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 1e3q_1_A DATA FIRST_RESID 3 DATA SEQUENCE HSELLVNTKS GKVMGTRVPV LSSHISAFLG IPFAEPPVGN MRFRRPEPKK DATA SEQUENCE PWSGVWNAST YPNNcQQYVD EQFPGFSGSE MWNPNREMSE DcLYLNIWVP DATA SEQUENCE SPRPKSTTVM VWIYGGGFYS GSSTLDVYNG KYLAYTEEVV LVSLSYRVGA DATA SEQUENCE FGFLALHGSQ EAPGNVGLLD QRMALQWVHD NIQFFGGDPK TVTIFGESAG DATA SEQUENCE GASVGMHILS PGSRDLFRRA ILQSGSPNCP WASVSVAEGR RRAVELGRNL DATA SEQUENCE NcNLNSDEEL IHcLREKKPQ ELIDVEWNVL PFDSIFRFSF VPVIDGEFFP DATA SEQUENCE TSLESMLNSG NFKKTQILLG VNKDEGSFFL LYGAPGFSKD SESKISREDF DATA SEQUENCE MSGVKLSVPH ANDLGLDAVT LQYTDWMDDN NGIKNRDGLD DIVGDHNVIc DATA SEQUENCE PLMHFVNKYT KFGNGTYLYF FNHRASNLVW PEWMGVIHGY EIEFVFGLPL DATA SEQUENCE VKELNYTAEE EALSRRIMHY WATFAKTGNP NEPHSQESKW PLFTTKEQKF DATA SEQUENCE IDLNTEPMKV HQRLRVQMcV FWNQFLPKLL NAT 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.357 175.328 0.049 0.000 0.993 3 H CA 0.000 56.066 56.048 0.031 0.000 1.023 3 H CB 0.000 29.780 29.762 0.030 0.000 1.292 4 S N 0.045 116.025 115.700 0.466 0.000 2.406 4 S HA -0.052 4.417 4.470 -0.001 0.000 0.224 4 S C 1.605 176.368 174.600 0.271 0.000 1.030 4 S CA 0.579 58.952 58.200 0.289 0.000 0.958 4 S CB 0.119 63.460 63.200 0.235 0.000 0.811 4 S HN 0.439 nan 8.310 nan 0.000 0.489 5 E N 0.805 121.169 120.200 0.273 0.000 2.130 5 E HA -0.149 4.201 4.350 -0.001 0.000 0.196 5 E C 1.155 177.880 176.600 0.207 0.000 0.998 5 E CA 0.985 57.450 56.400 0.110 0.000 0.806 5 E CB -0.164 29.456 29.700 -0.133 0.000 0.738 5 E HN 0.288 nan 8.360 nan 0.000 0.459 6 L N 0.477 121.810 121.223 0.185 0.000 2.612 6 L HA 0.083 4.422 4.340 -0.001 0.000 0.230 6 L C 0.381 177.419 176.870 0.279 0.000 1.140 6 L CA 0.324 55.261 54.840 0.162 0.000 0.896 6 L CB 0.243 42.324 42.059 0.037 0.000 1.065 6 L HN 0.016 nan 8.230 nan 0.000 0.447 7 L N 0.375 121.762 121.223 0.273 0.000 2.349 7 L HA 0.566 4.906 4.340 -0.001 0.000 0.278 7 L C -1.069 175.898 176.870 0.161 0.000 0.996 7 L CA -0.322 54.658 54.840 0.234 0.000 0.825 7 L CB 1.815 43.964 42.059 0.149 0.000 1.243 7 L HN -0.315 nan 8.230 nan 0.000 0.412 8 V N 4.688 124.667 119.914 0.108 0.000 2.876 8 V HA 0.497 4.617 4.120 -0.001 0.000 0.312 8 V C -0.258 175.742 176.094 -0.157 0.000 1.085 8 V CA -0.935 61.270 62.300 -0.159 0.000 0.945 8 V CB 2.488 33.943 31.823 -0.613 0.000 1.017 8 V HN 0.691 nan 8.190 nan 0.000 0.428 9 N N 2.625 121.161 118.700 -0.273 0.000 2.546 9 N HA 0.388 5.127 4.740 -0.001 0.000 0.238 9 N C -0.266 174.857 175.510 -0.646 0.000 0.984 9 N CA -0.077 52.780 53.050 -0.321 0.000 0.935 9 N CB 1.714 40.032 38.487 -0.282 0.000 1.122 9 N HN 0.935 nan 8.380 nan 0.000 0.510 10 T N -0.831 113.461 114.554 -0.436 0.000 2.943 10 T HA 0.334 4.683 4.350 -0.001 0.000 0.284 10 T C 1.261 175.656 174.700 -0.509 0.000 1.015 10 T CA -0.600 61.169 62.100 -0.551 0.000 1.042 10 T CB 1.644 70.497 68.868 -0.026 0.000 1.055 10 T HN 0.278 nan 8.240 nan 0.000 0.500 11 K N 0.871 120.963 120.400 -0.513 0.000 2.362 11 K HA -0.091 4.228 4.320 -0.001 0.000 0.202 11 K C 2.198 178.615 176.600 -0.304 0.000 1.045 11 K CA 1.135 57.217 56.287 -0.341 0.000 0.936 11 K CB -0.199 32.170 32.500 -0.218 0.000 0.747 11 K HN 0.467 nan 8.250 nan 0.000 0.467 12 S N -0.529 114.989 115.700 -0.303 0.000 2.421 12 S HA 0.104 4.574 4.470 -0.001 0.000 0.224 12 S C 0.715 174.637 174.600 -1.130 0.000 1.035 12 S CA 0.683 58.597 58.200 -0.476 0.000 0.953 12 S CB 0.517 63.656 63.200 -0.102 0.000 0.810 12 S HN 0.581 nan 8.310 nan 0.000 0.497 13 G N 0.220 108.481 108.800 -0.898 0.000 2.317 13 G HA2 0.319 4.278 3.960 -0.001 0.000 0.293 13 G HA3 0.319 4.278 3.960 -0.001 0.000 0.293 13 G C -1.945 172.928 174.900 -0.045 0.000 1.287 13 G CA -0.962 43.613 45.100 -0.875 0.000 0.850 13 G HN 0.078 nan 8.290 nan 0.000 0.515 14 K N -0.584 119.988 120.400 0.286 0.000 2.143 14 K HA 0.663 4.982 4.320 -0.001 0.000 0.272 14 K C -0.796 176.131 176.600 0.545 0.000 1.001 14 K CA -0.508 55.972 56.287 0.321 0.000 0.915 14 K CB 1.996 34.626 32.500 0.216 0.000 1.047 14 K HN 0.263 nan 8.250 nan 0.000 0.458 15 V N 3.979 124.134 119.914 0.403 0.000 2.577 15 V HA 0.293 4.413 4.120 -0.001 0.000 0.303 15 V C -0.896 175.469 176.094 0.452 0.000 1.042 15 V CA -0.844 61.738 62.300 0.469 0.000 0.872 15 V CB 1.677 33.807 31.823 0.512 0.000 0.998 15 V HN 0.745 nan 8.190 nan 0.000 0.423 16 M N 4.881 124.711 119.600 0.382 0.000 2.088 16 M HA 0.717 5.197 4.480 -0.001 0.000 0.346 16 M C 0.412 176.813 176.300 0.167 0.000 1.111 16 M CA 0.226 55.684 55.300 0.264 0.000 1.017 16 M CB 0.909 33.596 32.600 0.145 0.000 1.568 16 M HN 0.718 nan 8.290 nan 0.000 0.445 17 G N 2.482 111.258 108.800 -0.041 0.000 2.630 17 G HA2 0.719 4.678 3.960 -0.001 0.000 0.223 17 G HA3 0.719 4.678 3.960 -0.001 0.000 0.223 17 G C -1.020 173.657 174.900 -0.372 0.000 1.434 17 G CA -0.454 44.315 45.100 -0.552 0.000 1.057 17 G HN 0.616 nan 8.290 nan 0.000 0.570 18 T N -0.921 113.357 114.554 -0.460 0.000 2.932 18 T HA 0.469 4.818 4.350 -0.001 0.000 0.318 18 T C -0.776 173.762 174.700 -0.270 0.000 1.265 18 T CA -0.602 61.332 62.100 -0.277 0.000 1.036 18 T CB 2.311 71.049 68.868 -0.217 0.000 1.209 18 T HN 0.558 nan 8.240 nan 0.000 0.484 19 R N 1.741 122.118 120.500 -0.205 0.000 2.368 19 R HA 0.750 5.090 4.340 -0.001 0.000 0.302 19 R C -0.675 175.488 176.300 -0.229 0.000 1.002 19 R CA -0.561 55.417 56.100 -0.205 0.000 0.929 19 R CB 0.656 30.829 30.300 -0.211 0.000 1.073 19 R HN 0.532 nan 8.270 nan 0.000 0.464 20 V N 1.830 121.634 119.914 -0.182 0.000 2.735 20 V HA 0.691 4.810 4.120 -0.001 0.000 0.310 20 V C -2.600 173.426 176.094 -0.113 0.000 1.061 20 V CA -2.606 59.609 62.300 -0.142 0.000 0.913 20 V CB 1.803 33.610 31.823 -0.027 0.000 1.005 20 V HN 0.781 nan 8.190 nan 0.000 0.428 21 P HA 0.326 nan 4.420 nan 0.000 0.275 21 P C -0.871 176.410 177.300 -0.033 0.000 1.228 21 P CA -0.038 63.172 63.100 0.183 0.000 0.786 21 P CB 1.952 33.764 31.700 0.186 0.000 0.927 22 V N 5.700 125.534 119.914 -0.133 0.000 2.577 22 V HA 0.243 4.362 4.120 -0.001 0.000 0.294 22 V C 0.110 175.978 176.094 -0.375 0.000 1.052 22 V CA -0.574 61.521 62.300 -0.341 0.000 0.891 22 V CB 0.565 32.084 31.823 -0.506 0.000 1.017 22 V HN 0.412 nan 8.190 nan 0.000 0.436 23 L N 4.683 125.819 121.223 -0.146 0.000 6.412 23 L HA -0.276 4.064 4.340 -0.001 0.000 0.053 23 L C 2.242 179.036 176.870 -0.127 0.000 2.199 23 L CA 2.492 57.282 54.840 -0.084 0.000 1.611 23 L CB -2.161 39.856 42.059 -0.069 0.000 2.801 23 L HN 1.012 nan 8.230 nan 0.000 1.044 24 S N -2.167 113.465 115.700 -0.114 0.000 2.436 24 S HA 0.092 4.561 4.470 -0.001 0.000 0.228 24 S C 1.187 175.691 174.600 -0.160 0.000 1.014 24 S CA 1.095 59.240 58.200 -0.091 0.000 0.950 24 S CB 0.198 63.395 63.200 -0.006 0.000 0.784 24 S HN 0.608 nan 8.310 nan 0.000 0.504 25 S N 0.044 115.605 115.700 -0.231 0.000 2.448 25 S HA 0.491 4.960 4.470 -0.001 0.000 0.271 25 S C -0.859 173.622 174.600 -0.198 0.000 1.145 25 S CA -0.668 57.422 58.200 -0.183 0.000 1.022 25 S CB 0.462 63.707 63.200 0.076 0.000 1.202 25 S HN 0.622 nan 8.310 nan 0.000 0.479 26 H N -0.318 118.702 119.070 -0.084 0.000 3.017 26 H HA 0.481 5.036 4.556 -0.001 0.000 0.340 26 H C -0.944 174.385 175.328 0.001 0.000 1.014 26 H CA -0.701 55.309 56.048 -0.064 0.000 1.341 26 H CB 1.221 30.965 29.762 -0.030 0.000 1.739 26 H HN 0.509 nan 8.280 nan 0.000 0.506 27 I N 0.223 120.859 120.570 0.109 0.000 3.023 27 I HA 0.652 4.822 4.170 -0.001 0.000 0.312 27 I C -0.234 175.923 176.117 0.067 0.000 1.056 27 I CA -0.742 60.638 61.300 0.133 0.000 1.033 27 I CB 2.106 40.227 38.000 0.202 0.000 1.233 27 I HN 0.413 nan 8.210 nan 0.000 0.462 28 S N 1.830 117.581 115.700 0.085 0.000 2.565 28 S HA 0.933 5.402 4.470 -0.001 0.000 0.290 28 S C -0.366 174.209 174.600 -0.042 0.000 1.150 28 S CA -0.430 57.753 58.200 -0.028 0.000 1.058 28 S CB 1.457 64.642 63.200 -0.024 0.000 1.032 28 S HN 1.235 nan 8.310 nan 0.000 0.510 29 A N 1.601 124.246 122.820 -0.292 0.000 2.422 29 A HA 0.738 5.057 4.320 -0.001 0.000 0.302 29 A C -1.420 175.796 177.584 -0.613 0.000 1.041 29 A CA -0.752 51.053 52.037 -0.386 0.000 0.708 29 A CB 0.667 19.442 19.000 -0.374 0.000 1.257 29 A HN 0.683 nan 8.150 nan 0.000 0.414 30 F N 2.667 122.454 119.950 -0.272 0.000 2.332 30 F HA 0.526 5.053 4.527 -0.001 0.000 0.368 30 F C -0.400 175.219 175.800 -0.303 0.000 1.110 30 F CA -0.753 57.151 58.000 -0.159 0.000 1.087 30 F CB 1.483 40.495 39.000 0.020 0.000 1.235 30 F HN 0.227 nan 8.300 nan 0.000 0.470 31 L N 2.457 123.567 121.223 -0.188 0.000 2.295 31 L HA 0.624 4.964 4.340 -0.001 0.000 0.285 31 L C 0.761 177.580 176.870 -0.084 0.000 1.035 31 L CA -0.971 53.714 54.840 -0.259 0.000 0.806 31 L CB 0.939 42.709 42.059 -0.482 0.000 1.214 31 L HN 0.797 nan 8.230 nan 0.000 0.426 32 G N 3.834 112.611 108.800 -0.039 0.000 2.298 32 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.287 32 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.287 32 G C 0.084 175.069 174.900 0.142 0.000 1.075 32 G CA -0.179 44.948 45.100 0.045 0.000 0.960 32 G HN 0.479 nan 8.290 nan 0.000 0.502 33 I N 1.873 122.418 120.570 -0.041 0.000 2.441 33 I HA 0.257 4.426 4.170 -0.001 0.000 0.287 33 I C -1.368 174.495 176.117 -0.424 0.000 1.049 33 I CA -2.194 58.887 61.300 -0.365 0.000 1.381 33 I CB 1.232 38.991 38.000 -0.402 0.000 1.409 33 I HN 0.028 nan 8.210 nan 0.000 0.523 34 P HA 0.083 nan 4.420 nan 0.000 0.280 34 P C -0.337 176.557 177.300 -0.676 0.000 1.244 34 P CA -0.121 62.452 63.100 -0.880 0.000 0.784 34 P CB 0.755 31.928 31.700 -0.878 0.000 0.913 35 F N 0.675 120.314 119.950 -0.519 0.000 2.706 35 F HA 0.743 5.269 4.527 -0.001 0.000 0.313 35 F C 0.063 175.776 175.800 -0.146 0.000 1.096 35 F CA -1.270 56.500 58.000 -0.384 0.000 1.219 35 F CB -0.138 38.651 39.000 -0.353 0.000 1.051 35 F HN 0.367 nan 8.300 nan 0.000 0.568 36 A N -0.176 122.513 122.820 -0.219 0.000 2.606 36 A HA 0.595 4.915 4.320 -0.001 0.000 0.293 36 A C -1.010 176.474 177.584 -0.167 0.000 1.082 36 A CA -0.778 51.226 52.037 -0.055 0.000 0.685 36 A CB 0.959 20.005 19.000 0.078 0.000 1.284 36 A HN 0.015 nan 8.150 nan 0.000 0.408 37 E N 2.535 122.703 120.200 -0.053 0.000 2.324 37 E HA 0.250 4.600 4.350 -0.001 0.000 0.271 37 E C -2.188 174.368 176.600 -0.074 0.000 1.028 37 E CA -1.527 54.846 56.400 -0.044 0.000 0.890 37 E CB 0.362 30.068 29.700 0.009 0.000 1.004 37 E HN 0.395 nan 8.360 nan 0.000 0.431 38 P HA -0.041 nan 4.420 nan 0.000 0.258 38 P C -2.243 175.033 177.300 -0.038 0.000 1.172 38 P CA -0.789 62.266 63.100 -0.074 0.000 0.762 38 P CB -0.141 31.545 31.700 -0.025 0.000 0.764 39 P HA 0.004 nan 4.420 nan 0.000 0.237 39 P C 0.350 177.628 177.300 -0.036 0.000 1.723 39 P CA 0.026 63.112 63.100 -0.023 0.000 0.882 39 P CB -0.213 31.482 31.700 -0.009 0.000 1.810 40 V N -3.519 116.376 119.914 -0.030 0.000 3.406 40 V HA 0.877 4.997 4.120 -0.001 0.000 0.305 40 V C 1.140 177.220 176.094 -0.025 0.000 1.136 40 V CA 0.094 62.373 62.300 -0.034 0.000 1.011 40 V CB 0.289 32.098 31.823 -0.023 0.000 1.221 40 V HN 0.478 nan 8.190 nan 0.000 0.454 41 G N 1.864 110.652 108.800 -0.020 0.000 2.561 41 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.289 41 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.289 41 G C 0.163 175.057 174.900 -0.010 0.000 1.169 41 G CA 0.907 46.003 45.100 -0.007 0.000 0.980 41 G HN 1.900 nan 8.290 nan 0.000 0.550 42 N N 0.173 118.878 118.700 0.010 0.000 2.251 42 N HA 0.364 5.104 4.740 -0.001 0.000 0.217 42 N C 1.580 177.108 175.510 0.031 0.000 1.124 42 N CA 0.479 53.547 53.050 0.030 0.000 0.843 42 N CB 0.448 38.969 38.487 0.057 0.000 1.024 42 N HN 0.407 nan 8.380 nan 0.000 0.501 43 M N -0.140 119.464 119.600 0.006 0.000 2.506 43 M HA 0.068 4.547 4.480 -0.001 0.000 0.260 43 M C 0.776 177.071 176.300 -0.008 0.000 1.104 43 M CA 0.158 55.467 55.300 0.015 0.000 1.112 43 M CB -0.401 32.203 32.600 0.006 0.000 1.401 43 M HN 0.280 nan 8.290 nan 0.000 0.473 44 R N 0.680 121.129 120.500 -0.086 0.000 2.485 44 R HA -0.151 4.189 4.340 -0.001 0.000 0.304 44 R C -0.368 175.790 176.300 -0.237 0.000 0.934 44 R CA 0.714 56.645 56.100 -0.282 0.000 1.102 44 R CB 0.000 29.992 30.300 -0.514 0.000 0.906 44 R HN 0.224 nan 8.270 nan 0.000 0.407 45 F N -0.420 119.556 119.950 0.044 0.000 2.409 45 F HA -0.272 4.254 4.527 -0.001 0.000 0.528 45 F C 0.662 176.459 175.800 -0.005 0.000 0.522 45 F CA 0.876 58.873 58.000 -0.005 0.000 1.406 45 F CB -1.374 37.608 39.000 -0.030 0.000 2.113 45 F HN 0.616 nan 8.300 nan 0.000 0.260 46 R N 1.254 121.852 120.500 0.164 0.000 2.577 46 R HA 0.520 4.860 4.340 -0.001 0.000 0.269 46 R C 0.648 176.993 176.300 0.074 0.000 1.084 46 R CA -0.815 55.348 56.100 0.105 0.000 1.163 46 R CB 0.623 30.974 30.300 0.085 0.000 1.100 46 R HN 0.079 nan 8.270 nan 0.000 0.547 47 R N 1.417 121.955 120.500 0.063 0.000 2.758 47 R HA 0.003 4.343 4.340 -0.001 0.000 0.263 47 R C -2.035 174.303 176.300 0.063 0.000 1.010 47 R CA -0.854 55.281 56.100 0.059 0.000 1.114 47 R CB -0.319 30.015 30.300 0.056 0.000 0.985 47 R HN 0.370 nan 8.270 nan 0.000 0.439 48 P HA 0.033 nan 4.420 nan 0.000 0.272 48 P C -1.034 176.314 177.300 0.079 0.000 1.223 48 P CA -0.041 63.113 63.100 0.089 0.000 0.784 48 P CB 0.633 32.417 31.700 0.140 0.000 0.923 49 E N 2.159 122.402 120.200 0.071 0.000 2.187 49 E HA 0.351 4.701 4.350 -0.001 0.000 0.268 49 E C -2.435 174.213 176.600 0.079 0.000 0.896 49 E CA -2.817 53.621 56.400 0.064 0.000 0.766 49 E CB 1.009 30.738 29.700 0.047 0.000 1.142 49 E HN 0.267 nan 8.360 nan 0.000 0.408 50 P HA -0.084 nan 4.420 nan 0.000 0.266 50 P C -0.889 176.472 177.300 0.101 0.000 1.193 50 P CA 0.006 63.175 63.100 0.115 0.000 0.770 50 P CB 0.422 32.181 31.700 0.098 0.000 0.836 51 K N 3.766 124.243 120.400 0.129 0.000 2.262 51 K HA 0.085 4.405 4.320 -0.001 0.000 0.288 51 K C -0.196 176.484 176.600 0.134 0.000 1.090 51 K CA -0.100 56.256 56.287 0.115 0.000 0.918 51 K CB -0.276 32.293 32.500 0.115 0.000 1.139 51 K HN 0.329 nan 8.250 nan 0.000 0.462 52 K N 4.889 125.353 120.400 0.107 0.000 2.440 52 K HA -0.044 4.275 4.320 -0.001 0.000 0.275 52 K C -2.196 174.465 176.600 0.100 0.000 1.082 52 K CA -0.960 55.378 56.287 0.086 0.000 1.135 52 K CB -0.173 32.378 32.500 0.084 0.000 0.864 52 K HN 0.334 nan 8.250 nan 0.000 0.479 53 P HA -0.147 nan 4.420 nan 0.000 0.264 53 P C -0.911 176.353 177.300 -0.061 0.000 1.173 53 P CA 0.284 63.257 63.100 -0.211 0.000 0.761 53 P CB 0.245 31.790 31.700 -0.258 0.000 0.794 54 W N 1.862 123.214 121.300 0.088 0.000 2.481 54 W HA 0.697 5.357 4.660 -0.001 0.000 0.369 54 W C -0.653 175.932 176.519 0.111 0.000 1.235 54 W CA -0.775 56.648 57.345 0.130 0.000 1.344 54 W CB -0.102 29.500 29.460 0.237 0.000 1.360 54 W HN 0.354 nan 8.180 nan 0.000 0.658 55 S N 0.470 116.384 115.700 0.357 0.000 2.607 55 S HA 0.875 5.345 4.470 -0.001 0.000 0.303 55 S C 0.162 174.970 174.600 0.347 0.000 1.086 55 S CA -0.303 58.031 58.200 0.222 0.000 0.995 55 S CB 1.047 64.327 63.200 0.134 0.000 1.084 55 S HN 2.040 nan 8.310 nan 0.000 0.507 56 G N -0.111 108.832 108.800 0.239 0.000 2.782 56 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.228 56 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.228 56 G C -0.737 174.368 174.900 0.342 0.000 1.372 56 G CA -0.437 44.798 45.100 0.224 0.000 0.862 56 G HN 1.428 nan 8.290 nan 0.000 0.547 57 V N 1.172 121.237 119.914 0.252 0.000 2.644 57 V HA 0.596 4.715 4.120 -0.001 0.000 0.295 57 V C 0.418 176.659 176.094 0.245 0.000 1.053 57 V CA -0.417 62.057 62.300 0.290 0.000 0.987 57 V CB 1.839 33.772 31.823 0.184 0.000 1.006 57 V HN 0.718 nan 8.190 nan 0.000 0.472 58 W N 4.201 125.533 121.300 0.054 0.000 2.433 58 W HA 0.327 4.987 4.660 -0.001 0.000 0.315 58 W C 0.099 176.578 176.519 -0.067 0.000 1.087 58 W CA -0.772 56.474 57.345 -0.166 0.000 1.205 58 W CB 1.282 30.441 29.460 -0.502 0.000 1.288 58 W HN 0.545 nan 8.180 nan 0.000 0.504 59 N N 4.567 123.064 118.700 -0.338 0.000 2.895 59 N HA 0.121 4.860 4.740 -0.001 0.000 0.277 59 N C 0.077 175.571 175.510 -0.028 0.000 1.185 59 N CA 0.176 53.128 53.050 -0.164 0.000 1.106 59 N CB 0.338 38.668 38.487 -0.263 0.000 1.422 59 N HN 0.397 nan 8.380 nan 0.000 0.521 60 A N 1.728 124.667 122.820 0.198 0.000 2.916 60 A HA 0.092 4.411 4.320 -0.001 0.000 0.254 60 A C 1.416 178.982 177.584 -0.030 0.000 1.544 60 A CA -0.191 51.957 52.037 0.185 0.000 1.224 60 A CB -0.499 18.690 19.000 0.315 0.000 1.012 60 A HN 0.555 nan 8.150 nan 0.000 0.636 61 S N -1.015 114.634 115.700 -0.086 0.000 2.497 61 S HA 0.066 4.536 4.470 -0.001 0.000 0.218 61 S C 0.947 175.447 174.600 -0.166 0.000 1.023 61 S CA 0.658 58.770 58.200 -0.146 0.000 0.913 61 S CB -0.323 62.806 63.200 -0.119 0.000 0.800 61 S HN 0.624 nan 8.310 nan 0.000 0.505 62 T N -0.610 113.858 114.554 -0.144 0.000 2.950 62 T HA 0.648 4.998 4.350 -0.001 0.000 0.288 62 T C -0.736 173.883 174.700 -0.134 0.000 1.035 62 T CA -0.745 61.282 62.100 -0.122 0.000 1.028 62 T CB 0.651 69.473 68.868 -0.078 0.000 1.109 62 T HN 0.132 nan 8.240 nan 0.000 0.514 63 Y N 2.312 122.581 120.300 -0.052 0.000 2.379 63 Y HA 0.376 4.926 4.550 -0.001 0.000 0.337 63 Y C -1.453 174.382 175.900 -0.109 0.000 1.238 63 Y CA -1.382 56.690 58.100 -0.046 0.000 1.405 63 Y CB 0.474 38.929 38.460 -0.009 0.000 1.310 63 Y HN 0.530 nan 8.280 nan 0.000 0.569 64 P HA 0.134 nan 4.420 nan 0.000 0.279 64 P C -0.870 176.385 177.300 -0.074 0.000 1.276 64 P CA -0.529 62.477 63.100 -0.157 0.000 0.801 64 P CB 0.901 32.461 31.700 -0.233 0.000 1.127 65 N N 0.307 118.926 118.700 -0.135 0.000 2.399 65 N HA 0.141 4.881 4.740 -0.001 0.000 0.250 65 N C 0.030 175.535 175.510 -0.007 0.000 1.272 65 N CA 0.107 53.122 53.050 -0.059 0.000 0.928 65 N CB -0.029 38.428 38.487 -0.051 0.000 1.158 65 N HN 0.421 nan 8.380 nan 0.000 0.463 66 N N -0.675 118.013 118.700 -0.019 0.000 2.417 66 N HA 0.313 5.053 4.740 -0.001 0.000 0.300 66 N C -0.552 174.943 175.510 -0.024 0.000 1.102 66 N CA -0.689 52.352 53.050 -0.015 0.000 0.886 66 N CB 1.339 39.796 38.487 -0.050 0.000 1.203 66 N HN 0.376 nan 8.380 nan 0.000 0.496 67 c N 1.510 120.102 118.600 -0.014 0.000 2.689 67 c HA 0.039 4.609 4.570 -0.001 0.000 0.409 67 c C 0.797 174.838 174.090 -0.080 0.000 1.293 67 c CA -0.621 55.681 56.329 -0.046 0.000 2.136 67 c CB -0.120 42.393 42.510 0.006 0.000 2.719 67 c HN 0.543 nan 8.230 nan 0.000 0.644 68 Q N 2.378 122.053 119.800 -0.209 0.000 2.333 68 Q HA 0.233 4.572 4.340 -0.001 0.000 0.299 68 Q C -0.022 175.992 176.000 0.023 0.000 1.067 68 Q CA 1.005 56.681 55.803 -0.213 0.000 0.943 68 Q CB 0.310 28.645 28.738 -0.672 0.000 1.233 68 Q HN 0.929 nan 8.270 nan 0.000 0.401 69 Q N 0.402 120.284 119.800 0.137 0.000 2.900 69 Q HA 0.223 4.563 4.340 -0.001 0.000 0.297 69 Q C -1.495 174.694 176.000 0.313 0.000 0.889 69 Q CA -0.937 55.035 55.803 0.282 0.000 0.777 69 Q CB 0.331 29.211 28.738 0.238 0.000 1.518 69 Q HN 0.460 nan 8.270 nan 0.000 0.430 70 Y N 1.194 121.694 120.300 0.333 0.000 2.442 70 Y HA 0.409 4.958 4.550 -0.001 0.000 0.330 70 Y C -0.916 175.175 175.900 0.318 0.000 1.129 70 Y CA 0.194 58.497 58.100 0.338 0.000 1.365 70 Y CB 0.965 39.668 38.460 0.404 0.000 1.233 70 Y HN 0.440 nan 8.280 nan 0.000 0.529 71 V N 6.820 126.480 119.914 -0.422 0.000 2.370 71 V HA 0.100 4.220 4.120 -0.001 0.000 0.283 71 V C -0.471 175.364 176.094 -0.431 0.000 1.023 71 V CA -0.992 61.155 62.300 -0.255 0.000 0.857 71 V CB 1.354 33.100 31.823 -0.129 0.000 0.985 71 V HN 0.743 nan 8.190 nan 0.000 0.443 72 D N 3.877 124.259 120.400 -0.032 0.000 2.346 72 D HA 0.067 4.707 4.640 -0.001 0.000 0.260 72 D C 0.631 177.011 176.300 0.134 0.000 1.252 72 D CA 0.428 54.534 54.000 0.178 0.000 0.895 72 D CB 0.807 41.864 40.800 0.428 0.000 1.097 72 D HN 0.664 nan 8.370 nan 0.000 0.489 73 E N 2.264 122.504 120.200 0.068 0.000 2.548 73 E HA 0.002 4.352 4.350 -0.001 0.000 0.206 73 E C 1.188 177.791 176.600 0.006 0.000 1.005 73 E CA -0.223 56.201 56.400 0.041 0.000 0.951 73 E CB 0.504 30.195 29.700 -0.014 0.000 1.035 73 E HN 0.475 nan 8.360 nan 0.000 0.470 74 Q N -0.519 119.279 119.800 -0.002 0.000 2.112 74 Q HA -0.121 4.219 4.340 -0.001 0.000 0.206 74 Q C 0.006 175.618 176.000 -0.646 0.000 0.987 74 Q CA 1.278 56.860 55.803 -0.368 0.000 0.858 74 Q CB 0.140 28.581 28.738 -0.496 0.000 0.905 74 Q HN 0.232 nan 8.270 nan 0.000 0.420 75 F N 0.025 120.052 119.950 0.127 0.000 2.622 75 F HA 0.345 4.872 4.527 -0.001 0.000 0.338 75 F C -2.157 173.723 175.800 0.134 0.000 1.334 75 F CA -2.463 55.598 58.000 0.102 0.000 1.179 75 F CB 1.123 40.220 39.000 0.160 0.000 1.471 75 F HN -0.170 nan 8.300 nan 0.000 0.576 76 P HA 0.092 nan 4.420 nan 0.000 0.261 76 P C 1.060 178.442 177.300 0.137 0.000 1.173 76 P CA 1.524 64.696 63.100 0.120 0.000 0.760 76 P CB 0.758 32.490 31.700 0.053 0.000 0.783 77 G N 2.759 111.627 108.800 0.113 0.000 2.347 77 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.247 77 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.247 77 G C 0.187 175.165 174.900 0.130 0.000 1.037 77 G CA -0.240 44.913 45.100 0.088 0.000 0.622 77 G HN 0.556 nan 8.290 nan 0.000 0.521 78 F N 3.731 123.678 119.950 -0.005 0.000 2.571 78 F HA 0.445 4.972 4.527 -0.001 0.000 0.384 78 F C 1.743 177.472 175.800 -0.119 0.000 1.058 78 F CA -0.017 57.926 58.000 -0.096 0.000 1.200 78 F CB 0.706 39.633 39.000 -0.121 0.000 1.077 78 F HN 0.220 nan 8.300 nan 0.000 0.558 79 S N 4.110 119.537 115.700 -0.455 0.000 2.353 79 S HA -0.158 4.312 4.470 -0.001 0.000 0.222 79 S C 2.402 176.553 174.600 -0.750 0.000 1.035 79 S CA 1.018 58.914 58.200 -0.506 0.000 1.025 79 S CB -1.437 61.509 63.200 -0.424 0.000 0.902 79 S HN 0.859 nan 8.310 nan 0.000 0.440 80 G N 2.033 109.913 108.800 -1.533 0.000 2.606 80 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.221 80 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.221 80 G C 1.750 176.539 174.900 -0.185 0.000 1.152 80 G CA 2.100 46.419 45.100 -1.303 0.000 0.765 80 G HN 0.770 nan 8.290 nan 0.000 0.595 81 S N -0.147 115.460 115.700 -0.155 0.000 2.404 81 S HA 0.086 4.556 4.470 -0.001 0.000 0.223 81 S C 2.037 176.861 174.600 0.373 0.000 1.040 81 S CA 1.373 59.919 58.200 0.577 0.000 0.957 81 S CB -0.124 63.570 63.200 0.823 0.000 0.826 81 S HN 0.395 nan 8.310 nan 0.000 0.491 82 E N 1.517 121.783 120.200 0.109 0.000 2.347 82 E HA 0.032 4.381 4.350 -0.001 0.000 0.196 82 E C 2.027 178.553 176.600 -0.123 0.000 1.008 82 E CA 1.000 57.420 56.400 0.034 0.000 0.852 82 E CB -0.375 29.323 29.700 -0.003 0.000 0.783 82 E HN 0.872 nan 8.360 nan 0.000 0.505 83 M N -1.847 117.561 119.600 -0.320 0.000 2.539 83 M HA -0.087 4.393 4.480 -0.001 0.000 0.261 83 M C 0.763 176.638 176.300 -0.710 0.000 1.069 83 M CA 1.334 56.276 55.300 -0.595 0.000 1.081 83 M CB -0.311 31.787 32.600 -0.836 0.000 1.412 83 M HN 0.055 nan 8.290 nan 0.000 0.482 84 W N 0.611 121.838 121.300 -0.122 0.000 3.107 84 W HA 0.317 4.977 4.660 -0.001 0.000 0.293 84 W C 0.546 176.997 176.519 -0.114 0.000 1.239 84 W CA -0.848 56.403 57.345 -0.156 0.000 1.653 84 W CB -0.154 29.241 29.460 -0.108 0.000 1.068 84 W HN 0.060 nan 8.180 nan 0.000 0.615 85 N N 3.239 122.005 118.700 0.110 0.000 2.508 85 N HA 0.065 4.805 4.740 -0.001 0.000 0.264 85 N C -2.194 173.300 175.510 -0.027 0.000 1.216 85 N CA -0.770 52.318 53.050 0.063 0.000 0.943 85 N CB 0.202 38.724 38.487 0.057 0.000 1.113 85 N HN -0.263 nan 8.380 nan 0.000 0.447 86 P HA 0.008 nan 4.420 nan 0.000 0.265 86 P C -0.250 176.998 177.300 -0.087 0.000 1.193 86 P CA -0.041 63.016 63.100 -0.073 0.000 0.765 86 P CB 0.387 32.056 31.700 -0.053 0.000 0.823 87 N N 1.927 120.553 118.700 -0.123 0.000 2.234 87 N HA 0.097 4.837 4.740 -0.001 0.000 0.227 87 N C 0.087 175.524 175.510 -0.122 0.000 1.151 87 N CA -0.242 52.730 53.050 -0.130 0.000 0.865 87 N CB 0.305 38.686 38.487 -0.176 0.000 1.066 87 N HN 0.164 nan 8.380 nan 0.000 0.515 88 R N -0.023 120.416 120.500 -0.102 0.000 2.836 88 R HA 0.311 4.651 4.340 -0.001 0.000 0.269 88 R C -0.765 175.498 176.300 -0.061 0.000 1.010 88 R CA -0.867 55.184 56.100 -0.081 0.000 0.930 88 R CB 0.584 30.835 30.300 -0.081 0.000 1.218 88 R HN 0.160 nan 8.270 nan 0.000 0.473 89 E N 1.716 121.885 120.200 -0.052 0.000 2.558 89 E HA -0.046 4.304 4.350 -0.001 0.000 0.255 89 E C -0.240 176.331 176.600 -0.047 0.000 0.968 89 E CA 0.524 56.897 56.400 -0.046 0.000 0.939 89 E CB 0.381 30.054 29.700 -0.045 0.000 0.921 89 E HN 0.284 nan 8.360 nan 0.000 0.477 90 M N 2.858 122.431 119.600 -0.045 0.000 2.228 90 M HA 0.263 4.743 4.480 -0.001 0.000 0.326 90 M C 0.088 176.351 176.300 -0.062 0.000 1.122 90 M CA 0.007 55.276 55.300 -0.053 0.000 1.161 90 M CB 1.302 33.872 32.600 -0.050 0.000 1.437 90 M HN 0.519 nan 8.290 nan 0.000 0.465 91 S N -0.323 115.329 115.700 -0.080 0.000 2.578 91 S HA 0.197 4.667 4.470 -0.001 0.000 0.272 91 S C -0.095 174.426 174.600 -0.131 0.000 1.145 91 S CA -0.681 57.466 58.200 -0.087 0.000 0.835 91 S CB 1.484 64.657 63.200 -0.045 0.000 1.104 91 S HN 0.818 nan 8.310 nan 0.000 0.458 92 E N 0.550 120.658 120.200 -0.153 0.000 2.285 92 E HA -0.044 4.305 4.350 -0.001 0.000 0.194 92 E C -0.398 176.151 176.600 -0.085 0.000 0.997 92 E CA 0.505 56.789 56.400 -0.192 0.000 0.845 92 E CB 0.098 29.684 29.700 -0.189 0.000 0.782 92 E HN 0.521 nan 8.360 nan 0.000 0.491 93 D N 0.264 120.649 120.400 -0.026 0.000 2.453 93 D HA 0.003 4.642 4.640 -0.001 0.000 0.223 93 D C -0.166 176.220 176.300 0.144 0.000 1.183 93 D CA -0.371 53.657 54.000 0.047 0.000 0.933 93 D CB 0.058 40.910 40.800 0.087 0.000 1.038 93 D HN 0.093 nan 8.370 nan 0.000 0.513 94 c N 2.882 121.554 118.600 0.119 0.000 3.489 94 c HA 0.377 4.947 4.570 -0.001 0.000 0.264 94 c C 0.418 174.594 174.090 0.145 0.000 2.026 94 c CA -0.763 55.692 56.329 0.210 0.000 1.705 94 c CB -1.421 41.141 42.510 0.086 0.000 3.389 94 c HN 0.482 nan 8.230 nan 0.000 0.459 95 L N 2.446 123.531 121.223 -0.231 0.000 2.466 95 L HA 0.439 4.778 4.340 -0.001 0.000 0.248 95 L C -0.740 175.292 176.870 -1.397 0.000 1.240 95 L CA 0.329 54.756 54.840 -0.687 0.000 1.180 95 L CB -0.529 41.127 42.059 -0.671 0.000 1.413 95 L HN 0.401 nan 8.230 nan 0.000 0.406 96 Y N 1.398 121.399 120.300 -0.499 0.000 2.662 96 Y HA 0.729 5.279 4.550 -0.001 0.000 0.335 96 Y C -0.084 175.804 175.900 -0.021 0.000 1.066 96 Y CA -1.310 56.568 58.100 -0.369 0.000 1.116 96 Y CB 1.645 40.005 38.460 -0.167 0.000 1.308 96 Y HN 0.122 nan 8.280 nan 0.000 0.502 97 L N -0.459 120.860 121.223 0.160 0.000 2.409 97 L HA 0.747 5.087 4.340 -0.001 0.000 0.255 97 L C -1.506 175.398 176.870 0.056 0.000 1.027 97 L CA -1.250 53.704 54.840 0.189 0.000 0.834 97 L CB 1.924 44.095 42.059 0.186 0.000 1.426 97 L HN 0.498 nan 8.230 nan 0.000 0.411 98 N N 1.167 119.898 118.700 0.052 0.000 2.240 98 N HA 0.772 5.512 4.740 -0.001 0.000 0.302 98 N C -1.411 173.959 175.510 -0.234 0.000 1.106 98 N CA -0.199 52.754 53.050 -0.163 0.000 0.778 98 N CB 2.789 41.143 38.487 -0.222 0.000 1.431 98 N HN 0.669 nan 8.380 nan 0.000 0.479 99 I N 0.433 120.764 120.570 -0.399 0.000 2.478 99 I HA 0.342 4.511 4.170 -0.001 0.000 0.287 99 I C -0.810 175.145 176.117 -0.271 0.000 1.042 99 I CA -0.633 60.533 61.300 -0.223 0.000 1.067 99 I CB 2.094 39.968 38.000 -0.210 0.000 1.233 99 I HN 0.241 nan 8.210 nan 0.000 0.431 100 W N 6.340 127.756 121.300 0.194 0.000 2.314 100 W HA 0.564 5.223 4.660 -0.001 0.000 0.310 100 W C -0.873 175.769 176.519 0.204 0.000 1.075 100 W CA -0.637 56.819 57.345 0.185 0.000 1.253 100 W CB 1.828 31.378 29.460 0.149 0.000 1.238 100 W HN 0.102 nan 8.180 nan 0.000 0.440 101 V N 5.645 125.782 119.914 0.372 0.000 2.513 101 V HA 0.314 4.434 4.120 -0.001 0.000 0.299 101 V C -1.893 174.373 176.094 0.287 0.000 1.035 101 V CA -2.333 60.170 62.300 0.339 0.000 0.889 101 V CB 1.743 33.826 31.823 0.433 0.000 0.988 101 V HN 0.242 nan 8.190 nan 0.000 0.440 102 P HA 0.176 nan 4.420 nan 0.000 0.272 102 P C -0.638 176.769 177.300 0.178 0.000 1.254 102 P CA -0.026 63.194 63.100 0.200 0.000 0.795 102 P CB 0.499 32.287 31.700 0.147 0.000 1.022 103 S N 0.084 115.879 115.700 0.158 0.000 2.677 103 S HA 0.483 4.953 4.470 -0.001 0.000 0.283 103 S C -2.675 171.984 174.600 0.098 0.000 1.159 103 S CA -1.294 56.977 58.200 0.118 0.000 1.001 103 S CB 0.215 63.479 63.200 0.108 0.000 1.032 103 S HN 0.248 nan 8.310 nan 0.000 0.487 104 P HA 0.183 nan 4.420 nan 0.000 0.270 104 P C -0.406 176.944 177.300 0.082 0.000 1.223 104 P CA -0.560 62.575 63.100 0.060 0.000 0.785 104 P CB 0.409 32.137 31.700 0.046 0.000 0.923 105 R N 2.157 122.712 120.500 0.091 0.000 2.537 105 R HA 0.086 4.426 4.340 -0.001 0.000 0.281 105 R C -1.898 174.455 176.300 0.088 0.000 0.988 105 R CA -0.798 55.371 56.100 0.115 0.000 1.077 105 R CB -0.413 29.958 30.300 0.118 0.000 0.932 105 R HN 0.368 nan 8.270 nan 0.000 0.409 106 P HA 0.008 nan 4.420 nan 0.000 0.275 106 P C -0.274 177.055 177.300 0.048 0.000 1.266 106 P CA -0.465 62.674 63.100 0.064 0.000 0.793 106 P CB 0.580 32.321 31.700 0.068 0.000 1.074 107 K N 0.011 120.428 120.400 0.028 0.000 1.991 107 K HA 0.012 4.332 4.320 -0.001 0.000 0.207 107 K C 0.241 176.839 176.600 -0.004 0.000 1.045 107 K CA 1.657 57.950 56.287 0.009 0.000 0.937 107 K CB -1.065 31.436 32.500 0.002 0.000 0.720 107 K HN 0.519 nan 8.250 nan 0.000 0.438 108 S N -0.592 115.108 115.700 -0.001 0.000 2.428 108 S HA 0.274 4.743 4.470 -0.001 0.000 0.269 108 S C -0.946 173.654 174.600 -0.000 0.000 1.026 108 S CA -0.571 57.622 58.200 -0.012 0.000 1.019 108 S CB 0.882 64.058 63.200 -0.041 0.000 1.191 108 S HN 0.437 nan 8.310 nan 0.000 0.429 109 T N 1.713 116.278 114.554 0.017 0.000 2.864 109 T HA 0.695 5.044 4.350 -0.001 0.000 0.289 109 T C -0.205 174.508 174.700 0.022 0.000 1.082 109 T CA -0.213 61.899 62.100 0.019 0.000 1.009 109 T CB 1.625 70.513 68.868 0.034 0.000 1.234 109 T HN 0.780 nan 8.240 nan 0.000 0.526 110 T N 2.220 116.782 114.554 0.012 0.000 2.905 110 T HA 0.295 4.645 4.350 -0.001 0.000 0.299 110 T C -0.081 174.643 174.700 0.039 0.000 1.024 110 T CA -0.105 62.000 62.100 0.009 0.000 1.151 110 T CB 0.025 68.885 68.868 -0.014 0.000 0.987 110 T HN 0.435 nan 8.240 nan 0.000 0.535 111 V N 5.358 125.303 119.914 0.051 0.000 2.483 111 V HA 0.479 4.598 4.120 -0.001 0.000 0.295 111 V C 0.122 176.278 176.094 0.104 0.000 1.035 111 V CA -0.703 61.652 62.300 0.091 0.000 0.896 111 V CB 1.608 33.491 31.823 0.099 0.000 0.986 111 V HN 0.844 nan 8.190 nan 0.000 0.447 112 M N 4.579 124.269 119.600 0.150 0.000 2.197 112 M HA 0.511 4.990 4.480 -0.001 0.000 0.301 112 M C -1.273 175.277 176.300 0.416 0.000 0.987 112 M CA -0.583 54.832 55.300 0.192 0.000 0.921 112 M CB 2.111 34.722 32.600 0.018 0.000 1.569 112 M HN 0.386 nan 8.290 nan 0.000 0.431 113 V N 3.177 123.377 119.914 0.476 0.000 2.370 113 V HA 0.331 4.451 4.120 -0.001 0.000 0.283 113 V C -0.730 175.689 176.094 0.542 0.000 1.023 113 V CA -0.634 61.933 62.300 0.445 0.000 0.857 113 V CB 1.377 33.334 31.823 0.225 0.000 0.985 113 V HN 0.863 nan 8.190 nan 0.000 0.443 114 W N 6.983 128.418 121.300 0.224 0.000 2.335 114 W HA 0.602 5.262 4.660 -0.001 0.000 0.307 114 W C -1.262 175.180 176.519 -0.130 0.000 1.117 114 W CA -0.821 56.422 57.345 -0.170 0.000 1.228 114 W CB 1.211 30.640 29.460 -0.051 0.000 1.240 114 W HN 0.474 nan 8.180 nan 0.000 0.468 115 I N 9.621 129.585 120.570 -1.009 0.000 2.371 115 I HA 0.060 4.230 4.170 -0.001 0.000 0.282 115 I C 0.031 175.348 176.117 -1.333 0.000 1.031 115 I CA -1.061 59.708 61.300 -0.885 0.000 1.180 115 I CB 0.231 37.911 38.000 -0.534 0.000 1.336 115 I HN 0.318 nan 8.210 nan 0.000 0.467 116 Y N 4.784 124.526 120.300 -0.930 0.000 2.279 116 Y HA 0.743 5.292 4.550 -0.001 0.000 0.350 116 Y C 0.494 176.239 175.900 -0.258 0.000 1.288 116 Y CA -1.196 56.521 58.100 -0.639 0.000 1.547 116 Y CB 0.129 38.489 38.460 -0.166 0.000 1.381 116 Y HN 0.540 nan 8.280 nan 0.000 0.630 117 G N -1.582 107.343 108.800 0.209 0.000 2.732 117 G HA2 0.520 4.480 3.960 -0.001 0.000 0.296 117 G HA3 0.520 4.480 3.960 -0.001 0.000 0.296 117 G C -0.980 173.844 174.900 -0.127 0.000 1.448 117 G CA -0.501 44.633 45.100 0.056 0.000 0.911 117 G HN 1.327 nan 8.290 nan 0.000 0.528 118 G N -0.801 107.813 108.800 -0.310 0.000 3.743 118 G HA2 0.563 4.522 3.960 -0.001 0.000 0.289 118 G HA3 0.563 4.522 3.960 -0.001 0.000 0.289 118 G C 0.864 175.226 174.900 -0.897 0.000 2.097 118 G CA 1.000 45.769 45.100 -0.552 0.000 0.624 118 G HN 2.179 nan 8.290 nan 0.000 0.402 119 G N 0.919 109.134 108.800 -0.976 0.000 2.180 119 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.263 119 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.263 119 G C 0.906 175.362 174.900 -0.740 0.000 0.989 119 G CA 0.770 44.930 45.100 -1.566 0.000 0.692 119 G HN 1.607 nan 8.290 nan 0.000 0.526 120 F N -3.331 116.402 119.950 -0.361 0.000 2.794 120 F HA -0.293 4.234 4.527 -0.001 0.000 0.335 120 F C 1.409 177.227 175.800 0.030 0.000 0.653 120 F CA 2.053 59.969 58.000 -0.140 0.000 1.266 120 F CB -2.046 36.766 39.000 -0.314 0.000 1.666 120 F HN 0.933 nan 8.300 nan 0.000 0.314 121 Y N -1.129 119.224 120.300 0.088 0.000 2.426 121 Y HA 0.649 5.199 4.550 -0.001 0.000 0.249 121 Y C 0.584 176.588 175.900 0.174 0.000 1.103 121 Y CA 0.125 58.309 58.100 0.141 0.000 1.256 121 Y CB -0.092 38.372 38.460 0.007 0.000 1.208 121 Y HN 0.068 nan 8.280 nan 0.000 0.519 122 S N -0.615 114.943 115.700 -0.236 0.000 2.651 122 S HA 0.959 5.429 4.470 -0.001 0.000 0.279 122 S C -0.240 174.240 174.600 -0.201 0.000 1.148 122 S CA -0.365 57.758 58.200 -0.128 0.000 0.837 122 S CB 1.944 65.030 63.200 -0.189 0.000 1.138 122 S HN 1.132 nan 8.310 nan 0.000 0.478 123 G N -0.472 108.171 108.800 -0.261 0.000 2.324 123 G HA2 0.556 4.516 3.960 -0.001 0.000 0.293 123 G HA3 0.556 4.516 3.960 -0.001 0.000 0.293 123 G C -1.025 173.329 174.900 -0.910 0.000 1.297 123 G CA 0.042 44.746 45.100 -0.660 0.000 0.853 123 G HN 1.805 nan 8.290 nan 0.000 0.535 124 S N -1.832 112.904 115.700 -1.607 0.000 2.720 124 S HA 0.456 4.925 4.470 -0.001 0.000 0.318 124 S C 0.768 175.277 174.600 -0.152 0.000 0.872 124 S CA 0.935 58.741 58.200 -0.656 0.000 0.794 124 S CB 0.407 63.446 63.200 -0.269 0.000 1.009 124 S HN 2.204 nan 8.310 nan 0.000 0.491 125 S N 1.924 117.759 115.700 0.225 0.000 2.527 125 S HA 0.006 4.476 4.470 -0.001 0.000 0.222 125 S C 1.598 176.460 174.600 0.437 0.000 0.985 125 S CA 1.135 59.660 58.200 0.541 0.000 0.921 125 S CB -0.402 63.142 63.200 0.573 0.000 0.772 125 S HN 1.107 nan 8.310 nan 0.000 0.529 126 T N 0.181 114.835 114.554 0.167 0.000 3.081 126 T HA 0.353 4.703 4.350 -0.001 0.000 0.250 126 T C 0.626 175.179 174.700 -0.244 0.000 1.100 126 T CA -0.455 61.564 62.100 -0.136 0.000 1.038 126 T CB -0.659 67.990 68.868 -0.364 0.000 0.962 126 T HN 0.334 nan 8.240 nan 0.000 0.516 127 L N 2.472 123.594 121.223 -0.169 0.000 2.514 127 L HA 0.095 4.434 4.340 -0.001 0.000 0.280 127 L C 1.189 177.836 176.870 -0.372 0.000 1.223 127 L CA -0.274 54.347 54.840 -0.364 0.000 0.864 127 L CB 0.319 42.006 42.059 -0.620 0.000 1.118 127 L HN 0.168 nan 8.230 nan 0.000 0.494 128 D N 1.600 121.781 120.400 -0.366 0.000 2.309 128 D HA -0.102 4.538 4.640 -0.001 0.000 0.212 128 D C 1.860 177.953 176.300 -0.345 0.000 0.968 128 D CA 0.949 54.783 54.000 -0.276 0.000 0.882 128 D CB 0.137 40.798 40.800 -0.231 0.000 0.918 128 D HN 0.469 nan 8.370 nan 0.000 0.503 129 V N -0.211 119.357 119.914 -0.577 0.000 3.217 129 V HA -0.143 3.976 4.120 -0.001 0.000 0.264 129 V C 0.708 176.390 176.094 -0.685 0.000 1.135 129 V CA 0.782 62.703 62.300 -0.632 0.000 1.142 129 V CB -0.887 30.424 31.823 -0.853 0.000 0.754 129 V HN 0.087 nan 8.190 nan 0.000 0.484 130 Y N 0.378 120.280 120.300 -0.663 0.000 2.781 130 Y HA 0.441 4.991 4.550 -0.001 0.000 0.326 130 Y C 0.669 176.276 175.900 -0.488 0.000 1.019 130 Y CA -1.850 55.612 58.100 -1.064 0.000 1.372 130 Y CB -0.781 37.292 38.460 -0.644 0.000 1.260 130 Y HN 0.156 nan 8.280 nan 0.000 0.546 131 N N 0.972 119.564 118.700 -0.180 0.000 2.406 131 N HA 0.090 4.829 4.740 -0.001 0.000 0.251 131 N C 1.336 176.581 175.510 -0.442 0.000 1.069 131 N CA 0.390 53.274 53.050 -0.277 0.000 0.947 131 N CB 1.591 40.027 38.487 -0.085 0.000 1.111 131 N HN 0.607 nan 8.380 nan 0.000 0.497 132 G N 3.952 111.900 108.800 -1.420 0.000 2.450 132 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.220 132 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.220 132 G C 1.508 175.973 174.900 -0.725 0.000 1.130 132 G CA 0.954 45.423 45.100 -1.051 0.000 0.760 132 G HN 0.768 nan 8.290 nan 0.000 0.557 133 K N -0.244 119.536 120.400 -1.033 0.000 2.107 133 K HA -0.268 4.052 4.320 -0.001 0.000 0.211 133 K C 2.046 178.464 176.600 -0.303 0.000 1.049 133 K CA 1.824 57.823 56.287 -0.479 0.000 0.927 133 K CB -0.795 31.411 32.500 -0.490 0.000 0.714 133 K HN 0.392 nan 8.250 nan 0.000 0.452 134 Y N 0.962 121.212 120.300 -0.085 0.000 2.200 134 Y HA -0.138 4.411 4.550 -0.001 0.000 0.290 134 Y C 2.471 178.390 175.900 0.031 0.000 1.137 134 Y CA 0.907 59.010 58.100 0.004 0.000 1.163 134 Y CB -0.524 37.913 38.460 -0.039 0.000 0.988 134 Y HN 0.033 nan 8.280 nan 0.000 0.518 135 L N 0.030 121.302 121.223 0.081 0.000 2.044 135 L HA -0.030 4.310 4.340 -0.001 0.000 0.205 135 L C 2.429 179.330 176.870 0.052 0.000 1.075 135 L CA 1.805 56.647 54.840 0.004 0.000 0.747 135 L CB -1.286 40.674 42.059 -0.165 0.000 0.903 135 L HN 0.143 nan 8.230 nan 0.000 0.435 136 A N -1.144 121.724 122.820 0.081 0.000 1.873 136 A HA -0.341 3.978 4.320 -0.001 0.000 0.218 136 A C 2.345 180.028 177.584 0.166 0.000 1.193 136 A CA 2.292 54.424 52.037 0.157 0.000 0.629 136 A CB -1.329 17.830 19.000 0.265 0.000 0.826 136 A HN 0.627 nan 8.150 nan 0.000 0.447 137 Y N 0.497 120.825 120.300 0.048 0.000 2.133 137 Y HA -0.131 4.419 4.550 -0.001 0.000 0.287 137 Y C 2.712 178.641 175.900 0.048 0.000 1.134 137 Y CA 2.359 60.488 58.100 0.048 0.000 1.133 137 Y CB -0.746 37.727 38.460 0.022 0.000 0.987 137 Y HN 0.261 nan 8.280 nan 0.000 0.502 138 T N 0.453 115.046 114.554 0.065 0.000 2.803 138 T HA -0.135 4.214 4.350 -0.001 0.000 0.269 138 T C 1.225 175.877 174.700 -0.081 0.000 1.052 138 T CA 1.732 63.796 62.100 -0.060 0.000 1.136 138 T CB -0.120 68.802 68.868 0.089 0.000 0.864 138 T HN 0.371 nan 8.240 nan 0.000 0.467 139 E N 0.246 120.436 120.200 -0.016 0.000 2.526 139 E HA 0.165 4.515 4.350 -0.001 0.000 0.208 139 E C -0.149 176.455 176.600 0.006 0.000 0.997 139 E CA -0.002 56.407 56.400 0.016 0.000 0.961 139 E CB 0.442 30.173 29.700 0.052 0.000 1.030 139 E HN 0.446 nan 8.360 nan 0.000 0.483 140 E N 0.126 120.317 120.200 -0.016 0.000 2.560 140 E HA -0.161 4.189 4.350 -0.001 0.000 0.158 140 E C -1.426 175.200 176.600 0.044 0.000 1.709 140 E CA 0.255 56.662 56.400 0.011 0.000 0.653 140 E CB -0.738 28.960 29.700 -0.004 0.000 1.090 140 E HN -0.087 nan 8.360 nan 0.000 0.355 141 V N 2.088 122.048 119.914 0.077 0.000 3.000 141 V HA 0.292 4.412 4.120 -0.001 0.000 0.300 141 V C -0.417 175.761 176.094 0.140 0.000 1.251 141 V CA -0.890 61.461 62.300 0.085 0.000 0.972 141 V CB 2.582 34.440 31.823 0.058 0.000 1.065 141 V HN 0.130 nan 8.190 nan 0.000 0.431 142 V N 5.559 125.558 119.914 0.142 0.000 2.389 142 V HA 0.312 4.432 4.120 -0.001 0.000 0.264 142 V C -0.141 176.084 176.094 0.218 0.000 1.049 142 V CA -0.288 62.124 62.300 0.186 0.000 0.932 142 V CB 1.156 33.072 31.823 0.156 0.000 1.011 142 V HN 0.521 nan 8.190 nan 0.000 0.475 143 L N 6.931 128.341 121.223 0.312 0.000 2.295 143 L HA 0.683 5.023 4.340 -0.001 0.000 0.285 143 L C -0.431 176.728 176.870 0.481 0.000 1.035 143 L CA 0.027 55.110 54.840 0.405 0.000 0.806 143 L CB 1.656 43.982 42.059 0.445 0.000 1.214 143 L HN 0.456 nan 8.230 nan 0.000 0.426 144 V N 5.180 125.364 119.914 0.450 0.000 2.686 144 V HA 0.707 4.827 4.120 -0.001 0.000 0.306 144 V C -0.529 175.849 176.094 0.473 0.000 1.065 144 V CA -0.232 62.294 62.300 0.376 0.000 0.894 144 V CB 2.420 34.370 31.823 0.211 0.000 1.004 144 V HN 0.992 nan 8.190 nan 0.000 0.424 145 S N 7.125 123.130 115.700 0.509 0.000 2.503 145 S HA 0.880 5.349 4.470 -0.001 0.000 0.301 145 S C -0.748 174.080 174.600 0.379 0.000 1.087 145 S CA -0.790 57.734 58.200 0.539 0.000 1.042 145 S CB 1.671 65.318 63.200 0.745 0.000 1.043 145 S HN 1.168 nan 8.310 nan 0.000 0.489 146 L N 0.081 121.474 121.223 0.284 0.000 2.299 146 L HA 0.951 5.290 4.340 -0.001 0.000 0.268 146 L C -0.059 177.007 176.870 0.327 0.000 1.012 146 L CA -0.762 54.241 54.840 0.273 0.000 0.816 146 L CB 0.744 42.866 42.059 0.106 0.000 1.355 146 L HN 0.617 nan 8.230 nan 0.000 0.457 147 S N -1.059 114.911 115.700 0.450 0.000 2.568 147 S HA 0.863 5.333 4.470 -0.001 0.000 0.293 147 S C -1.527 173.357 174.600 0.473 0.000 1.089 147 S CA -0.394 58.070 58.200 0.440 0.000 0.945 147 S CB 1.526 64.963 63.200 0.394 0.000 1.077 147 S HN 0.787 nan 8.310 nan 0.000 0.485 148 Y N -0.997 119.482 120.300 0.297 0.000 2.592 148 Y HA 0.602 5.152 4.550 -0.001 0.000 0.334 148 Y C -0.947 175.125 175.900 0.286 0.000 1.136 148 Y CA -1.364 56.884 58.100 0.247 0.000 1.042 148 Y CB 0.679 39.221 38.460 0.136 0.000 1.325 148 Y HN 0.453 nan 8.280 nan 0.000 0.457 149 R N 2.541 123.260 120.500 0.366 0.000 2.351 149 R HA 0.453 4.792 4.340 -0.001 0.000 0.318 149 R C -0.090 176.472 176.300 0.436 0.000 1.055 149 R CA -0.214 56.057 56.100 0.285 0.000 0.968 149 R CB 0.623 31.042 30.300 0.198 0.000 0.974 149 R HN 0.678 nan 8.270 nan 0.000 0.439 150 V N 0.830 120.992 119.914 0.415 0.000 3.096 150 V HA 0.875 4.995 4.120 -0.001 0.000 0.319 150 V C 0.855 177.302 176.094 0.588 0.000 1.082 150 V CA 0.078 62.724 62.300 0.577 0.000 1.022 150 V CB 1.216 33.261 31.823 0.370 0.000 1.103 150 V HN 0.947 nan 8.190 nan 0.000 0.455 151 G N 1.086 110.250 108.800 0.607 0.000 2.601 151 G HA2 0.016 3.975 3.960 -0.001 0.000 0.252 151 G HA3 0.016 3.975 3.960 -0.001 0.000 0.252 151 G C 0.956 176.049 174.900 0.322 0.000 1.294 151 G CA 0.777 46.167 45.100 0.484 0.000 0.912 151 G HN 2.183 nan 8.290 nan 0.000 0.574 152 A N -1.338 121.377 122.820 -0.176 0.000 1.978 152 A HA 0.201 4.521 4.320 -0.001 0.000 0.220 152 A C 2.214 179.655 177.584 -0.238 0.000 1.170 152 A CA 2.543 54.147 52.037 -0.722 0.000 0.636 152 A CB -0.507 17.826 19.000 -1.110 0.000 0.810 152 A HN 0.986 nan 8.150 nan 0.000 0.448 153 F N -0.131 119.885 119.950 0.110 0.000 2.250 153 F HA -0.014 4.513 4.527 -0.001 0.000 0.301 153 F C 2.282 178.137 175.800 0.092 0.000 1.077 153 F CA 1.239 59.297 58.000 0.097 0.000 1.348 153 F CB -0.349 38.670 39.000 0.031 0.000 1.040 153 F HN 0.307 nan 8.300 nan 0.000 0.509 154 G N -3.093 105.835 108.800 0.214 0.000 3.274 154 G HA2 0.158 4.118 3.960 -0.001 0.000 0.250 154 G HA3 0.158 4.118 3.960 -0.001 0.000 0.250 154 G C 0.575 175.082 174.900 -0.654 0.000 1.024 154 G CA 0.024 45.040 45.100 -0.139 0.000 0.840 154 G HN 0.309 nan 8.290 nan 0.000 0.522 155 F N -0.441 119.592 119.950 0.139 0.000 2.915 155 F HA 0.397 4.923 4.527 -0.001 0.000 0.347 155 F C 0.390 176.262 175.800 0.120 0.000 1.104 155 F CA -0.858 57.209 58.000 0.111 0.000 1.126 155 F CB 0.565 39.645 39.000 0.133 0.000 1.145 155 F HN -0.028 nan 8.300 nan 0.000 0.541 156 L N 2.365 123.632 121.223 0.073 0.000 2.584 156 L HA 0.466 4.805 4.340 -0.001 0.000 0.272 156 L C 0.119 176.973 176.870 -0.025 0.000 1.195 156 L CA 0.248 55.055 54.840 -0.055 0.000 0.920 156 L CB 0.311 42.067 42.059 -0.506 0.000 1.173 156 L HN 0.139 nan 8.230 nan 0.000 0.489 157 A N 7.043 129.894 122.820 0.051 0.000 2.409 157 A HA 0.541 4.860 4.320 -0.001 0.000 0.300 157 A C -0.652 176.942 177.584 0.016 0.000 1.273 157 A CA -0.494 51.560 52.037 0.029 0.000 0.774 157 A CB 0.312 19.355 19.000 0.072 0.000 1.144 157 A HN 0.731 nan 8.150 nan 0.000 0.472 158 L N 3.417 124.628 121.223 -0.020 0.000 2.475 158 L HA 0.186 4.526 4.340 -0.001 0.000 0.253 158 L C 1.564 178.460 176.870 0.043 0.000 1.137 158 L CA -0.603 54.230 54.840 -0.010 0.000 1.058 158 L CB -0.111 41.903 42.059 -0.074 0.000 1.382 158 L HN 1.022 nan 8.230 nan 0.000 0.416 159 H N 2.695 121.753 119.070 -0.021 0.000 2.322 159 H HA -0.302 4.254 4.556 -0.001 0.000 0.282 159 H C 1.865 177.191 175.328 -0.004 0.000 1.130 159 H CA 2.219 58.264 56.048 -0.006 0.000 1.160 159 H CB 0.054 29.816 29.762 -0.001 0.000 1.352 159 H HN 0.600 nan 8.280 nan 0.000 0.469 160 G N -0.701 107.984 108.800 -0.191 0.000 2.402 160 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.216 160 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.216 160 G C 0.933 175.741 174.900 -0.153 0.000 1.162 160 G CA 0.657 45.604 45.100 -0.254 0.000 0.777 160 G HN 0.608 nan 8.290 nan 0.000 0.539 161 S N -0.618 115.029 115.700 -0.089 0.000 2.560 161 S HA 0.224 4.693 4.470 -0.001 0.000 0.284 161 S C 1.348 175.924 174.600 -0.039 0.000 1.327 161 S CA 0.153 58.318 58.200 -0.059 0.000 1.055 161 S CB 1.387 64.553 63.200 -0.057 0.000 0.868 161 S HN 0.245 nan 8.310 nan 0.000 0.506 162 Q N 2.221 122.009 119.800 -0.020 0.000 2.398 162 Q HA 0.101 4.440 4.340 -0.001 0.000 0.204 162 Q C 1.768 177.782 176.000 0.022 0.000 0.932 162 Q CA 0.537 56.341 55.803 0.001 0.000 0.916 162 Q CB -0.065 28.676 28.738 0.006 0.000 1.024 162 Q HN 0.770 nan 8.270 nan 0.000 0.504 163 E N 0.018 120.230 120.200 0.020 0.000 2.285 163 E HA 0.111 4.461 4.350 -0.001 0.000 0.194 163 E C 0.381 177.018 176.600 0.063 0.000 0.997 163 E CA 0.813 57.244 56.400 0.050 0.000 0.845 163 E CB 0.512 30.238 29.700 0.042 0.000 0.782 163 E HN 0.350 nan 8.360 nan 0.000 0.491 164 A N 1.766 124.591 122.820 0.009 0.000 3.307 164 A HA 0.307 4.626 4.320 -0.001 0.000 0.289 164 A C -2.691 174.881 177.584 -0.021 0.000 1.138 164 A CA -1.008 51.018 52.037 -0.018 0.000 0.860 164 A CB 0.656 19.555 19.000 -0.169 0.000 1.318 164 A HN -0.122 nan 8.150 nan 0.000 0.551 165 P HA 0.480 nan 4.420 nan 0.000 0.280 165 P C 0.631 177.954 177.300 0.039 0.000 1.272 165 P CA 0.111 63.239 63.100 0.046 0.000 0.819 165 P CB 1.537 33.270 31.700 0.056 0.000 1.122 166 G N 0.330 109.167 108.800 0.062 0.000 2.531 166 G HA2 0.119 4.078 3.960 -0.001 0.000 0.253 166 G HA3 0.119 4.078 3.960 -0.001 0.000 0.253 166 G C 0.326 175.218 174.900 -0.014 0.000 1.439 166 G CA -0.560 44.563 45.100 0.038 0.000 1.056 166 G HN 0.616 nan 8.290 nan 0.000 0.555 167 N N -2.052 116.623 118.700 -0.042 0.000 2.758 167 N HA -0.210 4.530 4.740 -0.001 0.000 0.245 167 N C 1.687 177.038 175.510 -0.264 0.000 1.059 167 N CA 0.981 53.930 53.050 -0.169 0.000 0.900 167 N CB -1.128 37.219 38.487 -0.234 0.000 1.145 167 N HN 0.188 nan 8.380 nan 0.000 0.590 168 V N 0.474 120.241 119.914 -0.245 0.000 2.278 168 V HA -0.275 3.844 4.120 -0.001 0.000 0.251 168 V C 2.531 178.494 176.094 -0.219 0.000 1.062 168 V CA 2.636 64.838 62.300 -0.165 0.000 1.038 168 V CB -0.878 30.886 31.823 -0.099 0.000 0.646 168 V HN 0.602 nan 8.190 nan 0.000 0.447 169 G N -1.214 107.261 108.800 -0.541 0.000 2.509 169 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.218 169 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.218 169 G C 1.400 176.238 174.900 -0.104 0.000 1.124 169 G CA 0.366 45.284 45.100 -0.303 0.000 0.776 169 G HN 0.396 nan 8.290 nan 0.000 0.547 170 L N 0.338 121.452 121.223 -0.182 0.000 2.217 170 L HA 0.235 4.574 4.340 -0.001 0.000 0.211 170 L C 2.726 179.680 176.870 0.140 0.000 1.107 170 L CA 0.916 55.702 54.840 -0.091 0.000 0.783 170 L CB -0.476 41.337 42.059 -0.410 0.000 0.919 170 L HN 0.200 nan 8.230 nan 0.000 0.442 171 L N -1.286 120.012 121.223 0.124 0.000 2.095 171 L HA -0.157 4.183 4.340 -0.001 0.000 0.204 171 L C 2.024 178.955 176.870 0.102 0.000 1.080 171 L CA 0.953 55.889 54.840 0.161 0.000 0.759 171 L CB -0.746 41.387 42.059 0.123 0.000 0.914 171 L HN 0.162 nan 8.230 nan 0.000 0.439 172 D N 0.110 120.579 120.400 0.116 0.000 2.172 172 D HA -0.253 4.386 4.640 -0.001 0.000 0.196 172 D C 2.255 178.565 176.300 0.016 0.000 0.999 172 D CA 1.256 55.373 54.000 0.194 0.000 0.856 172 D CB -0.100 40.888 40.800 0.314 0.000 0.934 172 D HN 0.349 nan 8.370 nan 0.000 0.453 173 Q N -0.244 119.564 119.800 0.014 0.000 1.993 173 Q HA -0.109 4.231 4.340 -0.001 0.000 0.202 173 Q C 2.318 178.213 176.000 -0.175 0.000 0.984 173 Q CA 1.015 56.770 55.803 -0.080 0.000 0.837 173 Q CB -0.035 28.721 28.738 0.028 0.000 0.902 173 Q HN 0.188 nan 8.270 nan 0.000 0.423 174 R N 0.238 120.694 120.500 -0.073 0.000 2.096 174 R HA -0.212 4.128 4.340 -0.001 0.000 0.240 174 R C 2.298 178.508 176.300 -0.151 0.000 1.139 174 R CA 1.859 57.871 56.100 -0.148 0.000 0.952 174 R CB -0.226 30.056 30.300 -0.029 0.000 0.854 174 R HN 0.262 nan 8.270 nan 0.000 0.436 175 M N -0.084 119.440 119.600 -0.126 0.000 2.108 175 M HA -0.170 4.310 4.480 -0.001 0.000 0.261 175 M C 2.068 178.190 176.300 -0.296 0.000 1.066 175 M CA 2.180 57.412 55.300 -0.113 0.000 1.107 175 M CB -0.109 32.494 32.600 0.005 0.000 1.356 175 M HN 0.239 nan 8.290 nan 0.000 0.406 176 A N -0.056 122.306 122.820 -0.765 0.000 1.877 176 A HA -0.138 4.182 4.320 -0.001 0.000 0.216 176 A C 1.974 179.407 177.584 -0.252 0.000 1.186 176 A CA 1.506 52.977 52.037 -0.942 0.000 0.620 176 A CB -1.068 17.255 19.000 -1.129 0.000 0.822 176 A HN 0.511 nan 8.150 nan 0.000 0.443 177 L N -0.448 120.645 121.223 -0.215 0.000 2.127 177 L HA -0.193 4.146 4.340 -0.001 0.000 0.211 177 L C 2.597 179.474 176.870 0.012 0.000 1.089 177 L CA 1.769 56.555 54.840 -0.090 0.000 0.757 177 L CB -0.800 41.147 42.059 -0.186 0.000 0.899 177 L HN 0.402 nan 8.230 nan 0.000 0.434 178 Q N -2.039 117.759 119.800 -0.003 0.000 2.020 178 Q HA -0.242 4.097 4.340 -0.001 0.000 0.198 178 Q C 2.175 178.273 176.000 0.163 0.000 0.974 178 Q CA 1.814 57.645 55.803 0.047 0.000 0.829 178 Q CB -0.577 28.180 28.738 0.031 0.000 0.894 178 Q HN 0.633 nan 8.270 nan 0.000 0.433 179 W N 0.649 121.952 121.300 0.006 0.000 2.338 179 W HA -0.209 4.451 4.660 -0.001 0.000 0.304 179 W C 2.004 178.578 176.519 0.092 0.000 1.212 179 W CA 1.570 58.956 57.345 0.068 0.000 1.264 179 W CB -0.084 29.427 29.460 0.085 0.000 1.142 179 W HN -0.090 nan 8.180 nan 0.000 0.512 180 V N 0.026 120.200 119.914 0.434 0.000 2.295 180 V HA -0.400 3.720 4.120 -0.001 0.000 0.246 180 V C 2.559 178.735 176.094 0.136 0.000 1.049 180 V CA 2.376 64.861 62.300 0.309 0.000 1.024 180 V CB -1.443 30.520 31.823 0.233 0.000 0.648 180 V HN 0.376 nan 8.190 nan 0.000 0.447 181 H N 0.377 119.468 119.070 0.035 0.000 2.352 181 H HA -0.185 4.370 4.556 -0.001 0.000 0.299 181 H C 1.818 177.107 175.328 -0.065 0.000 1.097 181 H CA 2.035 58.079 56.048 -0.008 0.000 1.311 181 H CB -0.064 29.698 29.762 -0.000 0.000 1.377 181 H HN 0.398 nan 8.280 nan 0.000 0.504 182 D N -0.286 120.125 120.400 0.019 0.000 2.347 182 D HA -0.031 4.609 4.640 -0.001 0.000 0.215 182 D C 1.026 177.207 176.300 -0.198 0.000 0.976 182 D CA 0.441 54.380 54.000 -0.101 0.000 0.884 182 D CB 0.132 40.882 40.800 -0.083 0.000 0.915 182 D HN 0.472 nan 8.370 nan 0.000 0.526 183 N N -0.415 118.117 118.700 -0.280 0.000 2.104 183 N HA -0.001 4.739 4.740 -0.001 0.000 0.227 183 N C 1.384 176.989 175.510 0.157 0.000 1.321 183 N CA -0.181 52.787 53.050 -0.137 0.000 0.877 183 N CB 0.919 38.872 38.487 -0.891 0.000 1.117 183 N HN -0.005 nan 8.380 nan 0.000 0.486 184 I N 3.181 123.793 120.570 0.070 0.000 2.657 184 I HA -0.240 3.930 4.170 -0.001 0.000 0.261 184 I C 2.232 178.442 176.117 0.154 0.000 1.212 184 I CA 1.461 62.880 61.300 0.198 0.000 1.453 184 I CB -0.144 37.911 38.000 0.092 0.000 1.092 184 I HN 0.197 nan 8.210 nan 0.000 0.452 185 Q N -1.359 118.378 119.800 -0.105 0.000 2.291 185 Q HA -0.153 4.187 4.340 -0.001 0.000 0.205 185 Q C 1.627 177.411 176.000 -0.360 0.000 0.970 185 Q CA 1.483 57.107 55.803 -0.300 0.000 0.876 185 Q CB -0.651 27.764 28.738 -0.538 0.000 0.935 185 Q HN 0.445 nan 8.270 nan 0.000 0.455 186 F N -0.720 119.198 119.950 -0.054 0.000 2.789 186 F HA 0.186 4.712 4.527 -0.001 0.000 0.300 186 F C 0.599 176.169 175.800 -0.383 0.000 1.132 186 F CA 0.104 57.955 58.000 -0.249 0.000 1.404 186 F CB 0.250 39.003 39.000 -0.411 0.000 1.114 186 F HN -0.008 nan 8.300 nan 0.000 0.584 187 F N -0.407 119.568 119.950 0.041 0.000 2.639 187 F HA 0.424 4.950 4.527 -0.001 0.000 0.302 187 F C 1.595 177.408 175.800 0.023 0.000 1.097 187 F CA -0.093 57.904 58.000 -0.005 0.000 1.294 187 F CB -0.050 38.922 39.000 -0.047 0.000 1.027 187 F HN -0.017 nan 8.300 nan 0.000 0.550 188 G N 0.727 109.604 108.800 0.129 0.000 2.160 188 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.244 188 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.244 188 G C 0.421 175.367 174.900 0.076 0.000 1.022 188 G CA -0.160 44.985 45.100 0.075 0.000 0.741 188 G HN 0.753 nan 8.290 nan 0.000 0.508 189 G N -0.714 108.135 108.800 0.081 0.000 2.400 189 G HA2 0.528 4.488 3.960 -0.001 0.000 0.333 189 G HA3 0.528 4.488 3.960 -0.001 0.000 0.333 189 G C -0.799 174.101 174.900 0.000 0.000 1.143 189 G CA -0.050 45.087 45.100 0.061 0.000 0.914 189 G HN 0.239 nan 8.290 nan 0.000 0.480 190 D N 2.051 122.448 120.400 -0.006 0.000 2.365 190 D HA 0.291 4.931 4.640 -0.001 0.000 0.237 190 D C -1.370 174.905 176.300 -0.041 0.000 1.190 190 D CA -2.272 51.705 54.000 -0.038 0.000 0.867 190 D CB 1.842 42.623 40.800 -0.031 0.000 1.050 190 D HN -0.019 nan 8.370 nan 0.000 0.491 191 P HA -0.158 nan 4.420 nan 0.000 0.219 191 P C 0.775 178.046 177.300 -0.048 0.000 1.146 191 P CA 1.385 64.426 63.100 -0.098 0.000 0.808 191 P CB 0.046 31.597 31.700 -0.248 0.000 0.779 192 K N -1.775 118.591 120.400 -0.056 0.000 2.525 192 K HA 0.074 4.393 4.320 -0.001 0.000 0.192 192 K C -0.096 176.493 176.600 -0.019 0.000 1.029 192 K CA 0.867 57.135 56.287 -0.032 0.000 1.029 192 K CB -0.549 31.924 32.500 -0.045 0.000 0.814 192 K HN -0.039 nan 8.250 nan 0.000 0.503 193 T N 1.802 116.350 114.554 -0.011 0.000 3.542 193 T HA 0.183 4.533 4.350 -0.001 0.000 0.276 193 T C -0.843 173.869 174.700 0.019 0.000 1.412 193 T CA -0.741 61.353 62.100 -0.010 0.000 1.664 193 T CB 0.844 69.692 68.868 -0.033 0.000 0.863 193 T HN 0.203 nan 8.240 nan 0.000 0.661 194 V N -0.436 119.518 119.914 0.066 0.000 2.513 194 V HA 0.885 5.005 4.120 -0.001 0.000 0.299 194 V C -0.430 175.756 176.094 0.153 0.000 1.035 194 V CA -0.433 61.933 62.300 0.111 0.000 0.889 194 V CB 1.870 33.782 31.823 0.150 0.000 0.988 194 V HN 0.367 nan 8.190 nan 0.000 0.440 195 T N 7.158 121.796 114.554 0.139 0.000 2.779 195 T HA 0.672 5.022 4.350 -0.001 0.000 0.280 195 T C -0.135 174.704 174.700 0.232 0.000 0.987 195 T CA -0.155 62.048 62.100 0.171 0.000 0.966 195 T CB 1.049 69.964 68.868 0.077 0.000 0.933 195 T HN 0.967 nan 8.240 nan 0.000 0.442 196 I N 1.316 122.017 120.570 0.218 0.000 2.354 196 I HA 0.828 4.998 4.170 -0.001 0.000 0.292 196 I C -0.923 175.388 176.117 0.325 0.000 0.989 196 I CA -1.105 60.315 61.300 0.199 0.000 1.188 196 I CB 0.811 38.733 38.000 -0.129 0.000 1.342 196 I HN 0.466 nan 8.210 nan 0.000 0.457 197 F N 3.489 123.504 119.950 0.110 0.000 2.547 197 F HA 1.001 5.528 4.527 -0.001 0.000 0.316 197 F C -0.316 175.510 175.800 0.044 0.000 1.121 197 F CA -1.713 56.386 58.000 0.165 0.000 0.911 197 F CB 1.276 40.484 39.000 0.346 0.000 1.179 197 F HN 0.736 nan 8.300 nan 0.000 0.443 198 G N 1.871 110.572 108.800 -0.165 0.000 2.690 198 G HA2 0.527 4.486 3.960 -0.001 0.000 0.293 198 G HA3 0.527 4.486 3.960 -0.001 0.000 0.293 198 G C -2.338 172.402 174.900 -0.267 0.000 1.399 198 G CA -0.806 43.901 45.100 -0.656 0.000 0.890 198 G HN 0.839 nan 8.290 nan 0.000 0.485 199 E N 0.382 120.397 120.200 -0.309 0.000 2.238 199 E HA 0.605 4.955 4.350 -0.001 0.000 0.267 199 E C 0.572 177.132 176.600 -0.067 0.000 0.887 199 E CA 0.313 56.707 56.400 -0.009 0.000 0.769 199 E CB 2.128 31.947 29.700 0.198 0.000 1.187 199 E HN 0.955 nan 8.360 nan 0.000 0.416 200 S N 3.168 118.887 115.700 0.031 0.000 4.118 200 S HA -0.377 4.093 4.470 -0.001 0.000 0.624 200 S C 1.440 176.088 174.600 0.080 0.000 1.929 200 S CA 2.114 60.379 58.200 0.108 0.000 4.219 200 S CB -1.744 61.456 63.200 -0.000 0.000 0.206 200 S HN 1.087 nan 8.310 nan 0.000 0.525 201 A N 1.238 123.977 122.820 -0.136 0.000 2.019 201 A HA 0.244 4.564 4.320 -0.001 0.000 0.219 201 A C 2.527 179.879 177.584 -0.387 0.000 1.164 201 A CA 2.281 54.056 52.037 -0.436 0.000 0.644 201 A CB -1.578 16.812 19.000 -1.017 0.000 0.805 201 A HN 1.691 nan 8.150 nan 0.000 0.449 202 G N -0.534 108.100 108.800 -0.276 0.000 2.403 202 G HA2 0.085 4.045 3.960 -0.001 0.000 0.216 202 G HA3 0.085 4.045 3.960 -0.001 0.000 0.216 202 G C 1.482 176.223 174.900 -0.266 0.000 1.154 202 G CA 1.095 45.998 45.100 -0.329 0.000 0.784 202 G HN 0.639 nan 8.290 nan 0.000 0.538 203 G N 1.055 109.751 108.800 -0.173 0.000 2.408 203 G HA2 0.076 4.036 3.960 -0.001 0.000 0.217 203 G HA3 0.076 4.036 3.960 -0.001 0.000 0.217 203 G C 2.011 176.818 174.900 -0.155 0.000 1.150 203 G CA 1.459 46.491 45.100 -0.113 0.000 0.776 203 G HN 0.600 nan 8.290 nan 0.000 0.542 204 A N 0.891 123.626 122.820 -0.142 0.000 1.898 204 A HA 0.045 4.365 4.320 -0.001 0.000 0.216 204 A C 2.706 180.199 177.584 -0.152 0.000 1.181 204 A CA 2.163 54.084 52.037 -0.193 0.000 0.620 204 A CB -0.558 18.327 19.000 -0.192 0.000 0.819 204 A HN 0.308 nan 8.150 nan 0.000 0.442 205 S N -0.199 115.427 115.700 -0.123 0.000 2.359 205 S HA -0.153 4.317 4.470 -0.001 0.000 0.224 205 S C 1.889 176.346 174.600 -0.238 0.000 1.035 205 S CA 1.416 59.507 58.200 -0.183 0.000 1.018 205 S CB -0.667 62.394 63.200 -0.231 0.000 0.876 205 S HN 0.328 nan 8.310 nan 0.000 0.448 206 V N 1.835 121.646 119.914 -0.172 0.000 2.282 206 V HA -0.229 3.891 4.120 -0.001 0.000 0.249 206 V C 2.605 178.642 176.094 -0.095 0.000 1.057 206 V CA 2.136 64.363 62.300 -0.121 0.000 1.032 206 V CB -1.464 30.292 31.823 -0.112 0.000 0.645 206 V HN 0.627 nan 8.190 nan 0.000 0.447 207 G N -1.440 107.259 108.800 -0.168 0.000 2.471 207 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.219 207 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.219 207 G C 1.492 176.363 174.900 -0.048 0.000 1.125 207 G CA 0.592 45.572 45.100 -0.199 0.000 0.775 207 G HN 0.476 nan 8.290 nan 0.000 0.548 208 M N -0.587 118.990 119.600 -0.039 0.000 2.492 208 M HA 0.119 4.599 4.480 -0.001 0.000 0.262 208 M C 1.849 178.280 176.300 0.218 0.000 1.090 208 M CA 0.715 56.105 55.300 0.150 0.000 1.110 208 M CB 0.009 32.682 32.600 0.122 0.000 1.407 208 M HN 0.324 nan 8.290 nan 0.000 0.470 209 H N -0.496 118.685 119.070 0.184 0.000 2.547 209 H HA 0.170 4.726 4.556 -0.001 0.000 0.272 209 H C 1.976 177.514 175.328 0.349 0.000 0.971 209 H CA 0.465 56.623 56.048 0.184 0.000 1.245 209 H CB 0.579 30.315 29.762 -0.043 0.000 1.440 209 H HN 0.252 nan 8.280 nan 0.000 0.540 210 I N 0.093 120.939 120.570 0.461 0.000 2.546 210 I HA -0.181 3.989 4.170 -0.001 0.000 0.255 210 I C 1.458 177.828 176.117 0.422 0.000 1.163 210 I CA 0.558 62.169 61.300 0.519 0.000 1.457 210 I CB 0.219 38.457 38.000 0.397 0.000 1.092 210 I HN 0.258 nan 8.210 nan 0.000 0.434 211 L N -0.093 121.347 121.223 0.362 0.000 2.202 211 L HA 0.108 4.447 4.340 -0.001 0.000 0.205 211 L C 1.454 178.489 176.870 0.275 0.000 1.083 211 L CA 1.088 56.144 54.840 0.361 0.000 0.790 211 L CB -0.406 41.881 42.059 0.380 0.000 0.942 211 L HN -0.014 nan 8.230 nan 0.000 0.452 212 S N -0.371 115.447 115.700 0.197 0.000 2.528 212 S HA 0.143 4.613 4.470 -0.001 0.000 0.277 212 S C -1.516 173.041 174.600 -0.072 0.000 1.297 212 S CA -1.112 57.054 58.200 -0.057 0.000 1.052 212 S CB 0.952 63.885 63.200 -0.445 0.000 0.917 212 S HN -0.025 nan 8.310 nan 0.000 0.492 213 P HA -0.029 nan 4.420 nan 0.000 0.214 213 P C 1.515 178.736 177.300 -0.132 0.000 1.163 213 P CA 1.296 64.341 63.100 -0.092 0.000 0.883 213 P CB -0.184 31.461 31.700 -0.091 0.000 0.788 214 G N -1.338 107.327 108.800 -0.224 0.000 2.498 214 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.219 214 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.219 214 G C 1.395 176.192 174.900 -0.171 0.000 1.119 214 G CA 0.915 45.887 45.100 -0.214 0.000 0.766 214 G HN 0.244 nan 8.290 nan 0.000 0.552 215 S N -0.404 115.217 115.700 -0.132 0.000 2.460 215 S HA 0.116 4.586 4.470 -0.001 0.000 0.226 215 S C 2.088 176.766 174.600 0.131 0.000 1.057 215 S CA 0.093 58.294 58.200 0.002 0.000 0.948 215 S CB 0.020 63.296 63.200 0.127 0.000 0.822 215 S HN 0.283 nan 8.310 nan 0.000 0.512 216 R N 1.763 122.328 120.500 0.108 0.000 2.265 216 R HA -0.232 4.108 4.340 -0.001 0.000 0.256 216 R C 1.220 177.368 176.300 -0.254 0.000 1.120 216 R CA 2.388 58.474 56.100 -0.023 0.000 0.956 216 R CB -0.585 29.698 30.300 -0.029 0.000 0.925 216 R HN 0.305 nan 8.270 nan 0.000 0.448 217 D N -0.414 119.887 120.400 -0.165 0.000 2.269 217 D HA -0.070 4.570 4.640 -0.001 0.000 0.208 217 D C 1.406 177.596 176.300 -0.184 0.000 0.963 217 D CA 0.805 54.693 54.000 -0.186 0.000 0.864 217 D CB 0.001 40.714 40.800 -0.145 0.000 0.936 217 D HN 0.304 nan 8.370 nan 0.000 0.505 218 L N -0.222 120.935 121.223 -0.109 0.000 2.610 218 L HA 0.080 4.420 4.340 -0.001 0.000 0.232 218 L C -0.026 176.979 176.870 0.224 0.000 1.149 218 L CA 0.043 54.876 54.840 -0.011 0.000 0.872 218 L CB -0.387 41.674 42.059 0.004 0.000 0.992 218 L HN -0.026 nan 8.230 nan 0.000 0.447 219 F N -4.874 115.075 119.950 -0.002 0.000 2.686 219 F HA 0.615 5.141 4.527 -0.001 0.000 0.311 219 F C 0.414 176.238 175.800 0.040 0.000 1.128 219 F CA -1.459 56.560 58.000 0.033 0.000 0.946 219 F CB 1.015 40.033 39.000 0.030 0.000 1.336 219 F HN -0.452 nan 8.300 nan 0.000 0.457 220 R N 0.805 121.381 120.500 0.127 0.000 2.041 220 R HA 0.443 4.783 4.340 -0.001 0.000 0.221 220 R C 0.109 176.442 176.300 0.054 0.000 1.196 220 R CA 1.214 57.319 56.100 0.008 0.000 0.969 220 R CB 0.049 30.358 30.300 0.014 0.000 0.858 220 R HN 0.826 nan 8.270 nan 0.000 0.444 221 R N -1.347 119.262 120.500 0.181 0.000 3.029 221 R HA 0.792 5.131 4.340 -0.001 0.000 0.239 221 R C -1.111 175.435 176.300 0.410 0.000 1.351 221 R CA -0.714 55.520 56.100 0.224 0.000 1.052 221 R CB 1.680 31.969 30.300 -0.018 0.000 1.354 221 R HN 0.277 nan 8.270 nan 0.000 0.499 222 A N 0.599 123.663 122.820 0.406 0.000 2.587 222 A HA 0.756 5.076 4.320 -0.001 0.000 0.293 222 A C -1.306 176.436 177.584 0.262 0.000 1.087 222 A CA -0.701 51.527 52.037 0.319 0.000 0.692 222 A CB 1.498 20.652 19.000 0.258 0.000 1.291 222 A HN 0.560 nan 8.150 nan 0.000 0.407 223 I N 0.878 121.553 120.570 0.175 0.000 2.571 223 I HA 0.383 4.553 4.170 -0.001 0.000 0.289 223 I C -1.661 174.532 176.117 0.126 0.000 1.115 223 I CA -0.528 60.809 61.300 0.062 0.000 1.045 223 I CB 2.003 40.028 38.000 0.041 0.000 1.238 223 I HN 0.409 nan 8.210 nan 0.000 0.424 224 L N 6.156 127.425 121.223 0.077 0.000 2.362 224 L HA 0.498 4.837 4.340 -0.001 0.000 0.275 224 L C -0.518 176.453 176.870 0.169 0.000 0.998 224 L CA -0.318 54.565 54.840 0.071 0.000 0.820 224 L CB 1.735 43.771 42.059 -0.039 0.000 1.270 224 L HN 0.482 nan 8.230 nan 0.000 0.415 225 Q N 1.690 121.624 119.800 0.223 0.000 2.327 225 Q HA 0.477 4.817 4.340 -0.001 0.000 0.270 225 Q C -0.312 175.812 176.000 0.206 0.000 1.022 225 Q CA -0.674 55.325 55.803 0.326 0.000 0.773 225 Q CB 1.734 30.748 28.738 0.460 0.000 1.251 225 Q HN 0.635 nan 8.270 nan 0.000 0.457 226 S N 1.256 117.072 115.700 0.193 0.000 3.524 226 S HA -0.143 4.326 4.470 -0.001 0.000 0.377 226 S C -0.024 174.721 174.600 0.242 0.000 0.949 226 S CA 0.682 59.015 58.200 0.221 0.000 1.264 226 S CB -1.070 62.283 63.200 0.254 0.000 0.918 226 S HN 1.000 nan 8.310 nan 0.000 0.517 227 G N 0.153 109.036 108.800 0.138 0.000 2.174 227 G HA2 0.480 4.440 3.960 -0.001 0.000 0.312 227 G HA3 0.480 4.440 3.960 -0.001 0.000 0.312 227 G C -0.751 174.088 174.900 -0.102 0.000 1.663 227 G CA 0.019 45.183 45.100 0.108 0.000 0.920 227 G HN 0.952 nan 8.290 nan 0.000 0.664 228 S N 2.448 118.012 115.700 -0.226 0.000 2.648 228 S HA 0.847 5.316 4.470 -0.001 0.000 0.305 228 S C -1.591 172.699 174.600 -0.517 0.000 1.094 228 S CA -1.364 56.551 58.200 -0.475 0.000 0.983 228 S CB 3.171 66.115 63.200 -0.427 0.000 1.101 228 S HN 0.364 nan 8.310 nan 0.000 0.514 229 P HA -0.019 nan 4.420 nan 0.000 0.233 229 P C 0.273 177.317 177.300 -0.428 0.000 1.167 229 P CA 0.746 63.580 63.100 -0.442 0.000 0.770 229 P CB -0.252 31.233 31.700 -0.358 0.000 0.837 230 N N -0.700 117.760 118.700 -0.399 0.000 2.327 230 N HA 0.019 4.759 4.740 -0.001 0.000 0.231 230 N C -0.251 174.999 175.510 -0.434 0.000 1.130 230 N CA -0.386 52.463 53.050 -0.335 0.000 0.845 230 N CB -1.232 37.161 38.487 -0.156 0.000 1.073 230 N HN -0.038 nan 8.380 nan 0.000 0.496 231 C N 2.672 121.587 119.300 -0.641 0.000 2.662 231 C HA 0.154 4.613 4.460 -0.001 0.000 0.420 231 C C -0.130 174.359 174.990 -0.835 0.000 1.314 231 C CA -0.962 57.542 59.018 -0.857 0.000 1.963 231 C CB 1.382 28.262 27.740 -1.433 0.000 2.686 231 C HN 0.367 nan 8.230 nan 0.000 0.609 232 P HA -0.139 nan 4.420 nan 0.000 0.218 232 P C 1.090 178.189 177.300 -0.335 0.000 1.146 232 P CA 1.949 64.774 63.100 -0.458 0.000 0.813 232 P CB -0.090 31.333 31.700 -0.462 0.000 0.778 233 W N -1.590 119.547 121.300 -0.271 0.000 3.278 233 W HA 0.604 5.264 4.660 -0.001 0.000 0.308 233 W C 0.926 177.489 176.519 0.074 0.000 1.253 233 W CA 0.311 57.585 57.345 -0.119 0.000 1.759 233 W CB -0.868 28.517 29.460 -0.126 0.000 1.093 233 W HN -0.101 nan 8.180 nan 0.000 0.648 234 A N 1.266 123.794 122.820 -0.486 0.000 2.308 234 A HA 0.300 4.620 4.320 -0.001 0.000 0.217 234 A C 0.852 178.296 177.584 -0.232 0.000 1.216 234 A CA 0.804 52.681 52.037 -0.267 0.000 0.864 234 A CB -0.457 18.142 19.000 -0.668 0.000 0.902 234 A HN 0.192 nan 8.150 nan 0.000 0.499 235 S N -1.600 113.951 115.700 -0.248 0.000 2.615 235 S HA 0.722 5.192 4.470 -0.001 0.000 0.269 235 S C -0.865 173.617 174.600 -0.196 0.000 1.161 235 S CA -0.060 57.979 58.200 -0.267 0.000 0.817 235 S CB 1.367 64.343 63.200 -0.373 0.000 1.131 235 S HN 1.369 nan 8.310 nan 0.000 0.467 236 V N -1.500 118.307 119.914 -0.178 0.000 3.216 236 V HA 0.878 4.998 4.120 -0.001 0.000 0.302 236 V C 0.006 176.020 176.094 -0.134 0.000 1.286 236 V CA -0.543 61.672 62.300 -0.142 0.000 1.048 236 V CB 1.029 32.781 31.823 -0.118 0.000 1.081 236 V HN 1.532 nan 8.190 nan 0.000 0.442 237 S N 0.695 116.323 115.700 -0.121 0.000 2.589 237 S HA 0.328 4.798 4.470 -0.001 0.000 0.265 237 S C 1.367 175.898 174.600 -0.115 0.000 1.342 237 S CA 0.058 58.188 58.200 -0.117 0.000 1.005 237 S CB 1.330 64.469 63.200 -0.101 0.000 0.909 237 S HN 2.269 nan 8.310 nan 0.000 0.555 238 V N -0.501 119.322 119.914 -0.151 0.000 2.720 238 V HA -0.016 4.103 4.120 -0.001 0.000 0.256 238 V C 2.246 178.287 176.094 -0.088 0.000 1.082 238 V CA 1.780 63.978 62.300 -0.170 0.000 1.101 238 V CB -1.756 29.808 31.823 -0.431 0.000 0.693 238 V HN 1.007 nan 8.190 nan 0.000 0.479 239 A N 0.024 122.795 122.820 -0.082 0.000 1.832 239 A HA -0.154 4.166 4.320 -0.001 0.000 0.214 239 A C 2.285 179.833 177.584 -0.060 0.000 1.200 239 A CA 1.709 53.714 52.037 -0.054 0.000 0.610 239 A CB -0.812 18.155 19.000 -0.055 0.000 0.842 239 A HN 0.524 nan 8.150 nan 0.000 0.444 240 E N -0.247 119.905 120.200 -0.080 0.000 2.118 240 E HA -0.155 4.194 4.350 -0.001 0.000 0.195 240 E C 2.160 178.705 176.600 -0.092 0.000 0.992 240 E CA 1.234 57.575 56.400 -0.099 0.000 0.804 240 E CB -0.650 28.979 29.700 -0.119 0.000 0.741 240 E HN 0.539 nan 8.360 nan 0.000 0.458 241 G N 1.024 109.781 108.800 -0.071 0.000 2.440 241 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.218 241 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.218 241 G C 1.747 176.641 174.900 -0.011 0.000 1.154 241 G CA 1.014 46.092 45.100 -0.037 0.000 0.767 241 G HN 0.263 nan 8.290 nan 0.000 0.552 242 R N 0.335 120.826 120.500 -0.015 0.000 2.075 242 R HA 0.008 4.347 4.340 -0.001 0.000 0.232 242 R C 2.744 179.033 176.300 -0.019 0.000 1.126 242 R CA 1.104 57.200 56.100 -0.007 0.000 0.963 242 R CB -0.259 30.042 30.300 0.001 0.000 0.858 242 R HN 0.308 nan 8.270 nan 0.000 0.435 243 R N 0.216 120.693 120.500 -0.039 0.000 2.103 243 R HA -0.142 4.198 4.340 -0.001 0.000 0.234 243 R C 2.424 178.697 176.300 -0.045 0.000 1.132 243 R CA 2.191 58.261 56.100 -0.049 0.000 0.925 243 R CB -0.440 29.815 30.300 -0.075 0.000 0.842 243 R HN 0.282 nan 8.270 nan 0.000 0.430 244 R N 0.401 120.859 120.500 -0.070 0.000 2.200 244 R HA -0.093 4.247 4.340 -0.001 0.000 0.234 244 R C 2.273 178.616 176.300 0.071 0.000 1.127 244 R CA 1.102 57.157 56.100 -0.076 0.000 0.989 244 R CB -0.367 29.786 30.300 -0.245 0.000 0.869 244 R HN 0.272 nan 8.270 nan 0.000 0.459 245 A N 1.063 123.931 122.820 0.080 0.000 1.841 245 A HA -0.131 4.189 4.320 -0.001 0.000 0.214 245 A C 2.358 179.954 177.584 0.020 0.000 1.195 245 A CA 1.631 53.716 52.037 0.080 0.000 0.611 245 A CB -0.815 18.184 19.000 -0.002 0.000 0.835 245 A HN 0.240 nan 8.150 nan 0.000 0.443 246 V N -0.527 119.385 119.914 -0.003 0.000 2.358 246 V HA -0.180 3.940 4.120 -0.001 0.000 0.246 246 V C 2.166 178.263 176.094 0.006 0.000 1.047 246 V CA 2.992 65.285 62.300 -0.011 0.000 1.035 246 V CB -0.728 31.085 31.823 -0.017 0.000 0.658 246 V HN 0.548 nan 8.190 nan 0.000 0.452 247 E N 0.346 120.551 120.200 0.009 0.000 2.209 247 E HA -0.218 4.132 4.350 -0.001 0.000 0.196 247 E C 1.827 178.452 176.600 0.041 0.000 0.993 247 E CA 1.885 58.293 56.400 0.013 0.000 0.819 247 E CB -0.561 29.134 29.700 -0.008 0.000 0.745 247 E HN 0.702 nan 8.360 nan 0.000 0.477 248 L N -0.559 120.708 121.223 0.074 0.000 2.044 248 L HA 0.091 4.431 4.340 -0.001 0.000 0.205 248 L C 2.193 179.092 176.870 0.048 0.000 1.075 248 L CA 2.276 57.175 54.840 0.099 0.000 0.747 248 L CB -1.039 41.111 42.059 0.153 0.000 0.903 248 L HN 0.202 nan 8.230 nan 0.000 0.435 249 G N -0.742 108.070 108.800 0.020 0.000 2.440 249 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.218 249 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.218 249 G C 1.800 176.713 174.900 0.022 0.000 1.154 249 G CA 0.853 45.959 45.100 0.010 0.000 0.767 249 G HN 0.404 nan 8.290 nan 0.000 0.552 250 R N 0.577 121.089 120.500 0.021 0.000 2.096 250 R HA -0.103 4.237 4.340 -0.001 0.000 0.240 250 R C 2.411 178.729 176.300 0.031 0.000 1.139 250 R CA 1.771 57.885 56.100 0.022 0.000 0.952 250 R CB -0.488 29.823 30.300 0.017 0.000 0.854 250 R HN 0.485 nan 8.270 nan 0.000 0.436 251 N N 0.161 118.885 118.700 0.040 0.000 2.166 251 N HA -0.151 4.588 4.740 -0.001 0.000 0.186 251 N C 1.169 176.708 175.510 0.049 0.000 1.019 251 N CA 0.885 53.964 53.050 0.048 0.000 0.856 251 N CB -0.047 38.478 38.487 0.063 0.000 0.993 251 N HN 0.240 nan 8.380 nan 0.000 0.426 252 L N 1.536 122.788 121.223 0.048 0.000 2.715 252 L HA 0.118 4.457 4.340 -0.001 0.000 0.238 252 L C -0.089 176.806 176.870 0.043 0.000 1.212 252 L CA -0.098 54.771 54.840 0.049 0.000 1.017 252 L CB -0.513 41.577 42.059 0.051 0.000 1.269 252 L HN 0.163 nan 8.230 nan 0.000 0.452 253 N N -0.959 117.763 118.700 0.038 0.000 2.721 253 N HA -0.190 4.550 4.740 -0.001 0.000 0.249 253 N C 0.031 175.561 175.510 0.033 0.000 1.072 253 N CA 0.544 53.614 53.050 0.033 0.000 0.710 253 N CB -1.577 36.931 38.487 0.034 0.000 0.993 253 N HN 0.336 nan 8.380 nan 0.000 0.547 254 c N 0.550 119.168 118.600 0.031 0.000 2.480 254 c HA 0.245 4.815 4.570 -0.001 0.000 0.358 254 c C 1.441 175.545 174.090 0.024 0.000 1.309 254 c CA -0.833 55.514 56.329 0.030 0.000 2.465 254 c CB 1.014 43.538 42.510 0.023 0.000 2.379 254 c HN 0.419 nan 8.230 nan 0.000 0.642 255 N N 1.989 120.704 118.700 0.026 0.000 2.521 255 N HA 0.095 4.835 4.740 -0.001 0.000 0.236 255 N C 0.146 175.662 175.510 0.011 0.000 1.067 255 N CA -0.277 52.787 53.050 0.022 0.000 0.939 255 N CB 0.288 38.795 38.487 0.033 0.000 1.201 255 N HN 0.447 nan 8.380 nan 0.000 0.511 256 L N 2.786 124.012 121.223 0.006 0.000 2.693 256 L HA 0.026 4.366 4.340 -0.001 0.000 0.242 256 L C 1.601 178.469 176.870 -0.003 0.000 1.157 256 L CA 0.274 55.113 54.840 -0.003 0.000 0.929 256 L CB -2.040 40.017 42.059 -0.002 0.000 1.103 256 L HN 0.542 nan 8.230 nan 0.000 0.430 257 N N 0.117 118.819 118.700 0.003 0.000 2.092 257 N HA -0.121 4.619 4.740 -0.001 0.000 0.189 257 N C 0.861 176.370 175.510 -0.001 0.000 1.040 257 N CA 0.802 53.854 53.050 0.004 0.000 0.845 257 N CB 0.380 38.873 38.487 0.011 0.000 1.017 257 N HN 0.186 nan 8.380 nan 0.000 0.426 258 S N -0.756 114.943 115.700 -0.001 0.000 2.454 258 S HA 0.171 4.640 4.470 -0.001 0.000 0.306 258 S C 0.320 174.898 174.600 -0.037 0.000 1.100 258 S CA -0.815 57.380 58.200 -0.009 0.000 1.087 258 S CB 1.093 64.299 63.200 0.010 0.000 1.019 258 S HN 0.268 nan 8.310 nan 0.000 0.480 259 D N 2.846 123.219 120.400 -0.046 0.000 2.239 259 D HA -0.156 4.483 4.640 -0.001 0.000 0.202 259 D C 1.003 177.225 176.300 -0.131 0.000 0.993 259 D CA 1.532 55.487 54.000 -0.074 0.000 0.874 259 D CB 0.382 41.148 40.800 -0.057 0.000 0.922 259 D HN 0.703 nan 8.370 nan 0.000 0.464 260 E N 0.439 120.561 120.200 -0.129 0.000 2.076 260 E HA -0.080 4.270 4.350 -0.001 0.000 0.190 260 E C 2.076 178.351 176.600 -0.543 0.000 0.979 260 E CA 0.687 56.929 56.400 -0.264 0.000 0.807 260 E CB -0.071 29.607 29.700 -0.037 0.000 0.761 260 E HN 0.429 nan 8.360 nan 0.000 0.454 261 E N 0.628 120.737 120.200 -0.151 0.000 2.072 261 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 261 E C 2.157 178.720 176.600 -0.062 0.000 0.985 261 E CA 0.509 56.915 56.400 0.010 0.000 0.801 261 E CB -0.155 29.590 29.700 0.075 0.000 0.750 261 E HN 0.188 nan 8.360 nan 0.000 0.452 262 L N 1.136 122.302 121.223 -0.094 0.000 1.990 262 L HA -0.242 4.098 4.340 -0.001 0.000 0.213 262 L C 2.382 179.193 176.870 -0.098 0.000 1.072 262 L CA 1.395 56.189 54.840 -0.076 0.000 0.755 262 L CB -0.170 41.836 42.059 -0.088 0.000 0.889 262 L HN 0.176 nan 8.230 nan 0.000 0.432 263 I N -1.065 119.390 120.570 -0.192 0.000 2.226 263 I HA -0.341 3.829 4.170 -0.001 0.000 0.245 263 I C 2.535 178.654 176.117 0.003 0.000 1.100 263 I CA 0.948 62.156 61.300 -0.153 0.000 1.374 263 I CB -0.598 37.272 38.000 -0.218 0.000 1.057 263 I HN 0.377 nan 8.210 nan 0.000 0.413 264 H N -0.300 118.812 119.070 0.070 0.000 2.319 264 H HA -0.211 4.345 4.556 -0.001 0.000 0.299 264 H C 2.503 177.878 175.328 0.078 0.000 1.092 264 H CA 1.709 57.801 56.048 0.074 0.000 1.302 264 H CB -0.989 28.802 29.762 0.048 0.000 1.373 264 H HN 0.464 nan 8.280 nan 0.000 0.497 265 c N 1.235 119.937 118.600 0.169 0.000 2.413 265 c HA -0.125 4.445 4.570 -0.001 0.000 0.277 265 c C 2.920 177.083 174.090 0.122 0.000 1.228 265 c CA 0.744 57.143 56.329 0.117 0.000 1.731 265 c CB -1.390 41.165 42.510 0.075 0.000 2.042 265 c HN 0.454 nan 8.230 nan 0.000 0.468 266 L N 0.131 121.432 121.223 0.130 0.000 2.265 266 L HA -0.107 4.233 4.340 -0.001 0.000 0.215 266 L C 2.785 179.821 176.870 0.277 0.000 1.117 266 L CA 1.416 56.370 54.840 0.189 0.000 0.782 266 L CB -0.658 41.497 42.059 0.159 0.000 0.914 266 L HN 0.361 nan 8.230 nan 0.000 0.441 267 R N 0.079 120.739 120.500 0.267 0.000 2.236 267 R HA -0.067 4.272 4.340 -0.001 0.000 0.208 267 R C 1.755 178.111 176.300 0.094 0.000 1.036 267 R CA 0.717 56.920 56.100 0.171 0.000 1.001 267 R CB 0.152 30.575 30.300 0.204 0.000 0.896 267 R HN 0.327 nan 8.270 nan 0.000 0.464 268 E N -0.398 119.865 120.200 0.105 0.000 2.474 268 E HA 0.029 4.379 4.350 -0.001 0.000 0.195 268 E C -0.384 176.258 176.600 0.071 0.000 1.039 268 E CA 0.070 56.516 56.400 0.076 0.000 0.881 268 E CB 0.497 30.240 29.700 0.073 0.000 0.970 268 E HN 0.023 nan 8.360 nan 0.000 0.486 269 K N 1.689 122.139 120.400 0.083 0.000 2.174 269 K HA 0.190 4.509 4.320 -0.001 0.000 0.275 269 K C 0.143 176.799 176.600 0.092 0.000 1.015 269 K CA -0.446 55.891 56.287 0.083 0.000 0.933 269 K CB 0.872 33.424 32.500 0.088 0.000 1.025 269 K HN -0.189 nan 8.250 nan 0.000 0.463 270 K N 3.584 124.036 120.400 0.086 0.000 2.489 270 K HA -0.014 4.305 4.320 -0.001 0.000 0.278 270 K C -1.360 175.328 176.600 0.147 0.000 1.000 270 K CA -1.294 55.048 56.287 0.092 0.000 1.012 270 K CB 0.205 32.749 32.500 0.074 0.000 0.903 270 K HN 0.358 nan 8.250 nan 0.000 0.485 271 P HA -0.288 nan 4.420 nan 0.000 0.217 271 P C 1.094 178.611 177.300 0.361 0.000 1.162 271 P CA 1.634 64.959 63.100 0.375 0.000 0.901 271 P CB 0.362 32.131 31.700 0.114 0.000 0.793 272 Q N 0.492 120.414 119.800 0.205 0.000 2.297 272 Q HA -0.171 4.169 4.340 -0.001 0.000 0.208 272 Q C 2.076 178.179 176.000 0.172 0.000 0.981 272 Q CA 1.595 57.507 55.803 0.182 0.000 0.876 272 Q CB -0.777 28.032 28.738 0.117 0.000 0.921 272 Q HN 0.412 nan 8.270 nan 0.000 0.446 273 E N -0.783 119.508 120.200 0.151 0.000 2.152 273 E HA -0.119 4.230 4.350 -0.001 0.000 0.192 273 E C 1.550 178.225 176.600 0.125 0.000 0.983 273 E CA 0.616 57.090 56.400 0.124 0.000 0.818 273 E CB 0.030 29.791 29.700 0.101 0.000 0.758 273 E HN 0.303 nan 8.360 nan 0.000 0.467 274 L N 0.804 122.103 121.223 0.126 0.000 2.072 274 L HA -0.100 4.240 4.340 -0.001 0.000 0.205 274 L C 2.323 179.257 176.870 0.107 0.000 1.079 274 L CA 1.368 56.242 54.840 0.057 0.000 0.752 274 L CB -0.792 41.209 42.059 -0.097 0.000 0.906 274 L HN 0.206 nan 8.230 nan 0.000 0.436 275 I N -0.342 120.348 120.570 0.200 0.000 2.361 275 I HA -0.269 3.901 4.170 -0.001 0.000 0.251 275 I C 2.014 178.298 176.117 0.279 0.000 1.133 275 I CA 0.892 62.352 61.300 0.267 0.000 1.413 275 I CB -0.355 37.842 38.000 0.329 0.000 1.073 275 I HN 0.218 nan 8.210 nan 0.000 0.424 276 D N 0.768 121.305 120.400 0.227 0.000 2.117 276 D HA -0.109 4.530 4.640 -0.001 0.000 0.198 276 D C 2.149 178.579 176.300 0.217 0.000 0.982 276 D CA 1.492 55.626 54.000 0.223 0.000 0.828 276 D CB -0.004 40.894 40.800 0.164 0.000 0.967 276 D HN 0.355 nan 8.370 nan 0.000 0.464 277 V N -1.765 118.255 119.914 0.176 0.000 3.647 277 V HA 0.133 4.252 4.120 -0.001 0.000 0.279 277 V C 1.891 178.090 176.094 0.175 0.000 1.314 277 V CA 0.226 62.624 62.300 0.163 0.000 1.125 277 V CB 0.003 31.899 31.823 0.122 0.000 0.907 277 V HN -0.018 nan 8.190 nan 0.000 0.434 278 E N 0.717 121.019 120.200 0.171 0.000 2.136 278 E HA -0.291 4.058 4.350 -0.001 0.000 0.208 278 E C 1.555 178.150 176.600 -0.008 0.000 1.035 278 E CA 2.792 59.261 56.400 0.116 0.000 0.838 278 E CB -0.184 29.513 29.700 -0.005 0.000 0.748 278 E HN 0.865 nan 8.360 nan 0.000 0.459 279 W N 0.254 121.577 121.300 0.039 0.000 3.047 279 W HA 0.059 4.719 4.660 -0.001 0.000 0.250 279 W C 1.350 177.866 176.519 -0.006 0.000 1.314 279 W CA -0.236 57.094 57.345 -0.024 0.000 1.540 279 W CB 0.117 29.517 29.460 -0.101 0.000 1.127 279 W HN 0.015 nan 8.180 nan 0.000 0.679 280 N N 0.340 119.162 118.700 0.203 0.000 2.515 280 N HA -0.066 4.674 4.740 -0.001 0.000 0.191 280 N C 1.545 177.096 175.510 0.069 0.000 1.182 280 N CA 1.043 54.170 53.050 0.130 0.000 0.879 280 N CB -0.297 38.256 38.487 0.111 0.000 0.984 280 N HN 0.255 nan 8.380 nan 0.000 0.453 281 V N -3.227 116.704 119.914 0.029 0.000 3.565 281 V HA 0.207 4.327 4.120 -0.001 0.000 0.260 281 V C 0.942 176.975 176.094 -0.100 0.000 1.231 281 V CA -0.215 62.057 62.300 -0.048 0.000 1.100 281 V CB -0.037 31.728 31.823 -0.097 0.000 0.807 281 V HN -0.058 nan 8.190 nan 0.000 0.454 282 L N 2.931 124.121 121.223 -0.054 0.000 2.573 282 L HA 0.129 4.468 4.340 -0.001 0.000 0.290 282 L C -0.775 176.010 176.870 -0.141 0.000 1.247 282 L CA 0.166 54.969 54.840 -0.061 0.000 0.876 282 L CB 0.251 42.395 42.059 0.141 0.000 1.123 282 L HN 0.283 nan 8.230 nan 0.000 0.505 283 P HA 0.104 nan 4.420 nan 0.000 0.262 283 P C -0.848 176.258 177.300 -0.323 0.000 1.304 283 P CA 0.274 63.099 63.100 -0.459 0.000 0.859 283 P CB 0.315 31.626 31.700 -0.649 0.000 1.310 284 F N -2.842 117.113 119.950 0.008 0.000 2.725 284 F HA 0.470 4.996 4.527 -0.001 0.000 0.309 284 F C -1.148 174.663 175.800 0.018 0.000 1.132 284 F CA -3.048 54.960 58.000 0.013 0.000 0.957 284 F CB -0.400 38.610 39.000 0.017 0.000 1.286 284 F HN -0.391 nan 8.300 nan 0.000 0.440 285 D N 1.773 122.322 120.400 0.248 0.000 2.371 285 D HA 0.489 5.128 4.640 -0.001 0.000 0.256 285 D C -0.447 175.850 176.300 -0.006 0.000 1.193 285 D CA 0.968 55.034 54.000 0.110 0.000 0.881 285 D CB 0.796 41.631 40.800 0.058 0.000 1.143 285 D HN 0.960 nan 8.370 nan 0.000 0.473 286 S N 2.904 118.591 115.700 -0.023 0.000 2.586 286 S HA 0.337 4.807 4.470 -0.001 0.000 0.277 286 S C -0.867 173.697 174.600 -0.059 0.000 1.131 286 S CA -1.125 56.994 58.200 -0.135 0.000 0.848 286 S CB 0.463 63.412 63.200 -0.418 0.000 1.091 286 S HN 0.442 nan 8.310 nan 0.000 0.453 287 I N 2.526 123.061 120.570 -0.058 0.000 2.359 287 I HA 0.666 4.835 4.170 -0.001 0.000 0.294 287 I C -0.853 175.289 176.117 0.043 0.000 0.987 287 I CA -0.514 60.788 61.300 0.003 0.000 1.225 287 I CB 0.578 38.583 38.000 0.008 0.000 1.366 287 I HN 0.958 nan 8.210 nan 0.000 0.466 288 F N 6.459 126.295 119.950 -0.190 0.000 2.912 288 F HA -0.143 4.384 4.527 -0.001 0.000 0.349 288 F C -1.009 174.399 175.800 -0.652 0.000 0.986 288 F CA 0.174 57.894 58.000 -0.468 0.000 1.216 288 F CB -0.786 37.869 39.000 -0.575 0.000 1.406 288 F HN 0.590 nan 8.300 nan 0.000 0.709 289 R N 0.869 121.054 120.500 -0.525 0.000 2.626 289 R HA 0.653 4.993 4.340 -0.001 0.000 0.274 289 R C -1.129 174.800 176.300 -0.619 0.000 1.031 289 R CA -0.578 55.240 56.100 -0.470 0.000 0.898 289 R CB 1.390 31.697 30.300 0.012 0.000 1.222 289 R HN -0.000 nan 8.270 nan 0.000 0.455 290 F N -0.665 119.446 119.950 0.269 0.000 2.546 290 F HA 0.404 4.931 4.527 -0.001 0.000 0.320 290 F C 1.604 177.355 175.800 -0.083 0.000 1.076 290 F CA -0.818 57.240 58.000 0.097 0.000 0.928 290 F CB 1.725 40.862 39.000 0.228 0.000 1.189 290 F HN 0.359 nan 8.300 nan 0.000 0.465 291 S N 0.590 116.187 115.700 -0.171 0.000 2.343 291 S HA -0.054 4.416 4.470 -0.001 0.000 0.219 291 S C 0.117 174.262 174.600 -0.759 0.000 1.033 291 S CA 1.217 59.105 58.200 -0.520 0.000 1.014 291 S CB -0.265 62.504 63.200 -0.718 0.000 0.915 291 S HN 0.338 nan 8.310 nan 0.000 0.435 292 F N 0.862 120.825 119.950 0.022 0.000 2.385 292 F HA 0.663 5.190 4.527 -0.001 0.000 0.360 292 F C 0.030 175.816 175.800 -0.024 0.000 1.122 292 F CA -0.533 57.505 58.000 0.063 0.000 1.090 292 F CB 1.044 40.125 39.000 0.134 0.000 1.150 292 F HN -0.133 nan 8.300 nan 0.000 0.472 293 V N 4.056 123.947 119.914 -0.039 0.000 3.181 293 V HA 0.519 4.638 4.120 -0.001 0.000 0.308 293 V C -2.346 173.533 176.094 -0.358 0.000 1.214 293 V CA -2.666 59.365 62.300 -0.448 0.000 1.053 293 V CB 3.094 34.828 31.823 -0.150 0.000 1.069 293 V HN 0.377 nan 8.190 nan 0.000 0.441 294 P HA 0.113 nan 4.420 nan 0.000 0.266 294 P C -1.181 176.047 177.300 -0.119 0.000 1.195 294 P CA 0.395 63.368 63.100 -0.211 0.000 0.768 294 P CB 0.514 32.007 31.700 -0.345 0.000 0.838 295 V N 5.125 125.040 119.914 0.002 0.000 2.547 295 V HA 0.274 4.393 4.120 -0.001 0.000 0.299 295 V C 0.008 176.123 176.094 0.036 0.000 1.040 295 V CA -0.806 61.483 62.300 -0.018 0.000 0.913 295 V CB 1.202 33.031 31.823 0.010 0.000 0.992 295 V HN 0.306 nan 8.190 nan 0.000 0.449 296 I N 6.346 126.878 120.570 -0.063 0.000 2.260 296 I HA 0.197 4.367 4.170 -0.001 0.000 0.297 296 I C 0.926 177.066 176.117 0.039 0.000 1.143 296 I CA -0.025 61.267 61.300 -0.012 0.000 1.271 296 I CB 0.046 37.952 38.000 -0.156 0.000 1.461 296 I HN 0.774 nan 8.210 nan 0.000 0.530 297 D N 3.643 124.136 120.400 0.155 0.000 2.240 297 D HA 0.030 4.670 4.640 -0.001 0.000 0.206 297 D C 1.460 177.817 176.300 0.095 0.000 0.963 297 D CA 1.172 55.199 54.000 0.045 0.000 0.863 297 D CB 0.394 41.279 40.800 0.141 0.000 0.973 297 D HN 0.628 nan 8.370 nan 0.000 0.501 298 G N -0.611 108.291 108.800 0.170 0.000 2.218 298 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.216 298 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.216 298 G C 0.933 175.910 174.900 0.128 0.000 0.994 298 G CA 0.670 45.853 45.100 0.140 0.000 0.637 298 G HN 0.444 nan 8.290 nan 0.000 0.505 299 E N -0.654 119.631 120.200 0.142 0.000 2.134 299 E HA 0.357 4.706 4.350 -0.001 0.000 0.194 299 E C 2.007 178.631 176.600 0.039 0.000 0.937 299 E CA 1.023 57.476 56.400 0.089 0.000 0.874 299 E CB -0.309 29.455 29.700 0.107 0.000 0.853 299 E HN 0.645 nan 8.360 nan 0.000 0.471 300 F N 0.064 119.940 119.950 -0.123 0.000 2.206 300 F HA 0.313 4.840 4.527 -0.001 0.000 0.298 300 F C 0.180 175.649 175.800 -0.550 0.000 1.090 300 F CA 0.646 58.426 58.000 -0.367 0.000 1.323 300 F CB 0.300 38.981 39.000 -0.531 0.000 1.028 300 F HN 0.109 nan 8.300 nan 0.000 0.492 301 F N 0.367 120.484 119.950 0.279 0.000 2.449 301 F HA 0.372 4.898 4.527 -0.001 0.000 0.342 301 F C -1.673 174.183 175.800 0.094 0.000 1.127 301 F CA -2.754 55.351 58.000 0.174 0.000 0.975 301 F CB 0.903 39.981 39.000 0.131 0.000 1.146 301 F HN -0.269 nan 8.300 nan 0.000 0.444 302 P HA -0.035 nan 4.420 nan 0.000 0.214 302 P C 0.037 177.412 177.300 0.125 0.000 1.162 302 P CA 1.655 64.828 63.100 0.121 0.000 0.879 302 P CB 0.271 32.023 31.700 0.087 0.000 0.786 303 T N -2.537 112.100 114.554 0.138 0.000 2.693 303 T HA 0.366 4.715 4.350 -0.001 0.000 0.278 303 T C -0.377 174.371 174.700 0.079 0.000 0.994 303 T CA -0.682 61.473 62.100 0.091 0.000 1.033 303 T CB 0.629 69.535 68.868 0.064 0.000 1.342 303 T HN -0.077 nan 8.240 nan 0.000 0.538 304 S N 0.724 116.440 115.700 0.025 0.000 2.563 304 S HA 0.089 4.558 4.470 -0.001 0.000 0.284 304 S C 1.114 175.707 174.600 -0.013 0.000 1.331 304 S CA -0.557 57.627 58.200 -0.027 0.000 1.047 304 S CB 0.001 63.183 63.200 -0.031 0.000 0.859 304 S HN 0.429 nan 8.310 nan 0.000 0.514 305 L N 1.321 122.493 121.223 -0.085 0.000 2.083 305 L HA -0.031 4.308 4.340 -0.001 0.000 0.209 305 L C 2.752 179.643 176.870 0.035 0.000 1.083 305 L CA 1.623 56.437 54.840 -0.043 0.000 0.752 305 L CB -1.486 40.485 42.059 -0.147 0.000 0.899 305 L HN 0.749 nan 8.230 nan 0.000 0.433 306 E N -0.370 119.840 120.200 0.017 0.000 2.118 306 E HA -0.153 4.197 4.350 -0.001 0.000 0.195 306 E C 2.284 178.942 176.600 0.097 0.000 0.992 306 E CA 1.403 57.845 56.400 0.070 0.000 0.804 306 E CB 0.020 29.742 29.700 0.038 0.000 0.741 306 E HN 0.467 nan 8.360 nan 0.000 0.458 307 S N 0.568 116.311 115.700 0.072 0.000 2.345 307 S HA -0.123 4.346 4.470 -0.001 0.000 0.220 307 S C 2.115 176.776 174.600 0.100 0.000 1.031 307 S CA 1.309 59.554 58.200 0.075 0.000 0.996 307 S CB -0.266 62.966 63.200 0.053 0.000 0.882 307 S HN 0.262 nan 8.310 nan 0.000 0.445 308 M N 1.097 120.769 119.600 0.120 0.000 2.088 308 M HA -0.139 4.341 4.480 -0.001 0.000 0.256 308 M C 2.097 178.557 176.300 0.266 0.000 1.071 308 M CA 1.395 56.800 55.300 0.175 0.000 1.097 308 M CB -0.781 31.948 32.600 0.214 0.000 1.315 308 M HN 0.222 nan 8.290 nan 0.000 0.406 309 L N 0.316 121.685 121.223 0.244 0.000 2.042 309 L HA -0.248 4.092 4.340 -0.001 0.000 0.210 309 L C 2.259 179.296 176.870 0.278 0.000 1.076 309 L CA 1.852 56.843 54.840 0.251 0.000 0.749 309 L CB -1.516 40.652 42.059 0.183 0.000 0.893 309 L HN 0.462 nan 8.230 nan 0.000 0.432 310 N N -0.298 118.519 118.700 0.195 0.000 2.188 310 N HA -0.131 4.609 4.740 -0.001 0.000 0.184 310 N C 1.789 177.389 175.510 0.149 0.000 1.018 310 N CA 1.649 54.804 53.050 0.176 0.000 0.858 310 N CB 0.222 38.788 38.487 0.130 0.000 0.989 310 N HN 0.408 nan 8.380 nan 0.000 0.426 311 S N -1.385 114.339 115.700 0.039 0.000 2.556 311 S HA 0.268 4.738 4.470 -0.001 0.000 0.216 311 S C 1.214 175.516 174.600 -0.496 0.000 0.970 311 S CA 0.522 58.666 58.200 -0.093 0.000 0.912 311 S CB 0.649 63.807 63.200 -0.070 0.000 0.790 311 S HN 0.359 nan 8.310 nan 0.000 0.504 312 G N 1.911 110.304 108.800 -0.678 0.000 2.132 312 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.228 312 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.228 312 G C -0.079 174.142 174.900 -1.131 0.000 1.000 312 G CA -0.036 44.083 45.100 -1.635 0.000 0.693 312 G HN 0.595 nan 8.290 nan 0.000 0.515 313 N N 0.712 119.160 118.700 -0.421 0.000 2.895 313 N HA 0.524 5.263 4.740 -0.001 0.000 0.277 313 N C -0.144 175.397 175.510 0.051 0.000 1.185 313 N CA -0.099 52.836 53.050 -0.192 0.000 1.106 313 N CB -0.910 37.559 38.487 -0.031 0.000 1.422 313 N HN 0.787 nan 8.380 nan 0.000 0.521 314 F N -1.079 118.841 119.950 -0.050 0.000 2.842 314 F HA 0.374 4.901 4.527 -0.001 0.000 0.319 314 F C -0.492 175.342 175.800 0.056 0.000 1.159 314 F CA -1.442 56.595 58.000 0.062 0.000 0.902 314 F CB 0.626 39.730 39.000 0.173 0.000 1.311 314 F HN -0.115 nan 8.300 nan 0.000 0.453 315 K N 2.559 123.210 120.400 0.419 0.000 2.436 315 K HA 0.163 4.483 4.320 -0.001 0.000 0.282 315 K C -0.836 176.026 176.600 0.437 0.000 1.044 315 K CA -0.344 56.102 56.287 0.265 0.000 1.028 315 K CB 0.473 33.079 32.500 0.177 0.000 0.919 315 K HN 0.711 nan 8.250 nan 0.000 0.474 316 K N 3.919 124.432 120.400 0.188 0.000 2.299 316 K HA 0.144 4.464 4.320 -0.001 0.000 0.268 316 K C -0.181 176.533 176.600 0.190 0.000 1.075 316 K CA -0.635 55.778 56.287 0.210 0.000 0.936 316 K CB 1.483 33.976 32.500 -0.012 0.000 1.228 316 K HN 0.618 nan 8.250 nan 0.000 0.454 317 T N 0.522 115.268 114.554 0.321 0.000 2.573 317 T HA 0.221 4.570 4.350 -0.001 0.000 0.259 317 T C -1.289 173.600 174.700 0.316 0.000 0.886 317 T CA -0.427 61.807 62.100 0.223 0.000 1.110 317 T CB 1.394 70.361 68.868 0.164 0.000 1.421 317 T HN 0.581 nan 8.240 nan 0.000 0.523 318 Q N 1.675 121.640 119.800 0.275 0.000 2.345 318 Q HA 0.642 4.981 4.340 -0.001 0.000 0.268 318 Q C -0.691 175.586 176.000 0.461 0.000 1.054 318 Q CA -0.917 55.099 55.803 0.354 0.000 0.835 318 Q CB 1.911 30.841 28.738 0.320 0.000 1.339 318 Q HN 0.895 nan 8.270 nan 0.000 0.447 319 I N -1.149 119.649 120.570 0.380 0.000 2.934 319 I HA 0.712 4.882 4.170 -0.001 0.000 0.306 319 I C -1.368 174.697 176.117 -0.086 0.000 1.110 319 I CA -1.498 59.928 61.300 0.209 0.000 1.019 319 I CB 2.488 40.460 38.000 -0.047 0.000 1.227 319 I HN 0.652 nan 8.210 nan 0.000 0.434 320 L N 6.404 127.365 121.223 -0.437 0.000 2.404 320 L HA 0.698 5.038 4.340 -0.001 0.000 0.272 320 L C -1.331 175.361 176.870 -0.297 0.000 0.980 320 L CA -0.527 53.934 54.840 -0.631 0.000 0.836 320 L CB 1.524 42.659 42.059 -1.540 0.000 1.238 320 L HN 0.791 nan 8.230 nan 0.000 0.408 321 L N 2.216 123.372 121.223 -0.110 0.000 2.359 321 L HA 1.113 5.453 4.340 -0.001 0.000 0.256 321 L C -0.624 176.093 176.870 -0.256 0.000 1.026 321 L CA -0.536 54.277 54.840 -0.046 0.000 0.828 321 L CB 2.010 44.038 42.059 -0.051 0.000 1.406 321 L HN 0.629 nan 8.230 nan 0.000 0.413 322 G N -0.174 108.328 108.800 -0.496 0.000 2.663 322 G HA2 0.626 4.585 3.960 -0.001 0.000 0.299 322 G HA3 0.626 4.585 3.960 -0.001 0.000 0.299 322 G C -2.129 172.508 174.900 -0.439 0.000 1.372 322 G CA -0.551 43.764 45.100 -1.310 0.000 0.781 322 G HN 0.596 nan 8.290 nan 0.000 0.491 323 V N -0.103 119.665 119.914 -0.243 0.000 3.087 323 V HA 0.598 4.718 4.120 -0.001 0.000 0.306 323 V C -1.235 174.968 176.094 0.180 0.000 1.187 323 V CA -1.051 61.302 62.300 0.088 0.000 0.999 323 V CB 2.579 34.472 31.823 0.116 0.000 1.049 323 V HN 0.742 nan 8.190 nan 0.000 0.431 324 N N 2.192 121.011 118.700 0.199 0.000 2.466 324 N HA 0.398 5.138 4.740 -0.001 0.000 0.294 324 N C 0.737 176.262 175.510 0.025 0.000 1.129 324 N CA -0.633 52.507 53.050 0.150 0.000 0.931 324 N CB 1.433 40.080 38.487 0.265 0.000 1.193 324 N HN 0.591 nan 8.380 nan 0.000 0.500 325 K N 0.285 120.584 120.400 -0.168 0.000 2.044 325 K HA -0.111 4.209 4.320 -0.001 0.000 0.210 325 K C -0.700 176.001 176.600 0.167 0.000 1.049 325 K CA 1.440 57.705 56.287 -0.036 0.000 0.927 325 K CB 0.069 32.521 32.500 -0.080 0.000 0.713 325 K HN 0.566 nan 8.250 nan 0.000 0.443 326 D N 1.379 121.866 120.400 0.145 0.000 2.460 326 D HA 0.073 4.713 4.640 -0.001 0.000 0.268 326 D C 0.575 176.990 176.300 0.192 0.000 1.153 326 D CA -0.126 53.973 54.000 0.165 0.000 0.929 326 D CB 1.407 42.280 40.800 0.121 0.000 1.015 326 D HN 0.114 nan 8.370 nan 0.000 0.502 327 E N 1.019 121.352 120.200 0.221 0.000 2.016 327 E HA -0.081 4.269 4.350 -0.001 0.000 0.190 327 E C 2.089 178.859 176.600 0.283 0.000 0.985 327 E CA 0.573 57.133 56.400 0.267 0.000 0.802 327 E CB -0.081 29.760 29.700 0.236 0.000 0.762 327 E HN 0.449 nan 8.360 nan 0.000 0.448 328 G N 1.330 110.265 108.800 0.225 0.000 2.479 328 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.220 328 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.220 328 G C 1.623 176.666 174.900 0.239 0.000 1.115 328 G CA 1.240 46.488 45.100 0.246 0.000 0.757 328 G HN 0.295 nan 8.290 nan 0.000 0.560 329 S N 0.223 116.026 115.700 0.172 0.000 2.401 329 S HA -0.311 4.159 4.470 -0.001 0.000 0.236 329 S C 2.043 176.626 174.600 -0.028 0.000 1.058 329 S CA 2.015 60.266 58.200 0.084 0.000 1.151 329 S CB -0.566 62.639 63.200 0.008 0.000 1.049 329 S HN 0.442 nan 8.310 nan 0.000 0.432 330 F N 0.780 120.574 119.950 -0.260 0.000 2.161 330 F HA -0.065 4.461 4.527 -0.001 0.000 0.300 330 F C 1.632 177.120 175.800 -0.519 0.000 1.089 330 F CA 1.831 59.520 58.000 -0.518 0.000 1.282 330 F CB -0.421 38.117 39.000 -0.769 0.000 1.010 330 F HN 0.315 nan 8.300 nan 0.000 0.485 331 F N -0.268 119.607 119.950 -0.125 0.000 2.206 331 F HA -0.090 4.437 4.527 -0.001 0.000 0.298 331 F C 2.125 177.800 175.800 -0.208 0.000 1.090 331 F CA 0.904 58.783 58.000 -0.202 0.000 1.323 331 F CB -0.973 37.870 39.000 -0.261 0.000 1.028 331 F HN -0.110 nan 8.300 nan 0.000 0.492 332 L N -0.308 120.828 121.223 -0.145 0.000 1.976 332 L HA -0.224 4.116 4.340 -0.001 0.000 0.209 332 L C 2.614 179.232 176.870 -0.420 0.000 1.071 332 L CA 0.807 55.331 54.840 -0.525 0.000 0.746 332 L CB -0.816 40.538 42.059 -1.176 0.000 0.890 332 L HN 0.180 nan 8.230 nan 0.000 0.432 333 L N -0.604 120.506 121.223 -0.189 0.000 2.034 333 L HA -0.323 4.017 4.340 -0.001 0.000 0.217 333 L C 2.558 179.457 176.870 0.048 0.000 1.077 333 L CA 2.366 57.295 54.840 0.148 0.000 0.769 333 L CB -0.803 41.350 42.059 0.157 0.000 0.890 333 L HN 0.251 nan 8.230 nan 0.000 0.435 334 Y N -0.600 119.564 120.300 -0.227 0.000 2.457 334 Y HA 0.023 4.573 4.550 -0.001 0.000 0.292 334 Y C 2.356 178.181 175.900 -0.125 0.000 1.125 334 Y CA 1.183 59.173 58.100 -0.182 0.000 1.254 334 Y CB -0.121 38.150 38.460 -0.314 0.000 1.012 334 Y HN 0.297 nan 8.280 nan 0.000 0.555 335 G N -1.799 107.015 108.800 0.023 0.000 2.663 335 G HA2 0.385 4.345 3.960 -0.001 0.000 0.200 335 G HA3 0.385 4.345 3.960 -0.001 0.000 0.200 335 G C 0.231 175.134 174.900 0.006 0.000 1.114 335 G CA 0.395 45.494 45.100 -0.002 0.000 0.861 335 G HN 0.278 nan 8.290 nan 0.000 0.702 336 A N 1.451 124.277 122.820 0.011 0.000 2.302 336 A HA 0.720 5.040 4.320 -0.001 0.000 0.285 336 A C -2.396 175.321 177.584 0.223 0.000 1.105 336 A CA -1.308 50.792 52.037 0.106 0.000 0.816 336 A CB 0.607 19.674 19.000 0.113 0.000 1.067 336 A HN 0.105 nan 8.150 nan 0.000 0.489 337 P HA 0.379 nan 4.420 nan 0.000 0.287 337 P C 0.610 177.958 177.300 0.079 0.000 1.281 337 P CA 0.923 64.084 63.100 0.101 0.000 0.781 337 P CB 1.220 32.949 31.700 0.047 0.000 0.903 338 G N 2.500 111.301 108.800 0.002 0.000 2.253 338 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.209 338 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.209 338 G C -0.322 174.371 174.900 -0.345 0.000 0.997 338 G CA -0.584 44.405 45.100 -0.185 0.000 0.640 338 G HN 0.409 nan 8.290 nan 0.000 0.496 339 F N 2.523 122.400 119.950 -0.121 0.000 2.404 339 F HA 0.694 5.220 4.527 -0.001 0.000 0.345 339 F C 0.690 176.462 175.800 -0.045 0.000 1.110 339 F CA -0.181 57.713 58.000 -0.177 0.000 1.130 339 F CB 2.039 41.004 39.000 -0.058 0.000 1.129 339 F HN 0.057 nan 8.300 nan 0.000 0.500 340 S N 2.069 117.836 115.700 0.112 0.000 2.549 340 S HA 0.300 4.770 4.470 -0.001 0.000 0.280 340 S C 0.563 175.380 174.600 0.360 0.000 1.109 340 S CA -1.185 57.127 58.200 0.187 0.000 0.905 340 S CB 2.317 65.551 63.200 0.057 0.000 1.081 340 S HN 0.724 nan 8.310 nan 0.000 0.477 341 K N 0.865 121.467 120.400 0.338 0.000 2.031 341 K HA -0.042 4.277 4.320 -0.001 0.000 0.205 341 K C 0.102 176.823 176.600 0.202 0.000 1.049 341 K CA 1.352 57.810 56.287 0.285 0.000 0.939 341 K CB -0.094 32.388 32.500 -0.029 0.000 0.717 341 K HN 0.477 nan 8.250 nan 0.000 0.438 342 D N 0.812 121.273 120.400 0.102 0.000 2.323 342 D HA 0.011 4.651 4.640 -0.001 0.000 0.239 342 D C -0.169 176.179 176.300 0.079 0.000 1.129 342 D CA 0.257 54.288 54.000 0.052 0.000 0.865 342 D CB 0.536 41.335 40.800 -0.003 0.000 0.913 342 D HN 0.093 nan 8.370 nan 0.000 0.517 343 S N -0.530 115.244 115.700 0.124 0.000 2.599 343 S HA 0.194 4.664 4.470 -0.001 0.000 0.294 343 S C 0.982 175.587 174.600 0.008 0.000 1.094 343 S CA -0.593 57.631 58.200 0.039 0.000 0.931 343 S CB 1.957 65.130 63.200 -0.044 0.000 1.093 343 S HN -0.208 nan 8.310 nan 0.000 0.488 344 E N 1.476 121.637 120.200 -0.065 0.000 2.204 344 E HA -0.024 4.325 4.350 -0.001 0.000 0.195 344 E C 0.084 176.421 176.600 -0.437 0.000 0.990 344 E CA 0.824 57.158 56.400 -0.110 0.000 0.821 344 E CB -0.297 29.360 29.700 -0.071 0.000 0.750 344 E HN 0.768 nan 8.360 nan 0.000 0.477 345 S N 0.817 116.213 115.700 -0.507 0.000 3.608 345 S HA -0.168 4.302 4.470 -0.001 0.000 0.382 345 S C -0.236 173.989 174.600 -0.625 0.000 0.945 345 S CA 0.669 58.428 58.200 -0.735 0.000 1.256 345 S CB -1.033 61.351 63.200 -1.359 0.000 0.913 345 S HN 0.211 nan 8.310 nan 0.000 0.518 346 K N 0.353 120.522 120.400 -0.385 0.000 2.218 346 K HA 0.482 4.802 4.320 -0.001 0.000 0.276 346 K C -0.076 176.333 176.600 -0.318 0.000 1.022 346 K CA -0.453 55.663 56.287 -0.283 0.000 0.946 346 K CB 0.703 33.097 32.500 -0.176 0.000 1.000 346 K HN 0.165 nan 8.250 nan 0.000 0.468 347 I N 1.771 122.176 120.570 -0.275 0.000 2.404 347 I HA 0.032 4.201 4.170 -0.001 0.000 0.293 347 I C 0.345 176.391 176.117 -0.118 0.000 0.992 347 I CA -0.053 61.104 61.300 -0.237 0.000 1.149 347 I CB 1.704 39.555 38.000 -0.248 0.000 1.315 347 I HN 0.622 nan 8.210 nan 0.000 0.446 348 S N 5.180 120.824 115.700 -0.093 0.000 2.579 348 S HA 0.154 4.624 4.470 -0.001 0.000 0.275 348 S C 1.096 175.690 174.600 -0.009 0.000 1.345 348 S CA -0.461 57.705 58.200 -0.056 0.000 1.031 348 S CB 0.581 63.754 63.200 -0.044 0.000 0.892 348 S HN 0.663 nan 8.310 nan 0.000 0.529 349 R N 0.500 120.979 120.500 -0.035 0.000 2.328 349 R HA -0.029 4.311 4.340 -0.001 0.000 0.207 349 R C 1.857 178.202 176.300 0.075 0.000 1.056 349 R CA 1.528 57.608 56.100 -0.033 0.000 1.016 349 R CB -0.203 30.046 30.300 -0.086 0.000 0.872 349 R HN 0.915 nan 8.270 nan 0.000 0.471 350 E N -0.906 119.328 120.200 0.056 0.000 2.364 350 E HA -0.075 4.275 4.350 -0.001 0.000 0.196 350 E C 0.565 177.208 176.600 0.072 0.000 0.990 350 E CA 0.493 56.930 56.400 0.062 0.000 0.886 350 E CB 0.294 30.010 29.700 0.026 0.000 0.866 350 E HN 0.325 nan 8.360 nan 0.000 0.493 351 D N -0.167 120.275 120.400 0.069 0.000 2.327 351 D HA -0.046 4.594 4.640 -0.001 0.000 0.205 351 D C 1.385 177.748 176.300 0.105 0.000 0.989 351 D CA 0.145 54.179 54.000 0.056 0.000 0.873 351 D CB -0.005 40.796 40.800 0.001 0.000 0.955 351 D HN 0.194 nan 8.370 nan 0.000 0.515 352 F N 1.223 121.166 119.950 -0.012 0.000 2.234 352 F HA -0.161 4.365 4.527 -0.001 0.000 0.299 352 F C 2.000 177.814 175.800 0.024 0.000 1.087 352 F CA 1.057 59.063 58.000 0.010 0.000 1.340 352 F CB 0.036 39.024 39.000 -0.020 0.000 1.031 352 F HN -0.197 nan 8.300 nan 0.000 0.500 353 M N -0.050 119.667 119.600 0.195 0.000 2.156 353 M HA -0.134 4.345 4.480 -0.001 0.000 0.264 353 M C 2.364 178.654 176.300 -0.017 0.000 1.067 353 M CA 1.456 56.812 55.300 0.093 0.000 1.131 353 M CB -1.532 31.148 32.600 0.134 0.000 1.368 353 M HN 0.096 nan 8.290 nan 0.000 0.416 354 S N 0.700 116.403 115.700 0.006 0.000 2.368 354 S HA -0.073 4.397 4.470 -0.001 0.000 0.225 354 S C 2.097 176.672 174.600 -0.042 0.000 1.030 354 S CA 1.347 59.543 58.200 -0.008 0.000 0.999 354 S CB -1.021 62.188 63.200 0.015 0.000 0.844 354 S HN 0.636 nan 8.310 nan 0.000 0.459 355 G N 2.012 110.778 108.800 -0.056 0.000 2.514 355 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.217 355 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.217 355 G C 1.489 176.289 174.900 -0.167 0.000 1.198 355 G CA 1.228 46.281 45.100 -0.079 0.000 0.780 355 G HN 0.404 nan 8.290 nan 0.000 0.565 356 V N 1.280 121.013 119.914 -0.302 0.000 2.282 356 V HA -0.284 3.835 4.120 -0.001 0.000 0.249 356 V C 2.856 178.858 176.094 -0.154 0.000 1.057 356 V CA 2.615 64.754 62.300 -0.268 0.000 1.032 356 V CB -0.596 31.042 31.823 -0.308 0.000 0.645 356 V HN 0.455 nan 8.190 nan 0.000 0.447 357 K N 0.004 120.334 120.400 -0.116 0.000 2.044 357 K HA -0.182 4.138 4.320 -0.001 0.000 0.210 357 K C 2.098 178.626 176.600 -0.120 0.000 1.049 357 K CA 1.627 57.856 56.287 -0.096 0.000 0.927 357 K CB -0.499 31.966 32.500 -0.059 0.000 0.713 357 K HN 0.355 nan 8.250 nan 0.000 0.443 358 L N 1.125 122.286 121.223 -0.104 0.000 2.079 358 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 358 L C 2.408 179.196 176.870 -0.137 0.000 1.081 358 L CA 1.127 55.901 54.840 -0.110 0.000 0.752 358 L CB -0.462 41.556 42.059 -0.068 0.000 0.896 358 L HN 0.158 nan 8.230 nan 0.000 0.433 359 S N -0.828 114.798 115.700 -0.124 0.000 2.371 359 S HA -0.027 4.442 4.470 -0.001 0.000 0.224 359 S C 0.999 175.510 174.600 -0.149 0.000 1.029 359 S CA 0.605 58.740 58.200 -0.108 0.000 0.978 359 S CB 0.118 63.256 63.200 -0.102 0.000 0.833 359 S HN 0.189 nan 8.310 nan 0.000 0.466 360 V N 3.154 122.935 119.914 -0.222 0.000 2.233 360 V HA 0.225 4.344 4.120 -0.001 0.000 0.261 360 V C -1.744 174.095 176.094 -0.425 0.000 1.076 360 V CA -1.441 60.621 62.300 -0.396 0.000 1.001 360 V CB 0.493 32.111 31.823 -0.341 0.000 1.206 360 V HN 0.224 nan 8.190 nan 0.000 0.468 361 P HA -0.158 nan 4.420 nan 0.000 0.222 361 P C 0.935 178.129 177.300 -0.177 0.000 1.147 361 P CA 1.400 64.281 63.100 -0.366 0.000 0.790 361 P CB 0.054 31.237 31.700 -0.861 0.000 0.780 362 H N -1.295 117.714 119.070 -0.100 0.000 2.524 362 H HA 0.572 5.127 4.556 -0.001 0.000 0.280 362 H C 0.285 175.615 175.328 0.004 0.000 1.018 362 H CA -0.458 55.607 56.048 0.028 0.000 1.165 362 H CB -0.318 29.480 29.762 0.060 0.000 1.411 362 H HN -0.023 nan 8.280 nan 0.000 0.569 363 A N 1.941 124.556 122.820 -0.341 0.000 2.312 363 A HA 0.395 4.714 4.320 -0.001 0.000 0.328 363 A C 0.171 177.699 177.584 -0.093 0.000 1.158 363 A CA -0.734 51.171 52.037 -0.220 0.000 0.821 363 A CB 1.026 19.861 19.000 -0.276 0.000 1.170 363 A HN 0.578 nan 8.150 nan 0.000 0.490 364 N N 0.932 119.602 118.700 -0.050 0.000 2.476 364 N HA 0.236 4.975 4.740 -0.001 0.000 0.287 364 N C 0.039 175.541 175.510 -0.012 0.000 1.262 364 N CA -0.134 52.904 53.050 -0.020 0.000 0.980 364 N CB -0.049 38.433 38.487 -0.009 0.000 1.163 364 N HN 0.497 nan 8.380 nan 0.000 0.592 365 D N -0.614 119.788 120.400 0.003 0.000 2.156 365 D HA -0.177 4.463 4.640 -0.001 0.000 0.190 365 D C 1.719 178.036 176.300 0.029 0.000 0.998 365 D CA 1.508 55.518 54.000 0.017 0.000 0.842 365 D CB -0.392 40.421 40.800 0.021 0.000 0.974 365 D HN 0.369 nan 8.370 nan 0.000 0.447 366 L N 0.676 121.915 121.223 0.027 0.000 2.034 366 L HA -0.175 4.164 4.340 -0.001 0.000 0.217 366 L C 2.248 179.154 176.870 0.060 0.000 1.077 366 L CA 2.421 57.286 54.840 0.042 0.000 0.769 366 L CB -1.203 40.872 42.059 0.027 0.000 0.890 366 L HN 0.198 nan 8.230 nan 0.000 0.435 367 G N -1.107 107.709 108.800 0.026 0.000 2.459 367 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.217 367 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.217 367 G C 1.643 176.581 174.900 0.062 0.000 1.183 367 G CA 1.071 46.184 45.100 0.023 0.000 0.776 367 G HN 0.438 nan 8.290 nan 0.000 0.552 368 L N 0.619 121.862 121.223 0.034 0.000 2.042 368 L HA -0.107 4.233 4.340 -0.001 0.000 0.210 368 L C 2.613 179.548 176.870 0.108 0.000 1.076 368 L CA 1.555 56.425 54.840 0.050 0.000 0.749 368 L CB -0.345 41.728 42.059 0.024 0.000 0.893 368 L HN 0.136 nan 8.230 nan 0.000 0.432 369 D N -0.074 120.393 120.400 0.112 0.000 2.104 369 D HA -0.203 4.436 4.640 -0.001 0.000 0.194 369 D C 2.240 178.638 176.300 0.164 0.000 0.994 369 D CA 1.599 55.683 54.000 0.140 0.000 0.830 369 D CB -0.108 40.755 40.800 0.105 0.000 0.959 369 D HN 0.367 nan 8.370 nan 0.000 0.452 370 A N 1.072 124.003 122.820 0.185 0.000 1.873 370 A HA -0.204 4.115 4.320 -0.001 0.000 0.218 370 A C 2.630 180.306 177.584 0.153 0.000 1.193 370 A CA 1.884 54.076 52.037 0.258 0.000 0.629 370 A CB -0.995 18.285 19.000 0.467 0.000 0.826 370 A HN 0.158 nan 8.150 nan 0.000 0.447 371 V N -0.129 119.920 119.914 0.225 0.000 2.332 371 V HA -0.267 3.852 4.120 -0.001 0.000 0.248 371 V C 2.732 178.929 176.094 0.171 0.000 1.055 371 V CA 2.567 64.951 62.300 0.141 0.000 1.038 371 V CB -1.410 30.516 31.823 0.171 0.000 0.651 371 V HN 0.670 nan 8.190 nan 0.000 0.450 372 T N 0.385 115.069 114.554 0.217 0.000 2.770 372 T HA -0.122 4.228 4.350 -0.001 0.000 0.263 372 T C 1.921 176.823 174.700 0.337 0.000 1.039 372 T CA 1.464 63.758 62.100 0.325 0.000 1.142 372 T CB -0.401 68.687 68.868 0.366 0.000 0.868 372 T HN 0.309 nan 8.240 nan 0.000 0.435 373 L N 1.283 122.704 121.223 0.331 0.000 2.129 373 L HA -0.150 4.189 4.340 -0.001 0.000 0.212 373 L C 2.322 179.313 176.870 0.203 0.000 1.087 373 L CA 1.747 56.813 54.840 0.377 0.000 0.757 373 L CB -0.711 41.422 42.059 0.123 0.000 0.896 373 L HN 0.119 nan 8.230 nan 0.000 0.434 374 Q N -1.196 118.574 119.800 -0.050 0.000 2.020 374 Q HA -0.131 4.209 4.340 -0.001 0.000 0.198 374 Q C 2.043 177.860 176.000 -0.306 0.000 0.974 374 Q CA 1.927 57.528 55.803 -0.337 0.000 0.829 374 Q CB -0.380 27.863 28.738 -0.825 0.000 0.894 374 Q HN 0.648 nan 8.270 nan 0.000 0.433 375 Y N 0.233 120.508 120.300 -0.041 0.000 2.466 375 Y HA 0.119 4.668 4.550 -0.001 0.000 0.272 375 Y C 0.576 176.446 175.900 -0.049 0.000 1.169 375 Y CA 0.066 58.182 58.100 0.027 0.000 1.285 375 Y CB 0.521 39.071 38.460 0.151 0.000 1.078 375 Y HN -0.134 nan 8.280 nan 0.000 0.523 376 T N 0.869 115.371 114.554 -0.086 0.000 2.889 376 T HA 0.071 4.420 4.350 -0.001 0.000 0.291 376 T C -0.505 173.757 174.700 -0.730 0.000 0.995 376 T CA -0.611 61.140 62.100 -0.583 0.000 1.092 376 T CB 1.037 69.182 68.868 -1.205 0.000 0.954 376 T HN 0.010 nan 8.240 nan 0.000 0.506 377 D N 1.039 121.042 120.400 -0.662 0.000 2.274 377 D HA 0.169 4.809 4.640 -0.001 0.000 0.239 377 D C -0.404 175.563 176.300 -0.554 0.000 1.104 377 D CA -0.794 52.950 54.000 -0.427 0.000 0.840 377 D CB 0.746 41.405 40.800 -0.235 0.000 1.100 377 D HN 0.618 nan 8.370 nan 0.000 0.477 378 W N 2.973 124.238 121.300 -0.059 0.000 3.211 378 W HA 0.142 4.802 4.660 -0.001 0.000 0.292 378 W C 1.787 178.278 176.519 -0.047 0.000 1.268 378 W CA -0.434 56.877 57.345 -0.056 0.000 1.702 378 W CB -0.060 29.370 29.460 -0.050 0.000 1.092 378 W HN 0.371 nan 8.180 nan 0.000 0.643 379 M N 0.679 120.341 119.600 0.104 0.000 2.562 379 M HA -0.005 4.475 4.480 -0.001 0.000 0.257 379 M C -0.223 176.086 176.300 0.014 0.000 1.099 379 M CA 1.362 56.697 55.300 0.058 0.000 1.099 379 M CB 0.047 32.667 32.600 0.034 0.000 1.427 379 M HN -0.167 nan 8.290 nan 0.000 0.489 380 D N -0.261 120.123 120.400 -0.027 0.000 3.117 380 D HA 0.037 4.676 4.640 -0.001 0.000 0.241 380 D C -0.858 175.362 176.300 -0.133 0.000 1.385 380 D CA 0.029 53.993 54.000 -0.060 0.000 0.855 380 D CB -0.202 40.565 40.800 -0.055 0.000 1.498 380 D HN 0.282 nan 8.370 nan 0.000 0.584 381 D N 0.612 120.924 120.400 -0.145 0.000 2.319 381 D HA 0.071 4.711 4.640 -0.001 0.000 0.230 381 D C 0.278 176.422 176.300 -0.260 0.000 1.094 381 D CA -0.095 53.735 54.000 -0.283 0.000 0.856 381 D CB -0.223 40.416 40.800 -0.268 0.000 0.915 381 D HN 0.225 nan 8.370 nan 0.000 0.517 382 N N -0.098 118.496 118.700 -0.176 0.000 2.588 382 N HA 0.051 4.790 4.740 -0.001 0.000 0.298 382 N C -1.121 174.310 175.510 -0.132 0.000 1.718 382 N CA -0.429 52.528 53.050 -0.154 0.000 0.888 382 N CB 0.064 38.493 38.487 -0.096 0.000 1.389 382 N HN -0.091 nan 8.380 nan 0.000 0.491 383 N N -0.246 118.364 118.700 -0.150 0.000 2.422 383 N HA 0.233 4.972 4.740 -0.001 0.000 0.264 383 N C 1.339 176.781 175.510 -0.114 0.000 1.063 383 N CA 0.167 53.150 53.050 -0.112 0.000 0.959 383 N CB 1.353 39.781 38.487 -0.099 0.000 1.087 383 N HN 0.368 nan 8.380 nan 0.000 0.483 384 G N 4.134 112.876 108.800 -0.096 0.000 2.491 384 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.218 384 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.218 384 G C 1.397 176.241 174.900 -0.093 0.000 1.180 384 G CA 0.738 45.775 45.100 -0.105 0.000 0.774 384 G HN 0.651 nan 8.290 nan 0.000 0.562 385 I N 0.934 121.468 120.570 -0.061 0.000 2.202 385 I HA -0.068 4.101 4.170 -0.001 0.000 0.242 385 I C 2.555 178.676 176.117 0.006 0.000 1.091 385 I CA 1.099 62.387 61.300 -0.020 0.000 1.368 385 I CB -1.266 36.737 38.000 0.005 0.000 1.058 385 I HN 0.208 nan 8.210 nan 0.000 0.410 386 K N 0.914 121.300 120.400 -0.023 0.000 2.063 386 K HA -0.172 4.147 4.320 -0.001 0.000 0.208 386 K C 1.857 178.451 176.600 -0.010 0.000 1.048 386 K CA 1.379 57.653 56.287 -0.022 0.000 0.928 386 K CB -0.245 32.207 32.500 -0.081 0.000 0.713 386 K HN 0.324 nan 8.250 nan 0.000 0.442 387 N N 0.703 119.362 118.700 -0.068 0.000 2.244 387 N HA -0.136 4.604 4.740 -0.001 0.000 0.183 387 N C 1.707 177.358 175.510 0.235 0.000 1.016 387 N CA 0.728 53.773 53.050 -0.007 0.000 0.866 387 N CB -0.099 38.315 38.487 -0.122 0.000 0.980 387 N HN 0.202 nan 8.380 nan 0.000 0.430 388 R N 1.262 121.827 120.500 0.108 0.000 2.056 388 R HA -0.065 4.274 4.340 -0.001 0.000 0.227 388 R C 0.771 177.244 176.300 0.288 0.000 1.149 388 R CA 1.307 57.493 56.100 0.143 0.000 0.937 388 R CB -0.233 30.050 30.300 -0.029 0.000 0.835 388 R HN 0.067 nan 8.270 nan 0.000 0.430 389 D N -0.343 120.193 120.400 0.228 0.000 2.149 389 D HA -0.108 4.532 4.640 -0.001 0.000 0.198 389 D C 1.704 178.157 176.300 0.255 0.000 0.990 389 D CA 1.498 55.645 54.000 0.246 0.000 0.839 389 D CB -0.534 40.380 40.800 0.190 0.000 0.948 389 D HN 0.534 nan 8.370 nan 0.000 0.460 390 G N 0.391 109.349 108.800 0.263 0.000 2.443 390 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.219 390 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.219 390 G C 1.571 176.642 174.900 0.285 0.000 1.131 390 G CA 0.159 45.455 45.100 0.326 0.000 0.775 390 G HN 0.181 nan 8.290 nan 0.000 0.547 391 L N 0.929 122.326 121.223 0.289 0.000 2.131 391 L HA 0.067 4.406 4.340 -0.001 0.000 0.206 391 L C 2.318 179.249 176.870 0.102 0.000 1.087 391 L CA 1.721 56.644 54.840 0.138 0.000 0.767 391 L CB -0.389 41.811 42.059 0.235 0.000 0.917 391 L HN 0.206 nan 8.230 nan 0.000 0.441 392 D N -0.517 120.002 120.400 0.198 0.000 2.123 392 D HA -0.229 4.410 4.640 -0.001 0.000 0.196 392 D C 1.527 177.905 176.300 0.130 0.000 0.992 392 D CA 1.427 55.533 54.000 0.177 0.000 0.833 392 D CB 0.062 41.015 40.800 0.254 0.000 0.954 392 D HN 0.315 nan 8.370 nan 0.000 0.455 393 D N -0.162 120.327 120.400 0.148 0.000 2.144 393 D HA -0.069 4.571 4.640 -0.001 0.000 0.200 393 D C 2.303 178.595 176.300 -0.014 0.000 0.978 393 D CA 0.413 54.514 54.000 0.167 0.000 0.833 393 D CB -0.184 40.836 40.800 0.366 0.000 0.961 393 D HN 0.389 nan 8.370 nan 0.000 0.470 394 I N 0.413 120.818 120.570 -0.274 0.000 2.113 394 I HA -0.249 3.921 4.170 -0.001 0.000 0.238 394 I C 2.414 178.413 176.117 -0.197 0.000 1.070 394 I CA 0.728 61.800 61.300 -0.380 0.000 1.332 394 I CB -0.405 37.368 38.000 -0.377 0.000 1.044 394 I HN -0.105 nan 8.210 nan 0.000 0.402 395 V N 1.308 121.153 119.914 -0.114 0.000 2.252 395 V HA -0.275 3.845 4.120 -0.001 0.000 0.249 395 V C 2.612 178.635 176.094 -0.118 0.000 1.056 395 V CA 2.360 64.612 62.300 -0.080 0.000 1.022 395 V CB -1.713 30.119 31.823 0.014 0.000 0.641 395 V HN 0.610 nan 8.190 nan 0.000 0.445 396 G N -0.159 108.622 108.800 -0.031 0.000 2.511 396 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.216 396 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.216 396 G C 1.221 176.061 174.900 -0.099 0.000 1.218 396 G CA 1.226 46.322 45.100 -0.006 0.000 0.788 396 G HN 0.512 nan 8.290 nan 0.000 0.560 397 D N -0.120 120.228 120.400 -0.086 0.000 2.103 397 D HA -0.149 4.491 4.640 -0.001 0.000 0.190 397 D C 2.095 178.078 176.300 -0.527 0.000 0.997 397 D CA 1.617 55.523 54.000 -0.156 0.000 0.833 397 D CB -0.679 40.165 40.800 0.074 0.000 0.961 397 D HN 0.445 nan 8.370 nan 0.000 0.447 398 H N 0.957 119.409 119.070 -1.030 0.000 2.319 398 H HA -0.015 4.540 4.556 -0.001 0.000 0.299 398 H C 1.464 176.405 175.328 -0.645 0.000 1.092 398 H CA 1.964 57.265 56.048 -1.246 0.000 1.302 398 H CB -0.081 28.833 29.762 -1.413 0.000 1.373 398 H HN 0.061 nan 8.280 nan 0.000 0.497 399 N N -0.733 117.498 118.700 -0.781 0.000 2.405 399 N HA -0.006 4.734 4.740 -0.001 0.000 0.175 399 N C 1.149 176.420 175.510 -0.398 0.000 1.051 399 N CA 1.051 53.623 53.050 -0.797 0.000 0.899 399 N CB 1.169 38.829 38.487 -1.379 0.000 1.000 399 N HN 0.284 nan 8.380 nan 0.000 0.451 400 V N 0.305 120.070 119.914 -0.249 0.000 3.161 400 V HA 0.144 4.263 4.120 -0.001 0.000 0.221 400 V C 2.070 178.145 176.094 -0.032 0.000 1.296 400 V CA -0.071 62.201 62.300 -0.046 0.000 1.306 400 V CB 0.102 31.969 31.823 0.072 0.000 1.171 400 V HN -0.067 nan 8.190 nan 0.000 0.513 401 I N 0.664 121.224 120.570 -0.016 0.000 2.072 401 I HA -0.287 3.883 4.170 -0.001 0.000 0.235 401 I C 2.646 178.767 176.117 0.007 0.000 1.058 401 I CA 2.098 63.411 61.300 0.022 0.000 1.320 401 I CB -0.479 37.564 38.000 0.072 0.000 1.047 401 I HN 0.378 nan 8.210 nan 0.000 0.397 402 c N 0.819 119.415 118.600 -0.006 0.000 2.401 402 c HA -0.112 4.457 4.570 -0.001 0.000 0.276 402 c C 0.241 174.353 174.090 0.036 0.000 1.233 402 c CA 1.044 57.405 56.329 0.052 0.000 1.753 402 c CB -2.066 40.504 42.510 0.101 0.000 2.029 402 c HN 0.410 nan 8.230 nan 0.000 0.478 403 P HA -0.086 nan 4.420 nan 0.000 0.217 403 P C 1.744 179.066 177.300 0.037 0.000 1.150 403 P CA 1.045 64.107 63.100 -0.064 0.000 0.832 403 P CB -0.205 31.365 31.700 -0.216 0.000 0.787 404 L N -1.882 119.350 121.223 0.014 0.000 2.056 404 L HA -0.126 4.213 4.340 -0.001 0.000 0.207 404 L C 2.082 179.005 176.870 0.088 0.000 1.078 404 L CA 1.588 56.461 54.840 0.055 0.000 0.749 404 L CB -0.521 41.543 42.059 0.007 0.000 0.901 404 L HN -0.111 nan 8.230 nan 0.000 0.433 405 M N -0.751 118.883 119.600 0.058 0.000 2.159 405 M HA -0.246 4.234 4.480 -0.001 0.000 0.263 405 M C 2.234 178.587 176.300 0.089 0.000 1.063 405 M CA 1.728 57.054 55.300 0.043 0.000 1.110 405 M CB -1.595 31.050 32.600 0.074 0.000 1.374 405 M HN 0.438 nan 8.290 nan 0.000 0.411 406 H N -0.254 118.851 119.070 0.058 0.000 2.293 406 H HA -0.198 4.358 4.556 -0.001 0.000 0.300 406 H C 1.835 177.204 175.328 0.069 0.000 1.082 406 H CA 2.271 58.360 56.048 0.068 0.000 1.308 406 H CB -0.401 29.399 29.762 0.063 0.000 1.375 406 H HN 0.243 nan 8.280 nan 0.000 0.495 407 F N 0.143 120.106 119.950 0.021 0.000 2.161 407 F HA -0.189 4.337 4.527 -0.001 0.000 0.300 407 F C 2.252 178.000 175.800 -0.087 0.000 1.089 407 F CA 1.374 59.339 58.000 -0.058 0.000 1.282 407 F CB -0.775 38.173 39.000 -0.087 0.000 1.010 407 F HN 0.093 nan 8.300 nan 0.000 0.485 408 V N 0.933 120.736 119.914 -0.186 0.000 2.358 408 V HA -0.293 3.827 4.120 -0.001 0.000 0.246 408 V C 2.239 178.194 176.094 -0.231 0.000 1.047 408 V CA 2.121 64.221 62.300 -0.335 0.000 1.035 408 V CB -0.661 30.909 31.823 -0.421 0.000 0.658 408 V HN 0.386 nan 8.190 nan 0.000 0.452 409 N N 0.252 118.877 118.700 -0.125 0.000 2.062 409 N HA -0.122 4.617 4.740 -0.001 0.000 0.191 409 N C 1.784 177.247 175.510 -0.078 0.000 1.042 409 N CA 1.114 54.157 53.050 -0.012 0.000 0.845 409 N CB -0.367 38.121 38.487 0.003 0.000 1.024 409 N HN 0.330 nan 8.380 nan 0.000 0.424 410 K N 0.550 120.839 120.400 -0.185 0.000 2.211 410 K HA -0.136 4.183 4.320 -0.001 0.000 0.204 410 K C 1.893 178.492 176.600 -0.002 0.000 1.047 410 K CA 0.656 56.887 56.287 -0.093 0.000 0.935 410 K CB -0.623 31.794 32.500 -0.138 0.000 0.728 410 K HN 0.371 nan 8.250 nan 0.000 0.452 411 Y N 1.985 122.087 120.300 -0.331 0.000 2.153 411 Y HA -0.193 4.356 4.550 -0.001 0.000 0.289 411 Y C 2.467 178.370 175.900 0.005 0.000 1.119 411 Y CA 2.225 60.113 58.100 -0.353 0.000 1.116 411 Y CB -0.635 37.283 38.460 -0.903 0.000 1.004 411 Y HN 0.194 nan 8.280 nan 0.000 0.501 412 T N -1.224 113.333 114.554 0.005 0.000 3.118 412 T HA -0.217 4.132 4.350 -0.001 0.000 0.269 412 T C 1.657 176.320 174.700 -0.062 0.000 1.166 412 T CA 1.480 63.594 62.100 0.024 0.000 1.073 412 T CB -0.596 68.368 68.868 0.161 0.000 0.884 412 T HN 0.391 nan 8.240 nan 0.000 0.550 413 K N -0.868 119.467 120.400 -0.108 0.000 2.486 413 K HA 0.150 4.470 4.320 -0.001 0.000 0.194 413 K C 0.395 176.606 176.600 -0.649 0.000 1.033 413 K CA 0.616 56.703 56.287 -0.334 0.000 1.004 413 K CB 0.021 32.307 32.500 -0.357 0.000 0.798 413 K HN 0.538 nan 8.250 nan 0.000 0.495 414 F N -1.715 118.153 119.950 -0.136 0.000 2.839 414 F HA 0.253 4.780 4.527 -0.001 0.000 0.355 414 F C 1.116 176.778 175.800 -0.229 0.000 0.904 414 F CA -0.439 57.447 58.000 -0.188 0.000 1.098 414 F CB -0.059 38.771 39.000 -0.284 0.000 0.982 414 F HN -0.099 nan 8.300 nan 0.000 0.600 415 G N 0.529 109.216 108.800 -0.188 0.000 2.630 415 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.236 415 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.236 415 G C 0.273 175.187 174.900 0.022 0.000 1.248 415 G CA -0.221 44.755 45.100 -0.207 0.000 0.844 415 G HN 0.394 nan 8.290 nan 0.000 0.588 416 N N 0.312 119.084 118.700 0.120 0.000 2.376 416 N HA 0.349 5.088 4.740 -0.001 0.000 0.249 416 N C 0.389 175.970 175.510 0.119 0.000 1.140 416 N CA 0.283 53.391 53.050 0.096 0.000 0.870 416 N CB -0.114 38.427 38.487 0.089 0.000 1.124 416 N HN 0.903 nan 8.380 nan 0.000 0.505 417 G N 0.111 108.984 108.800 0.122 0.000 2.312 417 G HA2 0.003 3.963 3.960 -0.001 0.000 0.322 417 G HA3 0.003 3.963 3.960 -0.001 0.000 0.322 417 G C -1.255 173.675 174.900 0.051 0.000 1.645 417 G CA -0.839 44.297 45.100 0.060 0.000 0.919 417 G HN 0.036 nan 8.290 nan 0.000 0.699 418 T N 1.552 115.986 114.554 -0.199 0.000 3.011 418 T HA 0.583 4.933 4.350 -0.001 0.000 0.303 418 T C -1.341 173.109 174.700 -0.417 0.000 0.997 418 T CA -0.384 61.626 62.100 -0.151 0.000 1.007 418 T CB 1.004 69.881 68.868 0.015 0.000 1.017 418 T HN 0.480 nan 8.240 nan 0.000 0.443 419 Y N 2.461 122.683 120.300 -0.130 0.000 2.341 419 Y HA 0.720 5.269 4.550 -0.001 0.000 0.338 419 Y C -0.411 175.509 175.900 0.033 0.000 0.965 419 Y CA -1.279 56.685 58.100 -0.226 0.000 1.108 419 Y CB 1.569 39.489 38.460 -0.899 0.000 1.180 419 Y HN 0.438 nan 8.280 nan 0.000 0.458 420 L N 6.134 127.703 121.223 0.576 0.000 2.376 420 L HA 0.545 4.884 4.340 -0.001 0.000 0.275 420 L C -1.346 175.954 176.870 0.718 0.000 0.987 420 L CA -1.177 53.953 54.840 0.483 0.000 0.828 420 L CB 0.617 42.799 42.059 0.204 0.000 1.249 420 L HN 0.516 nan 8.230 nan 0.000 0.409 421 Y N 3.601 124.248 120.300 0.577 0.000 2.528 421 Y HA 0.762 5.311 4.550 -0.001 0.000 0.335 421 Y C -1.522 174.665 175.900 0.479 0.000 1.093 421 Y CA -1.972 56.377 58.100 0.415 0.000 1.134 421 Y CB 1.330 39.969 38.460 0.300 0.000 1.253 421 Y HN 0.550 nan 8.280 nan 0.000 0.478 422 F N 4.708 124.969 119.950 0.519 0.000 2.646 422 F HA 0.431 4.957 4.527 -0.001 0.000 0.364 422 F C -1.844 174.253 175.800 0.495 0.000 1.137 422 F CA -1.911 56.338 58.000 0.415 0.000 1.085 422 F CB 0.412 39.669 39.000 0.428 0.000 1.331 422 F HN 0.573 nan 8.300 nan 0.000 0.472 423 F N 7.409 127.379 119.950 0.034 0.000 2.456 423 F HA 0.308 4.834 4.527 -0.001 0.000 0.358 423 F C 0.212 175.793 175.800 -0.365 0.000 1.095 423 F CA -0.055 57.904 58.000 -0.069 0.000 1.216 423 F CB 0.693 39.737 39.000 0.074 0.000 1.125 423 F HN 0.577 nan 8.300 nan 0.000 0.549 424 N N 2.983 121.194 118.700 -0.814 0.000 2.527 424 N HA 0.062 4.802 4.740 -0.001 0.000 0.279 424 N C -1.403 173.790 175.510 -0.528 0.000 1.571 424 N CA -0.543 52.156 53.050 -0.586 0.000 0.858 424 N CB -0.908 37.393 38.487 -0.311 0.000 1.422 424 N HN 0.647 nan 8.380 nan 0.000 0.491 425 H N 0.697 119.134 119.070 -1.056 0.000 2.467 425 H HA 0.507 5.063 4.556 -0.001 0.000 0.326 425 H C -0.470 174.645 175.328 -0.355 0.000 1.094 425 H CA -0.526 55.149 56.048 -0.622 0.000 1.253 425 H CB 1.136 30.487 29.762 -0.684 0.000 1.439 425 H HN 0.168 nan 8.280 nan 0.000 0.479 426 R N 4.238 124.300 120.500 -0.730 0.000 2.198 426 R HA 0.512 4.851 4.340 -0.001 0.000 0.339 426 R C -0.543 175.506 176.300 -0.418 0.000 1.020 426 R CA -0.632 55.238 56.100 -0.383 0.000 0.864 426 R CB 0.258 30.437 30.300 -0.202 0.000 1.105 426 R HN 0.841 nan 8.270 nan 0.000 0.463 427 A N 3.166 126.001 122.820 0.024 0.000 2.598 427 A HA -0.078 4.241 4.320 -0.001 0.000 0.239 427 A C 1.464 179.146 177.584 0.163 0.000 1.032 427 A CA 0.853 53.095 52.037 0.343 0.000 0.760 427 A CB 0.179 19.523 19.000 0.572 0.000 0.946 427 A HN 1.056 nan 8.150 nan 0.000 0.512 428 S N 1.922 117.759 115.700 0.228 0.000 2.400 428 S HA -0.217 4.252 4.470 -0.001 0.000 0.232 428 S C 1.051 175.674 174.600 0.039 0.000 1.025 428 S CA 1.519 59.790 58.200 0.118 0.000 0.993 428 S CB -0.497 62.794 63.200 0.152 0.000 0.808 428 S HN 1.019 nan 8.310 nan 0.000 0.478 429 N N 0.826 119.524 118.700 -0.003 0.000 2.251 429 N HA 0.229 4.969 4.740 -0.001 0.000 0.217 429 N C 0.079 175.546 175.510 -0.070 0.000 1.124 429 N CA -0.347 52.645 53.050 -0.097 0.000 0.843 429 N CB -0.674 37.653 38.487 -0.266 0.000 1.024 429 N HN 0.429 nan 8.380 nan 0.000 0.501 430 L N 1.297 122.523 121.223 0.006 0.000 2.559 430 L HA -0.060 4.280 4.340 -0.001 0.000 0.282 430 L C 1.467 178.319 176.870 -0.030 0.000 1.232 430 L CA -0.035 54.813 54.840 0.014 0.000 0.885 430 L CB 0.902 42.977 42.059 0.028 0.000 1.131 430 L HN 0.170 nan 8.230 nan 0.000 0.498 431 V N -0.259 119.599 119.914 -0.093 0.000 3.506 431 V HA 0.040 4.160 4.120 -0.001 0.000 0.263 431 V C 0.567 176.644 176.094 -0.029 0.000 1.203 431 V CA -0.441 61.787 62.300 -0.120 0.000 1.133 431 V CB -0.750 30.897 31.823 -0.294 0.000 0.802 431 V HN 0.601 nan 8.190 nan 0.000 0.459 432 W N 1.818 123.122 121.300 0.007 0.000 2.183 432 W HA 0.527 5.186 4.660 -0.001 0.000 0.348 432 W C -1.781 174.672 176.519 -0.111 0.000 1.257 432 W CA -2.013 55.326 57.345 -0.010 0.000 1.324 432 W CB -0.041 29.326 29.460 -0.154 0.000 1.144 432 W HN -0.012 nan 8.180 nan 0.000 0.622 433 P HA -0.001 nan 4.420 nan 0.000 0.272 433 P C 0.079 177.290 177.300 -0.148 0.000 1.223 433 P CA 0.265 63.351 63.100 -0.025 0.000 0.784 433 P CB 0.974 32.688 31.700 0.023 0.000 0.923 434 E N 1.654 121.840 120.200 -0.023 0.000 2.118 434 E HA -0.151 4.199 4.350 -0.001 0.000 0.195 434 E C 1.852 178.457 176.600 0.009 0.000 0.992 434 E CA 1.347 57.746 56.400 -0.002 0.000 0.804 434 E CB -0.426 29.317 29.700 0.070 0.000 0.741 434 E HN 0.701 nan 8.360 nan 0.000 0.458 435 W N 0.799 122.150 121.300 0.085 0.000 2.436 435 W HA -0.111 4.549 4.660 -0.001 0.000 0.261 435 W C 1.413 178.000 176.519 0.112 0.000 1.222 435 W CA 0.524 57.927 57.345 0.097 0.000 1.191 435 W CB -0.741 28.781 29.460 0.103 0.000 1.132 435 W HN 0.014 nan 8.180 nan 0.000 0.596 436 M N 1.027 120.285 119.600 -0.571 0.000 2.388 436 M HA 0.125 4.605 4.480 -0.001 0.000 0.265 436 M C 1.800 177.990 176.300 -0.183 0.000 1.088 436 M CA 1.500 56.463 55.300 -0.561 0.000 1.134 436 M CB -0.833 31.311 32.600 -0.759 0.000 1.384 436 M HN 0.122 nan 8.290 nan 0.000 0.447 437 G N 0.845 109.582 108.800 -0.104 0.000 2.574 437 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.282 437 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.282 437 G C -0.158 174.718 174.900 -0.040 0.000 1.257 437 G CA -0.252 44.829 45.100 -0.032 0.000 0.956 437 G HN 0.233 nan 8.290 nan 0.000 0.560 438 V N 1.853 121.767 119.914 -0.000 0.000 2.341 438 V HA 0.293 4.412 4.120 -0.001 0.000 0.248 438 V C 1.297 177.454 176.094 0.104 0.000 1.107 438 V CA 0.307 62.634 62.300 0.046 0.000 1.069 438 V CB -0.664 31.160 31.823 0.000 0.000 1.177 438 V HN 0.519 nan 8.190 nan 0.000 0.492 439 I N 2.941 123.557 120.570 0.076 0.000 2.882 439 I HA 0.119 4.288 4.170 -0.001 0.000 0.286 439 I C 0.884 177.142 176.117 0.236 0.000 1.139 439 I CA -0.400 60.946 61.300 0.077 0.000 1.379 439 I CB 0.252 38.150 38.000 -0.170 0.000 1.410 439 I HN 0.554 nan 8.210 nan 0.000 0.594 440 H N 3.101 122.209 119.070 0.064 0.000 2.929 440 H HA 0.256 4.812 4.556 -0.001 0.000 0.317 440 H C 0.910 176.185 175.328 -0.089 0.000 1.031 440 H CA 0.734 56.790 56.048 0.013 0.000 1.466 440 H CB 0.350 30.097 29.762 -0.025 0.000 1.482 440 H HN 0.727 nan 8.280 nan 0.000 0.561 441 G N 3.691 112.179 108.800 -0.519 0.000 2.159 441 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.256 441 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.256 441 G C 0.372 175.104 174.900 -0.280 0.000 0.977 441 G CA 0.515 45.309 45.100 -0.510 0.000 0.652 441 G HN 0.655 nan 8.290 nan 0.000 0.531 442 Y N 0.855 121.164 120.300 0.015 0.000 2.532 442 Y HA 0.275 4.824 4.550 -0.001 0.000 0.283 442 Y C 2.086 178.066 175.900 0.133 0.000 1.181 442 Y CA 0.723 58.928 58.100 0.175 0.000 1.256 442 Y CB 0.560 39.163 38.460 0.239 0.000 1.112 442 Y HN 0.489 nan 8.280 nan 0.000 0.521 443 E N -0.620 119.509 120.200 -0.118 0.000 2.489 443 E HA 0.027 4.376 4.350 -0.001 0.000 0.204 443 E C 1.440 177.914 176.600 -0.210 0.000 1.006 443 E CA 0.383 56.433 56.400 -0.583 0.000 0.936 443 E CB -0.324 28.678 29.700 -1.162 0.000 1.002 443 E HN 0.501 nan 8.360 nan 0.000 0.488 444 I N 2.646 123.183 120.570 -0.055 0.000 2.163 444 I HA -0.274 3.896 4.170 -0.001 0.000 0.240 444 I C 2.637 178.755 176.117 0.003 0.000 1.081 444 I CA 1.976 63.288 61.300 0.019 0.000 1.353 444 I CB -0.379 37.676 38.000 0.093 0.000 1.054 444 I HN 0.194 nan 8.210 nan 0.000 0.407 445 E N 0.971 121.143 120.200 -0.047 0.000 2.209 445 E HA -0.248 4.101 4.350 -0.001 0.000 0.196 445 E C 2.021 178.479 176.600 -0.238 0.000 0.993 445 E CA 1.541 57.851 56.400 -0.151 0.000 0.819 445 E CB -0.505 29.099 29.700 -0.160 0.000 0.745 445 E HN 0.431 nan 8.360 nan 0.000 0.477 446 F N 1.042 120.879 119.950 -0.188 0.000 2.234 446 F HA -0.035 4.492 4.527 -0.001 0.000 0.296 446 F C 2.408 178.044 175.800 -0.273 0.000 1.089 446 F CA 0.625 58.481 58.000 -0.239 0.000 1.343 446 F CB -0.112 38.761 39.000 -0.211 0.000 1.040 446 F HN -0.135 nan 8.300 nan 0.000 0.498 447 V N -0.996 118.842 119.914 -0.125 0.000 2.358 447 V HA -0.279 3.841 4.120 -0.001 0.000 0.246 447 V C 1.681 177.660 176.094 -0.192 0.000 1.047 447 V CA 1.589 63.701 62.300 -0.313 0.000 1.035 447 V CB -0.642 30.988 31.823 -0.321 0.000 0.658 447 V HN 0.191 nan 8.190 nan 0.000 0.452 448 F N 0.681 120.508 119.950 -0.205 0.000 2.773 448 F HA 0.374 4.901 4.527 -0.001 0.000 0.304 448 F C 1.797 177.506 175.800 -0.152 0.000 1.129 448 F CA 0.588 58.492 58.000 -0.159 0.000 1.378 448 F CB -0.444 38.436 39.000 -0.200 0.000 1.095 448 F HN 0.273 nan 8.300 nan 0.000 0.565 449 G N 0.467 109.207 108.800 -0.099 0.000 2.179 449 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.257 449 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.257 449 G C 1.200 175.854 174.900 -0.411 0.000 1.010 449 G CA 0.542 45.523 45.100 -0.198 0.000 0.736 449 G HN 0.467 nan 8.290 nan 0.000 0.513 450 L N -0.484 120.453 121.223 -0.477 0.000 2.131 450 L HA -0.046 4.293 4.340 -0.001 0.000 0.210 450 L C 0.237 176.789 176.870 -0.531 0.000 1.092 450 L CA 1.578 56.089 54.840 -0.550 0.000 0.759 450 L CB -0.977 40.865 42.059 -0.361 0.000 0.903 450 L HN 0.170 nan 8.230 nan 0.000 0.435 451 P HA -0.169 nan 4.420 nan 0.000 0.226 451 P C 1.458 178.574 177.300 -0.305 0.000 1.146 451 P CA 1.014 63.653 63.100 -0.769 0.000 0.773 451 P CB 0.080 31.222 31.700 -0.930 0.000 0.772 452 L N -1.515 119.524 121.223 -0.307 0.000 2.478 452 L HA 0.011 4.351 4.340 -0.001 0.000 0.223 452 L C 0.968 177.755 176.870 -0.140 0.000 1.140 452 L CA 0.652 55.384 54.840 -0.180 0.000 0.842 452 L CB -0.392 41.586 42.059 -0.136 0.000 0.953 452 L HN -0.117 nan 8.230 nan 0.000 0.452 453 V N -2.089 117.710 119.914 -0.193 0.000 2.394 453 V HA 0.216 4.336 4.120 -0.001 0.000 0.282 453 V C 1.141 177.212 176.094 -0.039 0.000 1.031 453 V CA -0.751 61.486 62.300 -0.105 0.000 0.881 453 V CB 1.367 33.099 31.823 -0.152 0.000 0.982 453 V HN 0.342 nan 8.190 nan 0.000 0.451 454 K N 3.323 123.713 120.400 -0.017 0.000 2.000 454 K HA -0.215 4.104 4.320 -0.001 0.000 0.218 454 K C 1.517 178.105 176.600 -0.020 0.000 1.053 454 K CA 2.311 58.593 56.287 -0.007 0.000 0.946 454 K CB -0.327 32.169 32.500 -0.006 0.000 0.723 454 K HN 0.799 nan 8.250 nan 0.000 0.446 455 E N 1.050 121.233 120.200 -0.029 0.000 2.401 455 E HA -0.171 4.179 4.350 -0.001 0.000 0.204 455 E C 1.346 177.900 176.600 -0.077 0.000 1.036 455 E CA 0.958 57.331 56.400 -0.047 0.000 0.856 455 E CB -0.371 29.305 29.700 -0.040 0.000 0.770 455 E HN 0.360 nan 8.360 nan 0.000 0.527 456 L N 0.249 121.423 121.223 -0.082 0.000 2.653 456 L HA 0.144 4.483 4.340 -0.001 0.000 0.231 456 L C -0.235 176.467 176.870 -0.280 0.000 1.153 456 L CA -0.394 54.347 54.840 -0.165 0.000 0.933 456 L CB -0.430 41.569 42.059 -0.099 0.000 1.175 456 L HN 0.013 nan 8.230 nan 0.000 0.473 457 N N -0.032 118.576 118.700 -0.154 0.000 2.699 457 N HA -0.252 4.488 4.740 -0.001 0.000 0.256 457 N C -0.779 174.628 175.510 -0.173 0.000 0.993 457 N CA 1.021 53.987 53.050 -0.140 0.000 0.759 457 N CB -1.626 36.774 38.487 -0.146 0.000 0.906 457 N HN 0.296 nan 8.380 nan 0.000 0.541 458 Y N -0.243 120.025 120.300 -0.053 0.000 2.376 458 Y HA 0.324 4.874 4.550 -0.001 0.000 0.325 458 Y C 1.780 177.679 175.900 -0.001 0.000 1.199 458 Y CA -0.498 57.584 58.100 -0.031 0.000 1.206 458 Y CB 0.843 39.249 38.460 -0.089 0.000 1.229 458 Y HN 0.179 nan 8.280 nan 0.000 0.480 459 T N -1.225 113.469 114.554 0.233 0.000 2.667 459 T HA 0.272 4.622 4.350 -0.001 0.000 0.305 459 T C 1.224 175.989 174.700 0.109 0.000 1.022 459 T CA -0.001 62.184 62.100 0.142 0.000 0.995 459 T CB 0.651 69.607 68.868 0.147 0.000 1.026 459 T HN 0.741 nan 8.240 nan 0.000 0.527 460 A N 0.306 123.168 122.820 0.070 0.000 1.898 460 A HA 0.112 4.431 4.320 -0.001 0.000 0.214 460 A C 2.102 179.707 177.584 0.034 0.000 1.183 460 A CA 1.050 53.112 52.037 0.043 0.000 0.622 460 A CB -0.854 18.165 19.000 0.030 0.000 0.824 460 A HN 0.883 nan 8.150 nan 0.000 0.444 461 E N 0.474 120.697 120.200 0.039 0.000 2.418 461 E HA -0.056 4.294 4.350 -0.001 0.000 0.197 461 E C 1.569 178.174 176.600 0.007 0.000 1.026 461 E CA 0.953 57.361 56.400 0.014 0.000 0.862 461 E CB -0.129 29.575 29.700 0.007 0.000 0.799 461 E HN 0.750 nan 8.360 nan 0.000 0.518 462 E N 0.599 120.836 120.200 0.061 0.000 2.122 462 E HA -0.112 4.238 4.350 -0.001 0.000 0.190 462 E C 1.884 178.519 176.600 0.059 0.000 0.977 462 E CA 0.499 56.974 56.400 0.125 0.000 0.820 462 E CB 0.091 29.949 29.700 0.264 0.000 0.770 462 E HN 0.247 nan 8.360 nan 0.000 0.462 463 E N 0.683 120.880 120.200 -0.005 0.000 2.150 463 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 463 E C 1.932 178.513 176.600 -0.032 0.000 0.985 463 E CA 0.823 57.186 56.400 -0.062 0.000 0.814 463 E CB 0.049 29.724 29.700 -0.041 0.000 0.752 463 E HN 0.184 nan 8.360 nan 0.000 0.466 464 A N 1.343 124.156 122.820 -0.012 0.000 1.877 464 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 464 A C 2.153 179.729 177.584 -0.014 0.000 1.186 464 A CA 1.313 53.339 52.037 -0.019 0.000 0.620 464 A CB -0.676 18.313 19.000 -0.018 0.000 0.822 464 A HN 0.360 nan 8.150 nan 0.000 0.443 465 L N -0.101 121.125 121.223 0.005 0.000 2.131 465 L HA -0.085 4.255 4.340 -0.001 0.000 0.210 465 L C 2.527 179.447 176.870 0.085 0.000 1.092 465 L CA 2.518 57.368 54.840 0.017 0.000 0.759 465 L CB -0.740 41.287 42.059 -0.054 0.000 0.903 465 L HN 0.358 nan 8.230 nan 0.000 0.435 466 S N -0.631 115.149 115.700 0.134 0.000 2.368 466 S HA -0.190 4.279 4.470 -0.001 0.000 0.225 466 S C 2.185 176.779 174.600 -0.009 0.000 1.030 466 S CA 1.330 59.583 58.200 0.087 0.000 0.999 466 S CB -0.195 62.944 63.200 -0.103 0.000 0.844 466 S HN 0.576 nan 8.310 nan 0.000 0.459 467 R N 0.230 120.714 120.500 -0.026 0.000 2.073 467 R HA 0.053 4.392 4.340 -0.001 0.000 0.229 467 R C 2.703 178.980 176.300 -0.038 0.000 1.120 467 R CA 1.333 57.412 56.100 -0.036 0.000 0.967 467 R CB -0.322 29.945 30.300 -0.054 0.000 0.862 467 R HN 0.375 nan 8.270 nan 0.000 0.436 468 R N 0.945 121.412 120.500 -0.055 0.000 2.083 468 R HA -0.144 4.196 4.340 -0.001 0.000 0.237 468 R C 2.111 178.371 176.300 -0.067 0.000 1.137 468 R CA 1.537 57.563 56.100 -0.124 0.000 0.951 468 R CB -0.171 30.085 30.300 -0.075 0.000 0.851 468 R HN 0.085 nan 8.270 nan 0.000 0.434 469 I N 0.744 121.353 120.570 0.065 0.000 2.099 469 I HA -0.313 3.856 4.170 -0.001 0.000 0.239 469 I C 2.441 178.617 176.117 0.099 0.000 1.066 469 I CA 1.670 63.027 61.300 0.095 0.000 1.324 469 I CB -1.029 36.837 38.000 -0.224 0.000 1.037 469 I HN 0.388 nan 8.210 nan 0.000 0.401 470 M N -0.675 118.917 119.600 -0.015 0.000 2.331 470 M HA -0.280 4.200 4.480 -0.001 0.000 0.260 470 M C 2.261 178.665 176.300 0.174 0.000 1.072 470 M CA 1.676 56.991 55.300 0.025 0.000 1.065 470 M CB -0.610 31.984 32.600 -0.010 0.000 1.392 470 M HN 0.317 nan 8.290 nan 0.000 0.427 471 H N -0.921 118.187 119.070 0.063 0.000 2.370 471 H HA -0.067 4.489 4.556 -0.001 0.000 0.304 471 H C 1.493 176.948 175.328 0.212 0.000 1.055 471 H CA 1.602 57.686 56.048 0.060 0.000 1.373 471 H CB -0.088 29.637 29.762 -0.061 0.000 1.423 471 H HN 0.196 nan 8.280 nan 0.000 0.533 472 Y N -0.180 120.313 120.300 0.322 0.000 2.069 472 Y HA -0.335 4.214 4.550 -0.001 0.000 0.278 472 Y C 2.610 178.713 175.900 0.339 0.000 1.175 472 Y CA 1.670 59.991 58.100 0.369 0.000 1.134 472 Y CB -1.057 37.816 38.460 0.689 0.000 0.965 472 Y HN 0.396 nan 8.280 nan 0.000 0.498 473 W N -0.804 120.633 121.300 0.229 0.000 2.338 473 W HA -0.235 4.424 4.660 -0.001 0.000 0.304 473 W C 2.501 179.031 176.519 0.018 0.000 1.212 473 W CA 1.263 58.662 57.345 0.090 0.000 1.264 473 W CB -0.395 29.073 29.460 0.013 0.000 1.142 473 W HN 0.102 nan 8.180 nan 0.000 0.512 474 A N -0.471 122.465 122.820 0.193 0.000 1.935 474 A HA -0.092 4.228 4.320 -0.001 0.000 0.214 474 A C 1.826 179.380 177.584 -0.050 0.000 1.178 474 A CA 1.802 53.855 52.037 0.028 0.000 0.640 474 A CB -1.100 17.907 19.000 0.010 0.000 0.825 474 A HN 0.129 nan 8.150 nan 0.000 0.447 475 T N -0.359 114.118 114.554 -0.127 0.000 2.708 475 T HA -0.148 4.201 4.350 -0.001 0.000 0.266 475 T C 1.605 176.250 174.700 -0.092 0.000 1.037 475 T CA 1.703 63.696 62.100 -0.179 0.000 1.146 475 T CB -0.434 68.264 68.868 -0.284 0.000 0.865 475 T HN 0.486 nan 8.240 nan 0.000 0.435 476 F N 2.535 122.381 119.950 -0.174 0.000 2.065 476 F HA -0.113 4.413 4.527 -0.001 0.000 0.298 476 F C 2.475 178.180 175.800 -0.159 0.000 1.112 476 F CA 1.210 59.072 58.000 -0.230 0.000 1.212 476 F CB -0.938 37.860 39.000 -0.337 0.000 0.975 476 F HN 0.153 nan 8.300 nan 0.000 0.476 477 A N 0.438 123.131 122.820 -0.211 0.000 2.054 477 A HA -0.279 4.041 4.320 -0.001 0.000 0.223 477 A C 1.804 179.232 177.584 -0.259 0.000 1.169 477 A CA 2.298 54.189 52.037 -0.243 0.000 0.655 477 A CB -0.936 18.011 19.000 -0.090 0.000 0.812 477 A HN 0.698 nan 8.150 nan 0.000 0.462 478 K N -2.864 117.403 120.400 -0.222 0.000 2.506 478 K HA 0.393 4.713 4.320 -0.001 0.000 0.204 478 K C 0.350 176.849 176.600 -0.168 0.000 1.045 478 K CA 0.534 56.724 56.287 -0.162 0.000 1.074 478 K CB 0.620 33.062 32.500 -0.097 0.000 0.842 478 K HN 0.093 nan 8.250 nan 0.000 0.514 479 T N -0.767 113.640 114.554 -0.245 0.000 3.336 479 T HA 0.207 4.557 4.350 -0.001 0.000 0.273 479 T C 0.998 175.556 174.700 -0.237 0.000 0.932 479 T CA 0.299 62.288 62.100 -0.185 0.000 0.995 479 T CB 0.910 69.695 68.868 -0.139 0.000 1.213 479 T HN 0.372 nan 8.240 nan 0.000 0.502 480 G N 2.425 110.947 108.800 -0.463 0.000 2.131 480 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.223 480 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.223 480 G C -0.203 174.645 174.900 -0.086 0.000 0.990 480 G CA 0.092 44.908 45.100 -0.472 0.000 0.671 480 G HN 0.623 nan 8.290 nan 0.000 0.521 481 N N -0.531 118.084 118.700 -0.141 0.000 2.452 481 N HA 0.436 5.176 4.740 -0.001 0.000 0.277 481 N C -2.307 173.081 175.510 -0.203 0.000 1.078 481 N CA -1.251 51.675 53.050 -0.207 0.000 0.947 481 N CB 2.182 40.635 38.487 -0.056 0.000 1.655 481 N HN -0.132 nan 8.380 nan 0.000 0.490 482 P HA 0.030 nan 4.420 nan 0.000 0.218 482 P C -0.243 177.138 177.300 0.136 0.000 1.152 482 P CA 0.721 63.764 63.100 -0.095 0.000 0.826 482 P CB 0.177 31.675 31.700 -0.337 0.000 0.790 483 N N 1.625 120.379 118.700 0.090 0.000 2.454 483 N HA -0.011 4.729 4.740 -0.001 0.000 0.254 483 N C 0.333 175.916 175.510 0.122 0.000 1.228 483 N CA 0.469 53.628 53.050 0.182 0.000 0.900 483 N CB 0.292 38.880 38.487 0.168 0.000 1.089 483 N HN 0.129 nan 8.380 nan 0.000 0.449 484 E N 2.403 122.696 120.200 0.156 0.000 2.324 484 E HA 0.058 4.408 4.350 -0.001 0.000 0.271 484 E C -1.271 175.400 176.600 0.119 0.000 1.028 484 E CA -1.534 54.949 56.400 0.138 0.000 0.890 484 E CB 0.688 30.491 29.700 0.173 0.000 1.004 484 E HN 0.322 nan 8.360 nan 0.000 0.431 485 P HA -0.226 nan 4.420 nan 0.000 0.225 485 P C 0.815 178.181 177.300 0.110 0.000 1.154 485 P CA 1.661 64.814 63.100 0.087 0.000 0.885 485 P CB 0.227 31.980 31.700 0.087 0.000 0.785 486 H N -3.204 115.901 119.070 0.058 0.000 3.580 486 H HA 0.183 4.739 4.556 -0.001 0.000 0.245 486 H C 0.289 175.652 175.328 0.058 0.000 1.015 486 H CA 0.307 56.387 56.048 0.054 0.000 1.113 486 H CB 0.143 29.930 29.762 0.041 0.000 1.469 486 H HN -0.099 nan 8.280 nan 0.000 0.554 487 S N 1.854 117.695 115.700 0.235 0.000 3.255 487 S HA -0.171 4.299 4.470 -0.001 0.000 0.393 487 S C 0.831 175.532 174.600 0.168 0.000 1.170 487 S CA 0.249 58.549 58.200 0.167 0.000 0.926 487 S CB 0.280 63.561 63.200 0.134 0.000 0.627 487 S HN 0.383 nan 8.310 nan 0.000 0.465 488 Q N 2.336 122.213 119.800 0.128 0.000 2.292 488 Q HA 0.199 4.538 4.340 -0.001 0.000 0.247 488 Q C 0.065 176.118 176.000 0.088 0.000 0.911 488 Q CA 0.295 56.164 55.803 0.109 0.000 0.948 488 Q CB -0.230 28.554 28.738 0.077 0.000 1.093 488 Q HN 0.583 nan 8.270 nan 0.000 0.428 489 E N -0.031 120.230 120.200 0.101 0.000 2.259 489 E HA 0.399 4.749 4.350 -0.001 0.000 0.257 489 E C -0.198 176.469 176.600 0.113 0.000 0.998 489 E CA -0.865 55.594 56.400 0.099 0.000 0.866 489 E CB 0.736 30.503 29.700 0.113 0.000 1.220 489 E HN -0.099 nan 8.360 nan 0.000 0.415 490 S N 1.010 116.779 115.700 0.114 0.000 2.580 490 S HA 0.228 4.697 4.470 -0.001 0.000 0.274 490 S C 0.187 174.888 174.600 0.168 0.000 1.329 490 S CA -0.600 57.667 58.200 0.112 0.000 1.036 490 S CB 0.502 63.752 63.200 0.083 0.000 0.919 490 S HN 0.144 nan 8.310 nan 0.000 0.515 491 K N 1.492 121.991 120.400 0.165 0.000 2.143 491 K HA 0.156 4.475 4.320 -0.001 0.000 0.272 491 K C -0.496 176.286 176.600 0.304 0.000 1.001 491 K CA -0.500 55.926 56.287 0.231 0.000 0.915 491 K CB 0.637 33.249 32.500 0.186 0.000 1.047 491 K HN 0.724 nan 8.250 nan 0.000 0.458 492 W N 7.239 128.631 121.300 0.153 0.000 2.497 492 W HA 0.149 4.809 4.660 -0.001 0.000 0.354 492 W C -2.193 174.464 176.519 0.230 0.000 1.111 492 W CA -2.643 54.786 57.345 0.139 0.000 1.510 492 W CB -0.491 28.994 29.460 0.041 0.000 1.466 492 W HN 0.366 nan 8.180 nan 0.000 0.409 493 P HA -0.032 nan 4.420 nan 0.000 0.268 493 P C -0.148 177.367 177.300 0.358 0.000 1.208 493 P CA 0.109 63.424 63.100 0.358 0.000 0.777 493 P CB 1.502 33.333 31.700 0.217 0.000 0.875 494 L N 2.239 123.551 121.223 0.149 0.000 2.417 494 L HA 0.229 4.568 4.340 -0.001 0.000 0.268 494 L C 0.804 177.702 176.870 0.045 0.000 1.158 494 L CA -0.635 54.145 54.840 -0.099 0.000 0.819 494 L CB -0.019 41.943 42.059 -0.161 0.000 1.112 494 L HN 0.321 nan 8.230 nan 0.000 0.458 495 F N 2.364 122.251 119.950 -0.105 0.000 2.424 495 F HA 0.338 4.864 4.527 -0.001 0.000 0.356 495 F C 0.404 176.188 175.800 -0.027 0.000 1.110 495 F CA -0.514 57.490 58.000 0.007 0.000 1.161 495 F CB 0.816 39.839 39.000 0.039 0.000 1.115 495 F HN 0.453 nan 8.300 nan 0.000 0.507 496 T N 0.657 114.991 114.554 -0.367 0.000 2.912 496 T HA 0.284 4.634 4.350 -0.001 0.000 0.288 496 T C 0.839 175.313 174.700 -0.376 0.000 1.030 496 T CA -0.155 61.806 62.100 -0.232 0.000 1.020 496 T CB 1.432 70.207 68.868 -0.154 0.000 1.056 496 T HN 0.589 nan 8.240 nan 0.000 0.480 497 T N -0.312 114.149 114.554 -0.155 0.000 3.113 497 T HA 0.038 4.388 4.350 -0.001 0.000 0.263 497 T C 1.231 175.854 174.700 -0.128 0.000 1.143 497 T CA 0.445 62.479 62.100 -0.111 0.000 1.090 497 T CB -0.352 68.495 68.868 -0.036 0.000 0.922 497 T HN 0.715 nan 8.240 nan 0.000 0.521 498 K N 1.897 122.211 120.400 -0.143 0.000 2.035 498 K HA 0.062 4.381 4.320 -0.001 0.000 0.213 498 K C 2.398 178.924 176.600 -0.123 0.000 1.027 498 K CA 1.088 57.312 56.287 -0.105 0.000 0.950 498 K CB -0.062 32.386 32.500 -0.086 0.000 0.790 498 K HN 0.398 nan 8.250 nan 0.000 0.448 499 E N 1.664 121.778 120.200 -0.144 0.000 2.122 499 E HA -0.111 4.238 4.350 -0.001 0.000 0.190 499 E C -0.362 176.119 176.600 -0.198 0.000 0.977 499 E CA 0.197 56.521 56.400 -0.127 0.000 0.820 499 E CB -0.210 29.435 29.700 -0.091 0.000 0.770 499 E HN 0.315 nan 8.360 nan 0.000 0.462 500 Q N 1.384 120.928 119.800 -0.426 0.000 2.443 500 Q HA -0.206 4.134 4.340 -0.001 0.000 0.362 500 Q C -1.093 174.774 176.000 -0.221 0.000 1.423 500 Q CA 0.600 55.898 55.803 -0.843 0.000 1.037 500 Q CB -1.744 26.417 28.738 -0.962 0.000 1.208 500 Q HN 0.217 nan 8.270 nan 0.000 0.334 501 K N 1.562 121.927 120.400 -0.057 0.000 2.087 501 K HA 0.781 5.100 4.320 -0.001 0.000 0.255 501 K C 0.058 176.935 176.600 0.462 0.000 0.988 501 K CA -0.158 56.219 56.287 0.150 0.000 0.915 501 K CB 0.638 33.174 32.500 0.059 0.000 1.043 501 K HN 0.413 nan 8.250 nan 0.000 0.457 502 F N -0.788 119.321 119.950 0.265 0.000 2.789 502 F HA 0.652 5.178 4.527 -0.001 0.000 0.319 502 F C -1.028 174.873 175.800 0.168 0.000 1.168 502 F CA -1.495 56.700 58.000 0.325 0.000 0.934 502 F CB 0.692 39.896 39.000 0.340 0.000 1.375 502 F HN 0.454 nan 8.300 nan 0.000 0.480 503 I N -1.256 119.424 120.570 0.183 0.000 3.042 503 I HA 0.655 4.825 4.170 -0.001 0.000 0.310 503 I C -1.554 174.670 176.117 0.177 0.000 1.117 503 I CA -0.924 60.310 61.300 -0.110 0.000 1.003 503 I CB 2.282 40.030 38.000 -0.420 0.000 1.228 503 I HN 0.396 nan 8.210 nan 0.000 0.443 504 D N 3.372 123.833 120.400 0.101 0.000 2.249 504 D HA 0.498 5.138 4.640 -0.001 0.000 0.246 504 D C -0.893 175.465 176.300 0.096 0.000 1.114 504 D CA 0.140 54.295 54.000 0.259 0.000 0.854 504 D CB 1.818 42.780 40.800 0.269 0.000 1.132 504 D HN 0.275 nan 8.370 nan 0.000 0.461 505 L N 3.983 125.279 121.223 0.122 0.000 2.276 505 L HA 0.372 4.711 4.340 -0.001 0.000 0.286 505 L C -0.252 176.554 176.870 -0.107 0.000 1.024 505 L CA -0.335 54.537 54.840 0.052 0.000 0.826 505 L CB 0.219 42.403 42.059 0.207 0.000 1.211 505 L HN 0.492 nan 8.230 nan 0.000 0.422 506 N N -0.907 117.725 118.700 -0.113 0.000 3.355 506 N HA 0.120 4.860 4.740 -0.001 0.000 0.238 506 N C 0.454 175.852 175.510 -0.186 0.000 1.466 506 N CA -0.164 52.761 53.050 -0.208 0.000 0.882 506 N CB 0.224 38.643 38.487 -0.114 0.000 1.406 506 N HN 0.143 nan 8.380 nan 0.000 0.500 507 T N -2.964 111.421 114.554 -0.283 0.000 2.897 507 T HA -0.141 4.209 4.350 -0.001 0.000 0.271 507 T C 0.473 175.132 174.700 -0.069 0.000 1.084 507 T CA 1.482 63.461 62.100 -0.203 0.000 1.123 507 T CB -0.775 67.970 68.868 -0.205 0.000 0.865 507 T HN 0.727 nan 8.240 nan 0.000 0.496 508 E N 1.455 121.638 120.200 -0.029 0.000 2.239 508 E HA 0.431 4.780 4.350 -0.001 0.000 0.261 508 E C -3.043 173.560 176.600 0.005 0.000 1.016 508 E CA -3.101 53.299 56.400 0.000 0.000 0.882 508 E CB 0.286 29.998 29.700 0.021 0.000 1.190 508 E HN -0.011 nan 8.360 nan 0.000 0.415 509 P HA -0.122 nan 4.420 nan 0.000 0.256 509 P C -0.037 177.268 177.300 0.008 0.000 1.173 509 P CA 0.526 63.634 63.100 0.014 0.000 0.768 509 P CB 0.169 31.878 31.700 0.015 0.000 0.758 510 M N 4.212 123.818 119.600 0.009 0.000 2.226 510 M HA -0.086 4.393 4.480 -0.001 0.000 0.352 510 M C -0.603 175.656 176.300 -0.068 0.000 1.226 510 M CA 1.257 56.543 55.300 -0.023 0.000 0.943 510 M CB 0.079 32.676 32.600 -0.005 0.000 1.805 510 M HN 0.265 nan 8.290 nan 0.000 0.465 511 K N 4.314 124.624 120.400 -0.150 0.000 2.426 511 K HA 0.664 4.983 4.320 -0.001 0.000 0.251 511 K C -1.133 175.166 176.600 -0.502 0.000 0.941 511 K CA -1.050 55.074 56.287 -0.272 0.000 0.808 511 K CB 2.457 34.791 32.500 -0.276 0.000 1.265 511 K HN 0.632 nan 8.250 nan 0.000 0.432 512 V N -0.607 119.001 119.914 -0.509 0.000 2.581 512 V HA 0.587 4.707 4.120 -0.001 0.000 0.303 512 V C -0.641 175.005 176.094 -0.747 0.000 1.041 512 V CA -0.246 61.725 62.300 -0.550 0.000 0.907 512 V CB 1.353 33.031 31.823 -0.241 0.000 0.994 512 V HN 0.745 nan 8.190 nan 0.000 0.442 513 H N 2.569 121.257 119.070 -0.636 0.000 2.927 513 H HA 0.651 5.206 4.556 -0.001 0.000 0.316 513 H C -1.125 173.951 175.328 -0.419 0.000 1.403 513 H CA -0.723 54.983 56.048 -0.570 0.000 1.288 513 H CB 2.080 31.423 29.762 -0.699 0.000 1.944 513 H HN 0.758 nan 8.280 nan 0.000 0.629 514 Q N 0.094 119.960 119.800 0.111 0.000 2.423 514 Q HA 0.347 4.686 4.340 -0.001 0.000 0.278 514 Q C -0.612 175.621 176.000 0.388 0.000 1.097 514 Q CA -0.908 55.043 55.803 0.247 0.000 0.809 514 Q CB 2.667 31.466 28.738 0.102 0.000 1.391 514 Q HN 0.460 nan 8.270 nan 0.000 0.428 515 R N 0.883 121.571 120.500 0.314 0.000 3.092 515 R HA -0.225 4.115 4.340 -0.001 0.000 0.245 515 R C -0.485 175.921 176.300 0.176 0.000 0.881 515 R CA -0.077 56.154 56.100 0.217 0.000 0.614 515 R CB -1.718 28.660 30.300 0.131 0.000 1.128 515 R HN 0.432 nan 8.270 nan 0.000 0.483 516 L N 2.679 123.938 121.223 0.060 0.000 2.700 516 L HA -0.078 4.262 4.340 -0.001 0.000 0.276 516 L C 0.603 177.420 176.870 -0.087 0.000 1.200 516 L CA 0.709 55.392 54.840 -0.262 0.000 0.951 516 L CB 0.098 41.670 42.059 -0.812 0.000 1.226 516 L HN 0.379 nan 8.230 nan 0.000 0.489 517 R N 2.567 123.039 120.500 -0.046 0.000 3.322 517 R HA -0.206 4.133 4.340 -0.001 0.000 0.253 517 R C 1.056 177.413 176.300 0.095 0.000 0.987 517 R CA 0.868 56.992 56.100 0.040 0.000 0.666 517 R CB -2.561 27.782 30.300 0.072 0.000 1.072 517 R HN 0.667 nan 8.270 nan 0.000 0.447 518 V N 0.538 120.504 119.914 0.087 0.000 2.358 518 V HA -0.311 3.808 4.120 -0.001 0.000 0.246 518 V C 2.036 178.201 176.094 0.118 0.000 1.047 518 V CA 2.434 64.799 62.300 0.109 0.000 1.035 518 V CB 0.156 32.036 31.823 0.096 0.000 0.658 518 V HN 0.492 nan 8.190 nan 0.000 0.452 519 Q N -0.241 119.612 119.800 0.088 0.000 2.050 519 Q HA -0.131 4.209 4.340 -0.001 0.000 0.202 519 Q C 2.079 178.142 176.000 0.106 0.000 0.980 519 Q CA 1.889 57.733 55.803 0.069 0.000 0.840 519 Q CB -0.792 27.957 28.738 0.018 0.000 0.898 519 Q HN 0.459 nan 8.270 nan 0.000 0.424 520 M N -0.291 119.387 119.600 0.131 0.000 2.229 520 M HA -0.085 4.394 4.480 -0.001 0.000 0.264 520 M C 1.967 178.539 176.300 0.453 0.000 1.063 520 M CA 0.916 56.356 55.300 0.233 0.000 1.114 520 M CB -0.868 31.900 32.600 0.281 0.000 1.387 520 M HN 0.329 nan 8.290 nan 0.000 0.420 521 c N 0.004 118.826 118.600 0.370 0.000 2.468 521 c HA -0.012 4.557 4.570 -0.001 0.000 0.277 521 c C 2.867 177.155 174.090 0.331 0.000 1.400 521 c CA 0.625 57.197 56.329 0.406 0.000 1.770 521 c CB -1.001 41.676 42.510 0.278 0.000 1.905 521 c HN 0.541 nan 8.230 nan 0.000 0.519 522 V N -0.789 119.277 119.914 0.253 0.000 2.515 522 V HA -0.162 3.957 4.120 -0.001 0.000 0.250 522 V C 2.063 178.291 176.094 0.223 0.000 1.058 522 V CA 1.966 64.391 62.300 0.208 0.000 1.064 522 V CB -1.220 30.698 31.823 0.159 0.000 0.675 522 V HN 0.430 nan 8.190 nan 0.000 0.461 523 F N 0.830 120.835 119.950 0.092 0.000 2.075 523 F HA -0.040 4.487 4.527 -0.001 0.000 0.297 523 F C 1.920 177.727 175.800 0.012 0.000 1.113 523 F CA 1.760 59.767 58.000 0.012 0.000 1.218 523 F CB -0.508 38.373 39.000 -0.198 0.000 0.984 523 F HN 0.222 nan 8.300 nan 0.000 0.472 524 W N 0.666 122.030 121.300 0.108 0.000 2.408 524 W HA -0.137 4.523 4.660 -0.001 0.000 0.311 524 W C 2.268 178.763 176.519 -0.039 0.000 1.190 524 W CA 1.010 58.356 57.345 0.002 0.000 1.321 524 W CB -0.735 28.846 29.460 0.202 0.000 1.143 524 W HN -0.083 nan 8.180 nan 0.000 0.501 525 N N -0.292 118.565 118.700 0.261 0.000 2.459 525 N HA -0.082 4.658 4.740 -0.001 0.000 0.181 525 N C 1.232 176.783 175.510 0.067 0.000 1.046 525 N CA 1.224 54.352 53.050 0.131 0.000 0.904 525 N CB -0.097 38.505 38.487 0.192 0.000 0.964 525 N HN 0.463 nan 8.380 nan 0.000 0.444 526 Q N -1.753 118.085 119.800 0.063 0.000 2.462 526 Q HA 0.178 4.517 4.340 -0.001 0.000 0.194 526 Q C 1.199 177.187 176.000 -0.020 0.000 0.694 526 Q CA -0.380 55.448 55.803 0.041 0.000 0.873 526 Q CB -0.140 28.658 28.738 0.100 0.000 1.261 526 Q HN 0.089 nan 8.270 nan 0.000 0.531 527 F N 2.796 122.674 119.950 -0.121 0.000 2.026 527 F HA -0.222 4.305 4.527 -0.001 0.000 0.296 527 F C 2.085 177.717 175.800 -0.281 0.000 1.133 527 F CA 1.347 59.251 58.000 -0.161 0.000 1.188 527 F CB -0.347 38.595 39.000 -0.096 0.000 0.968 527 F HN 0.045 nan 8.300 nan 0.000 0.476 528 L N 0.795 121.626 121.223 -0.653 0.000 1.997 528 L HA -0.213 4.126 4.340 -0.001 0.000 0.216 528 L C -0.402 176.212 176.870 -0.426 0.000 1.074 528 L CA 2.686 57.111 54.840 -0.690 0.000 0.763 528 L CB -2.297 39.246 42.059 -0.860 0.000 0.890 528 L HN 0.116 nan 8.230 nan 0.000 0.434 529 P HA -0.224 nan 4.420 nan 0.000 0.215 529 P C 1.504 178.688 177.300 -0.194 0.000 1.157 529 P CA 1.736 64.740 63.100 -0.160 0.000 0.874 529 P CB -0.095 31.542 31.700 -0.104 0.000 0.790 530 K N -0.648 119.598 120.400 -0.257 0.000 2.211 530 K HA -0.132 4.188 4.320 -0.001 0.000 0.203 530 K C 1.849 178.271 176.600 -0.296 0.000 1.050 530 K CA 0.850 56.994 56.287 -0.238 0.000 0.945 530 K CB -0.523 31.844 32.500 -0.221 0.000 0.732 530 K HN -0.012 nan 8.250 nan 0.000 0.451 531 L N 0.793 121.738 121.223 -0.464 0.000 2.095 531 L HA 0.002 4.341 4.340 -0.001 0.000 0.204 531 L C 1.644 178.385 176.870 -0.216 0.000 1.080 531 L CA 1.476 56.072 54.840 -0.407 0.000 0.759 531 L CB -0.405 41.283 42.059 -0.618 0.000 0.914 531 L HN 0.147 nan 8.230 nan 0.000 0.439 532 L N 0.213 121.324 121.223 -0.187 0.000 2.275 532 L HA -0.123 4.217 4.340 -0.001 0.000 0.215 532 L C 2.440 179.267 176.870 -0.071 0.000 1.119 532 L CA 0.885 55.667 54.840 -0.097 0.000 0.790 532 L CB -0.753 41.273 42.059 -0.056 0.000 0.919 532 L HN 0.479 nan 8.230 nan 0.000 0.443 533 N N 0.584 119.229 118.700 -0.091 0.000 2.135 533 N HA -0.116 4.623 4.740 -0.001 0.000 0.186 533 N C 1.794 177.269 175.510 -0.058 0.000 1.027 533 N CA 1.471 54.481 53.050 -0.067 0.000 0.849 533 N CB 0.189 38.631 38.487 -0.075 0.000 1.002 533 N HN 0.287 nan 8.380 nan 0.000 0.425 534 A N -0.004 122.772 122.820 -0.074 0.000 2.067 534 A HA 0.129 4.448 4.320 -0.001 0.000 0.217 534 A C 0.661 178.219 177.584 -0.043 0.000 1.156 534 A CA 1.151 53.155 52.037 -0.055 0.000 0.683 534 A CB -0.265 18.698 19.000 -0.062 0.000 0.808 534 A HN 0.383 nan 8.150 nan 0.000 0.455 535 T N 0.000 114.523 114.554 -0.052 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.078 62.100 -0.037 0.000 1.349 535 T CB 0.000 68.855 68.868 -0.021 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658