.009 177.842 175.900 -0.111 0.000 1.130 134 Y CA 0.244 58.335 58.100 -0.016 0.000 1.280 134 Y CB -0.274 38.261 38.460 0.125 0.000 1.379 134 Y HN -0.025 nan 8.280 nan 0.000 0.508 135 L N 0.286 121.507 121.223 -0.002 0.000 2.109 135 L HA -0.098 4.243 4.340 0.000 0.000 0.207 135 L C 2.379 179.241 176.870 -0.014 0.000 1.086 135 L CA 1.283 56.130 54.840 0.011 0.000 0.760 135 L CB -0.370 41.794 42.059 0.175 0.000 0.910 135 L HN 0.112 nan 8.230 nan 0.000 0.437 136 K N 0.379 120.500 120.400 -0.465 0.000 2.009 136 K HA -0.157 4.163 4.320 0.000 0.000 0.210 136 K C -0.527 175.976 176.600 -0.161 0.000 1.049 136 K CA 1.664 57.671 56.287 -0.466 0.000 0.929 136 K CB -0.846 31.180 32.500 -0.790 0.000 0.714 136 K HN 0.199 nan 8.250 nan 0.000 0.440 137 P HA -0.170 nan 4.420 nan 0.000 0.222 137 P C 1.007 178.272 177.300 -0.057 0.000 1.147 137 P CA 1.128 64.175 63.100 -0.088 0.000 0.790 137 P CB -0.117 31.530 31.700 -0.089 0.000 0.780 138 Y N -0.459 119.714 120.300 -0.213 0.000 2.314 138 Y HA -0.033 4.517 4.550 0.001 0.000 0.293 138 Y C 1.621 177.240 175.900 -0.469 0.000 1.129 138 Y CA 1.451 59.335 58.100 -0.361 0.000 1.201 138 Y CB -0.390 37.784 38.460 -0.476 0.000 0.999 138 Y HN -0.253 nan 8.280 nan 0.000 0.541 139 F N -1.072 118.803 119.950 -0.124 0.000 2.717 139 F HA 0.196 4.723 4.527 0.000 0.000 0.297 139 F C 0.326 176.017 175.800 -0.182 0.000 1.113 139 F CA -0.516 57.368 58.000 -0.193 0.000 1.319 139 F CB -0.229 38.726 39.000 -0.074 0.000 1.097 139 F HN -0.193 nan 8.300 nan 0.000 0.595 140 L N 2.286 123.514 121.223 0.008 0.000 2.700 140 L HA -0.034 4.307 4.340 0.000 0.000 0.272 140 L C 0.989 177.815 176.870 -0.074 0.000 1.176 140 L CA 0.279 55.095 54.840 -0.041 0.000 0.961 140 L CB -0.420 41.608 42.059 -0.052 0.000 1.249 140 L HN 0.281 nan 8.230 nan 0.000 0.487 141 E N 1.936 122.061 120.200 -0.124 0.000 3.547 141 E HA -0.351 4.000 4.350 0.000 0.000 0.300 141 E C 1.191 177.751 176.600 -0.066 0.000 0.857 141 E CA 1.091 57.408 56.400 -0.139 0.000 1.039 141 E CB -1.606 28.076 29.700 -0.030 0.000 1.524 141 E HN 0.848 nan 8.360 nan 0.000 0.457 142 A N -0.393 122.376 122.820 -0.085 0.000 2.067 142 A HA -0.009 4.311 4.320 0.000 0.000 0.217 142 A C 0.602 178.251 177.584 0.107 0.000 1.156 142 A CA 0.970 52.994 52.037 -0.022 0.000 0.683 142 A CB -0.415 18.503 19.000 -0.137 0.000 0.808 142 A HN 0.353 nan 8.150 nan 0.000 0.455 143 Y N -0.534 119.791 120.300 0.042 0.000 3.037 143 Y HA -0.224 4.326 4.550 0.000 0.000 0.204 143 Y C 0.596 176.534 175.900 0.063 0.000 1.275 143 Y CA 0.534 58.682 58.100 0.080 0.000 1.066 143 Y CB -1.788 36.732 38.460 0.099 0.000 1.305 143 Y HN 0.379 nan 8.280 nan 0.000 0.499 144 R N 2.046 122.634 120.500 0.147 0.000 2.347 144 R HA 0.195 4.535 4.340 0.000 0.000 0.304 144 R C -2.235 174.133 176.300 0.115 0.000 1.072 144 R CA -1.479 54.681 56.100 0.100 0.000 0.980 144 R CB 0.460 30.813 30.300 0.089 0.000 0.986 144 R HN 0.043 nan 8.270 nan 0.000 0.448 145 P HA 0.174 nan 4.420 nan 0.000 0.286 145 P C -0.743 176.601 177.300 0.074 0.000 1.269 145 P CA -0.159 62.982 63.100 0.067 0.000 0.787 145 P CB 0.657 32.371 31.700 0.024 0.000 0.920 146 I N -0.353 120.280 120.570 0.105 0.000 2.769 146 I HA 0.654 4.824 4.170 0.000 0.000 0.298 146 I C -0.531 175.688 176.117 0.170 0.000 1.128 146 I CA -1.405 59.973 61.300 0.130 0.000 1.031 146 I CB 3.035 41.125 38.000 0.149 0.000 1.235 146 I HN 0.093 nan 8.210 nan 0.000 0.423 147 R N 2.774 123.382 120.500 0.180 0.000 2.668 147 R HA 0.419 4.759 4.340 0.000 0.000 0.279 147 R C -0.456 175.964 176.300 0.201 0.000 0.976 147 R CA -1.051 55.181 56.100 0.221 0.000 0.978 147 R CB 1.746 32.159 30.300 0.188 0.000 1.133 147 R HN 0.742 nan 8.270 nan 0.000 0.484 148 K N 0.646 121.154 120.400 0.180 0.000 2.491 148 K HA -0.038 4.282 4.320 0.000 0.000 0.279 148 K C 0.496 177.176 176.600 0.134 0.000 1.026 148 K CA 1.619 57.992 56.287 0.143 0.000 1.070 148 K CB 0.192 32.753 32.500 0.101 0.000 0.887 148 K HN 0.836 nan 8.250 nan 0.000 0.481 149 G N 3.091 111.971 108.800 0.133 0.000 2.175 149 G HA2 -0.212 3.748 3.960 0.000 0.000 0.244 149 G HA3 -0.212 3.748 3.960 0.000 0.000 0.244 149 G C -0.476 174.499 174.900 0.125 0.000 0.982 149 G CA 0.078 45.241 45.100 0.106 0.000 0.641 149 G HN 0.720 nan 8.290 nan 0.000 0.527 150 D N 0.453 120.963 120.400 0.184 0.000 2.458 150 D HA 0.420 5.060 4.640 0.000 0.000 0.243 150 D C 0.627 177.075 176.300 0.247 0.000 1.146 150 D CA 0.340 54.479 54.000 0.232 0.000 0.877 150 D CB 0.680 41.667 40.800 0.312 0.000 1.176 150 D HN 0.283 nan 8.370 nan 0.000 0.461 151 I N 4.250 124.919 120.570 0.166 0.000 2.330 151 I HA 0.251 4.422 4.170 0.000 0.000 0.286 151 I C -0.238 175.954 176.117 0.125 0.000 1.025 151 I CA -0.798 60.541 61.300 0.064 0.000 1.197 151 I CB 0.085 38.085 38.000 -0.000 0.000 1.358 151 I HN 0.132 nan 8.210 nan 0.000 0.467 152 F N 5.789 125.785 119.950 0.077 0.000 2.538 152 F HA 0.846 5.373 4.527 0.000 0.000 0.325 152 F C -1.075 174.720 175.800 -0.008 0.000 1.066 152 F CA -1.524 56.496 58.000 0.032 0.000 0.946 152 F CB 0.998 40.017 39.000 0.032 0.000 1.199 152 F HN 0.220 nan 8.300 nan 0.000 0.473 153 L N 3.191 124.477 121.223 0.106 0.000 2.322 153 L HA 0.811 5.151 4.340 0.000 0.000 0.279 153 L C -1.106 175.784 176.870 0.033 0.000 1.036 153 L CA -0.658 54.197 54.840 0.026 0.000 0.807 153 L CB 1.741 43.822 42.059 0.036 0.000 1.226 153 L HN 0.651 nan 8.230 nan 0.000 0.433 154 V N 4.669 124.614 119.914 0.051 0.000 2.709 154 V HA 0.611 4.731 4.120 0.000 0.000 0.308 154 V C -0.470 175.753 176.094 0.214 0.000 1.062 154 V CA -0.852 61.492 62.300 0.075 0.000 0.901 154 V CB 1.972 33.813 31.823 0.031 0.000 1.003 154 V HN 0.698 nan 8.190 nan 0.000 0.425 155 R N 2.479 123.096 120.500 0.195 0.000 2.407 155 R HA 0.756 5.096 4.340 0.000 0.000 0.303 155 R C 0.070 176.458 176.300 0.147 0.000 0.981 155 R CA -0.613 55.597 56.100 0.183 0.000 0.905 155 R CB 1.879 32.241 30.300 0.103 0.000 1.099 155 R HN 0.925 nan 8.270 nan 0.000 0.459 156 G N 0.830 109.704 108.800 0.124 0.000 2.770 156 G HA2 0.434 4.394 3.960 0.000 0.000 0.298 156 G HA3 0.434 4.394 3.960 0.000 0.000 0.298 156 G C 0.480 175.298 174.900 -0.136 0.000 1.534 156 G CA 0.045 45.010 45.100 -0.224 0.000 1.046 156 G HN 0.814 nan 8.290 nan 0.000 0.548 157 G N 3.223 111.974 108.800 -0.081 0.000 2.686 157 G HA2 -0.414 3.547 3.960 0.000 0.000 0.329 157 G HA3 -0.414 3.547 3.960 0.000 0.000 0.329 157 G C 1.882 176.789 174.900 0.012 0.000 1.187 157 G CA 2.211 47.287 45.100 -0.040 0.000 0.965 157 G HN 1.644 nan 8.290 nan 0.000 0.549 158 M N 0.710 120.328 119.600 0.030 0.000 2.082 158 M HA 0.074 4.554 4.480 0.000 0.000 0.258 158 M C 1.390 177.728 176.300 0.064 0.000 1.069 158 M CA 2.757 58.086 55.300 0.048 0.000 1.102 158 M CB -0.499 32.134 32.600 0.056 0.000 1.336 158 M HN 0.960 nan 8.290 nan 0.000 0.404 159 R N -0.052 120.516 120.500 0.112 0.000 2.762 159 R HA 0.800 5.140 4.340 0.000 0.000 0.271 159 R C -1.983 174.423 176.300 0.176 0.000 1.038 159 R CA -0.603 55.560 56.100 0.105 0.000 0.906 159 R CB 1.001 31.336 30.300 0.058 0.000 1.259 159 R HN 0.085 nan 8.270 nan 0.000 0.457 160 A N 1.019 123.898 122.820 0.098 0.000 2.317 160 A HA 0.655 4.975 4.320 0.000 0.000 0.327 160 A C -0.738 176.823 177.584 -0.039 0.000 1.178 160 A CA -0.748 51.344 52.037 0.092 0.000 0.817 160 A CB 1.616 20.654 19.000 0.063 0.000 1.189 160 A HN 0.361 nan 8.150 nan 0.000 0.489 161 V N 2.337 122.181 119.914 -0.117 0.000 2.555 161 V HA 0.340 4.460 4.120 0.000 0.000 0.302 161 V C 0.049 175.953 176.094 -0.316 0.000 1.038 161 V CA -0.595 61.488 62.300 -0.360 0.000 0.887 161 V CB 1.596 32.975 31.823 -0.740 0.000 0.991 161 V HN 1.008 nan 8.190 nan 0.000 0.434 162 E N 2.730 122.677 120.200 -0.422 0.000 2.283 162 E HA 0.572 4.922 4.350 0.000 0.000 0.278 162 E C -1.515 174.676 176.600 -0.683 0.000 1.027 162 E CA -0.168 56.000 56.400 -0.388 0.000 0.843 162 E CB 1.277 30.816 29.700 -0.268 0.000 1.062 162 E HN 0.517 nan 8.360 nan 0.000 0.401 163 F N 1.594 121.159 119.950 -0.642 0.000 2.563 163 F HA 0.377 4.904 4.527 0.001 0.000 0.316 163 F C 0.140 175.566 175.800 -0.622 0.000 1.076 163 F CA -0.929 56.662 58.000 -0.683 0.000 0.921 163 F CB 1.722 40.120 39.000 -1.004 0.000 1.209 163 F HN 0.149 nan 8.300 nan 0.000 0.462 164 K N 1.838 122.182 120.400 -0.093 0.000 2.182 164 K HA 0.636 4.956 4.320 0.000 0.000 0.262 164 K C -1.398 175.312 176.600 0.184 0.000 0.957 164 K CA -0.612 55.691 56.287 0.025 0.000 0.842 164 K CB 1.607 34.120 32.500 0.022 0.000 1.099 164 K HN 0.495 nan 8.250 nan 0.000 0.438 165 V N 5.631 125.713 119.914 0.280 0.000 2.387 165 V HA 0.019 4.139 4.120 0.000 0.000 0.260 165 V C 1.027 177.243 176.094 0.204 0.000 1.054 165 V CA -0.247 62.245 62.300 0.319 0.000 0.967 165 V CB 0.880 32.914 31.823 0.352 0.000 1.036 165 V HN 0.710 nan 8.190 nan 0.000 0.481 166 V N 3.040 123.071 119.914 0.195 0.000 2.725 166 V HA 0.152 4.273 4.120 0.000 0.000 0.247 166 V C 0.681 176.812 176.094 0.061 0.000 1.058 166 V CA 0.881 63.241 62.300 0.100 0.000 1.080 166 V CB -0.010 31.844 31.823 0.053 0.000 0.713 166 V HN 0.849 nan 8.190 nan 0.000 0.465 167 E N -0.050 120.218 120.200 0.113 0.000 2.352 167 E HA 0.523 4.873 4.350 0.000 0.000 0.280 167 E C -0.655 176.014 176.600 0.116 0.000 0.930 167 E CA -0.282 56.167 56.400 0.081 0.000 0.765 167 E CB 2.054 31.770 29.700 0.027 0.000 1.219 167 E HN 0.348 nan 8.360 nan 0.000 0.434 168 T N 0.206 114.807 114.554 0.079 0.000 2.926 168 T HA 0.455 4.805 4.350 0.000 0.000 0.289 168 T C 0.339 175.065 174.700 0.044 0.000 1.054 168 T CA -0.647 61.495 62.100 0.070 0.000 1.015 168 T CB 1.685 70.594 68.868 0.068 0.000 1.167 168 T HN 0.306 nan 8.240 nan 0.000 0.526 169 D N 0.633 121.056 120.400 0.039 0.000 2.154 169 D HA 0.217 4.858 4.640 0.000 0.000 0.211 169 D C -1.547 174.757 176.300 0.008 0.000 0.977 169 D CA 0.389 54.407 54.000 0.030 0.000 0.869 169 D CB -1.188 39.634 40.800 0.037 0.000 1.022 169 D HN 0.451 nan 8.370 nan 0.000 0.461 170 P HA 0.165 nan 4.420 nan 0.000 0.272 170 P C 0.614 177.867 177.300 -0.079 0.000 1.240 170 P CA -0.084 62.989 63.100 -0.045 0.000 0.791 170 P CB 0.990 32.657 31.700 -0.055 0.000 0.978 171 S N 2.046 117.673 115.700 -0.122 0.000 2.414 171 S HA -0.151 4.319 4.470 0.000 0.000 0.225 171 S C -0.755 173.769 174.600 -0.126 0.000 1.041 171 S CA 2.111 60.239 58.200 -0.120 0.000 1.114 171 S CB -1.743 61.382 63.200 -0.124 0.000 1.064 171 S HN 0.625 nan 8.310 nan 0.000 0.420 172 P HA 0.244 nan 4.420 nan 0.000 0.233 172 P C -0.509 176.787 177.300 -0.007 0.000 1.157 172 P CA 0.394 63.415 63.100 -0.132 0.000 0.876 172 P CB 0.226 31.843 31.700 -0.138 0.000 0.947 173 Y N -0.715 119.601 120.300 0.027 0.000 2.562 173 Y HA 0.688 5.238 4.550 0.000 0.000 0.345 173 Y C -0.485 175.424 175.900 0.014 0.000 1.045 173 Y CA -1.977 56.139 58.100 0.027 0.000 1.028 173 Y CB 0.631 39.106 38.460 0.025 0.000 1.297 173 Y HN 0.057 nan 8.280 nan 0.000 0.463 174 C N 0.698 120.121 119.300 0.206 0.000 3.288 174 C HA 0.802 5.262 4.460 0.000 0.000 0.318 174 C C -0.847 174.204 174.990 0.102 0.000 1.356 174 C CA -1.227 57.861 59.018 0.116 0.000 1.359 174 C CB 0.868 28.649 27.740 0.068 0.000 1.688 174 C HN 0.977 nan 8.230 nan 0.000 0.467 175 I N 2.161 122.776 120.570 0.075 0.000 2.371 175 I HA 0.278 4.448 4.170 0.000 0.000 0.290 175 I C 0.155 176.363 176.117 0.153 0.000 1.028 175 I CA -0.218 61.158 61.300 0.126 0.000 1.345 175 I CB 1.524 39.605 38.000 0.134 0.000 1.407 175 I HN 0.566 nan 8.210 nan 0.000 0.501 176 V N 7.579 127.541 119.914 0.079 0.000 2.229 176 V HA 0.215 4.335 4.120 0.000 0.000 0.245 176 V C 0.936 176.986 176.094 -0.073 0.000 1.243 176 V CA -0.375 61.886 62.300 -0.065 0.000 1.176 176 V CB -0.396 31.239 31.823 -0.314 0.000 1.323 176 V HN 0.831 nan 8.190 nan 0.000 0.499 177 A N 7.445 130.254 122.820 -0.018 0.000 2.313 177 A HA 0.529 4.849 4.320 0.000 0.000 0.261 177 A C -0.534 176.883 177.584 -0.280 0.000 1.090 177 A CA -1.228 50.663 52.037 -0.242 0.000 0.807 177 A CB -0.022 18.937 19.000 -0.067 0.000 1.055 177 A HN 0.569 nan 8.150 nan 0.000 0.492 178 P HA -0.142 nan 4.420 nan 0.000 0.226 178 P C 0.058 177.285 177.300 -0.122 0.000 1.146 178 P CA 1.472 64.455 63.100 -0.194 0.000 0.773 178 P CB -0.044 31.549 31.700 -0.178 0.000 0.772 179 D N -0.756 119.571 120.400 -0.121 0.000 2.144 179 D HA -0.067 4.573 4.640 0.000 0.000 0.200 179 D C 0.396 176.650 176.300 -0.077 0.000 0.978 179 D CA 0.959 54.910 54.000 -0.081 0.000 0.833 179 D CB -0.781 39.980 40.800 -0.064 0.000 0.961 179 D HN 0.142 nan 8.370 nan 0.000 0.470 180 T N 1.229 115.729 114.554 -0.090 0.000 2.829 180 T HA 0.157 4.507 4.350 0.000 0.000 0.293 180 T C 0.252 174.862 174.700 -0.150 0.000 0.970 180 T CA -0.326 61.711 62.100 -0.106 0.000 1.168 180 T CB 1.146 69.929 68.868 -0.142 0.000 0.911 180 T HN -0.204 nan 8.240 nan 0.000 0.535 181 V N 5.533 125.341 119.914 -0.176 0.000 2.470 181 V HA 0.192 4.312 4.120 0.000 0.000 0.276 181 V C 0.498 176.379 176.094 -0.355 0.000 1.040 181 V CA -0.290 61.821 62.300 -0.316 0.000 1.008 181 V CB 0.186 31.776 31.823 -0.389 0.000 0.990 181 V HN 0.749 nan 8.190 nan 0.000 0.477 182 I N 5.778 126.112 120.570 -0.393 0.000 2.313 182 I HA 0.275 4.445 4.170 0.000 0.000 0.286 182 I C 0.355 176.262 176.117 -0.349 0.000 1.091 182 I CA -0.221 60.918 61.300 -0.268 0.000 1.216 182 I CB -0.006 37.956 38.000 -0.063 0.000 1.434 182 I HN 0.565 nan 8.210 nan 0.000 0.487 183 H N 4.930 123.884 119.070 -0.194 0.000 2.722 183 H HA 0.145 4.702 4.556 0.001 0.000 0.328 183 H C 0.583 175.738 175.328 -0.287 0.000 1.067 183 H CA -0.099 55.791 56.048 -0.263 0.000 1.447 183 H CB 1.508 31.104 29.762 -0.277 0.000 1.469 183 H HN 0.829 nan 8.280 nan 0.000 0.544 184 C N 0.512 119.750 119.300 -0.102 0.000 3.772 184 C HA 0.198 4.658 4.460 0.000 0.000 0.293 184 C C 0.057 175.041 174.990 -0.011 0.000 1.659 184 C CA -0.818 58.184 59.018 -0.026 0.000 1.810 184 C CB -0.993 26.844 27.740 0.162 0.000 3.059 184 C HN 0.706 nan 8.230 nan 0.000 0.617 185 E N 2.153 122.316 120.200 -0.061 0.000 2.413 185 E HA 0.537 4.887 4.350 0.000 0.000 0.263 185 E C 0.660 177.283 176.600 0.039 0.000 1.015 185 E CA 1.034 57.432 56.400 -0.003 0.000 0.916 185 E CB -0.092 29.610 29.700 0.004 0.000 0.947 185 E HN 1.235 nan 8.360 nan 0.000 0.440 186 G N 0.922 109.765 108.800 0.072 0.000 2.359 186 G HA2 0.020 3.980 3.960 0.000 0.000 0.303 186 G HA3 0.020 3.980 3.960 0.000 0.000 0.303 186 G C -1.313 173.626 174.900 0.066 0.000 1.293 186 G CA -1.066 44.095 45.100 0.101 0.000 0.964 186 G HN 0.467 nan 8.290 nan 0.000 0.531 187 E N 1.081 121.313 120.200 0.054 0.000 2.376 187 E HA 0.301 4.652 4.350 0.000 0.000 0.266 187 E C -2.041 174.565 176.600 0.011 0.000 1.009 187 E CA -1.030 55.384 56.400 0.022 0.000 0.902 187 E CB 0.855 30.562 29.700 0.011 0.000 0.972 187 E HN 0.153 nan 8.360 nan 0.000 0.439 188 P HA 0.005 nan 4.420 nan 0.000 0.263 188 P C -0.079 177.189 177.300 -0.054 0.000 1.195 188 P CA -0.081 62.986 63.100 -0.055 0.000 0.762 188 P CB 0.292 31.946 31.700 -0.078 0.000 0.799 189 I N 3.529 124.063 120.570 -0.061 0.000 2.741 189 I HA -0.059 4.111 4.170 0.000 0.000 0.288 189 I C 1.161 177.235 176.117 -0.072 0.000 1.192 189 I CA 0.407 61.673 61.300 -0.057 0.000 1.426 189 I CB -0.494 37.472 38.000 -0.057 0.000 1.367 189 I HN 0.301 nan 8.210 nan 0.000 0.563 190 K N 5.984 126.350 120.400 -0.056 0.000 2.379 190 K HA 0.018 4.338 4.320 0.000 0.000 0.284 190 K C 1.142 177.705 176.600 -0.061 0.000 1.044 190 K CA -0.287 55.966 56.287 -0.057 0.000 0.974 190 K CB 0.968 33.441 32.500 -0.044 0.000 0.962 190 K HN 0.326 nan 8.250 nan 0.000 0.474 191 R N 3.109 123.568 120.500 -0.068 0.000 2.119 191 R HA -0.219 4.122 4.340 0.000 0.000 0.246 191 R C 1.110 177.378 176.300 -0.054 0.000 1.146 191 R CA 1.941 58.000 56.100 -0.068 0.000 0.962 191 R CB -0.030 30.229 30.300 -0.069 0.000 0.863 191 R HN 0.689 nan 8.270 nan 0.000 0.442 192 E N -0.201 119.971 120.200 -0.048 0.000 2.160 192 E HA -0.197 4.154 4.350 0.000 0.000 0.195 192 E C 1.347 177.922 176.600 -0.041 0.000 0.991 192 E CA 1.366 57.741 56.400 -0.041 0.000 0.810 192 E CB -0.119 29.559 29.700 -0.036 0.000 0.742 192 E HN 0.484 nan 8.360 nan 0.000 0.466 193 D N 0.746 121.120 120.400 -0.042 0.000 2.117 193 D HA -0.140 4.500 4.640 0.000 0.000 0.197 193 D C 1.770 178.045 176.300 -0.042 0.000 0.987 193 D CA 0.926 54.902 54.000 -0.041 0.000 0.829 193 D CB -0.115 40.662 40.800 -0.038 0.000 0.961 193 D HN 0.117 nan 8.370 nan 0.000 0.460 194 E N 0.626 120.800 120.200 -0.044 0.000 2.285 194 E HA -0.065 4.285 4.350 0.000 0.000 0.194 194 E C 1.895 178.470 176.600 -0.042 0.000 0.997 194 E CA 0.323 56.697 56.400 -0.043 0.000 0.845 194 E CB 0.087 29.758 29.700 -0.047 0.000 0.782 194 E HN 0.405 nan 8.360 nan 0.000 0.491 195 E N 0.735 120.909 120.200 -0.043 0.000 2.107 195 E HA -0.171 4.179 4.350 0.000 0.000 0.191 195 E C 1.883 178.457 176.600 -0.043 0.000 0.982 195 E CA 0.682 57.057 56.400 -0.041 0.000 0.809 195 E CB 0.014 29.691 29.700 -0.039 0.000 0.756 195 E HN 0.233 nan 8.360 nan 0.000 0.459 196 E N 0.592 120.765 120.200 -0.044 0.000 2.204 196 E HA -0.086 4.264 4.350 0.000 0.000 0.194 196 E C 2.048 178.615 176.600 -0.055 0.000 0.989 196 E CA 0.839 57.210 56.400 -0.048 0.000 0.824 196 E CB 0.011 29.683 29.700 -0.046 0.000 0.756 196 E HN -0.029 nan 8.360 nan 0.000 0.477 197 S N -0.948 114.721 115.700 -0.050 0.000 2.388 197 S HA 0.052 4.522 4.470 0.000 0.000 0.223 197 S C 1.739 176.308 174.600 -0.052 0.000 1.034 197 S CA 0.347 58.516 58.200 -0.051 0.000 0.963 197 S CB -0.144 63.031 63.200 -0.041 0.000 0.827 197 S HN 0.249 nan 8.310 nan 0.000 0.481 198 L N 1.404 122.600 121.223 -0.045 0.000 2.012 198 L HA -0.078 4.263 4.340 0.000 0.000 0.210 198 L C 0.910 177.748 176.870 -0.053 0.000 1.073 198 L CA 1.284 56.098 54.840 -0.043 0.000 0.748 198 L CB -0.369 41.668 42.059 -0.037 0.000 0.891 198 L HN 0.256 nan 8.230 nan 0.000 0.431 199 N N -0.220 118.446 118.700 -0.056 0.000 2.389 199 N HA 0.049 4.789 4.740 0.000 0.000 0.237 199 N C -0.471 174.993 175.510 -0.076 0.000 1.148 199 N CA 0.005 53.016 53.050 -0.064 0.000 0.854 199 N CB 0.105 38.556 38.487 -0.059 0.000 1.115 199 N HN 0.253 nan 8.380 nan 0.000 0.492 200 E N 0.200 120.349 120.200 -0.084 0.000 2.360 200 E HA 0.078 4.428 4.350 0.000 0.000 0.269 200 E C -0.203 176.324 176.600 -0.121 0.000 1.022 200 E CA -0.199 56.138 56.400 -0.106 0.000 0.887 200 E CB 1.224 30.856 29.700 -0.113 0.000 0.990 200 E HN -0.031 nan 8.360 nan 0.000 0.426 201 V N 2.838 122.669 119.914 -0.139 0.000 2.637 201 V HA 0.287 4.407 4.120 0.000 0.000 0.296 201 V C 0.815 176.796 176.094 -0.189 0.000 1.046 201 V CA 0.270 62.484 62.300 -0.143 0.000 1.066 201 V CB 1.101 32.843 31.823 -0.135 0.000 0.968 201 V HN 0.789 nan 8.190 nan 0.000 0.483 202 G N 2.086 110.786 108.800 -0.167 0.000 3.042 202 G HA2 0.444 4.404 3.960 0.000 0.000 0.278 202 G HA3 0.444 4.404 3.960 0.000 0.000 0.278 202 G C -0.032 174.786 174.900 -0.137 0.000 1.371 202 G CA -0.522 44.437 45.100 -0.236 0.000 1.009 202 G HN 0.601 nan 8.290 nan 0.000 0.523 203 Y N -0.536 119.738 120.300 -0.043 0.000 2.333 203 Y HA -0.115 4.435 4.550 0.000 0.000 0.290 203 Y C 2.315 178.201 175.900 -0.022 0.000 1.144 203 Y CA 0.859 58.943 58.100 -0.027 0.000 1.228 203 Y CB 0.328 38.780 38.460 -0.014 0.000 0.985 203 Y HN 0.286 nan 8.280 nan 0.000 0.542 204 D N -0.202 120.263 120.400 0.108 0.000 2.269 204 D HA -0.133 4.508 4.640 0.000 0.000 0.208 204 D C 1.200 177.514 176.300 0.022 0.000 0.963 204 D CA 1.017 55.049 54.000 0.053 0.000 0.864 204 D CB -0.283 40.531 40.800 0.024 0.000 0.936 204 D HN 0.428 nan 8.370 nan 0.000 0.505 205 D N 0.011 120.413 120.400 0.005 0.000 2.355 205 D HA 0.012 4.653 4.640 0.000 0.000 0.218 205 D C 0.570 176.875 176.300 0.007 0.000 1.004 205 D CA 0.055 54.040 54.000 -0.026 0.000 0.880 205 D CB 0.786 41.549 40.800 -0.061 0.000 0.911 205 D HN 0.246 nan 8.370 nan 0.000 0.528 206 I N 0.118 120.716 120.570 0.047 0.000 2.389 206 I HA 0.498 4.668 4.170 0.000 0.000 0.288 206 I C -0.214 175.936 176.117 0.056 0.000 0.999 206 I CA -0.363 60.975 61.300 0.062 0.000 1.129 206 I CB 1.796 39.846 38.000 0.084 0.000 1.288 206 I HN -0.177 nan 8.210 nan 0.000 0.444 207 G N 3.788 112.618 108.800 0.051 0.000 2.537 207 G HA2 0.538 4.498 3.960 0.000 0.000 0.308 207 G HA3 0.538 4.498 3.960 0.000 0.000 0.308 207 G C 0.363 175.278 174.900 0.026 0.000 1.237 207 G CA -0.570 44.552 45.100 0.038 0.000 0.968 207 G HN 1.522 nan 8.290 nan 0.000 0.481 208 G N -1.621 107.186 108.800 0.013 0.000 2.179 208 G HA2 -0.272 3.688 3.960 0.000 0.000 0.257 208 G HA3 -0.272 3.688 3.960 0.000 0.000 0.257 208 G C 0.640 175.538 174.900 -0.004 0.000 1.010 208 G CA 0.698 45.800 45.100 0.002 0.000 0.736 208 G HN 1.182 nan 8.290 nan 0.000 0.513 209 C N -0.323 118.975 119.300 -0.003 0.000 3.226 209 C HA 0.354 4.814 4.460 0.000 0.000 0.258 209 C C 2.243 177.220 174.990 -0.022 0.000 1.688 209 C CA -0.164 58.848 59.018 -0.010 0.000 1.774 209 C CB -0.543 27.198 27.740 0.001 0.000 3.167 209 C HN 0.623 nan 8.230 nan 0.000 0.509 210 R N 2.481 122.968 120.500 -0.021 0.000 2.112 210 R HA -0.213 4.127 4.340 0.000 0.000 0.242 210 R C 2.212 178.491 176.300 -0.035 0.000 1.137 210 R CA 1.984 58.066 56.100 -0.031 0.000 0.944 210 R CB -0.137 30.151 30.300 -0.020 0.000 0.857 210 R HN 0.658 nan 8.270 nan 0.000 0.435 211 K N 0.164 120.550 120.400 -0.023 0.000 2.211 211 K HA -0.152 4.169 4.320 0.000 0.000 0.203 211 K C 1.862 178.452 176.600 -0.018 0.000 1.050 211 K CA 1.353 57.630 56.287 -0.018 0.000 0.945 211 K CB -0.077 32.418 32.500 -0.010 0.000 0.732 211 K HN 0.163 nan 8.250 nan 0.000 0.451 212 Q N 1.179 120.965 119.800 -0.022 0.000 2.137 212 Q HA 0.100 4.441 4.340 0.000 0.000 0.198 212 Q C 2.137 178.123 176.000 -0.023 0.000 0.960 212 Q CA 0.913 56.706 55.803 -0.017 0.000 0.847 212 Q CB -0.104 28.622 28.738 -0.021 0.000 0.915 212 Q HN 0.238 nan 8.270 nan 0.000 0.448 213 L N -0.128 121.062 121.223 -0.056 0.000 2.093 213 L HA -0.136 4.205 4.340 0.000 0.000 0.208 213 L C 2.298 179.091 176.870 -0.130 0.000 1.085 213 L CA 0.881 55.645 54.840 -0.127 0.000 0.755 213 L CB -0.540 41.396 42.059 -0.205 0.000 0.904 213 L HN 0.249 nan 8.230 nan 0.000 0.435 214 A N -0.476 122.296 122.820 -0.080 0.000 1.902 214 A HA -0.264 4.056 4.320 0.000 0.000 0.217 214 A C 2.215 179.791 177.584 -0.013 0.000 1.181 214 A CA 1.597 53.605 52.037 -0.048 0.000 0.623 214 A CB -0.449 18.535 19.000 -0.027 0.000 0.818 214 A HN 0.462 nan 8.150 nan 0.000 0.443 215 Q N -0.812 118.989 119.800 0.001 0.000 2.084 215 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 215 Q C 2.049 178.075 176.000 0.043 0.000 0.978 215 Q CA 1.525 57.346 55.803 0.030 0.000 0.844 215 Q CB -0.287 28.471 28.738 0.034 0.000 0.898 215 Q HN 0.745 nan 8.270 nan 0.000 0.426 216 I N 0.715 121.305 120.570 0.033 0.000 2.252 216 I HA -0.282 3.888 4.170 0.000 0.000 0.245 216 I C 2.189 178.346 176.117 0.067 0.000 1.102 216 I CA 1.201 62.540 61.300 0.065 0.000 1.385 216 I CB -0.115 37.935 38.000 0.084 0.000 1.064 216 I HN 0.092 nan 8.210 nan 0.000 0.414 217 K N 0.408 120.821 120.400 0.023 0.000 2.097 217 K HA -0.193 4.128 4.320 0.000 0.000 0.206 217 K C 1.980 178.634 176.600 0.090 0.000 1.049 217 K CA 1.370 57.685 56.287 0.046 0.000 0.933 217 K CB -0.147 32.348 32.500 -0.008 0.000 0.717 217 K HN 0.415 nan 8.250 nan 0.000 0.442 218 E N 0.389 120.640 120.200 0.085 0.000 2.047 218 E HA -0.123 4.227 4.350 0.000 0.000 0.191 218 E C 1.961 178.652 176.600 0.152 0.000 0.987 218 E CA 1.248 57.726 56.400 0.130 0.000 0.799 218 E CB 0.026 29.788 29.700 0.105 0.000 0.752 218 E HN 0.250 nan 8.360 nan 0.000 0.449 219 M N -0.380 119.279 119.600 0.098 0.000 2.435 219 M HA -0.050 4.430 4.480 0.000 0.000 0.265 219 M C 1.724 178.037 176.300 0.022 0.000 1.104 219 M CA 0.644 55.978 55.300 0.057 0.000 1.140 219 M CB 0.733 33.364 32.600 0.052 0.000 1.372 219 M HN -0.013 nan 8.290 nan 0.000 0.456 220 V N -1.876 118.076 119.914 0.063 0.000 2.950 220 V HA 0.047 4.168 4.120 0.000 0.000 0.231 220 V C 1.831 177.977 176.094 0.087 0.000 1.205 220 V CA 0.719 63.060 62.300 0.068 0.000 1.239 220 V CB -0.392 31.502 31.823 0.118 0.000 1.050 220 V HN 0.167 nan 8.190 nan 0.000 0.498 221 E N 0.729 121.002 120.200 0.120 0.000 2.072 221 E HA -0.164 4.187 4.350 0.000 0.000 0.191 221 E C 1.967 178.653 176.600 0.144 0.000 0.985 221 E CA 1.260 57.739 56.400 0.133 0.000 0.801 221 E CB -0.287 29.501 29.700 0.147 0.000 0.750 221 E HN 0.374 nan 8.360 nan 0.000 0.452 222 L N 0.406 121.739 121.223 0.183 0.000 2.017 222 L HA -0.044 4.296 4.340 0.000 0.000 0.208 222 L C -1.097 175.975 176.870 0.337 0.000 1.073 222 L CA 1.697 56.711 54.840 0.290 0.000 0.745 222 L CB -0.872 41.384 42.059 0.329 0.000 0.894 222 L HN 0.176 nan 8.230 nan 0.000 0.432 223 P HA -0.076 nan 4.420 nan 0.000 0.225 223 P C 1.835 179.144 177.300 0.016 0.000 1.156 223 P CA 1.231 64.249 63.100 -0.137 0.000 0.787 223 P CB 0.123 31.499 31.700 -0.540 0.000 0.802 224 L N -1.080 120.172 121.223 0.049 0.000 2.102 224 L HA 0.050 4.391 4.340 0.000 0.000 0.202 224 L C 2.403 179.286 176.870 0.021 0.000 1.076 224 L CA 1.140 56.011 54.840 0.052 0.000 0.761 224 L CB -0.307 41.786 42.059 0.057 0.000 0.921 224 L HN -0.210 nan 8.230 nan 0.000 0.444 225 R N -1.274 119.228 120.500 0.004 0.000 2.300 225 R HA 0.081 4.421 4.340 0.000 0.000 0.199 225 R C -0.045 176.036 176.300 -0.364 0.000 0.920 225 R CA 0.314 56.323 56.100 -0.152 0.000 1.046 225 R CB 0.287 30.491 30.300 -0.160 0.000 0.984 225 R HN 0.347 nan 8.270 nan 0.000 0.493 226 H N -0.168 118.977 119.070 0.124 0.000 2.712 226 H HA 0.154 4.711 4.556 0.000 0.000 0.226 226 H C -1.971 173.494 175.328 0.228 0.000 1.422 226 H CA -1.584 54.550 56.048 0.144 0.000 1.270 226 H CB 1.280 31.122 29.762 0.134 0.000 1.891 226 H HN 0.030 nan 8.280 nan 0.000 0.518 227 P HA -0.065 nan 4.420 nan 0.000 0.226 227 P C 1.520 179.003 177.300 0.305 0.000 1.153 227 P CA 0.747 64.029 63.100 0.304 0.000 0.777 227 P CB 0.341 32.189 31.700 0.246 0.000 0.794 228 A N 0.684 123.643 122.820 0.233 0.000 1.917 228 A HA -0.186 4.135 4.320 0.000 0.000 0.219 228 A C 2.371 180.037 177.584 0.136 0.000 1.182 228 A CA 1.489 53.625 52.037 0.165 0.000 0.633 228 A CB -1.633 17.446 19.000 0.131 0.000 0.819 228 A HN 0.152 nan 8.150 nan 0.000 0.448 229 L N -2.096 119.200 121.223 0.123 0.000 2.012 229 L HA -0.227 4.114 4.340 0.000 0.000 0.210 229 L C 2.561 179.362 176.870 -0.113 0.000 1.073 229 L CA 1.761 56.562 54.840 -0.066 0.000 0.748 229 L CB -0.561 41.352 42.059 -0.242 0.000 0.891 229 L HN 0.449 nan 8.230 nan 0.000 0.431 230 F N -0.560 119.421 119.950 0.051 0.000 2.163 230 F HA -0.161 4.366 4.527 0.000 0.000 0.297 230 F C 2.623 178.447 175.800 0.039 0.000 1.094 230 F CA 1.061 59.087 58.000 0.044 0.000 1.290 230 F CB -0.361 38.667 39.000 0.048 0.000 1.017 230 F HN -0.111 nan 8.300 nan 0.000 0.483 231 K N 0.771 121.312 120.400 0.235 0.000 2.097 231 K HA -0.063 4.257 4.320 0.000 0.000 0.206 231 K C 2.183 178.835 176.600 0.086 0.000 1.049 231 K CA 1.242 57.613 56.287 0.140 0.000 0.933 231 K CB -0.587 31.989 32.500 0.127 0.000 0.717 231 K HN 0.242 nan 8.250 nan 0.000 0.442 232 A N 0.724 123.582 122.820 0.064 0.000 1.897 232 A HA -0.074 4.246 4.320 0.000 0.000 0.215 232 A C 2.206 179.796 177.584 0.011 0.000 1.181 232 A CA 1.058 53.111 52.037 0.028 0.000 0.620 232 A CB -0.385 18.621 19.000 0.011 0.000 0.821 232 A HN 0.318 nan 8.150 nan 0.000 0.443 233 I N -1.168 119.398 120.570 -0.006 0.000 3.111 233 I HA 0.094 4.264 4.170 0.000 0.000 0.272 233 I C 1.383 177.511 176.117 0.018 0.000 1.268 233 I CA 1.032 62.321 61.300 -0.019 0.000 1.467 233 I CB 0.068 38.021 38.000 -0.079 0.000 1.087 233 I HN 0.492 nan 8.210 nan 0.000 0.467 234 G N 0.826 109.655 108.800 0.048 0.000 2.142 234 G HA2 -0.201 3.759 3.960 0.000 0.000 0.225 234 G HA3 -0.201 3.759 3.960 0.000 0.000 0.225 234 G C -0.073 174.877 174.900 0.083 0.000 1.015 234 G CA 0.152 45.287 45.100 0.060 0.000 0.716 234 G HN 0.222 nan 8.290 nan 0.000 0.508 235 V N 0.060 120.049 119.914 0.125 0.000 2.540 235 V HA 0.545 4.666 4.120 0.000 0.000 0.302 235 V C 0.404 176.625 176.094 0.211 0.000 1.035 235 V CA -0.988 61.413 62.300 0.168 0.000 0.873 235 V CB 1.856 33.787 31.823 0.180 0.000 0.992 235 V HN 0.304 nan 8.190 nan 0.000 0.428 236 K N 6.553 127.036 120.400 0.139 0.000 2.297 236 K HA 0.395 4.715 4.320 0.000 0.000 0.286 236 K C -2.312 174.285 176.600 -0.004 0.000 1.053 236 K CA -1.263 55.060 56.287 0.060 0.000 0.940 236 K CB 0.865 33.386 32.500 0.036 0.000 1.019 236 K HN 0.453 nan 8.250 nan 0.000 0.475 237 P HA 0.158 nan 4.420 nan 0.000 0.275 237 P C -2.604 174.543 177.300 -0.255 0.000 1.227 237 P CA -1.301 61.565 63.100 -0.389 0.000 0.781 237 P CB 0.205 31.510 31.700 -0.659 0.000 0.906 238 P HA 0.129 nan 4.420 nan 0.000 0.268 238 P C 0.680 177.850 177.300 -0.217 0.000 1.205 238 P CA -0.039 62.937 63.100 -0.205 0.000 0.771 238 P CB 0.434 32.057 31.700 -0.128 0.000 0.858 239 R N 1.418 121.769 120.500 -0.248 0.000 2.508 239 R HA 0.373 4.713 4.340 0.000 0.000 0.300 239 R C 0.088 176.211 176.300 -0.294 0.000 0.970 239 R CA -0.253 55.703 56.100 -0.241 0.000 1.102 239 R CB 0.350 30.511 30.300 -0.233 0.000 1.246 239 R HN 0.474 nan 8.270 nan 0.000 0.539 240 G N 1.620 110.235 108.800 -0.308 0.000 2.704 240 G HA2 0.537 4.497 3.960 0.000 0.000 0.280 240 G HA3 0.537 4.497 3.960 0.000 0.000 0.280 240 G C -1.550 173.328 174.900 -0.036 0.000 1.499 240 G CA -0.480 44.360 45.100 -0.433 0.000 1.146 240 G HN 0.043 nan 8.290 nan 0.000 0.558 241 I N 2.391 123.048 120.570 0.145 0.000 2.355 241 I HA 0.353 4.523 4.170 0.000 0.000 0.288 241 I C -0.387 175.871 176.117 0.235 0.000 0.999 241 I CA -0.840 60.565 61.300 0.174 0.000 1.163 241 I CB 1.881 39.938 38.000 0.095 0.000 1.316 241 I HN 0.368 nan 8.210 nan 0.000 0.454 242 L N 7.978 129.328 121.223 0.211 0.000 2.262 242 L HA 0.527 4.867 4.340 0.000 0.000 0.288 242 L C -0.813 176.142 176.870 0.142 0.000 1.035 242 L CA -0.075 54.810 54.840 0.076 0.000 0.820 242 L CB 0.400 42.471 42.059 0.021 0.000 1.204 242 L HN 0.379 nan 8.230 nan 0.000 0.424 243 L N 6.691 127.969 121.223 0.091 0.000 2.290 243 L HA 0.408 4.748 4.340 0.000 0.000 0.284 243 L C -0.611 176.354 176.870 0.158 0.000 1.078 243 L CA -0.649 54.263 54.840 0.120 0.000 0.815 243 L CB 0.279 42.425 42.059 0.144 0.000 1.162 243 L HN 0.672 nan 8.230 nan 0.000 0.435 244 Y N 0.977 121.293 120.300 0.027 0.000 2.605 244 Y HA 0.979 5.529 4.550 0.000 0.000 0.343 244 Y C -0.031 175.885 175.900 0.026 0.000 1.036 244 Y CA -0.802 57.308 58.100 0.016 0.000 1.065 244 Y CB 2.220 40.680 38.460 0.001 0.000 1.288 244 Y HN 0.694 nan 8.280 nan 0.000 0.481 245 G N 0.587 109.417 108.800 0.050 0.000 2.324 245 G HA2 0.396 4.356 3.960 0.000 0.000 0.293 245 G HA3 0.396 4.356 3.960 0.000 0.000 0.293 245 G C -3.551 171.375 174.900 0.043 0.000 1.297 245 G CA -1.297 43.790 45.100 -0.022 0.000 0.853 245 G HN 0.506 nan 8.290 nan 0.000 0.535 246 P HA 0.343 nan 4.420 nan 0.000 0.272 246 P C -2.478 174.831 177.300 0.015 0.000 1.230 246 P CA -0.949 62.164 63.100 0.022 0.000 0.788 246 P CB 0.004 31.708 31.700 0.007 0.000 0.949 247 P HA -0.007 nan 4.420 nan 0.000 0.260 247 P C 0.789 178.089 177.300 0.001 0.000 1.172 247 P CA 1.793 64.898 63.100 0.010 0.000 0.760 247 P CB -0.260 31.442 31.700 0.003 0.000 0.773 248 G N 2.392 111.196 108.800 0.006 0.000 2.160 248 G HA2 -0.264 3.696 3.960 0.000 0.000 0.244 248 G HA3 -0.264 3.696 3.960 0.000 0.000 0.244 248 G C 0.764 175.666 174.900 0.003 0.000 1.022 248 G CA 0.476 45.577 45.100 0.002 0.000 0.741 248 G HN 0.587 nan 8.290 nan 0.000 0.508 249 T N -3.508 111.049 114.554 0.006 0.000 3.057 249 T HA 0.467 4.818 4.350 0.000 0.000 0.254 249 T C 1.960 176.667 174.700 0.011 0.000 1.094 249 T CA 1.504 63.604 62.100 0.001 0.000 1.088 249 T CB 0.695 69.555 68.868 -0.014 0.000 0.934 249 T HN 2.034 nan 8.240 nan 0.000 0.497 250 G N 0.984 109.797 108.800 0.021 0.000 2.276 250 G HA2 -0.120 3.841 3.960 0.000 0.000 0.177 250 G HA3 -0.120 3.841 3.960 0.000 0.000 0.177 250 G C 0.676 175.597 174.900 0.035 0.000 1.017 250 G CA 0.060 45.177 45.100 0.029 0.000 0.750 250 G HN 0.444 nan 8.290 nan 0.000 0.506 251 K N 0.148 120.578 120.400 0.049 0.000 2.001 251 K HA -0.010 4.310 4.320 0.000 0.000 0.208 251 K C 2.496 179.129 176.600 0.055 0.000 1.048 251 K CA 1.901 58.246 56.287 0.097 0.000 0.932 251 K CB -0.318 32.263 32.500 0.135 0.000 0.715 251 K HN 0.230 nan 8.250 nan 0.000 0.437 252 T N 1.955 116.519 114.554 0.016 0.000 2.788 252 T HA -0.111 4.239 4.350 0.000 0.000 0.268 252 T C 1.794 176.423 174.700 -0.118 0.000 1.044 252 T CA 0.891 62.950 62.100 -0.069 0.000 1.139 252 T CB -0.201 68.653 68.868 -0.024 0.000 0.867 252 T HN 0.062 nan 8.240 nan 0.000 0.454 253 L N 0.857 122.047 121.223 -0.055 0.000 2.012 253 L HA 0.008 4.348 4.340 0.000 0.000 0.210 253 L C 2.175 179.004 176.870 -0.068 0.000 1.073 253 L CA 1.560 56.368 54.840 -0.053 0.000 0.748 253 L CB -0.469 41.589 42.059 -0.002 0.000 0.891 253 L HN 0.237 nan 8.230 nan 0.000 0.431 254 I N -0.676 119.880 120.570 -0.024 0.000 2.286 254 I HA -0.312 3.858 4.170 0.000 0.000 0.248 254 I C 2.572 178.638 176.117 -0.084 0.000 1.115 254 I CA 1.155 62.469 61.300 0.023 0.000 1.392 254 I CB -0.574 37.486 38.000 0.100 0.000 1.065 254 I HN 0.360 nan 8.210 nan 0.000 0.418 255 A N 0.653 123.297 122.820 -0.294 0.000 1.908 255 A HA -0.202 4.118 4.320 0.000 0.000 0.218 255 A C 2.363 179.638 177.584 -0.516 0.000 1.181 255 A CA 1.455 53.066 52.037 -0.711 0.000 0.627 255 A CB -0.407 17.790 19.000 -1.339 0.000 0.818 255 A HN 0.240 nan 8.150 nan 0.000 0.445 256 R N -0.473 119.804 120.500 -0.371 0.000 2.075 256 R HA 0.002 4.342 4.340 0.000 0.000 0.232 256 R C 2.430 178.503 176.300 -0.378 0.000 1.126 256 R CA 1.391 57.279 56.100 -0.353 0.000 0.963 256 R CB -1.212 28.949 30.300 -0.231 0.000 0.858 256 R HN 0.531 nan 8.270 nan 0.000 0.435 257 A N 0.635 123.281 122.820 -0.290 0.000 1.898 257 A HA -0.084 4.236 4.320 0.000 0.000 0.216 257 A C 2.479 179.756 177.584 -0.512 0.000 1.181 257 A CA 1.386 53.211 52.037 -0.353 0.000 0.620 257 A CB -0.573 18.322 19.000 -0.176 0.000 0.819 257 A HN 0.083 nan 8.150 nan 0.000 0.442 258 V N -0.008 119.736 119.914 -0.283 0.000 2.295 258 V HA -0.264 3.856 4.120 0.000 0.000 0.246 258 V C 3.076 178.904 176.094 -0.444 0.000 1.049 258 V CA 1.946 64.154 62.300 -0.153 0.000 1.024 258 V CB -1.252 30.677 31.823 0.178 0.000 0.648 258 V HN 0.615 nan 8.190 nan 0.000 0.447 259 A N 0.286 122.524 122.820 -0.970 0.000 1.948 259 A HA -0.300 4.021 4.320 0.000 0.000 0.220 259 A C 1.984 179.197 177.584 -0.617 0.000 1.177 259 A CA 2.559 53.756 52.037 -1.400 0.000 0.636 259 A CB -0.785 17.282 19.000 -1.554 0.000 0.815 259 A HN 0.738 nan 8.150 nan 0.000 0.449 260 N N -1.215 117.196 118.700 -0.481 0.000 2.415 260 N HA -0.008 4.733 4.740 0.000 0.000 0.176 260 N C 1.312 176.651 175.510 -0.284 0.000 1.042 260 N CA 0.666 53.518 53.050 -0.331 0.000 0.902 260 N CB 0.121 38.427 38.487 -0.300 0.000 0.986 260 N HN 0.441 nan 8.380 nan 0.000 0.447 261 E N 0.456 120.438 120.200 -0.364 0.000 2.460 261 E HA 0.005 4.356 4.350 0.000 0.000 0.200 261 E C 0.439 176.974 176.600 -0.108 0.000 1.011 261 E CA 0.324 56.533 56.400 -0.319 0.000 0.912 261 E CB 0.471 29.721 29.700 -0.750 0.000 0.953 261 E HN 0.356 nan 8.360 nan 0.000 0.494 262 T N -2.298 112.220 114.554 -0.062 0.000 2.904 262 T HA 0.323 4.673 4.350 0.000 0.000 0.290 262 T C 1.300 176.032 174.700 0.053 0.000 1.018 262 T CA -0.146 61.989 62.100 0.058 0.000 1.075 262 T CB 1.807 70.755 68.868 0.133 0.000 0.986 262 T HN -0.017 nan 8.240 nan 0.000 0.523 263 G N 0.426 109.271 108.800 0.074 0.000 2.511 263 G HA2 0.356 4.317 3.960 0.000 0.000 0.217 263 G HA3 0.356 4.317 3.960 0.000 0.000 0.217 263 G C 0.700 175.656 174.900 0.094 0.000 1.133 263 G CA 0.123 45.263 45.100 0.066 0.000 0.792 263 G HN 1.184 nan 8.290 nan 0.000 0.539 264 A N 0.015 122.910 122.820 0.126 0.000 2.386 264 A HA 0.522 4.842 4.320 0.000 0.000 0.248 264 A C -0.247 177.480 177.584 0.238 0.000 1.082 264 A CA -0.725 51.416 52.037 0.174 0.000 0.789 264 A CB 0.214 19.321 19.000 0.179 0.000 1.025 264 A HN 0.342 nan 8.150 nan 0.000 0.490 265 F N 1.379 121.390 119.950 0.102 0.000 2.572 265 F HA 0.427 4.954 4.527 0.000 0.000 0.370 265 F C -0.520 175.399 175.800 0.198 0.000 1.103 265 F CA 0.223 58.301 58.000 0.130 0.000 1.286 265 F CB 0.163 39.217 39.000 0.089 0.000 1.105 265 F HN 0.435 nan 8.300 nan 0.000 0.583 266 F N 7.313 126.877 119.950 -0.644 0.000 2.540 266 F HA 0.522 5.049 4.527 0.000 0.000 0.317 266 F C -1.920 173.529 175.800 -0.585 0.000 1.104 266 F CA -0.992 56.765 58.000 -0.405 0.000 0.913 266 F CB 1.184 40.046 39.000 -0.230 0.000 1.170 266 F HN 0.393 nan 8.300 nan 0.000 0.450 267 F N 7.354 126.882 119.950 -0.703 0.000 2.539 267 F HA 0.541 5.068 4.527 0.000 0.000 0.328 267 F C -1.819 173.804 175.800 -0.295 0.000 1.148 267 F CA -0.953 56.818 58.000 -0.382 0.000 0.940 267 F CB 1.356 40.229 39.000 -0.213 0.000 1.194 267 F HN 0.382 nan 8.300 nan 0.000 0.438 268 L N 7.019 128.215 121.223 -0.044 0.000 2.289 268 L HA 0.624 4.964 4.340 0.000 0.000 0.285 268 L C -1.098 175.902 176.870 0.216 0.000 1.049 268 L CA -0.080 54.855 54.840 0.158 0.000 0.804 268 L CB 0.810 42.971 42.059 0.171 0.000 1.195 268 L HN 0.512 nan 8.230 nan 0.000 0.428 269 I N 5.273 126.011 120.570 0.280 0.000 2.410 269 I HA 0.341 4.511 4.170 0.000 0.000 0.286 269 I C -0.606 175.633 176.117 0.203 0.000 1.009 269 I CA -0.604 60.849 61.300 0.256 0.000 1.111 269 I CB 1.248 39.401 38.000 0.255 0.000 1.262 269 I HN 0.562 nan 8.210 nan 0.000 0.443 270 N N 4.783 123.575 118.700 0.152 0.000 2.434 270 N HA 0.162 4.902 4.740 0.000 0.000 0.272 270 N C 1.037 176.609 175.510 0.104 0.000 1.040 270 N CA 0.005 53.130 53.050 0.124 0.000 0.956 270 N CB 2.208 40.748 38.487 0.088 0.000 1.108 270 N HN 0.841 nan 8.380 nan 0.000 0.481 271 G N 3.931 112.786 108.800 0.093 0.000 2.631 271 G HA2 -0.233 3.728 3.960 0.000 0.000 0.219 271 G HA3 -0.233 3.728 3.960 0.000 0.000 0.219 271 G C -0.933 174.001 174.900 0.057 0.000 1.214 271 G CA 0.984 46.125 45.100 0.067 0.000 0.785 271 G HN 0.484 nan 8.290 nan 0.000 0.596 272 P HA -0.005 nan 4.420 nan 0.000 0.218 272 P C 1.750 179.076 177.300 0.044 0.000 1.149 272 P CA 1.009 64.134 63.100 0.041 0.000 0.817 272 P CB 0.048 31.770 31.700 0.035 0.000 0.785 273 E N -0.522 119.709 120.200 0.053 0.000 2.085 273 E HA -0.168 4.182 4.350 0.000 0.000 0.194 273 E C 1.882 178.519 176.600 0.061 0.000 0.994 273 E CA 1.113 57.547 56.400 0.055 0.000 0.801 273 E CB -0.364 29.375 29.700 0.065 0.000 0.743 273 E HN 0.162 nan 8.360 nan 0.000 0.453 274 I N 0.734 121.346 120.570 0.070 0.000 2.193 274 I HA -0.230 3.941 4.170 0.000 0.000 0.240 274 I C 2.265 178.412 176.117 0.051 0.000 1.084 274 I CA 0.927 62.269 61.300 0.069 0.000 1.365 274 I CB -0.845 37.202 38.000 0.079 0.000 1.064 274 I HN 0.174 nan 8.210 nan 0.000 0.410 275 M N 0.645 120.271 119.600 0.044 0.000 2.549 275 M HA -0.073 4.407 4.480 0.000 0.000 0.260 275 M C 2.378 178.695 176.300 0.030 0.000 1.076 275 M CA 1.088 56.409 55.300 0.034 0.000 1.090 275 M CB -1.607 31.011 32.600 0.030 0.000 1.418 275 M HN 0.360 nan 8.290 nan 0.000 0.486 276 S N -0.366 115.353 115.700 0.032 0.000 2.428 276 S HA 0.006 4.477 4.470 0.000 0.000 0.230 276 S C 0.994 175.610 174.600 0.027 0.000 1.014 276 S CA 0.241 58.458 58.200 0.027 0.000 0.957 276 S CB 0.065 63.282 63.200 0.028 0.000 0.784 276 S HN 0.391 nan 8.310 nan 0.000 0.499 277 K N 0.900 121.319 120.400 0.031 0.000 2.098 277 K HA 0.394 4.714 4.320 0.000 0.000 0.257 277 K C -0.093 176.522 176.600 0.025 0.000 0.999 277 K CA -0.581 55.724 56.287 0.030 0.000 0.924 277 K CB 0.719 33.242 32.500 0.038 0.000 1.028 277 K HN 0.237 nan 8.250 nan 0.000 0.466 278 L N 1.602 122.839 121.223 0.023 0.000 2.516 278 L HA -0.076 4.264 4.340 0.000 0.000 0.288 278 L C 0.599 177.480 176.870 0.018 0.000 1.246 278 L CA -0.193 54.658 54.840 0.019 0.000 0.844 278 L CB 0.187 42.256 42.059 0.017 0.000 1.106 278 L HN 0.745 nan 8.230 nan 0.000 0.509 279 A N 2.497 125.326 122.820 0.015 0.000 2.561 279 A HA 0.363 4.683 4.320 0.000 0.000 0.251 279 A C 1.221 178.812 177.584 0.012 0.000 1.062 279 A CA 0.677 52.722 52.037 0.013 0.000 0.761 279 A CB -0.459 18.548 19.000 0.011 0.000 0.986 279 A HN 1.127 nan 8.150 nan 0.000 0.510 280 G N 1.529 110.336 108.800 0.011 0.000 2.579 280 G HA2 -0.328 3.633 3.960 0.000 0.000 0.222 280 G HA3 -0.328 3.633 3.960 0.000 0.000 0.222 280 G C 1.126 176.034 174.900 0.014 0.000 1.201 280 G CA 0.735 45.840 45.100 0.009 0.000 0.710 280 G HN 0.828 nan 8.290 nan 0.000 0.516 281 E N 1.287 121.499 120.200 0.018 0.000 2.333 281 E HA -0.078 4.272 4.350 0.000 0.000 0.198 281 E C 2.553 179.173 176.600 0.033 0.000 1.007 281 E CA 1.783 58.198 56.400 0.025 0.000 0.845 281 E CB -0.105 29.610 29.700 0.026 0.000 0.766 281 E HN 0.726 nan 8.360 nan 0.000 0.507 282 S N -0.052 115.666 115.700 0.030 0.000 2.404 282 S HA -0.051 4.419 4.470 0.000 0.000 0.223 282 S C 1.723 176.343 174.600 0.033 0.000 1.040 282 S CA 0.428 58.651 58.200 0.038 0.000 0.957 282 S CB -0.105 63.115 63.200 0.035 0.000 0.826 282 S HN 0.123 nan 8.310 nan 0.000 0.491 283 E N 1.901 122.112 120.200 0.018 0.000 2.110 283 E HA -0.054 4.297 4.350 0.000 0.000 0.193 283 E C 2.185 178.788 176.600 0.005 0.000 0.988 283 E CA 1.149 57.550 56.400 0.002 0.000 0.804 283 E CB -0.358 29.337 29.700 -0.008 0.000 0.745 283 E HN 0.512 nan 8.360 nan 0.000 0.458 284 S N -0.160 115.549 115.700 0.016 0.000 2.387 284 S HA -0.105 4.365 4.470 0.000 0.000 0.226 284 S C 1.607 176.230 174.600 0.038 0.000 1.026 284 S CA 1.322 59.535 58.200 0.021 0.000 0.972 284 S CB -0.235 62.978 63.200 0.023 0.000 0.814 284 S HN 0.271 nan 8.310 nan 0.000 0.477 285 N N 0.534 119.267 118.700 0.056 0.000 2.244 285 N HA 0.071 4.811 4.740 0.000 0.000 0.183 285 N C 1.701 177.267 175.510 0.093 0.000 1.016 285 N CA 0.892 53.995 53.050 0.088 0.000 0.866 285 N CB -0.109 38.443 38.487 0.107 0.000 0.980 285 N HN 0.307 nan 8.380 nan 0.000 0.430 286 L N 0.788 122.057 121.223 0.077 0.000 2.005 286 L HA -0.143 4.197 4.340 0.000 0.000 0.207 286 L C 2.639 179.563 176.870 0.089 0.000 1.072 286 L CA 1.075 55.972 54.840 0.095 0.000 0.744 286 L CB -0.299 41.781 42.059 0.035 0.000 0.895 286 L HN 0.192 nan 8.230 nan 0.000 0.433 287 R N 0.490 121.000 120.500 0.017 0.000 2.112 287 R HA -0.293 4.047 4.340 0.000 0.000 0.242 287 R C 2.358 178.677 176.300 0.031 0.000 1.137 287 R CA 2.352 58.455 56.100 0.004 0.000 0.944 287 R CB -0.232 30.061 30.300 -0.012 0.000 0.857 287 R HN 0.229 nan 8.270 nan 0.000 0.435 288 K N -0.418 119.993 120.400 0.018 0.000 2.063 288 K HA -0.143 4.177 4.320 0.000 0.000 0.208 288 K C 1.935 178.457 176.600 -0.131 0.000 1.048 288 K CA 1.515 57.800 56.287 -0.004 0.000 0.928 288 K CB -0.166 32.365 32.500 0.051 0.000 0.713 288 K HN 0.283 nan 8.250 nan 0.000 0.442 289 A N 0.423 123.093 122.820 -0.249 0.000 1.877 289 A HA -0.120 4.200 4.320 0.000 0.000 0.216 289 A C 1.936 179.187 177.584 -0.554 0.000 1.186 289 A CA 1.305 52.835 52.037 -0.844 0.000 0.620 289 A CB -0.784 17.840 19.000 -0.627 0.000 0.822 289 A HN 0.346 nan 8.150 nan 0.000 0.443 290 F N 0.279 120.045 119.950 -0.306 0.000 2.146 290 F HA -0.098 4.429 4.527 0.000 0.000 0.298 290 F C 2.446 178.156 175.800 -0.151 0.000 1.096 290 F CA 1.806 59.693 58.000 -0.188 0.000 1.275 290 F CB -0.423 38.502 39.000 -0.125 0.000 1.008 290 F HN 0.317 nan 8.300 nan 0.000 0.480 291 E N -0.330 119.891 120.200 0.034 0.000 2.077 291 E HA -0.244 4.107 4.350 0.000 0.000 0.193 291 E C 2.012 178.571 176.600 -0.068 0.000 0.989 291 E CA 1.350 57.743 56.400 -0.013 0.000 0.800 291 E CB -0.179 29.518 29.700 -0.006 0.000 0.746 291 E HN 0.312 nan 8.360 nan 0.000 0.452 292 E N 0.805 120.941 120.200 -0.106 0.000 2.051 292 E HA -0.198 4.152 4.350 0.000 0.000 0.192 292 E C 1.911 178.425 176.600 -0.144 0.000 0.991 292 E CA 1.413 57.762 56.400 -0.084 0.000 0.799 292 E CB -0.192 29.520 29.700 0.020 0.000 0.748 292 E HN 0.257 nan 8.360 nan 0.000 0.449 293 A N 0.552 123.325 122.820 -0.077 0.000 1.883 293 A HA -0.263 4.057 4.320 0.000 0.000 0.217 293 A C 2.127 179.651 177.584 -0.101 0.000 1.186 293 A CA 1.923 53.959 52.037 -0.002 0.000 0.624 293 A CB -0.739 18.202 19.000 -0.099 0.000 0.822 293 A HN 0.348 nan 8.150 nan 0.000 0.444 294 E N -0.682 119.460 120.200 -0.097 0.000 2.085 294 E HA -0.221 4.129 4.350 0.000 0.000 0.194 294 E C 2.141 178.685 176.600 -0.092 0.000 0.994 294 E CA 1.451 57.812 56.400 -0.066 0.000 0.801 294 E CB -0.088 29.594 29.700 -0.030 0.000 0.743 294 E HN 0.577 nan 8.360 nan 0.000 0.453 295 K N 0.613 120.932 120.400 -0.134 0.000 2.097 295 K HA -0.091 4.229 4.320 0.000 0.000 0.205 295 K C 0.053 176.519 176.600 -0.223 0.000 1.050 295 K CA 0.858 57.054 56.287 -0.151 0.000 0.938 295 K CB 0.035 32.449 32.500 -0.142 0.000 0.718 295 K HN 0.012 nan 8.250 nan 0.000 0.442 296 N N 0.860 119.328 118.700 -0.387 0.000 3.229 296 N HA 0.145 4.885 4.740 0.000 0.000 0.275 296 N C 0.200 175.568 175.510 -0.236 0.000 1.225 296 N CA 0.178 52.932 53.050 -0.493 0.000 1.119 296 N CB 1.052 38.770 38.487 -1.282 0.000 1.392 296 N HN 0.181 nan 8.380 nan 0.000 0.520 297 A N 2.578 125.321 122.820 -0.129 0.000 2.262 297 A HA -0.232 4.088 4.320 0.000 0.000 0.280 297 A C -1.354 176.231 177.584 0.002 0.000 3.215 297 A CA 1.361 53.368 52.037 -0.050 0.000 1.023 297 A CB -2.036 16.931 19.000 -0.056 0.000 0.585 297 A HN 0.368 nan 8.150 nan 0.000 0.462 298 P HA 0.583 nan 4.420 nan 0.000 0.287 298 P C -0.876 176.498 177.300 0.124 0.000 1.307 298 P CA 0.584 63.716 63.100 0.053 0.000 0.777 298 P CB 1.263 32.966 31.700 0.005 0.000 0.883 299 A N 4.061 126.960 122.820 0.131 0.000 2.498 299 A HA 0.804 5.124 4.320 0.000 0.000 0.298 299 A C -1.041 176.594 177.584 0.086 0.000 1.075 299 A CA -0.776 51.383 52.037 0.204 0.000 0.714 299 A CB 1.139 20.310 19.000 0.284 0.000 1.299 299 A HN 0.415 nan 8.150 nan 0.000 0.407 300 I N 1.659 122.253 120.570 0.040 0.000 2.389 300 I HA 0.379 4.549 4.170 0.000 0.000 0.288 300 I C -0.849 175.050 176.117 -0.363 0.000 0.999 300 I CA -0.226 60.999 61.300 -0.125 0.000 1.129 300 I CB 1.646 39.630 38.000 -0.027 0.000 1.288 300 I HN 0.462 nan 8.210 nan 0.000 0.444 301 I N 6.035 126.414 120.570 -0.318 0.000 2.321 301 I HA 0.284 4.454 4.170 0.000 0.000 0.291 301 I C -0.782 175.178 176.117 -0.262 0.000 0.998 301 I CA -0.347 60.750 61.300 -0.337 0.000 1.227 301 I CB 1.120 38.833 38.000 -0.477 0.000 1.368 301 I HN 0.432 nan 8.210 nan 0.000 0.466 302 F N 7.589 127.321 119.950 -0.364 0.000 2.402 302 F HA 0.525 5.052 4.527 0.000 0.000 0.355 302 F C -0.136 175.671 175.800 0.011 0.000 1.123 302 F CA -0.562 57.360 58.000 -0.130 0.000 1.021 302 F CB 0.890 39.861 39.000 -0.049 0.000 1.160 302 F HN 0.251 nan 8.300 nan 0.000 0.451 303 I N 5.333 125.831 120.570 -0.120 0.000 2.276 303 I HA 0.137 4.307 4.170 0.000 0.000 0.290 303 I C -0.275 175.881 176.117 0.065 0.000 1.109 303 I CA -0.445 60.878 61.300 0.039 0.000 1.229 303 I CB 0.081 38.093 38.000 0.019 0.000 1.452 303 I HN 0.445 nan 8.210 nan 0.000 0.497 304 D N 6.210 126.820 120.400 0.350 0.000 2.382 304 D HA 0.044 4.684 4.640 0.000 0.000 0.245 304 D C 0.376 176.772 176.300 0.159 0.000 1.120 304 D CA 0.413 54.627 54.000 0.357 0.000 0.890 304 D CB 0.643 41.650 40.800 0.346 0.000 1.201 304 D HN 0.510 nan 8.370 nan 0.000 0.433 305 E N 1.215 121.487 120.200 0.119 0.000 2.271 305 E HA -0.254 4.096 4.350 0.000 0.000 0.223 305 E C 0.852 177.463 176.600 0.018 0.000 1.223 305 E CA -0.174 56.262 56.400 0.059 0.000 0.704 305 E CB -1.203 28.533 29.700 0.060 0.000 1.194 305 E HN 0.379 nan 8.360 nan 0.000 0.375 306 L N 1.797 123.000 121.223 -0.033 0.000 2.081 306 L HA -0.235 4.105 4.340 0.000 0.000 0.212 306 L C 2.238 179.072 176.870 -0.060 0.000 1.080 306 L CA 2.756 57.541 54.840 -0.090 0.000 0.754 306 L CB -0.343 41.571 42.059 -0.243 0.000 0.893 306 L HN 0.465 nan 8.230 nan 0.000 0.433 307 D N -0.649 119.724 120.400 -0.045 0.000 2.228 307 D HA -0.258 4.383 4.640 0.000 0.000 0.203 307 D C 1.848 178.144 176.300 -0.007 0.000 0.988 307 D CA 1.268 55.252 54.000 -0.026 0.000 0.864 307 D CB -0.217 40.575 40.800 -0.014 0.000 0.928 307 D HN 0.517 nan 8.370 nan 0.000 0.469 308 A N 1.546 124.369 122.820 0.004 0.000 1.930 308 A HA -0.045 4.275 4.320 0.000 0.000 0.217 308 A C 2.492 180.085 177.584 0.015 0.000 1.175 308 A CA 1.579 53.625 52.037 0.015 0.000 0.627 308 A CB -0.678 18.337 19.000 0.025 0.000 0.815 308 A HN 0.526 nan 8.150 nan 0.000 0.443 309 I N -5.404 115.173 120.570 0.011 0.000 3.708 309 I HA 0.498 4.668 4.170 0.000 0.000 0.302 309 I C 1.110 177.231 176.117 0.006 0.000 1.255 309 I CA 0.729 62.038 61.300 0.015 0.000 1.362 309 I CB 0.530 38.549 38.000 0.031 0.000 1.100 309 I HN 0.119 nan 8.210 nan 0.000 0.434 310 A N 3.323 126.138 122.820 -0.008 0.000 3.214 310 A HA 0.607 4.927 4.320 0.000 0.000 0.304 310 A C -2.685 174.890 177.584 -0.015 0.000 0.969 310 A CA -1.225 50.806 52.037 -0.011 0.000 0.986 310 A CB -0.542 18.447 19.000 -0.017 0.000 1.073 310 A HN 0.175 nan 8.150 nan 0.000 0.487 311 P HA 0.225 nan 4.420 nan 0.000 0.278 311 P C -0.645 176.652 177.300 -0.005 0.000 1.266 311 P CA -0.464 62.633 63.100 -0.005 0.000 0.807 311 P CB 0.718 32.422 31.700 0.006 0.000 1.094 312 K N 1.200 121.597 120.400 -0.006 0.000 2.402 312 K HA -0.005 4.315 4.320 0.000 0.000 0.279 312 K C 1.552 178.145 176.600 -0.012 0.000 1.082 312 K CA 0.319 56.601 56.287 -0.009 0.000 1.080 312 K CB 0.043 32.538 32.500 -0.009 0.000 0.899 312 K HN 0.306 nan 8.250 nan 0.000 0.469 313 R N 2.205 122.696 120.500 -0.015 0.000 2.276 313 R HA -0.227 4.113 4.340 0.000 0.000 0.243 313 R C 1.264 177.542 176.300 -0.037 0.000 1.161 313 R CA 1.435 57.522 56.100 -0.022 0.000 1.007 313 R CB 0.025 30.314 30.300 -0.019 0.000 0.867 313 R HN 0.655 nan 8.270 nan 0.000 0.472 314 E N 0.367 120.545 120.200 -0.037 0.000 2.014 314 E HA -0.143 4.207 4.350 0.000 0.000 0.190 314 E C 0.934 177.491 176.600 -0.071 0.000 0.980 314 E CA 0.690 57.057 56.400 -0.054 0.000 0.807 314 E CB 0.040 29.717 29.700 -0.039 0.000 0.770 314 E HN 0.030 nan 8.360 nan 0.000 0.451 315 K N 1.527 121.907 120.400 -0.033 0.000 3.233 315 K HA -0.003 4.317 4.320 0.000 0.000 0.283 315 K C -1.019 175.599 176.600 0.030 0.000 1.209 315 K CA 0.308 56.594 56.287 -0.001 0.000 1.197 315 K CB -0.131 32.381 32.500 0.021 0.000 1.431 315 K HN -0.072 nan 8.250 nan 0.000 0.326 316 T N -0.292 114.254 114.554 -0.013 0.000 3.335 316 T HA 0.163 4.514 4.350 0.000 0.000 0.321 316 T C 0.265 174.959 174.700 -0.009 0.000 0.960 316 T CA -0.773 61.350 62.100 0.038 0.000 1.034 316 T CB 0.712 69.592 68.868 0.020 0.000 1.040 316 T HN 0.422 nan 8.240 nan 0.000 0.454 317 H N 2.751 121.821 119.070 -0.001 0.000 2.415 317 H HA 0.189 4.744 4.556 -0.000 0.000 0.297 317 H C 1.521 176.848 175.328 -0.001 0.000 1.048 317 H CA 0.559 56.606 56.048 -0.001 0.000 1.365 317 H CB 0.287 30.049 29.762 -0.001 0.000 1.421 317 H HN 0.693 nan 8.280 nan 0.000 0.533 318 G N 0.761 109.627 108.800 0.111 0.000 2.380 318 G HA2 0.017 3.977 3.960 0.000 0.000 0.262 318 G HA3 0.017 3.977 3.960 0.000 0.000 0.262 318 G C 0.599 175.518 174.900 0.030 0.000 1.243 318 G CA -0.348 44.788 45.100 0.060 0.000 0.865 318 G HN 0.329 nan 8.290 nan 0.000 0.513 319 E N 1.035 121.248 120.200 0.021 0.000 2.085 319 E HA -0.172 4.179 4.350 0.000 0.000 0.194 319 E C 2.602 179.205 176.600 0.006 0.000 0.994 319 E CA 1.058 57.463 56.400 0.008 0.000 0.801 319 E CB 0.026 29.730 29.700 0.006 0.000 0.743 319 E HN 0.393 nan 8.360 nan 0.000 0.453 320 V N 1.376 121.296 119.914 0.010 0.000 2.343 320 V HA -0.259 3.862 4.120 0.000 0.000 0.247 320 V C 1.971 178.070 176.094 0.008 0.000 1.051 320 V CA 1.905 64.210 62.300 0.008 0.000 1.036 320 V CB -0.521 31.309 31.823 0.012 0.000 0.654 320 V HN 0.239 nan 8.190 nan 0.000 0.451 321 E N 0.103 120.311 120.200 0.014 0.000 2.031 321 E HA -0.213 4.137 4.350 0.000 0.000 0.193 321 E C 2.469 179.073 176.600 0.006 0.000 0.994 321 E CA 1.204 57.612 56.400 0.014 0.000 0.800 321 E CB -0.240 29.474 29.700 0.024 0.000 0.752 321 E HN 0.493 nan 8.360 nan 0.000 0.447 322 R N 0.586 121.088 120.500 0.002 0.000 2.117 322 R HA -0.142 4.198 4.340 0.000 0.000 0.243 322 R C 2.463 178.757 176.300 -0.010 0.000 1.143 322 R CA 1.365 57.460 56.100 -0.007 0.000 0.968 322 R CB -0.216 30.076 30.300 -0.013 0.000 0.863 322 R HN 0.054 nan 8.270 nan 0.000 0.444 323 R N 0.698 121.193 120.500 -0.009 0.000 2.096 323 R HA -0.101 4.239 4.340 0.000 0.000 0.235 323 R C 2.095 178.385 176.300 -0.018 0.000 1.127 323 R CA 1.391 57.483 56.100 -0.014 0.000 0.968 323 R CB -0.170 30.124 30.300 -0.011 0.000 0.861 323 R HN 0.200 nan 8.270 nan 0.000 0.440 324 I N 0.262 120.826 120.570 -0.011 0.000 2.315 324 I HA -0.246 3.924 4.170 0.000 0.000 0.248 324 I C 2.149 178.256 176.117 -0.018 0.000 1.117 324 I CA 0.838 62.130 61.300 -0.012 0.000 1.404 324 I CB -0.041 37.960 38.000 0.002 0.000 1.071 324 I HN -0.008 nan 8.210 nan 0.000 0.419 325 V N -0.272 119.634 119.914 -0.012 0.000 2.295 325 V HA -0.270 3.850 4.120 0.000 0.000 0.246 325 V C 2.489 178.569 176.094 -0.023 0.000 1.049 325 V CA 2.143 64.437 62.300 -0.011 0.000 1.024 325 V CB -0.856 30.963 31.823 -0.006 0.000 0.648 325 V HN 0.359 nan 8.190 nan 0.000 0.447 326 S N -0.451 115.232 115.700 -0.028 0.000 2.382 326 S HA -0.297 4.174 4.470 0.000 0.000 0.228 326 S C 2.047 176.610 174.600 -0.061 0.000 1.027 326 S CA 1.895 60.072 58.200 -0.038 0.000 0.991 326 S CB -0.360 62.821 63.200 -0.032 0.000 0.823 326 S HN 0.654 nan 8.310 nan 0.000 0.469 327 Q N 0.950 120.711 119.800 -0.066 0.000 2.124 327 Q HA -0.069 4.272 4.340 0.000 0.000 0.202 327 Q C 1.987 177.888 176.000 -0.164 0.000 0.977 327 Q CA 1.195 56.938 55.803 -0.100 0.000 0.850 327 Q CB -0.470 28.221 28.738 -0.077 0.000 0.901 327 Q HN 0.437 nan 8.270 nan 0.000 0.429 328 L N -0.414 120.729 121.223 -0.134 0.000 2.023 328 L HA -0.037 4.303 4.340 0.000 0.000 0.205 328 L C 2.020 178.783 176.870 -0.177 0.000 1.073 328 L CA 1.618 56.354 54.840 -0.173 0.000 0.745 328 L CB -0.840 41.195 42.059 -0.040 0.000 0.900 328 L HN 0.394 nan 8.230 nan 0.000 0.435 329 L N -0.778 120.394 121.223 -0.086 0.000 2.021 329 L HA -0.317 4.023 4.340 0.000 0.000 0.215 329 L C 2.376 179.179 176.870 -0.111 0.000 1.074 329 L CA 2.118 56.918 54.840 -0.068 0.000 0.760 329 L CB -1.166 40.872 42.059 -0.035 0.000 0.889 329 L HN 0.332 nan 8.230 nan 0.000 0.433 330 T N 0.157 114.635 114.554 -0.126 0.000 2.665 330 T HA -0.215 4.135 4.350 0.000 0.000 0.268 330 T C 1.900 176.486 174.700 -0.190 0.000 1.035 330 T CA 1.525 63.546 62.100 -0.132 0.000 1.151 330 T CB -0.320 68.478 68.868 -0.117 0.000 0.862 330 T HN 0.210 nan 8.240 nan 0.000 0.438 331 L N 0.111 121.134 121.223 -0.333 0.000 2.056 331 L HA -0.059 4.281 4.340 0.000 0.000 0.207 331 L C 2.781 179.447 176.870 -0.340 0.000 1.078 331 L CA 0.786 55.307 54.840 -0.532 0.000 0.749 331 L CB -0.567 40.722 42.059 -1.282 0.000 0.901 331 L HN 0.226 nan 8.230 nan 0.000 0.433 332 M N -0.396 119.049 119.600 -0.259 0.000 2.108 332 M HA -0.217 4.264 4.480 0.000 0.000 0.261 332 M C 1.716 177.967 176.300 -0.082 0.000 1.066 332 M CA 1.733 56.983 55.300 -0.085 0.000 1.107 332 M CB -1.102 31.425 32.600 -0.121 0.000 1.356 332 M HN 0.215 nan 8.290 nan 0.000 0.406 333 D N -0.435 119.910 120.400 -0.093 0.000 2.277 333 D HA 0.025 4.665 4.640 0.000 0.000 0.208 333 D C 2.039 178.305 176.300 -0.057 0.000 0.962 333 D CA 1.038 54.997 54.000 -0.068 0.000 0.865 333 D CB -0.427 40.340 40.800 -0.056 0.000 0.939 333 D HN 0.438 nan 8.370 nan 0.000 0.510 334 G N 0.537 109.297 108.800 -0.066 0.000 2.421 334 G HA2 -0.078 3.882 3.960 0.000 0.000 0.217 334 G HA3 -0.078 3.882 3.960 0.000 0.000 0.217 334 G C 0.767 175.655 174.900 -0.020 0.000 1.143 334 G CA -0.089 44.982 45.100 -0.049 0.000 0.784 334 G HN 0.226 nan 8.290 nan 0.000 0.541 335 L N 1.810 123.034 121.223 0.002 0.000 2.530 335 L HA 0.169 4.509 4.340 0.000 0.000 0.273 335 L C 0.671 177.517 176.870 -0.039 0.000 1.141 335 L CA -0.204 54.637 54.840 0.001 0.000 0.905 335 L CB 0.433 42.503 42.059 0.017 0.000 1.202 335 L HN 0.071 nan 8.230 nan 0.000 0.473 336 K N 2.003 122.377 120.400 -0.043 0.000 2.187 336 K HA 0.022 4.342 4.320 0.000 0.000 0.247 336 K C 0.962 177.507 176.600 -0.092 0.000 1.019 336 K CA -0.731 55.523 56.287 -0.056 0.000 0.893 336 K CB 0.613 33.087 32.500 -0.044 0.000 1.025 336 K HN 0.482 nan 8.250 nan 0.000 0.500 337 Q N 1.128 120.870 119.800 -0.095 0.000 2.077 337 Q HA -0.208 4.132 4.340 0.000 0.000 0.206 337 Q C 1.487 177.345 176.000 -0.236 0.000 0.989 337 Q CA 1.844 57.566 55.803 -0.135 0.000 0.853 337 Q CB -0.459 28.225 28.738 -0.090 0.000 0.907 337 Q HN 0.464 nan 8.270 nan 0.000 0.418 338 R N 0.328 120.705 120.500 -0.205 0.000 2.340 338 R HA 0.323 4.663 4.340 0.000 0.000 0.215 338 R C 1.514 177.664 176.300 -0.251 0.000 1.017 338 R CA 0.755 56.688 56.100 -0.277 0.000 1.111 338 R CB -0.797 29.452 30.300 -0.084 0.000 1.049 338 R HN 0.158 nan 8.270 nan 0.000 0.490 339 A N 0.728 123.412 122.820 -0.227 0.000 1.970 339 A HA -0.058 4.262 4.320 0.000 0.000 0.216 339 A C 0.118 177.694 177.584 -0.014 0.000 1.170 339 A CA 0.502 52.485 52.037 -0.090 0.000 0.645 339 A CB -0.533 18.425 19.000 -0.069 0.000 0.816 339 A HN 0.631 nan 8.150 nan 0.000 0.447 340 H N -1.651 117.390 119.070 -0.048 0.000 2.692 340 H HA -0.122 4.435 4.556 0.001 0.000 0.316 340 H C -0.952 174.345 175.328 -0.052 0.000 1.176 340 H CA 0.693 56.711 56.048 -0.050 0.000 1.142 340 H CB -2.369 27.375 29.762 -0.031 0.000 1.475 340 H HN 0.261 nan 8.280 nan 0.000 0.423 341 V N 2.669 122.575 119.914 -0.014 0.000 2.443 341 V HA 0.332 4.452 4.120 0.000 0.000 0.293 341 V C 0.474 176.508 176.094 -0.101 0.000 1.021 341 V CA -0.710 61.558 62.300 -0.053 0.000 0.848 341 V CB 2.364 34.131 31.823 -0.093 0.000 0.998 341 V HN 0.171 nan 8.190 nan 0.000 0.424 342 I N 5.200 125.715 120.570 -0.092 0.000 2.359 342 I HA 0.460 4.630 4.170 0.000 0.000 0.294 342 I C -0.060 175.974 176.117 -0.138 0.000 0.987 342 I CA -0.683 60.548 61.300 -0.114 0.000 1.225 342 I CB 1.778 39.739 38.000 -0.066 0.000 1.366 342 I HN 0.237 nan 8.210 nan 0.000 0.466 343 V N 6.938 126.749 119.914 -0.172 0.000 2.350 343 V HA 0.411 4.531 4.120 0.000 0.000 0.276 343 V C 0.370 176.460 176.094 -0.006 0.000 1.028 343 V CA -0.499 61.714 62.300 -0.144 0.000 0.860 343 V CB 1.300 33.024 31.823 -0.164 0.000 0.990 343 V HN 0.638 nan 8.190 nan 0.000 0.453 344 M N 3.976 123.537 119.600 -0.065 0.000 2.367 344 M HA 0.809 5.290 4.480 0.000 0.000 0.339 344 M C -0.051 175.930 176.300 -0.531 0.000 1.177 344 M CA -0.241 54.945 55.300 -0.190 0.000 1.068 344 M CB 1.982 34.442 32.600 -0.233 0.000 1.602 344 M HN 0.733 nan 8.290 nan 0.000 0.457 345 A N 1.581 124.068 122.820 -0.555 0.000 2.539 345 A HA 0.962 5.283 4.320 0.000 0.000 0.296 345 A C -1.626 175.688 177.584 -0.450 0.000 1.073 345 A CA -0.708 50.916 52.037 -0.688 0.000 0.700 345 A CB 1.599 20.164 19.000 -0.725 0.000 1.296 345 A HN 0.871 nan 8.150 nan 0.000 0.405 346 A N 0.237 122.934 122.820 -0.205 0.000 2.386 346 A HA 0.931 5.251 4.320 0.000 0.000 0.311 346 A C -0.321 177.282 177.584 0.032 0.000 1.068 346 A CA -0.163 51.908 52.037 0.057 0.000 0.743 346 A CB 1.671 20.869 19.000 0.329 0.000 1.258 346 A HN 1.717 nan 8.150 nan 0.000 0.429 347 T N -0.236 114.351 114.554 0.056 0.000 2.894 347 T HA 0.447 4.797 4.350 0.000 0.000 0.309 347 T C 0.007 174.757 174.700 0.084 0.000 1.208 347 T CA -0.125 62.004 62.100 0.048 0.000 1.016 347 T CB 1.021 69.891 68.868 0.003 0.000 1.192 347 T HN 0.820 nan 8.240 nan 0.000 0.491 348 N N 1.802 120.540 118.700 0.064 0.000 2.236 348 N HA 0.198 4.938 4.740 0.000 0.000 0.196 348 N C 0.324 175.871 175.510 0.062 0.000 1.114 348 N CA -0.187 52.903 53.050 0.068 0.000 0.859 348 N CB 0.295 38.810 38.487 0.047 0.000 0.982 348 N HN 0.380 nan 8.380 nan 0.000 0.493 349 R N 0.646 121.173 120.500 0.044 0.000 2.629 349 R HA 0.256 4.597 4.340 0.000 0.000 0.277 349 R C -1.995 174.304 176.300 -0.000 0.000 1.637 349 R CA -1.357 54.758 56.100 0.024 0.000 1.663 349 R CB 1.280 31.588 30.300 0.013 0.000 1.228 349 R HN 0.138 nan 8.270 nan 0.000 0.632 350 P HA -0.146 nan 4.420 nan 0.000 0.218 350 P C 0.192 177.441 177.300 -0.086 0.000 1.149 350 P CA 1.158 64.214 63.100 -0.074 0.000 0.817 350 P CB 0.341 31.929 31.700 -0.187 0.000 0.785 351 N N -0.204 118.456 118.700 -0.066 0.000 2.521 351 N HA -0.046 4.694 4.740 0.000 0.000 0.188 351 N C 1.475 176.965 175.510 -0.033 0.000 1.146 351 N CA 0.823 53.841 53.050 -0.053 0.000 0.893 351 N CB -0.476 37.985 38.487 -0.043 0.000 0.975 351 N HN 0.286 nan 8.380 nan 0.000 0.451 352 S N -0.588 115.096 115.700 -0.027 0.000 2.556 352 S HA 0.234 4.704 4.470 0.000 0.000 0.216 352 S C 0.513 175.100 174.600 -0.023 0.000 0.970 352 S CA -0.490 57.700 58.200 -0.017 0.000 0.912 352 S CB -0.087 63.109 63.200 -0.007 0.000 0.790 352 S HN 0.039 nan 8.310 nan 0.000 0.504 353 I N 2.691 123.239 120.570 -0.037 0.000 2.428 353 I HA 0.212 4.382 4.170 0.000 0.000 0.289 353 I C 0.391 176.492 176.117 -0.027 0.000 1.019 353 I CA -0.610 60.666 61.300 -0.041 0.000 1.351 353 I CB 0.703 38.659 38.000 -0.073 0.000 1.412 353 I HN 0.145 nan 8.210 nan 0.000 0.513 354 D N 8.273 128.664 120.400 -0.016 0.000 2.581 354 D HA -0.052 4.589 4.640 0.000 0.000 0.238 354 D C -1.660 174.642 176.300 0.004 0.000 1.145 354 D CA -0.757 53.240 54.000 -0.005 0.000 0.866 354 D CB 1.304 42.105 40.800 0.001 0.000 1.151 354 D HN 0.247 nan 8.370 nan 0.000 0.500 355 P HA -0.054 nan 4.420 nan 0.000 0.223 355 P C 0.900 178.215 177.300 0.026 0.000 1.151 355 P CA 0.869 63.974 63.100 0.008 0.000 0.787 355 P CB 0.163 31.865 31.700 0.002 0.000 0.788 356 A N -0.590 122.246 122.820 0.025 0.000 1.972 356 A HA -0.150 4.170 4.320 0.000 0.000 0.219 356 A C 2.011 179.627 177.584 0.054 0.000 1.169 356 A CA 1.320 53.376 52.037 0.032 0.000 0.635 356 A CB -1.585 17.427 19.000 0.019 0.000 0.810 356 A HN 0.151 nan 8.150 nan 0.000 0.446 357 L N -1.640 119.629 121.223 0.076 0.000 2.376 357 L HA 0.072 4.413 4.340 0.000 0.000 0.219 357 L C 2.352 179.348 176.870 0.210 0.000 1.133 357 L CA 1.054 55.989 54.840 0.158 0.000 0.816 357 L CB -0.092 42.071 42.059 0.174 0.000 0.933 357 L HN 0.283 nan 8.230 nan 0.000 0.449 358 R N -1.517 119.056 120.500 0.122 0.000 2.362 358 R HA 0.148 4.488 4.340 0.000 0.000 0.227 358 R C 0.633 176.984 176.300 0.086 0.000 0.905 358 R CA -0.175 55.993 56.100 0.113 0.000 1.067 358 R CB 0.289 30.619 30.300 0.050 0.000 1.078 358 R HN 0.084 nan 8.270 nan 0.000 0.516 359 R N -0.578 119.969 120.500 0.078 0.000 2.649 359 R HA 0.096 4.436 4.340 0.000 0.000 0.270 359 R C -0.612 175.750 176.300 0.104 0.000 1.105 359 R CA -0.397 55.758 56.100 0.093 0.000 1.193 359 R CB 0.207 30.558 30.300 0.085 0.000 1.120 359 R HN -0.054 nan 8.270 nan 0.000 0.561 360 F N 0.988 120.936 119.950 -0.004 0.000 2.612 360 F HA 0.104 4.631 4.527 0.000 0.000 0.389 360 F C 1.388 177.169 175.800 -0.031 0.000 1.055 360 F CA 2.232 60.223 58.000 -0.014 0.000 1.232 360 F CB 0.214 39.208 39.000 -0.010 0.000 1.044 360 F HN 0.723 nan 8.300 nan 0.000 0.560 361 G N 4.212 112.673 108.800 -0.566 0.000 2.284 361 G HA2 -0.317 3.643 3.960 0.000 0.000 0.230 361 G HA3 -0.317 3.643 3.960 0.000 0.000 0.230 361 G C 0.906 175.628 174.900 -0.296 0.000 1.021 361 G CA 0.343 45.196 45.100 -0.412 0.000 0.619 361 G HN 0.694 nan 8.290 nan 0.000 0.510 362 R N -0.496 119.869 120.500 -0.225 0.000 1.177 362 R HA 0.663 5.004 4.340 0.000 0.000 0.084 362 R C 0.243 176.290 176.300 -0.421 0.000 1.117 362 R CA -0.066 55.867 56.100 -0.279 0.000 2.033 362 R CB -0.541 29.701 30.300 -0.096 0.000 0.945 362 R HN 0.099 nan 8.270 nan 0.000 0.717 363 F N 2.412 122.328 119.950 -0.057 0.000 2.652 363 F HA 0.091 4.618 4.527 0.001 0.000 0.352 363 F C 0.427 176.195 175.800 -0.053 0.000 1.259 363 F CA -0.224 57.742 58.000 -0.056 0.000 1.249 363 F CB -0.068 38.906 39.000 -0.043 0.000 1.628 363 F HN 0.400 nan 8.300 nan 0.000 0.654 364 D N -0.103 120.278 120.400 -0.031 0.000 2.342 364 D HA 0.031 4.671 4.640 0.000 0.000 0.221 364 D C 0.495 176.801 176.300 0.010 0.000 1.101 364 D CA 0.072 54.056 54.000 -0.027 0.000 0.837 364 D CB 0.195 40.898 40.800 -0.161 0.000 0.938 364 D HN 0.110 nan 8.370 nan 0.000 0.508 365 R N 0.677 121.204 120.500 0.045 0.000 2.628 365 R HA 0.436 4.776 4.340 0.000 0.000 0.288 365 R C -0.513 175.862 176.300 0.125 0.000 0.980 365 R CA -0.410 55.733 56.100 0.071 0.000 0.891 365 R CB 2.035 32.361 30.300 0.043 0.000 1.188 365 R HN 0.162 nan 8.270 nan 0.000 0.450 366 E N 1.751 122.039 120.200 0.146 0.000 2.248 366 E HA 0.430 4.780 4.350 0.000 0.000 0.267 366 E C -0.786 175.950 176.600 0.227 0.000 0.877 366 E CA -1.016 55.523 56.400 0.231 0.000 0.759 366 E CB 2.988 32.854 29.700 0.276 0.000 1.182 366 E HN 0.085 nan 8.360 nan 0.000 0.418 367 V N 2.172 122.202 119.914 0.193 0.000 2.378 367 V HA 0.093 4.213 4.120 0.000 0.000 0.288 367 V C -0.470 175.529 176.094 -0.158 0.000 1.016 367 V CA -0.776 61.558 62.300 0.057 0.000 0.840 367 V CB 1.544 33.398 31.823 0.052 0.000 0.994 367 V HN 0.629 nan 8.190 nan 0.000 0.431 368 D N 5.520 125.738 120.400 -0.302 0.000 2.453 368 D HA 0.169 4.809 4.640 0.000 0.000 0.223 368 D C 0.101 176.177 176.300 -0.373 0.000 1.183 368 D CA -0.407 53.159 54.000 -0.723 0.000 0.933 368 D CB 0.393 40.925 40.800 -0.447 0.000 1.038 368 D HN 0.271 nan 8.370 nan 0.000 0.513 369 I N 4.093 124.464 120.570 -0.332 0.000 2.278 369 I HA 0.267 4.438 4.170 0.000 0.000 0.300 369 I C 1.336 177.362 176.117 -0.152 0.000 1.174 369 I CA -0.303 60.902 61.300 -0.158 0.000 1.347 369 I CB -0.278 37.678 38.000 -0.073 0.000 1.473 369 I HN 0.255 nan 8.210 nan 0.000 0.595 370 G N 5.651 114.373 108.800 -0.130 0.000 2.531 370 G HA2 0.583 4.544 3.960 0.000 0.000 0.281 370 G HA3 0.583 4.544 3.960 0.000 0.000 0.281 370 G C 0.057 174.924 174.900 -0.055 0.000 1.382 370 G CA -0.829 44.216 45.100 -0.091 0.000 1.045 370 G HN 0.431 nan 8.290 nan 0.000 0.533 371 I N 2.430 122.974 120.570 -0.044 0.000 2.598 371 I HA 0.125 4.295 4.170 0.000 0.000 0.284 371 I C -1.402 174.685 176.117 -0.050 0.000 1.140 371 I CA -0.972 60.301 61.300 -0.045 0.000 1.420 371 I CB 0.847 38.816 38.000 -0.053 0.000 1.387 371 I HN 0.231 nan 8.210 nan 0.000 0.553 372 P HA 0.105 nan 4.420 nan 0.000 0.275 372 P C -0.950 176.314 177.300 -0.060 0.000 1.227 372 P CA -0.470 62.607 63.100 -0.040 0.000 0.781 372 P CB 0.531 32.218 31.700 -0.022 0.000 0.906 373 D N 1.614 121.984 120.400 -0.049 0.000 2.380 373 D HA 0.057 4.697 4.640 0.000 0.000 0.254 373 D C 1.346 177.621 176.300 -0.043 0.000 1.288 373 D CA -0.374 53.595 54.000 -0.051 0.000 1.008 373 D CB -0.175 40.609 40.800 -0.026 0.000 1.099 373 D HN 0.298 nan 8.370 nan 0.000 0.537 374 A N -0.354 122.449 122.820 -0.029 0.000 1.917 374 A HA -0.191 4.129 4.320 0.000 0.000 0.219 374 A C 2.154 179.726 177.584 -0.019 0.000 1.182 374 A CA 2.681 54.707 52.037 -0.019 0.000 0.633 374 A CB -1.354 17.645 19.000 -0.002 0.000 0.819 374 A HN 0.699 nan 8.150 nan 0.000 0.448 375 T N -0.467 114.078 114.554 -0.015 0.000 2.857 375 T HA 0.040 4.390 4.350 0.000 0.000 0.266 375 T C 1.987 176.680 174.700 -0.011 0.000 1.048 375 T CA 1.149 63.242 62.100 -0.012 0.000 1.139 375 T CB -0.722 68.141 68.868 -0.009 0.000 0.874 375 T HN 0.563 nan 8.240 nan 0.000 0.455 376 G N 2.112 110.904 108.800 -0.013 0.000 2.514 376 G HA2 -0.272 3.689 3.960 0.000 0.000 0.217 376 G HA3 -0.272 3.689 3.960 0.000 0.000 0.217 376 G C 1.694 176.591 174.900 -0.005 0.000 1.198 376 G CA 0.613 45.707 45.100 -0.009 0.000 0.780 376 G HN 0.422 nan 8.290 nan 0.000 0.565 377 R N -0.314 120.178 120.500 -0.014 0.000 2.103 377 R HA -0.105 4.235 4.340 0.000 0.000 0.242 377 R C 2.518 178.810 176.300 -0.014 0.000 1.142 377 R CA 1.382 57.472 56.100 -0.016 0.000 0.960 377 R CB -0.658 29.621 30.300 -0.035 0.000 0.858 377 R HN 0.399 nan 8.270 nan 0.000 0.439 378 L N 1.565 122.777 121.223 -0.020 0.000 2.012 378 L HA -0.176 4.164 4.340 0.000 0.000 0.210 378 L C 1.914 178.781 176.870 -0.004 0.000 1.073 378 L CA 1.849 56.676 54.840 -0.022 0.000 0.748 378 L CB -0.410 41.634 42.059 -0.025 0.000 0.891 378 L HN 0.134 nan 8.230 nan 0.000 0.431 379 E N -0.304 119.899 120.200 0.005 0.000 2.058 379 E HA -0.247 4.103 4.350 0.000 0.000 0.194 379 E C 2.230 178.855 176.600 0.041 0.000 0.997 379 E CA 1.955 58.365 56.400 0.017 0.000 0.801 379 E CB -0.279 29.430 29.700 0.016 0.000 0.746 379 E HN 0.615 nan 8.360 nan 0.000 0.450 380 I N 0.868 121.470 120.570 0.053 0.000 2.286 380 I HA -0.277 3.893 4.170 0.000 0.000 0.248 380 I C 2.310 178.520 176.117 0.156 0.000 1.115 380 I CA 0.910 62.276 61.300 0.109 0.000 1.392 380 I CB -0.178 37.868 38.000 0.076 0.000 1.065 380 I HN 0.085 nan 8.210 nan 0.000 0.418 381 L N -0.118 121.155 121.223 0.084 0.000 2.093 381 L HA -0.205 4.135 4.340 0.000 0.000 0.208 381 L C 2.611 179.530 176.870 0.082 0.000 1.085 381 L CA 1.314 56.206 54.840 0.087 0.000 0.755 381 L CB -0.553 41.510 42.059 0.007 0.000 0.904 381 L HN 0.267 nan 8.230 nan 0.000 0.435 382 Q N -0.070 119.756 119.800 0.043 0.000 2.124 382 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 382 Q C 2.305 178.323 176.000 0.031 0.000 0.977 382 Q CA 1.418 57.237 55.803 0.026 0.000 0.850 382 Q CB -0.081 28.662 28.738 0.008 0.000 0.901 382 Q HN 0.532 nan 8.270 nan 0.000 0.429 383 I N -0.565 120.030 120.570 0.042 0.000 2.353 383 I HA -0.228 3.942 4.170 0.000 0.000 0.248 383 I C 1.620 177.678 176.117 -0.098 0.000 1.119 383 I CA 1.062 62.353 61.300 -0.014 0.000 1.417 383 I CB -0.100 37.896 38.000 -0.006 0.000 1.078 383 I HN 0.193 nan 8.210 nan 0.000 0.421 384 H N -0.196 118.894 119.070 0.033 0.000 2.529 384 H HA -0.040 4.517 4.556 0.001 0.000 0.277 384 H C 1.824 177.190 175.328 0.062 0.000 0.999 384 H CA 1.607 57.683 56.048 0.047 0.000 1.256 384 H CB 0.077 29.875 29.762 0.061 0.000 1.402 384 H HN 0.344 nan 8.280 nan 0.000 0.566 385 T N -2.379 112.246 114.554 0.117 0.000 3.085 385 T HA 0.045 4.396 4.350 0.000 0.000 0.264 385 T C 1.539 176.270 174.700 0.052 0.000 1.019 385 T CA -0.308 61.858 62.100 0.111 0.000 0.910 385 T CB 0.141 69.093 68.868 0.139 0.000 1.059 385 T HN 0.423 nan 8.240 nan 0.000 0.542 386 K N 1.611 122.019 120.400 0.013 0.000 2.211 386 K HA 0.022 4.342 4.320 0.000 0.000 0.203 386 K C 1.289 177.888 176.600 -0.002 0.000 1.050 386 K CA 1.111 57.397 56.287 -0.002 0.000 0.945 386 K CB -0.171 32.316 32.500 -0.022 0.000 0.732 386 K HN 0.156 nan 8.250 nan 0.000 0.451 387 N N -0.002 118.696 118.700 -0.002 0.000 2.205 387 N HA 0.163 4.903 4.740 0.000 0.000 0.201 387 N C -0.258 175.261 175.510 0.016 0.000 1.128 387 N CA 0.168 53.217 53.050 -0.001 0.000 0.867 387 N CB 0.428 38.906 38.487 -0.016 0.000 0.996 387 N HN 0.228 nan 8.380 nan 0.000 0.503 388 M N 0.664 120.286 119.600 0.036 0.000 2.314 388 M HA 0.210 4.690 4.480 0.000 0.000 0.342 388 M C 0.304 176.635 176.300 0.051 0.000 1.171 388 M CA -0.173 55.159 55.300 0.054 0.000 1.098 388 M CB 1.524 34.182 32.600 0.096 0.000 1.559 388 M HN -0.351 nan 8.290 nan 0.000 0.459 389 K N 3.903 124.330 120.400 0.045 0.000 2.310 389 K HA 0.413 4.733 4.320 0.000 0.000 0.290 389 K C -1.121 175.519 176.600 0.068 0.000 1.077 389 K CA -0.006 56.307 56.287 0.043 0.000 0.922 389 K CB 0.262 32.779 32.500 0.027 0.000 1.057 389 K HN 0.555 nan 8.250 nan 0.000 0.479 390 L N 2.201 123.467 121.223 0.073 0.000 2.331 390 L HA 0.492 4.833 4.340 0.000 0.000 0.275 390 L C 0.345 177.256 176.870 0.067 0.000 1.022 390 L CA -1.002 53.897 54.840 0.098 0.000 0.812 390 L CB 1.713 43.830 42.059 0.097 0.000 1.257 390 L HN 0.571 nan 8.230 nan 0.000 0.435 391 A N 0.533 123.400 122.820 0.078 0.000 2.332 391 A HA 0.078 4.399 4.320 0.000 0.000 0.258 391 A C 0.912 178.516 177.584 0.033 0.000 1.087 391 A CA -0.274 51.794 52.037 0.052 0.000 0.802 391 A CB 0.356 19.392 19.000 0.061 0.000 1.042 391 A HN 0.887 nan 8.150 nan 0.000 0.489 392 D N 0.491 120.904 120.400 0.022 0.000 2.149 392 D HA -0.220 4.421 4.640 0.000 0.000 0.194 392 D C 1.172 177.476 176.300 0.007 0.000 1.001 392 D CA 2.095 56.102 54.000 0.012 0.000 0.849 392 D CB -0.041 40.765 40.800 0.010 0.000 0.939 392 D HN 0.715 nan 8.370 nan 0.000 0.449 393 D N -0.473 119.936 120.400 0.015 0.000 2.355 393 D HA -0.071 4.569 4.640 0.000 0.000 0.218 393 D C 0.421 176.721 176.300 -0.000 0.000 1.004 393 D CA -0.112 53.894 54.000 0.011 0.000 0.880 393 D CB -0.392 40.421 40.800 0.021 0.000 0.911 393 D HN 0.007 nan 8.370 nan 0.000 0.528 394 V N 1.621 121.532 119.914 -0.005 0.000 2.421 394 V HA 0.080 4.200 4.120 0.000 0.000 0.271 394 V C -0.032 175.994 176.094 -0.113 0.000 1.031 394 V CA -0.163 62.100 62.300 -0.062 0.000 1.032 394 V CB 0.465 32.256 31.823 -0.053 0.000 1.009 394 V HN 0.081 nan 8.190 nan 0.000 0.477 395 D N 4.633 124.950 120.400 -0.138 0.000 2.460 395 D HA 0.382 5.023 4.640 0.000 0.000 0.232 395 D C 0.539 176.725 176.300 -0.190 0.000 1.079 395 D CA -0.494 53.429 54.000 -0.127 0.000 0.864 395 D CB 1.530 42.284 40.800 -0.077 0.000 1.048 395 D HN 0.266 nan 8.370 nan 0.000 0.523 396 L N 2.792 123.895 121.223 -0.200 0.000 2.156 396 L HA 0.092 4.433 4.340 0.000 0.000 0.208 396 L C 2.188 178.970 176.870 -0.146 0.000 1.095 396 L CA 0.872 55.574 54.840 -0.231 0.000 0.770 396 L CB -0.413 41.532 42.059 -0.190 0.000 0.914 396 L HN 0.440 nan 8.230 nan 0.000 0.439 397 E N -0.088 120.052 120.200 -0.101 0.000 2.085 397 E HA -0.320 4.030 4.350 0.000 0.000 0.194 397 E C 2.192 178.751 176.600 -0.068 0.000 0.994 397 E CA 1.387 57.746 56.400 -0.069 0.000 0.801 397 E CB -0.030 29.641 29.700 -0.050 0.000 0.743 397 E HN 0.443 nan 8.360 nan 0.000 0.453 398 Q N 0.571 120.326 119.800 -0.076 0.000 2.096 398 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 398 Q C 1.982 177.937 176.000 -0.074 0.000 0.982 398 Q CA 1.583 57.348 55.803 -0.064 0.000 0.850 398 Q CB -0.091 28.612 28.738 -0.058 0.000 0.901 398 Q HN 0.120 nan 8.270 nan 0.000 0.422 399 V N 0.700 120.544 119.914 -0.116 0.000 2.379 399 V HA -0.184 3.937 4.120 0.000 0.000 0.245 399 V C 2.332 178.361 176.094 -0.109 0.000 1.044 399 V CA 1.551 63.779 62.300 -0.120 0.000 1.036 399 V CB -1.300 30.398 31.823 -0.209 0.000 0.664 399 V HN 0.529 nan 8.190 nan 0.000 0.453 400 A N 0.655 123.416 122.820 -0.097 0.000 1.908 400 A HA -0.229 4.091 4.320 0.000 0.000 0.218 400 A C 2.048 179.597 177.584 -0.059 0.000 1.181 400 A CA 2.075 54.066 52.037 -0.077 0.000 0.627 400 A CB -0.611 18.354 19.000 -0.058 0.000 0.818 400 A HN 0.594 nan 8.150 nan 0.000 0.445 401 N N -0.169 118.504 118.700 -0.044 0.000 2.331 401 N HA -0.072 4.668 4.740 0.000 0.000 0.180 401 N C 1.152 176.657 175.510 -0.008 0.000 1.019 401 N CA 0.991 54.031 53.050 -0.017 0.000 0.881 401 N CB -0.224 38.255 38.487 -0.013 0.000 0.972 401 N HN 0.656 nan 8.380 nan 0.000 0.435 402 E N -0.104 120.075 120.200 -0.036 0.000 2.476 402 E HA 0.024 4.374 4.350 0.000 0.000 0.191 402 E C 0.015 176.580 176.600 -0.059 0.000 1.064 402 E CA 0.290 56.672 56.400 -0.030 0.000 0.866 402 E CB 0.214 29.896 29.700 -0.030 0.000 0.952 402 E HN 0.301 nan 8.360 nan 0.000 0.492 403 T N -2.876 111.618 114.554 -0.101 0.000 3.393 403 T HA 0.128 4.478 4.350 0.000 0.000 0.255 403 T C 0.651 175.389 174.700 0.064 0.000 1.008 403 T CA -0.532 61.417 62.100 -0.251 0.000 1.053 403 T CB 0.054 68.540 68.868 -0.635 0.000 1.120 403 T HN 0.098 nan 8.240 nan 0.000 0.538 404 H N 2.203 121.316 119.070 0.072 0.000 2.321 404 H HA -0.054 4.502 4.556 0.000 0.000 0.295 404 H C 2.251 177.652 175.328 0.122 0.000 1.102 404 H CA 2.514 58.609 56.048 0.079 0.000 1.266 404 H CB -0.408 29.383 29.762 0.048 0.000 1.363 404 H HN 0.553 nan 8.280 nan 0.000 0.492 405 G N -1.620 107.335 108.800 0.258 0.000 2.813 405 G HA2 -0.083 3.877 3.960 0.000 0.000 0.209 405 G HA3 -0.083 3.877 3.960 0.000 0.000 0.209 405 G C -0.318 174.596 174.900 0.023 0.000 1.150 405 G CA -0.063 45.100 45.100 0.105 0.000 0.785 405 G HN 0.407 nan 8.290 nan 0.000 0.535 406 H N -0.215 118.828 119.070 -0.045 0.000 2.646 406 H HA 0.404 4.961 4.556 0.001 0.000 0.325 406 H C 0.662 175.959 175.328 -0.053 0.000 1.075 406 H CA -0.551 55.474 56.048 -0.040 0.000 1.421 406 H CB 1.505 31.250 29.762 -0.029 0.000 1.461 406 H HN 0.087 nan 8.280 nan 0.000 0.525 407 V N 0.900 120.836 119.914 0.038 0.000 3.262 407 V HA 0.503 4.623 4.120 0.000 0.000 0.313 407 V C 1.532 177.637 176.094 0.018 0.000 1.070 407 V CA -0.042 62.264 62.300 0.011 0.000 1.049 407 V CB 1.015 32.830 31.823 -0.015 0.000 1.157 407 V HN 0.811 nan 8.190 nan 0.000 0.454 408 G N -0.275 108.526 108.800 0.002 0.000 2.442 408 G HA2 -0.158 3.802 3.960 0.000 0.000 0.219 408 G HA3 -0.158 3.802 3.960 0.000 0.000 0.219 408 G C 1.467 176.328 174.900 -0.065 0.000 1.141 408 G CA 1.295 46.385 45.100 -0.016 0.000 0.763 408 G HN 1.437 nan 8.290 nan 0.000 0.554 409 A N 1.046 123.844 122.820 -0.038 0.000 1.933 409 A HA -0.061 4.259 4.320 0.000 0.000 0.218 409 A C 2.088 179.642 177.584 -0.050 0.000 1.175 409 A CA 1.998 54.006 52.037 -0.047 0.000 0.628 409 A CB -0.360 18.626 19.000 -0.023 0.000 0.814 409 A HN 0.302 nan 8.150 nan 0.000 0.444 410 D N 0.030 120.415 120.400 -0.024 0.000 2.144 410 D HA -0.102 4.538 4.640 0.000 0.000 0.199 410 D C 1.948 178.297 176.300 0.081 0.000 0.984 410 D CA 1.091 55.098 54.000 0.012 0.000 0.834 410 D CB -0.232 40.544 40.800 -0.040 0.000 0.955 410 D HN 0.466 nan 8.370 nan 0.000 0.465 411 L N 0.795 122.044 121.223 0.043 0.000 2.109 411 L HA -0.090 4.250 4.340 0.000 0.000 0.207 411 L C 2.634 179.426 176.870 -0.130 0.000 1.086 411 L CA 0.872 55.708 54.840 -0.007 0.000 0.760 411 L CB -0.364 41.676 42.059 -0.032 0.000 0.910 411 L HN -0.050 nan 8.230 nan 0.000 0.437 412 A N 0.239 122.866 122.820 -0.321 0.000 1.877 412 A HA -0.199 4.122 4.320 0.000 0.000 0.216 412 A C 2.541 180.050 177.584 -0.125 0.000 1.186 412 A CA 1.836 53.598 52.037 -0.459 0.000 0.620 412 A CB -0.780 17.932 19.000 -0.479 0.000 0.822 412 A HN 0.388 nan 8.150 nan 0.000 0.443 413 A N -0.607 122.172 122.820 -0.069 0.000 1.933 413 A HA -0.054 4.266 4.320 0.000 0.000 0.218 413 A C 2.177 179.759 177.584 -0.003 0.000 1.175 413 A CA 1.699 53.724 52.037 -0.019 0.000 0.628 413 A CB -0.633 18.359 19.000 -0.014 0.000 0.814 413 A HN 0.696 nan 8.150 nan 0.000 0.444 414 L N -0.531 120.702 121.223 0.016 0.000 2.046 414 L HA -0.190 4.150 4.340 0.000 0.000 0.208 414 L C 2.466 179.334 176.870 -0.004 0.000 1.077 414 L CA 2.298 57.160 54.840 0.036 0.000 0.747 414 L CB -0.540 41.575 42.059 0.093 0.000 0.896 414 L HN 0.446 nan 8.230 nan 0.000 0.432 415 C N -1.595 117.723 119.300 0.031 0.000 2.435 415 C HA -0.094 4.366 4.460 0.000 0.000 0.279 415 C C 3.173 178.133 174.990 -0.050 0.000 1.321 415 C CA 1.080 60.111 59.018 0.022 0.000 1.752 415 C CB -0.880 26.961 27.740 0.168 0.000 1.959 415 C HN 0.697 nan 8.230 nan 0.000 0.500 416 S N 0.080 115.774 115.700 -0.009 0.000 2.383 416 S HA -0.133 4.337 4.470 0.000 0.000 0.227 416 S C 1.951 176.542 174.600 -0.015 0.000 1.026 416 S CA 1.330 59.529 58.200 -0.002 0.000 0.981 416 S CB -0.238 62.971 63.200 0.015 0.000 0.818 416 S HN 0.567 nan 8.310 nan 0.000 0.472 417 E N 0.845 121.040 120.200 -0.008 0.000 2.158 417 E HA 0.067 4.417 4.350 0.000 0.000 0.191 417 E C 2.246 178.881 176.600 0.059 0.000 0.982 417 E CA 0.917 57.356 56.400 0.064 0.000 0.823 417 E CB -0.431 29.326 29.700 0.096 0.000 0.766 417 E HN 0.549 nan 8.360 nan 0.000 0.468 418 A N 1.256 123.997 122.820 -0.133 0.000 1.930 418 A HA -0.029 4.292 4.320 0.000 0.000 0.217 418 A C 2.363 179.801 177.584 -0.243 0.000 1.175 418 A CA 1.684 53.536 52.037 -0.307 0.000 0.627 418 A CB -0.370 18.018 19.000 -1.019 0.000 0.815 418 A HN 0.243 nan 8.150 nan 0.000 0.443 419 A N -0.576 122.129 122.820 -0.192 0.000 1.930 419 A HA 0.010 4.331 4.320 0.000 0.000 0.217 419 A C 2.152 179.692 177.584 -0.073 0.000 1.175 419 A CA 1.408 53.382 52.037 -0.106 0.000 0.627 419 A CB -0.505 18.458 19.000 -0.061 0.000 0.815 419 A HN 0.481 nan 8.150 nan 0.000 0.443 420 L N -1.105 120.088 121.223 -0.051 0.000 2.156 420 L HA -0.177 4.163 4.340 0.000 0.000 0.208 420 L C 2.729 179.535 176.870 -0.107 0.000 1.095 420 L CA 1.684 56.496 54.840 -0.047 0.000 0.770 420 L CB -0.157 41.903 42.059 0.002 0.000 0.914 420 L HN 0.499 nan 8.230 nan 0.000 0.439 421 Q N -0.282 119.438 119.800 -0.133 0.000 2.079 421 Q HA -0.173 4.167 4.340 0.000 0.000 0.200 421 Q C 2.122 178.004 176.000 -0.198 0.000 0.974 421 Q CA 1.950 57.589 55.803 -0.274 0.000 0.840 421 Q CB -0.240 28.347 28.738 -0.252 0.000 0.898 421 Q HN 0.509 nan 8.270 nan 0.000 0.430 422 A N -0.065 122.680 122.820 -0.126 0.000 1.972 422 A HA -0.138 4.182 4.320 0.000 0.000 0.219 422 A C 2.060 179.594 177.584 -0.083 0.000 1.169 422 A CA 1.413 53.397 52.037 -0.089 0.000 0.635 422 A CB -0.657 18.306 19.000 -0.061 0.000 0.810 422 A HN 0.484 nan 8.150 nan 0.000 0.446 423 I N -1.334 119.184 120.570 -0.086 0.000 2.286 423 I HA -0.197 3.973 4.170 0.000 0.000 0.245 423 I C 2.702 178.763 176.117 -0.093 0.000 1.104 423 I CA 1.082 62.337 61.300 -0.074 0.000 1.397 423 I CB -0.258 37.706 38.000 -0.060 0.000 1.072 423 I HN 0.239 nan 8.210 nan 0.000 0.417 424 R N 0.821 121.240 120.500 -0.135 0.000 2.120 424 R HA -0.158 4.182 4.340 0.000 0.000 0.234 424 R C 2.192 178.408 176.300 -0.140 0.000 1.123 424 R CA 1.263 57.267 56.100 -0.159 0.000 0.975 424 R CB -0.096 30.051 30.300 -0.254 0.000 0.866 424 R HN 0.308 nan 8.270 nan 0.000 0.446 425 K N -0.182 120.137 120.400 -0.135 0.000 2.211 425 K HA -0.122 4.199 4.320 0.000 0.000 0.203 425 K C 1.492 178.048 176.600 -0.072 0.000 1.050 425 K CA 0.960 57.185 56.287 -0.103 0.000 0.945 425 K CB 0.117 32.562 32.500 -0.092 0.000 0.732 425 K HN -0.156 nan 8.250 nan 0.000 0.451 426 K N 0.106 120.466 120.400 -0.066 0.000 2.410 426 K HA 0.178 4.499 4.320 0.000 0.000 0.200 426 K C 1.185 177.757 176.600 -0.047 0.000 1.023 426 K CA 0.046 56.303 56.287 -0.049 0.000 1.149 426 K CB 0.330 32.805 32.500 -0.042 0.000 0.859 426 K HN -0.053 nan 8.250 nan 0.000 0.514 427 M N 0.774 120.340 119.600 -0.056 0.000 2.358 427 M HA -0.124 4.356 4.480 0.000 0.000 0.264 427 M C 0.560 176.836 176.300 -0.040 0.000 1.064 427 M CA 1.376 56.646 55.300 -0.050 0.000 1.093 427 M CB -0.410 32.154 32.600 -0.060 0.000 1.401 427 M HN 0.156 nan 8.290 nan 0.000 0.440 428 D N 0.052 120.429 120.400 -0.038 0.000 2.144 428 D HA -0.064 4.576 4.640 0.000 0.000 0.200 428 D C 1.663 177.948 176.300 -0.025 0.000 0.978 428 D CA 1.136 55.117 54.000 -0.030 0.000 0.833 428 D CB 0.112 40.894 40.800 -0.029 0.000 0.961 428 D HN 0.322 nan 8.370 nan 0.000 0.470 429 L N 0.247 121.455 121.223 -0.026 0.000 2.611 429 L HA 0.223 4.564 4.340 0.000 0.000 0.229 429 L C 0.541 177.398 176.870 -0.022 0.000 1.137 429 L CA 0.250 55.077 54.840 -0.022 0.000 0.901 429 L CB 0.244 42.291 42.059 -0.020 0.000 1.098 429 L HN -0.143 nan 8.230 nan 0.000 0.456 430 I N -1.254 119.301 120.570 -0.025 0.000 2.569 430 I HA 0.388 4.558 4.170 0.000 0.000 0.296 430 I C -0.994 175.109 176.117 -0.023 0.000 1.028 430 I CA -0.565 60.721 61.300 -0.024 0.000 1.082 430 I CB 2.245 40.228 38.000 -0.028 0.000 1.264 430 I HN -0.167 nan 8.210 nan 0.000 0.429 431 D N 2.961 123.348 120.400 -0.020 0.000 2.819 431 D HA 0.316 4.956 4.640 0.000 0.000 0.232 431 D C 0.246 176.536 176.300 -0.018 0.000 1.160 431 D CA -0.531 53.457 54.000 -0.019 0.000 0.858 431 D CB 2.517 43.307 40.800 -0.017 0.000 1.610 431 D HN 0.294 nan 8.370 nan 0.000 0.481 432 L N 2.316 123.529 121.223 -0.017 0.000 2.191 432 L HA -0.047 4.293 4.340 0.000 0.000 0.212 432 L C 1.656 178.518 176.870 -0.013 0.000 1.103 432 L CA 1.666 56.497 54.840 -0.016 0.000 0.769 432 L CB -0.038 42.011 42.059 -0.015 0.000 0.908 432 L HN 0.475 nan 8.230 nan 0.000 0.438 433 E N -0.433 119.759 120.200 -0.013 0.000 2.285 433 E HA -0.028 4.322 4.350 0.000 0.000 0.194 433 E C 0.146 176.739 176.600 -0.011 0.000 0.997 433 E CA 0.127 56.520 56.400 -0.011 0.000 0.845 433 E CB -0.425 29.269 29.700 -0.011 0.000 0.782 433 E HN 0.542 nan 8.360 nan 0.000 0.491 434 D N 1.386 121.779 120.400 -0.012 0.000 2.400 434 D HA -0.037 4.603 4.640 0.000 0.000 0.238 434 D C 1.096 177.389 176.300 -0.012 0.000 1.157 434 D CA 0.105 54.098 54.000 -0.012 0.000 0.889 434 D CB 1.217 42.009 40.800 -0.013 0.000 1.199 434 D HN 0.022 nan 8.370 nan 0.000 0.436 435 E N -0.186 120.007 120.200 -0.011 0.000 2.046 435 E HA -0.085 4.265 4.350 0.000 0.000 0.190 435 E C 0.110 176.702 176.600 -0.013 0.000 0.982 435 E CA 0.891 57.284 56.400 -0.012 0.000 0.800 435 E CB 0.386 30.079 29.700 -0.011 0.000 0.756 435 E HN 0.632 nan 8.360 nan 0.000 0.449 436 T N -1.770 112.777 114.554 -0.013 0.000 2.883 436 T HA 0.518 4.868 4.350 0.000 0.000 0.296 436 T C -0.159 174.533 174.700 -0.014 0.000 1.117 436 T CA -0.817 61.274 62.100 -0.014 0.000 1.006 436 T CB 1.548 70.407 68.868 -0.014 0.000 1.191 436 T HN -0.014 nan 8.240 nan 0.000 0.508 437 I N 1.665 122.226 120.570 -0.015 0.000 2.474 437 I HA 0.205 4.376 4.170 0.000 0.000 0.287 437 I C 0.552 176.661 176.117 -0.015 0.000 1.048 437 I CA -0.260 61.031 61.300 -0.016 0.000 1.383 437 I CB 0.726 38.715 38.000 -0.017 0.000 1.412 437 I HN 0.782 nan 8.210 nan 0.000 0.531 438 D N 4.562 124.954 120.400 -0.014 0.000 2.583 438 D HA -0.011 4.629 4.640 0.000 0.000 0.232 438 D C 1.027 177.320 176.300 -0.013 0.000 1.128 438 D CA 0.713 54.705 54.000 -0.013 0.000 0.859 438 D CB 1.079 41.871 40.800 -0.013 0.000 1.169 438 D HN 0.615 nan 8.370 nan 0.000 0.481 439 A N 3.846 126.659 122.820 -0.012 0.000 1.851 439 A HA -0.256 4.064 4.320 0.000 0.000 0.216 439 A C 1.944 179.522 177.584 -0.010 0.000 1.195 439 A CA 2.049 54.079 52.037 -0.011 0.000 0.622 439 A CB -0.888 18.106 19.000 -0.010 0.000 0.831 439 A HN 0.792 nan 8.150 nan 0.000 0.444 440 E N 0.327 120.521 120.200 -0.009 0.000 2.070 440 E HA -0.161 4.189 4.350 0.000 0.000 0.197 440 E C 1.678 178.272 176.600 -0.010 0.000 1.004 440 E CA 2.126 58.521 56.400 -0.009 0.000 0.805 440 E CB -0.859 28.836 29.700 -0.008 0.000 0.744 440 E HN 0.247 nan 8.360 nan 0.000 0.451 441 V N 0.453 120.360 119.914 -0.012 0.000 2.332 441 V HA -0.286 3.834 4.120 0.000 0.000 0.248 441 V C 2.589 178.675 176.094 -0.014 0.000 1.055 441 V CA 2.181 64.473 62.300 -0.014 0.000 1.038 441 V CB -0.604 31.210 31.823 -0.016 0.000 0.651 441 V HN 0.330 nan 8.190 nan 0.000 0.450 442 M N 0.650 120.242 119.600 -0.013 0.000 2.159 442 M HA -0.177 4.303 4.480 0.000 0.000 0.263 442 M C 1.770 178.064 176.300 -0.009 0.000 1.063 442 M CA 2.099 57.392 55.300 -0.012 0.000 1.110 442 M CB -0.707 31.886 32.600 -0.013 0.000 1.374 442 M HN 0.500 nan 8.290 nan 0.000 0.411 443 N N -1.161 117.534 118.700 -0.008 0.000 2.250 443 N HA -0.097 4.643 4.740 0.000 0.000 0.181 443 N C 1.480 176.988 175.510 -0.003 0.000 1.017 443 N CA 1.331 54.377 53.050 -0.005 0.000 0.866 443 N CB -0.259 38.225 38.487 -0.005 0.000 0.985 443 N HN 0.413 nan 8.380 nan 0.000 0.429 444 S N 0.838 116.535 115.700 -0.005 0.000 2.507 444 S HA -0.007 4.464 4.470 0.000 0.000 0.235 444 S C 0.727 175.326 174.600 -0.003 0.000 0.988 444 S CA 0.146 58.344 58.200 -0.003 0.000 0.944 444 S CB -0.618 62.578 63.200 -0.006 0.000 0.762 444 S HN 0.199 nan 8.310 nan 0.000 0.526 445 L N 2.538 123.758 121.223 -0.005 0.000 2.742 445 L HA 0.288 4.628 4.340 0.000 0.000 0.275 445 L C 0.388 177.261 176.870 0.005 0.000 1.141 445 L CA -0.127 54.710 54.840 -0.005 0.000 0.987 445 L CB -0.367 41.687 42.059 -0.009 0.000 1.319 445 L HN 0.395 nan 8.230 nan 0.000 0.478 446 A N 3.893 126.719 122.820 0.009 0.000 2.374 446 A HA 0.636 4.956 4.320 0.000 0.000 0.305 446 A C -0.628 176.977 177.584 0.034 0.000 1.053 446 A CA -0.542 51.511 52.037 0.027 0.000 0.726 446 A CB 1.601 20.618 19.000 0.029 0.000 1.229 446 A HN 0.254 nan 8.150 nan 0.000 0.431 447 V N 3.456 123.406 119.914 0.059 0.000 2.387 447 V HA 0.330 4.450 4.120 0.000 0.000 0.260 447 V C 1.155 177.344 176.094 0.157 0.000 1.054 447 V CA 0.325 62.667 62.300 0.070 0.000 0.967 447 V CB 0.266 32.121 31.823 0.055 0.000 1.036 447 V HN 1.050 nan 8.190 nan 0.000 0.481 448 T N 2.346 116.973 114.554 0.123 0.000 2.816 448 T HA 0.280 4.630 4.350 0.000 0.000 0.282 448 T C 1.033 175.895 174.700 0.270 0.000 0.993 448 T CA -0.405 61.784 62.100 0.149 0.000 0.994 448 T CB 0.924 69.842 68.868 0.084 0.000 1.025 448 T HN 0.401 nan 8.240 nan 0.000 0.529 449 M N 0.650 120.378 119.600 0.213 0.000 2.159 449 M HA -0.009 4.471 4.480 0.000 0.000 0.263 449 M C 1.746 178.189 176.300 0.237 0.000 1.063 449 M CA 1.855 57.292 55.300 0.229 0.000 1.110 449 M CB -1.284 31.372 32.600 0.094 0.000 1.374 449 M HN 0.899 nan 8.290 nan 0.000 0.411 450 D N -0.108 120.387 120.400 0.158 0.000 2.182 450 D HA -0.206 4.434 4.640 0.000 0.000 0.201 450 D C 1.382 177.780 176.300 0.165 0.000 0.986 450 D CA 1.661 55.743 54.000 0.137 0.000 0.847 450 D CB -0.125 40.726 40.800 0.086 0.000 0.942 450 D HN 0.459 nan 8.370 nan 0.000 0.467 451 D N -0.660 119.825 120.400 0.140 0.000 2.097 451 D HA -0.175 4.466 4.640 0.000 0.000 0.195 451 D C 2.000 178.363 176.300 0.106 0.000 0.989 451 D CA 0.797 54.848 54.000 0.084 0.000 0.827 451 D CB -0.514 40.265 40.800 -0.036 0.000 0.966 451 D HN 0.338 nan 8.370 nan 0.000 0.456 452 F N 1.254 121.270 119.950 0.110 0.000 2.134 452 F HA -0.084 4.443 4.527 0.000 0.000 0.299 452 F C 2.673 178.520 175.800 0.078 0.000 1.097 452 F CA 0.995 59.045 58.000 0.084 0.000 1.264 452 F CB -0.149 38.876 39.000 0.042 0.000 1.001 452 F HN -0.187 nan 8.300 nan 0.000 0.479 453 R N -1.345 119.315 120.500 0.267 0.000 2.120 453 R HA -0.229 4.111 4.340 0.000 0.000 0.234 453 R C 2.036 178.425 176.300 0.148 0.000 1.123 453 R CA 1.589 57.790 56.100 0.169 0.000 0.975 453 R CB -0.675 29.707 30.300 0.137 0.000 0.866 453 R HN 0.413 nan 8.270 nan 0.000 0.446 454 W N 0.946 122.266 121.300 0.033 0.000 2.379 454 W HA -0.137 4.523 4.660 0.001 0.000 0.307 454 W C 2.205 178.725 176.519 0.001 0.000 1.200 454 W CA 1.786 59.135 57.345 0.008 0.000 1.297 454 W CB -0.380 29.073 29.460 -0.012 0.000 1.140 454 W HN 0.067 nan 8.180 nan 0.000 0.507 455 A N 0.149 123.017 122.820 0.080 0.000 1.940 455 A HA -0.203 4.118 4.320 0.000 0.000 0.219 455 A C 2.047 179.552 177.584 -0.131 0.000 1.176 455 A CA 1.892 53.882 52.037 -0.078 0.000 0.631 455 A CB -1.086 17.907 19.000 -0.013 0.000 0.814 455 A HN 0.398 nan 8.150 nan 0.000 0.446 456 L N 0.299 121.499 121.223 -0.038 0.000 2.093 456 L HA -0.178 4.162 4.340 0.000 0.000 0.208 456 L C 3.034 179.854 176.870 -0.084 0.000 1.085 456 L CA 1.606 56.432 54.840 -0.023 0.000 0.755 456 L CB -0.335 41.737 42.059 0.023 0.000 0.904 456 L HN 0.618 nan 8.230 nan 0.000 0.435 457 S N -1.249 114.353 115.700 -0.165 0.000 2.402 457 S HA -0.174 4.296 4.470 0.000 0.000 0.229 457 S C 1.813 176.257 174.600 -0.260 0.000 1.021 457 S CA 0.701 58.785 58.200 -0.193 0.000 0.974 457 S CB -0.173 62.898 63.200 -0.215 0.000 0.800 457 S HN 0.420 nan 8.310 nan 0.000 0.484 458 Q N 0.969 120.525 119.800 -0.407 0.000 2.408 458 Q HA 0.347 4.687 4.340 0.000 0.000 0.205 458 Q C 0.823 176.697 176.000 -0.210 0.000 0.919 458 Q CA 0.050 55.615 55.803 -0.398 0.000 0.932 458 Q CB -0.061 28.257 28.738 -0.700 0.000 1.058 458 Q HN 0.538 nan 8.270 nan 0.000 0.517 459 S N 1.038 116.664 115.700 -0.123 0.000 2.576 459 S HA 0.145 4.616 4.470 0.000 0.000 0.272 459 S C -0.022 174.562 174.600 -0.027 0.000 1.352 459 S CA -0.091 58.103 58.200 -0.009 0.000 1.021 459 S CB 0.393 63.697 63.200 0.174 0.000 0.887 459 S HN 0.240 nan 8.310 nan 0.000 0.542 460 N N 1.543 120.198 118.700 -0.074 0.000 2.242 460 N HA 0.467 5.208 4.740 0.000 0.000 0.292 460 N C -2.838 172.496 175.510 -0.292 0.000 1.125 460 N CA -1.332 51.636 53.050 -0.135 0.000 0.783 460 N CB 2.189 40.617 38.487 -0.099 0.000 1.558 460 N HN 0.421 nan 8.380 nan 0.000 0.472 461 P HA 0.131 nan 4.420 nan 0.000 0.279 461 P C -0.535 176.679 177.300 -0.143 0.000 1.276 461 P CA -0.355 62.590 63.100 -0.258 0.000 0.801 461 P CB 0.410 32.011 31.700 -0.166 0.000 1.127 462 S N -0.968 114.667 115.700 -0.108 0.000 3.900 462 S HA 0.439 4.910 4.470 0.000 0.000 0.248 462 S C 0.693 175.265 174.600 -0.048 0.000 1.310 462 S CA -0.741 57.421 58.200 -0.064 0.000 0.915 462 S CB -1.339 61.833 63.200 -0.046 0.000 1.588 462 S HN 0.652 nan 8.310 nan 0.000 0.472 463 A N 0.000 122.791 122.820 -0.048 0.000 2.254 463 A HA 0.000 4.320 4.320 0.000 0.000 0.244 463 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 463 A CB 0.000 18.980 19.000 -0.034 0.000 0.831 463 A HN 0.000 nan 8.150 nan 0.000 0.486