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 1np0_1_A DATA FIRST_RESID 55 DATA SEQUENCE ALWPLPLSVK MTPNLLHLAP ENFYISHSPN STAGPScTLL EEAFRRYHGY DATA SEQUENCE IFGXXXXXXX XXXXXXXTQV QQLLVSITLQ SEcDAFPNIS SDESYTLLVK DATA SEQUENCE EPVAVLKANR VWGALRGLET FSQLVYQDSY GTFTINESTI IDSPRFSHRG DATA SEQUENCE ILIDTSRHYL PVKIILKTLD AMAFNKFNVL HWHIVDDQSF PYQSITFPEL DATA SEQUENCE SNKGSYSLSH VYTPNDVRMV IEYARLRGIR VLPEFDTPGH TLSWGKGQKD DATA SEQUENCE LLTPcYSXXX XLDSFGPINP TLNTTYSFLT TFFKEISEVF PDQFIHLGGD DATA SEQUENCE EVEFKcWESN PKIQDFMRQK GFGTDFKKLE SFYIQKVLDI IATINKGSIV DATA SEQUENCE WQEVFDDKAK LAPGTIVEVW KDSAYPEELS RVTASGFPVI LSAPWYLDLI DATA SEQUENCE SYGQDWRKYY KVEPLDFGGT QKQKQLFIGG EACLWGEYVD ATNLTPRLWP DATA SEQUENCE RASAVGERLW SSKDVRDMDD AYDRLTRHRc RMVERGIAAQ PLYAGYcN 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 55 A HA 0.000 nan 4.320 nan 0.000 0.244 55 A C 0.000 177.588 177.584 0.007 0.000 1.274 55 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 55 A CB 0.000 18.965 19.000 -0.058 0.000 0.831 56 L N 1.095 122.323 121.223 0.008 0.000 2.292 56 L HA 0.611 4.951 4.340 -0.000 0.000 0.284 56 L C -0.196 176.679 176.870 0.008 0.000 1.065 56 L CA -0.349 54.486 54.840 -0.009 0.000 0.806 56 L CB 1.137 43.176 42.059 -0.033 0.000 1.175 56 L HN 0.639 nan 8.230 nan 0.000 0.431 57 W N 5.817 126.944 121.300 -0.288 0.000 3.216 57 W HA 0.335 4.994 4.660 -0.001 0.000 0.335 57 W C -2.879 173.377 176.519 -0.438 0.000 1.077 57 W CA -1.728 55.360 57.345 -0.429 0.000 1.252 57 W CB 2.295 31.250 29.460 -0.842 0.000 1.312 57 W HN 0.241 nan 8.180 nan 0.000 0.446 58 P HA 0.014 nan 4.420 nan 0.000 0.270 58 P C -0.250 176.775 177.300 -0.459 0.000 1.223 58 P CA -0.269 62.367 63.100 -0.772 0.000 0.785 58 P CB 0.756 32.147 31.700 -0.515 0.000 0.923 59 L N 5.011 125.998 121.223 -0.393 0.000 2.477 59 L HA 0.220 4.560 4.340 -0.000 0.000 0.272 59 L C -2.232 174.622 176.870 -0.027 0.000 1.157 59 L CA -1.450 53.290 54.840 -0.165 0.000 0.889 59 L CB -0.557 41.428 42.059 -0.124 0.000 1.158 59 L HN 0.292 nan 8.230 nan 0.000 0.473 60 P HA -0.036 nan 4.420 nan 0.000 0.270 60 P C 0.555 177.907 177.300 0.087 0.000 1.223 60 P CA -0.351 62.817 63.100 0.114 0.000 0.785 60 P CB 0.540 32.286 31.700 0.078 0.000 0.923 61 L N 1.860 123.139 121.223 0.094 0.000 2.013 61 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 61 L C 0.641 177.505 176.870 -0.009 0.000 1.073 61 L CA 2.190 57.035 54.840 0.009 0.000 0.753 61 L CB -0.638 41.394 42.059 -0.045 0.000 0.890 61 L HN 0.372 nan 8.230 nan 0.000 0.432 62 S N -1.094 114.598 115.700 -0.012 0.000 2.672 62 S HA 0.648 5.118 4.470 -0.000 0.000 0.291 62 S C -1.238 173.362 174.600 0.000 0.000 1.145 62 S CA -0.706 57.487 58.200 -0.012 0.000 1.013 62 S CB 1.172 64.358 63.200 -0.024 0.000 1.017 62 S HN -0.006 nan 8.310 nan 0.000 0.487 63 V N 5.567 125.485 119.914 0.007 0.000 2.483 63 V HA 0.581 4.701 4.120 -0.000 0.000 0.297 63 V C -0.643 175.459 176.094 0.013 0.000 1.027 63 V CA -0.698 61.611 62.300 0.016 0.000 0.855 63 V CB 1.737 33.569 31.823 0.015 0.000 0.995 63 V HN 0.847 nan 8.190 nan 0.000 0.424 64 K N 5.980 126.391 120.400 0.018 0.000 2.545 64 K HA 0.740 5.060 4.320 -0.000 0.000 0.252 64 K C -1.062 175.551 176.600 0.021 0.000 0.948 64 K CA -0.527 55.769 56.287 0.016 0.000 0.827 64 K CB 2.121 34.630 32.500 0.014 0.000 1.128 64 K HN 0.567 nan 8.250 nan 0.000 0.429 65 M N 1.323 120.934 119.600 0.019 0.000 2.662 65 M HA 0.397 4.876 4.480 -0.000 0.000 0.310 65 M C 0.250 176.561 176.300 0.018 0.000 1.204 65 M CA -0.913 54.400 55.300 0.021 0.000 0.891 65 M CB 2.057 34.669 32.600 0.020 0.000 1.732 65 M HN 0.666 nan 8.290 nan 0.000 0.467 66 T N -2.574 111.992 114.554 0.020 0.000 2.949 66 T HA 0.587 4.937 4.350 -0.000 0.000 0.287 66 T C -2.420 172.291 174.700 0.018 0.000 1.034 66 T CA -1.630 60.480 62.100 0.016 0.000 1.018 66 T CB 1.688 70.564 68.868 0.014 0.000 1.135 66 T HN 0.386 nan 8.240 nan 0.000 0.532 67 P HA 0.169 nan 4.420 nan 0.000 0.245 67 P C -0.055 177.255 177.300 0.016 0.000 1.212 67 P CA 0.013 63.124 63.100 0.019 0.000 0.774 67 P CB -0.226 31.483 31.700 0.016 0.000 0.999 68 N N 0.520 119.224 118.700 0.007 0.000 2.416 68 N HA 0.107 4.847 4.740 -0.000 0.000 0.265 68 N C -0.433 175.062 175.510 -0.024 0.000 1.195 68 N CA 0.180 53.224 53.050 -0.009 0.000 0.943 68 N CB -0.142 38.339 38.487 -0.010 0.000 1.115 68 N HN -0.018 nan 8.380 nan 0.000 0.481 69 L N 3.855 125.048 121.223 -0.051 0.000 2.350 69 L HA 0.439 4.778 4.340 -0.000 0.000 0.275 69 L C -0.148 176.568 176.870 -0.256 0.000 1.099 69 L CA -0.604 54.170 54.840 -0.109 0.000 0.808 69 L CB 0.661 42.672 42.059 -0.079 0.000 1.149 69 L HN 0.306 nan 8.230 nan 0.000 0.442 70 L N 2.172 123.229 121.223 -0.277 0.000 2.354 70 L HA 0.582 4.922 4.340 -0.000 0.000 0.264 70 L C -0.709 175.958 176.870 -0.339 0.000 1.008 70 L CA -0.995 53.660 54.840 -0.310 0.000 0.819 70 L CB 2.022 44.016 42.059 -0.109 0.000 1.339 70 L HN 0.488 nan 8.230 nan 0.000 0.420 71 H N 1.611 120.670 119.070 -0.018 0.000 2.616 71 H HA 0.741 5.296 4.556 -0.001 0.000 0.353 71 H C -1.020 174.311 175.328 0.005 0.000 1.170 71 H CA -0.724 55.314 56.048 -0.016 0.000 1.212 71 H CB 2.197 31.959 29.762 0.001 0.000 1.653 71 H HN 0.227 nan 8.280 nan 0.000 0.537 72 L N 0.627 121.949 121.223 0.165 0.000 2.381 72 L HA 0.613 4.953 4.340 -0.000 0.000 0.268 72 L C -0.062 176.870 176.870 0.103 0.000 0.997 72 L CA -0.789 54.096 54.840 0.075 0.000 0.818 72 L CB 1.957 43.945 42.059 -0.119 0.000 1.310 72 L HN 0.693 nan 8.230 nan 0.000 0.416 73 A N 3.128 125.962 122.820 0.024 0.000 2.267 73 A HA 0.730 5.050 4.320 -0.000 0.000 0.315 73 A C -2.003 175.394 177.584 -0.312 0.000 1.297 73 A CA -1.403 50.595 52.037 -0.066 0.000 0.865 73 A CB 0.620 19.602 19.000 -0.031 0.000 1.165 73 A HN 0.586 nan 8.150 nan 0.000 0.513 74 P HA -0.214 nan 4.420 nan 0.000 0.216 74 P C 0.800 177.804 177.300 -0.494 0.000 1.157 74 P CA 1.473 63.828 63.100 -1.242 0.000 0.880 74 P CB 0.304 31.453 31.700 -0.917 0.000 0.791 75 E N -1.915 118.130 120.200 -0.258 0.000 2.445 75 E HA 0.016 4.365 4.350 -0.000 0.000 0.189 75 E C 0.382 176.910 176.600 -0.120 0.000 1.069 75 E CA 0.150 56.470 56.400 -0.133 0.000 0.871 75 E CB -0.430 29.223 29.700 -0.079 0.000 0.991 75 E HN 0.142 nan 8.360 nan 0.000 0.481 76 N N 0.258 118.842 118.700 -0.193 0.000 2.598 76 N HA 0.047 4.786 4.740 -0.000 0.000 0.295 76 N C -1.752 173.502 175.510 -0.426 0.000 1.729 76 N CA -0.267 52.607 53.050 -0.293 0.000 0.877 76 N CB 0.110 38.522 38.487 -0.125 0.000 1.405 76 N HN -0.041 nan 8.380 nan 0.000 0.491 77 F N 1.530 121.107 119.950 -0.621 0.000 2.562 77 F HA 0.496 5.023 4.527 -0.000 0.000 0.319 77 F C -1.851 173.750 175.800 -0.333 0.000 1.154 77 F CA -0.641 57.092 58.000 -0.445 0.000 0.931 77 F CB 0.748 39.679 39.000 -0.116 0.000 1.198 77 F HN -0.074 nan 8.300 nan 0.000 0.444 78 Y N 5.768 125.664 120.300 -0.673 0.000 2.485 78 Y HA 0.685 5.235 4.550 -0.000 0.000 0.345 78 Y C -0.487 174.944 175.900 -0.782 0.000 0.998 78 Y CA -1.626 56.185 58.100 -0.481 0.000 1.059 78 Y CB 1.519 39.803 38.460 -0.293 0.000 1.234 78 Y HN 0.361 nan 8.280 nan 0.000 0.461 79 I N 3.002 123.345 120.570 -0.377 0.000 2.362 79 I HA 0.523 4.693 4.170 -0.000 0.000 0.289 79 I C -0.476 175.160 176.117 -0.801 0.000 0.994 79 I CA -0.248 60.660 61.300 -0.653 0.000 1.158 79 I CB 1.157 38.782 38.000 -0.625 0.000 1.315 79 I HN 0.766 nan 8.210 nan 0.000 0.451 80 S N 4.028 119.284 115.700 -0.740 0.000 2.697 80 S HA 0.527 4.997 4.470 -0.000 0.000 0.289 80 S C -0.733 173.629 174.600 -0.396 0.000 1.149 80 S CA -1.035 56.870 58.200 -0.492 0.000 0.850 80 S CB 1.574 64.651 63.200 -0.204 0.000 1.151 80 S HN 0.449 nan 8.310 nan 0.000 0.491 81 H N 1.901 120.989 119.070 0.030 0.000 2.722 81 H HA 0.348 4.904 4.556 -0.000 0.000 0.328 81 H C 0.699 176.019 175.328 -0.012 0.000 1.067 81 H CA 0.249 56.337 56.048 0.068 0.000 1.447 81 H CB 0.907 30.728 29.762 0.098 0.000 1.469 81 H HN 0.824 nan 8.280 nan 0.000 0.544 82 S N 4.351 120.103 115.700 0.087 0.000 2.564 82 S HA 0.047 4.517 4.470 -0.000 0.000 0.278 82 S C -1.392 173.238 174.600 0.049 0.000 1.333 82 S CA -1.187 57.034 58.200 0.034 0.000 1.048 82 S CB 1.472 64.681 63.200 0.014 0.000 0.900 82 S HN 0.457 nan 8.310 nan 0.000 0.505 83 P HA -0.160 nan 4.420 nan 0.000 0.219 83 P C 0.808 178.112 177.300 0.007 0.000 1.146 83 P CA 1.351 64.459 63.100 0.013 0.000 0.808 83 P CB -0.304 31.397 31.700 0.001 0.000 0.779 84 N N -0.667 118.039 118.700 0.010 0.000 2.515 84 N HA -0.040 4.700 4.740 -0.000 0.000 0.185 84 N C 0.676 176.191 175.510 0.009 0.000 1.109 84 N CA 0.113 53.167 53.050 0.006 0.000 0.903 84 N CB -0.997 37.494 38.487 0.007 0.000 0.969 84 N HN -0.045 nan 8.380 nan 0.000 0.450 85 S N -0.278 115.435 115.700 0.021 0.000 2.579 85 S HA 0.104 4.574 4.470 -0.000 0.000 0.275 85 S C 1.316 175.912 174.600 -0.006 0.000 1.345 85 S CA 0.120 58.335 58.200 0.026 0.000 1.031 85 S CB 0.439 63.685 63.200 0.077 0.000 0.892 85 S HN 0.531 nan 8.310 nan 0.000 0.529 86 T N 1.217 115.764 114.554 -0.012 0.000 3.088 86 T HA 0.408 4.758 4.350 -0.000 0.000 0.259 86 T C 0.481 175.139 174.700 -0.070 0.000 1.122 86 T CA 0.291 62.370 62.100 -0.036 0.000 1.095 86 T CB -0.122 68.729 68.868 -0.028 0.000 0.930 86 T HN 0.686 nan 8.240 nan 0.000 0.508 87 A N 0.035 122.810 122.820 -0.075 0.000 2.320 87 A HA 0.888 5.208 4.320 -0.000 0.000 0.334 87 A C 0.412 177.766 177.584 -0.384 0.000 1.147 87 A CA -0.315 51.627 52.037 -0.159 0.000 0.820 87 A CB 1.323 20.286 19.000 -0.062 0.000 1.218 87 A HN 0.591 nan 8.150 nan 0.000 0.482 88 G N -0.757 107.681 108.800 -0.605 0.000 2.911 88 G HA2 0.565 4.525 3.960 -0.000 0.000 0.299 88 G HA3 0.565 4.525 3.960 -0.000 0.000 0.299 88 G C -2.511 171.950 174.900 -0.731 0.000 1.283 88 G CA -0.717 43.872 45.100 -0.852 0.000 0.805 88 G HN 0.296 nan 8.290 nan 0.000 0.548 89 P HA -0.064 nan 4.420 nan 0.000 0.217 89 P C 1.956 179.199 177.300 -0.096 0.000 1.148 89 P CA 1.795 64.844 63.100 -0.085 0.000 0.828 89 P CB 0.128 31.802 31.700 -0.043 0.000 0.783 90 S N -1.555 114.067 115.700 -0.131 0.000 2.442 90 S HA -0.139 4.330 4.470 -0.000 0.000 0.236 90 S C 1.211 175.743 174.600 -0.114 0.000 1.007 90 S CA 0.590 58.727 58.200 -0.106 0.000 0.965 90 S CB -1.286 61.852 63.200 -0.104 0.000 0.773 90 S HN 0.264 nan 8.310 nan 0.000 0.504 91 c N 4.049 122.561 118.600 -0.146 0.000 2.428 91 c HA 0.228 4.798 4.570 -0.000 0.000 0.362 91 c C 1.979 175.984 174.090 -0.141 0.000 1.114 91 c CA -0.391 55.851 56.329 -0.145 0.000 1.473 91 c CB -2.108 40.310 42.510 -0.154 0.000 2.003 91 c HN 0.507 nan 8.230 nan 0.000 0.526 92 T N 4.087 118.568 114.554 -0.122 0.000 2.699 92 T HA -0.245 4.104 4.350 -0.000 0.000 0.268 92 T C 1.775 176.389 174.700 -0.144 0.000 1.036 92 T CA 2.013 64.045 62.100 -0.114 0.000 1.147 92 T CB -0.208 68.609 68.868 -0.085 0.000 0.862 92 T HN 0.813 nan 8.240 nan 0.000 0.446 93 L N 0.334 121.462 121.223 -0.158 0.000 1.989 93 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 93 L C 2.310 179.047 176.870 -0.221 0.000 1.071 93 L CA 1.536 56.277 54.840 -0.165 0.000 0.749 93 L CB -0.290 41.656 42.059 -0.187 0.000 0.890 93 L HN 0.267 nan 8.230 nan 0.000 0.431 94 L N -0.667 120.373 121.223 -0.304 0.000 2.093 94 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 94 L C 2.736 179.028 176.870 -0.962 0.000 1.085 94 L CA 0.785 55.286 54.840 -0.565 0.000 0.755 94 L CB -0.622 41.137 42.059 -0.501 0.000 0.904 94 L HN 0.304 nan 8.230 nan 0.000 0.435 95 E N 0.100 119.942 120.200 -0.597 0.000 2.077 95 E HA -0.196 4.153 4.350 -0.000 0.000 0.193 95 E C 2.107 178.581 176.600 -0.211 0.000 0.989 95 E CA 0.998 57.148 56.400 -0.417 0.000 0.800 95 E CB -0.081 29.525 29.700 -0.156 0.000 0.746 95 E HN 0.416 nan 8.360 nan 0.000 0.452 96 E N 0.603 120.708 120.200 -0.157 0.000 2.106 96 E HA -0.088 4.261 4.350 -0.000 0.000 0.192 96 E C 1.989 178.580 176.600 -0.016 0.000 0.984 96 E CA 0.959 57.316 56.400 -0.072 0.000 0.806 96 E CB -0.287 29.369 29.700 -0.074 0.000 0.750 96 E HN 0.209 nan 8.360 nan 0.000 0.458 97 A N 1.027 123.838 122.820 -0.014 0.000 1.902 97 A HA -0.151 4.168 4.320 -0.000 0.000 0.217 97 A C 1.993 179.802 177.584 0.376 0.000 1.181 97 A CA 1.016 53.167 52.037 0.190 0.000 0.623 97 A CB -0.669 18.432 19.000 0.169 0.000 0.818 97 A HN 0.113 nan 8.150 nan 0.000 0.443 98 F N -0.047 119.958 119.950 0.091 0.000 2.095 98 F HA -0.137 4.390 4.527 -0.001 0.000 0.298 98 F C 2.429 178.309 175.800 0.134 0.000 1.104 98 F CA 1.399 59.450 58.000 0.084 0.000 1.232 98 F CB -1.085 37.905 39.000 -0.018 0.000 0.987 98 F HN 0.286 nan 8.300 nan 0.000 0.475 99 R N 0.907 121.561 120.500 0.257 0.000 2.075 99 R HA -0.142 4.198 4.340 -0.000 0.000 0.232 99 R C 2.465 178.809 176.300 0.073 0.000 1.126 99 R CA 1.518 57.703 56.100 0.142 0.000 0.963 99 R CB -0.133 30.199 30.300 0.052 0.000 0.858 99 R HN 0.354 nan 8.270 nan 0.000 0.435 100 R N -1.502 118.988 120.500 -0.016 0.000 2.119 100 R HA -0.096 4.244 4.340 -0.000 0.000 0.222 100 R C 1.472 177.479 176.300 -0.488 0.000 1.088 100 R CA 1.293 57.210 56.100 -0.304 0.000 0.984 100 R CB -0.637 29.453 30.300 -0.349 0.000 0.884 100 R HN 0.230 nan 8.270 nan 0.000 0.447 101 Y N 0.698 121.020 120.300 0.036 0.000 2.373 101 Y HA -0.122 4.427 4.550 -0.001 0.000 0.293 101 Y C 2.628 178.613 175.900 0.141 0.000 1.129 101 Y CA 1.359 59.563 58.100 0.175 0.000 1.226 101 Y CB -0.405 38.202 38.460 0.246 0.000 1.000 101 Y HN 0.246 nan 8.280 nan 0.000 0.549 102 H N -0.421 118.784 119.070 0.225 0.000 2.319 102 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 102 H C 2.321 177.764 175.328 0.192 0.000 1.092 102 H CA 1.630 57.844 56.048 0.277 0.000 1.302 102 H CB -0.455 29.463 29.762 0.260 0.000 1.373 102 H HN 0.438 nan 8.280 nan 0.000 0.497 103 G N -0.583 108.314 108.800 0.162 0.000 2.418 103 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 103 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 103 G C 1.315 176.206 174.900 -0.015 0.000 1.158 103 G CA 0.739 45.855 45.100 0.027 0.000 0.771 103 G HN 0.379 nan 8.290 nan 0.000 0.545 104 Y N 0.567 120.852 120.300 -0.025 0.000 2.200 104 Y HA 0.082 4.632 4.550 0.000 0.000 0.290 104 Y C 2.716 178.524 175.900 -0.153 0.000 1.137 104 Y CA 0.048 58.080 58.100 -0.113 0.000 1.163 104 Y CB -0.602 37.745 38.460 -0.188 0.000 0.988 104 Y HN 0.134 nan 8.280 nan 0.000 0.518 105 I N -1.632 118.881 120.570 -0.096 0.000 2.286 105 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 105 I C 1.514 177.214 176.117 -0.695 0.000 1.115 105 I CA 1.567 62.557 61.300 -0.516 0.000 1.392 105 I CB -0.274 37.174 38.000 -0.920 0.000 1.065 105 I HN 0.058 nan 8.210 nan 0.000 0.418 106 F N -0.029 119.810 119.950 -0.187 0.000 2.514 106 F HA 0.327 4.855 4.527 0.000 0.000 0.281 106 F C 1.986 177.825 175.800 0.065 0.000 1.060 106 F CA -0.049 57.816 58.000 -0.226 0.000 1.397 106 F CB -1.315 37.458 39.000 -0.379 0.000 1.129 106 F HN -0.102 nan 8.300 nan 0.000 0.620 123 Q N 2.357 122.166 119.800 0.015 0.000 2.278 123 Q HA 0.564 4.904 4.340 -0.000 0.000 0.257 123 Q C -1.036 175.005 176.000 0.068 0.000 0.928 123 Q CA -0.233 55.602 55.803 0.053 0.000 0.932 123 Q CB 1.185 29.962 28.738 0.065 0.000 1.221 123 Q HN 0.139 nan 8.270 nan 0.000 0.434 124 V N 5.617 125.592 119.914 0.101 0.000 2.353 124 V HA 0.042 4.162 4.120 -0.000 0.000 0.264 124 V C 0.732 176.978 176.094 0.253 0.000 1.049 124 V CA -0.072 62.329 62.300 0.168 0.000 0.896 124 V CB 1.085 33.033 31.823 0.209 0.000 1.025 124 V HN 0.903 nan 8.190 nan 0.000 0.475 125 Q N 2.729 122.630 119.800 0.169 0.000 2.302 125 Q HA 0.171 4.511 4.340 -0.000 0.000 0.202 125 Q C 0.381 176.370 176.000 -0.019 0.000 0.936 125 Q CA 0.694 56.558 55.803 0.102 0.000 0.886 125 Q CB 0.828 29.594 28.738 0.046 0.000 0.986 125 Q HN 0.714 nan 8.270 nan 0.000 0.487 126 Q N 0.169 119.959 119.800 -0.017 0.000 2.377 126 Q HA 0.399 4.739 4.340 -0.000 0.000 0.279 126 Q C -1.888 173.996 176.000 -0.193 0.000 1.049 126 Q CA -0.582 55.073 55.803 -0.246 0.000 0.825 126 Q CB 2.298 30.973 28.738 -0.105 0.000 1.401 126 Q HN 0.010 nan 8.270 nan 0.000 0.404 127 L N 3.461 124.430 121.223 -0.423 0.000 2.295 127 L HA 0.476 4.815 4.340 -0.000 0.000 0.281 127 L C -1.680 174.957 176.870 -0.388 0.000 1.018 127 L CA -0.109 54.508 54.840 -0.372 0.000 0.841 127 L CB 0.857 42.580 42.059 -0.562 0.000 1.218 127 L HN 0.559 nan 8.230 nan 0.000 0.424 128 L N 5.482 126.551 121.223 -0.257 0.000 2.312 128 L HA 0.538 4.877 4.340 -0.000 0.000 0.281 128 L C -0.596 176.153 176.870 -0.201 0.000 1.070 128 L CA -0.777 53.934 54.840 -0.215 0.000 0.805 128 L CB 1.746 43.736 42.059 -0.114 0.000 1.174 128 L HN 0.331 nan 8.230 nan 0.000 0.434 129 V N 2.370 122.173 119.914 -0.184 0.000 2.378 129 V HA 0.253 4.373 4.120 -0.000 0.000 0.288 129 V C -0.030 176.077 176.094 0.023 0.000 1.016 129 V CA -0.366 61.881 62.300 -0.088 0.000 0.840 129 V CB 1.563 33.348 31.823 -0.063 0.000 0.994 129 V HN 0.753 nan 8.190 nan 0.000 0.431 130 S N 6.208 121.923 115.700 0.025 0.000 2.498 130 S HA 0.622 5.092 4.470 -0.000 0.000 0.324 130 S C -0.540 174.089 174.600 0.049 0.000 1.071 130 S CA -0.644 57.582 58.200 0.044 0.000 1.113 130 S CB 0.228 63.444 63.200 0.027 0.000 0.976 130 S HN 0.474 nan 8.310 nan 0.000 0.462 131 I N 5.290 125.891 120.570 0.052 0.000 2.331 131 I HA 0.248 4.418 4.170 -0.000 0.000 0.292 131 I C 1.421 177.551 176.117 0.022 0.000 0.998 131 I CA -0.194 61.124 61.300 0.029 0.000 1.267 131 I CB 0.579 38.581 38.000 0.004 0.000 1.386 131 I HN 0.575 nan 8.210 nan 0.000 0.476 132 T N 5.744 120.313 114.554 0.025 0.000 2.894 132 T HA 0.217 4.567 4.350 -0.000 0.000 0.258 132 T C 1.038 175.748 174.700 0.017 0.000 1.043 132 T CA 0.749 62.862 62.100 0.023 0.000 1.141 132 T CB 0.154 69.041 68.868 0.031 0.000 0.873 132 T HN 0.327 nan 8.240 nan 0.000 0.449 133 L N 0.554 121.788 121.223 0.019 0.000 2.347 133 L HA 0.415 4.755 4.340 -0.000 0.000 0.268 133 L C 0.192 177.065 176.870 0.005 0.000 1.019 133 L CA -1.294 53.557 54.840 0.018 0.000 0.806 133 L CB 0.553 42.631 42.059 0.033 0.000 1.339 133 L HN -0.027 nan 8.230 nan 0.000 0.463 134 Q N 0.581 120.385 119.800 0.007 0.000 2.618 134 Q HA -0.103 4.236 4.340 -0.000 0.000 0.344 134 Q C 1.195 177.184 176.000 -0.019 0.000 1.073 134 Q CA 0.496 56.297 55.803 -0.003 0.000 1.105 134 Q CB 0.435 29.180 28.738 0.013 0.000 1.028 134 Q HN 0.774 nan 8.270 nan 0.000 0.397 135 S N 2.705 118.373 115.700 -0.055 0.000 2.399 135 S HA -0.207 4.262 4.470 -0.000 0.000 0.231 135 S C 0.404 174.894 174.600 -0.183 0.000 1.022 135 S CA 1.102 59.234 58.200 -0.114 0.000 0.983 135 S CB 0.024 63.146 63.200 -0.131 0.000 0.803 135 S HN 0.844 nan 8.310 nan 0.000 0.480 136 E N -1.158 118.979 120.200 -0.106 0.000 2.868 136 E HA -0.225 4.124 4.350 -0.000 0.000 0.278 136 E C 0.917 177.390 176.600 -0.211 0.000 1.009 136 E CA 0.507 56.872 56.400 -0.059 0.000 0.856 136 E CB -2.523 27.262 29.700 0.141 0.000 1.428 136 E HN 0.665 nan 8.360 nan 0.000 0.423 137 c N 0.528 118.989 118.600 -0.231 0.000 2.413 137 c HA -0.168 4.402 4.570 -0.000 0.000 0.276 137 c C 1.715 175.686 174.090 -0.199 0.000 1.248 137 c CA 1.567 57.736 56.329 -0.266 0.000 1.742 137 c CB -0.334 42.057 42.510 -0.197 0.000 2.017 137 c HN 0.449 nan 8.230 nan 0.000 0.481 138 D N 0.249 120.572 120.400 -0.127 0.000 2.340 138 D HA 0.285 4.925 4.640 -0.000 0.000 0.217 138 D C 0.576 176.803 176.300 -0.122 0.000 1.081 138 D CA 0.547 54.476 54.000 -0.118 0.000 0.842 138 D CB 0.134 40.888 40.800 -0.077 0.000 0.934 138 D HN 0.594 nan 8.370 nan 0.000 0.511 139 A N 0.010 122.814 122.820 -0.026 0.000 2.256 139 A HA 0.595 4.915 4.320 -0.000 0.000 0.318 139 A C -0.486 177.129 177.584 0.051 0.000 1.103 139 A CA -0.473 51.607 52.037 0.072 0.000 0.860 139 A CB 0.656 19.797 19.000 0.235 0.000 1.182 139 A HN -0.067 nan 8.150 nan 0.000 0.501 140 F N 0.840 120.932 119.950 0.237 0.000 2.385 140 F HA 0.454 4.980 4.527 -0.001 0.000 0.336 140 F C -1.614 174.166 175.800 -0.034 0.000 1.100 140 F CA -1.844 56.246 58.000 0.150 0.000 1.116 140 F CB 0.985 40.037 39.000 0.087 0.000 1.166 140 F HN 0.317 nan 8.300 nan 0.000 0.511 141 P HA 0.223 nan 4.420 nan 0.000 0.274 141 P C -1.327 175.821 177.300 -0.252 0.000 1.237 141 P CA -0.353 62.294 63.100 -0.756 0.000 0.793 141 P CB 1.011 32.065 31.700 -1.078 0.000 0.977 142 N N -0.185 118.376 118.700 -0.231 0.000 3.157 142 N HA 0.203 4.943 4.740 -0.000 0.000 0.291 142 N C 0.493 175.982 175.510 -0.035 0.000 1.515 142 N CA -0.800 52.223 53.050 -0.044 0.000 0.807 142 N CB -0.278 38.231 38.487 0.037 0.000 1.672 142 N HN 0.138 nan 8.380 nan 0.000 0.592 143 I N 0.148 120.758 120.570 0.066 0.000 2.194 143 I HA -0.183 3.986 4.170 -0.000 0.000 0.246 143 I C 1.414 177.556 176.117 0.040 0.000 1.093 143 I CA 2.077 63.413 61.300 0.060 0.000 1.355 143 I CB -0.500 37.567 38.000 0.112 0.000 1.046 143 I HN 0.707 nan 8.210 nan 0.000 0.413 144 S N -1.018 114.711 115.700 0.048 0.000 2.605 144 S HA 0.220 4.690 4.470 -0.000 0.000 0.217 144 S C 0.938 175.558 174.600 0.033 0.000 0.958 144 S CA -0.332 57.895 58.200 0.046 0.000 0.919 144 S CB -0.875 62.362 63.200 0.062 0.000 0.780 144 S HN 0.309 nan 8.310 nan 0.000 0.507 145 S N 3.197 118.883 115.700 -0.024 0.000 2.558 145 S HA 0.059 4.529 4.470 -0.000 0.000 0.293 145 S C -0.078 174.573 174.600 0.085 0.000 1.292 145 S CA -0.017 58.161 58.200 -0.036 0.000 1.063 145 S CB 0.237 63.193 63.200 -0.406 0.000 0.831 145 S HN 0.498 nan 8.310 nan 0.000 0.499 146 D N 1.854 122.383 120.400 0.215 0.000 2.339 146 D HA 0.130 4.769 4.640 -0.000 0.000 0.241 146 D C 0.303 176.778 176.300 0.291 0.000 1.183 146 D CA -0.156 53.966 54.000 0.203 0.000 0.859 146 D CB 0.524 41.434 40.800 0.183 0.000 1.067 146 D HN 0.557 nan 8.370 nan 0.000 0.484 147 E N 1.224 121.567 120.200 0.237 0.000 2.501 147 E HA 0.068 4.418 4.350 -0.000 0.000 0.200 147 E C 0.292 177.105 176.600 0.356 0.000 1.016 147 E CA -0.259 56.343 56.400 0.337 0.000 0.921 147 E CB 0.420 30.325 29.700 0.342 0.000 1.034 147 E HN 0.428 nan 8.360 nan 0.000 0.468 148 S N 0.804 116.637 115.700 0.221 0.000 2.585 148 S HA 0.341 4.811 4.470 -0.000 0.000 0.273 148 S C -0.292 174.471 174.600 0.271 0.000 1.339 148 S CA -0.570 57.726 58.200 0.160 0.000 1.028 148 S CB 0.293 63.520 63.200 0.045 0.000 0.906 148 S HN 0.292 nan 8.310 nan 0.000 0.528 149 Y N -2.149 118.224 120.300 0.122 0.000 2.677 149 Y HA 0.709 5.259 4.550 0.000 0.000 0.334 149 Y C -0.849 175.099 175.900 0.079 0.000 1.196 149 Y CA -0.917 57.239 58.100 0.094 0.000 1.059 149 Y CB 0.748 39.268 38.460 0.099 0.000 1.315 149 Y HN 0.883 nan 8.280 nan 0.000 0.455 150 T N 0.644 115.313 114.554 0.193 0.000 2.893 150 T HA 0.721 5.070 4.350 -0.000 0.000 0.291 150 T C -1.851 173.008 174.700 0.266 0.000 1.028 150 T CA -0.672 61.502 62.100 0.123 0.000 0.995 150 T CB 1.974 70.874 68.868 0.054 0.000 1.051 150 T HN 0.924 nan 8.240 nan 0.000 0.470 151 L N 2.516 123.880 121.223 0.234 0.000 2.372 151 L HA 0.613 4.953 4.340 -0.000 0.000 0.274 151 L C -1.461 175.492 176.870 0.138 0.000 0.988 151 L CA -0.902 54.062 54.840 0.207 0.000 0.833 151 L CB 1.377 43.608 42.059 0.286 0.000 1.236 151 L HN 0.771 nan 8.230 nan 0.000 0.410 152 L N 6.173 127.457 121.223 0.101 0.000 2.295 152 L HA 0.517 4.857 4.340 -0.000 0.000 0.281 152 L C -0.724 176.204 176.870 0.096 0.000 1.018 152 L CA -0.782 54.107 54.840 0.082 0.000 0.841 152 L CB 1.680 43.772 42.059 0.054 0.000 1.218 152 L HN 0.292 nan 8.230 nan 0.000 0.424 153 V N 4.764 124.748 119.914 0.117 0.000 2.348 153 V HA 0.419 4.538 4.120 -0.000 0.000 0.270 153 V C 0.016 176.165 176.094 0.091 0.000 1.037 153 V CA -0.389 61.997 62.300 0.143 0.000 0.872 153 V CB 0.811 32.730 31.823 0.161 0.000 1.002 153 V HN 0.804 nan 8.190 nan 0.000 0.464 154 K N 3.292 123.743 120.400 0.084 0.000 2.578 154 K HA 0.669 4.989 4.320 -0.000 0.000 0.287 154 K C -1.055 175.579 176.600 0.057 0.000 1.010 154 K CA -1.040 55.280 56.287 0.055 0.000 0.889 154 K CB 2.370 34.895 32.500 0.041 0.000 1.514 154 K HN 0.505 nan 8.250 nan 0.000 0.424 155 E N 1.327 121.550 120.200 0.039 0.000 2.214 155 E HA 0.289 4.638 4.350 -0.000 0.000 0.274 155 E C -1.689 174.930 176.600 0.031 0.000 0.977 155 E CA -2.075 54.348 56.400 0.038 0.000 0.827 155 E CB 1.291 31.004 29.700 0.022 0.000 1.130 155 E HN 0.521 nan 8.360 nan 0.000 0.394 156 P HA 0.126 nan 4.420 nan 0.000 0.251 156 P C -0.190 177.142 177.300 0.053 0.000 1.223 156 P CA 0.011 63.138 63.100 0.044 0.000 0.796 156 P CB 0.388 32.111 31.700 0.037 0.000 1.068 157 V N 0.869 120.806 119.914 0.039 0.000 2.407 157 V HA 0.590 4.710 4.120 -0.000 0.000 0.291 157 V C 0.274 176.384 176.094 0.026 0.000 1.018 157 V CA -1.162 61.151 62.300 0.023 0.000 0.842 157 V CB 1.308 33.131 31.823 -0.001 0.000 0.996 157 V HN 0.125 nan 8.190 nan 0.000 0.426 158 A N 4.911 127.752 122.820 0.034 0.000 2.304 158 A HA 0.833 5.153 4.320 -0.000 0.000 0.271 158 A C -0.475 177.083 177.584 -0.044 0.000 1.091 158 A CA -0.376 51.679 52.037 0.030 0.000 0.812 158 A CB 1.047 20.100 19.000 0.088 0.000 1.056 158 A HN 0.739 nan 8.150 nan 0.000 0.489 159 V N 1.952 121.850 119.914 -0.027 0.000 2.577 159 V HA 0.433 4.553 4.120 -0.000 0.000 0.303 159 V C -0.968 175.109 176.094 -0.028 0.000 1.042 159 V CA -0.456 61.818 62.300 -0.042 0.000 0.872 159 V CB 1.392 33.209 31.823 -0.009 0.000 0.998 159 V HN 0.827 nan 8.190 nan 0.000 0.423 160 L N 4.955 126.141 121.223 -0.062 0.000 2.305 160 L HA 0.684 5.024 4.340 -0.000 0.000 0.284 160 L C -0.465 176.415 176.870 0.018 0.000 1.013 160 L CA -0.075 54.752 54.840 -0.021 0.000 0.819 160 L CB 1.176 43.170 42.059 -0.110 0.000 1.227 160 L HN 0.717 nan 8.230 nan 0.000 0.417 161 K N 4.451 124.898 120.400 0.078 0.000 2.324 161 K HA 0.932 5.252 4.320 -0.000 0.000 0.253 161 K C -1.650 175.026 176.600 0.126 0.000 0.932 161 K CA -0.466 55.868 56.287 0.078 0.000 0.799 161 K CB 1.720 34.259 32.500 0.064 0.000 1.154 161 K HN 0.828 nan 8.250 nan 0.000 0.425 162 A N 3.045 125.928 122.820 0.105 0.000 2.574 162 A HA 0.293 4.613 4.320 -0.000 0.000 0.297 162 A C -0.293 177.344 177.584 0.088 0.000 1.062 162 A CA -0.820 51.296 52.037 0.132 0.000 0.686 162 A CB 1.404 20.498 19.000 0.156 0.000 1.285 162 A HN 0.837 nan 8.150 nan 0.000 0.403 163 N N 0.399 119.157 118.700 0.096 0.000 2.104 163 N HA -0.083 4.656 4.740 -0.000 0.000 0.190 163 N C 0.455 175.999 175.510 0.057 0.000 1.024 163 N CA 1.372 54.467 53.050 0.075 0.000 0.853 163 N CB -0.125 38.415 38.487 0.087 0.000 1.008 163 N HN 0.625 nan 8.380 nan 0.000 0.424 164 R N -1.349 119.187 120.500 0.061 0.000 2.869 164 R HA 0.297 4.636 4.340 -0.000 0.000 0.263 164 R C 1.250 177.469 176.300 -0.134 0.000 1.066 164 R CA -0.757 55.322 56.100 -0.035 0.000 0.960 164 R CB 0.051 30.370 30.300 0.031 0.000 1.221 164 R HN -0.262 nan 8.270 nan 0.000 0.474 165 V N 0.517 120.200 119.914 -0.385 0.000 2.317 165 V HA -0.268 3.852 4.120 -0.000 0.000 0.251 165 V C 1.730 177.622 176.094 -0.337 0.000 1.065 165 V CA 2.207 64.218 62.300 -0.482 0.000 1.049 165 V CB -0.413 30.918 31.823 -0.820 0.000 0.651 165 V HN 0.649 nan 8.190 nan 0.000 0.450 166 W N -0.013 121.329 121.300 0.070 0.000 2.338 166 W HA -0.068 4.592 4.660 -0.001 0.000 0.304 166 W C 2.504 179.097 176.519 0.124 0.000 1.212 166 W CA 0.808 58.210 57.345 0.095 0.000 1.264 166 W CB -1.098 28.427 29.460 0.108 0.000 1.142 166 W HN 0.275 nan 8.180 nan 0.000 0.512 167 G N 0.344 109.331 108.800 0.311 0.000 2.422 167 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.218 167 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.218 167 G C 1.658 176.637 174.900 0.131 0.000 1.140 167 G CA 1.096 46.382 45.100 0.309 0.000 0.775 167 G HN 0.315 nan 8.290 nan 0.000 0.545 168 A N 0.585 123.434 122.820 0.048 0.000 1.930 168 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 168 A C 2.395 179.918 177.584 -0.103 0.000 1.175 168 A CA 1.024 53.035 52.037 -0.043 0.000 0.627 168 A CB -0.338 18.654 19.000 -0.014 0.000 0.815 168 A HN 0.350 nan 8.150 nan 0.000 0.443 169 L N -0.927 120.281 121.223 -0.025 0.000 2.046 169 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 169 L C 2.856 179.669 176.870 -0.095 0.000 1.077 169 L CA 1.073 55.908 54.840 -0.009 0.000 0.747 169 L CB -0.472 41.657 42.059 0.116 0.000 0.896 169 L HN 0.278 nan 8.230 nan 0.000 0.432 170 R N 0.187 120.643 120.500 -0.072 0.000 2.081 170 R HA -0.081 4.258 4.340 -0.000 0.000 0.235 170 R C 2.273 178.255 176.300 -0.529 0.000 1.131 170 R CA 1.433 57.430 56.100 -0.172 0.000 0.960 170 R CB -1.437 28.909 30.300 0.077 0.000 0.856 170 R HN 0.408 nan 8.270 nan 0.000 0.436 171 G N 1.098 109.330 108.800 -0.947 0.000 2.432 171 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.219 171 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.219 171 G C 1.640 176.234 174.900 -0.509 0.000 1.135 171 G CA 0.301 44.684 45.100 -1.194 0.000 0.767 171 G HN 0.186 nan 8.290 nan 0.000 0.550 172 L N -0.017 120.937 121.223 -0.448 0.000 2.046 172 L HA -0.053 4.286 4.340 -0.000 0.000 0.208 172 L C 2.790 179.269 176.870 -0.651 0.000 1.077 172 L CA 1.393 55.918 54.840 -0.525 0.000 0.747 172 L CB -0.283 41.353 42.059 -0.705 0.000 0.896 172 L HN 0.215 nan 8.230 nan 0.000 0.432 173 E N 0.148 119.999 120.200 -0.581 0.000 2.058 173 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 173 E C 2.026 178.564 176.600 -0.103 0.000 0.997 173 E CA 2.211 58.486 56.400 -0.209 0.000 0.801 173 E CB -0.297 29.397 29.700 -0.009 0.000 0.746 173 E HN 0.301 nan 8.360 nan 0.000 0.450 174 T N 0.357 114.828 114.554 -0.138 0.000 2.746 174 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 174 T C 1.525 176.224 174.700 -0.001 0.000 1.039 174 T CA 1.275 63.346 62.100 -0.050 0.000 1.142 174 T CB -0.629 68.249 68.868 0.017 0.000 0.866 174 T HN 0.262 nan 8.240 nan 0.000 0.444 175 F N 2.836 122.706 119.950 -0.134 0.000 2.091 175 F HA -0.221 4.305 4.527 -0.001 0.000 0.299 175 F C 2.641 178.385 175.800 -0.094 0.000 1.103 175 F CA 1.759 59.700 58.000 -0.099 0.000 1.228 175 F CB -0.617 38.315 39.000 -0.115 0.000 0.984 175 F HN 0.229 nan 8.300 nan 0.000 0.477 176 S N -0.453 115.224 115.700 -0.038 0.000 2.419 176 S HA -0.249 4.220 4.470 -0.000 0.000 0.233 176 S C 1.734 176.245 174.600 -0.148 0.000 1.016 176 S CA 1.328 59.474 58.200 -0.091 0.000 0.974 176 S CB -0.795 62.505 63.200 0.166 0.000 0.786 176 S HN 0.692 nan 8.310 nan 0.000 0.492 177 Q N 0.347 120.085 119.800 -0.104 0.000 2.378 177 Q HA 0.262 4.602 4.340 -0.000 0.000 0.205 177 Q C 1.879 177.824 176.000 -0.090 0.000 0.954 177 Q CA 0.611 56.367 55.803 -0.078 0.000 0.901 177 Q CB -0.256 28.460 28.738 -0.035 0.000 0.981 177 Q HN 0.570 nan 8.270 nan 0.000 0.483 178 L N -0.143 120.985 121.223 -0.158 0.000 2.307 178 L HA 0.064 4.404 4.340 -0.000 0.000 0.211 178 L C 0.565 177.371 176.870 -0.107 0.000 1.099 178 L CA -0.012 54.750 54.840 -0.129 0.000 0.816 178 L CB 0.397 42.349 42.059 -0.178 0.000 0.952 178 L HN -0.051 nan 8.230 nan 0.000 0.455 179 V N 0.645 120.388 119.914 -0.286 0.000 2.530 179 V HA 0.101 4.221 4.120 -0.000 0.000 0.282 179 V C -0.398 175.672 176.094 -0.039 0.000 1.048 179 V CA -0.321 61.810 62.300 -0.282 0.000 0.997 179 V CB 0.230 31.750 31.823 -0.506 0.000 0.987 179 V HN 0.203 nan 8.190 nan 0.000 0.477 180 Y N 1.871 122.111 120.300 -0.100 0.000 2.615 180 Y HA 0.728 5.278 4.550 0.000 0.000 0.341 180 Y C -0.655 175.211 175.900 -0.057 0.000 1.089 180 Y CA -1.543 56.515 58.100 -0.070 0.000 1.049 180 Y CB 1.444 39.855 38.460 -0.083 0.000 1.296 180 Y HN 0.476 nan 8.280 nan 0.000 0.470 181 Q N 2.298 122.087 119.800 -0.019 0.000 2.271 181 Q HA 0.257 4.597 4.340 -0.000 0.000 0.258 181 Q C -0.901 175.086 176.000 -0.023 0.000 0.936 181 Q CA -1.044 54.634 55.803 -0.208 0.000 0.909 181 Q CB 1.772 30.296 28.738 -0.357 0.000 1.253 181 Q HN 0.802 nan 8.270 nan 0.000 0.440 182 D N 0.259 120.624 120.400 -0.058 0.000 2.414 182 D HA 0.015 4.655 4.640 -0.000 0.000 0.259 182 D C 0.456 176.727 176.300 -0.048 0.000 1.269 182 D CA -0.341 53.685 54.000 0.043 0.000 1.028 182 D CB 0.443 41.293 40.800 0.082 0.000 1.093 182 D HN 0.271 nan 8.370 nan 0.000 0.545 183 S N -1.599 114.046 115.700 -0.092 0.000 2.440 183 S HA -0.146 4.323 4.470 -0.000 0.000 0.238 183 S C 0.994 175.332 174.600 -0.435 0.000 1.010 183 S CA 0.759 58.787 58.200 -0.286 0.000 0.972 183 S CB -0.558 62.398 63.200 -0.407 0.000 0.774 183 S HN 0.461 nan 8.310 nan 0.000 0.501 184 Y N 0.264 120.520 120.300 -0.073 0.000 2.493 184 Y HA 0.366 4.916 4.550 -0.000 0.000 0.275 184 Y C 1.705 177.526 175.900 -0.132 0.000 1.183 184 Y CA -0.060 57.987 58.100 -0.088 0.000 1.258 184 Y CB -0.031 38.380 38.460 -0.081 0.000 1.108 184 Y HN 0.258 nan 8.280 nan 0.000 0.521 185 G N -0.139 108.608 108.800 -0.088 0.000 2.176 185 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.253 185 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.253 185 G C 0.225 174.914 174.900 -0.352 0.000 0.979 185 G CA 0.256 45.227 45.100 -0.214 0.000 0.641 185 G HN 0.266 nan 8.290 nan 0.000 0.530 186 T N 1.934 116.339 114.554 -0.248 0.000 2.799 186 T HA 0.446 4.796 4.350 -0.000 0.000 0.296 186 T C 0.304 174.797 174.700 -0.345 0.000 0.947 186 T CA -0.029 61.890 62.100 -0.301 0.000 1.141 186 T CB 0.446 69.122 68.868 -0.319 0.000 0.891 186 T HN 0.194 nan 8.240 nan 0.000 0.533 187 F N 3.114 122.981 119.950 -0.137 0.000 2.541 187 F HA 0.262 4.788 4.527 -0.001 0.000 0.378 187 F C 1.408 177.107 175.800 -0.169 0.000 1.068 187 F CA 0.011 57.921 58.000 -0.151 0.000 1.199 187 F CB 0.100 39.083 39.000 -0.029 0.000 1.091 187 F HN 0.449 nan 8.300 nan 0.000 0.555 188 T N 5.223 119.642 114.554 -0.224 0.000 2.906 188 T HA 0.736 5.085 4.350 -0.000 0.000 0.295 188 T C -1.107 173.274 174.700 -0.532 0.000 1.061 188 T CA -0.683 61.221 62.100 -0.327 0.000 1.000 188 T CB 2.208 70.744 68.868 -0.552 0.000 1.103 188 T HN 0.508 nan 8.240 nan 0.000 0.486 189 I N 1.500 121.901 120.570 -0.282 0.000 2.775 189 I HA 0.420 4.590 4.170 -0.000 0.000 0.295 189 I C -1.582 174.516 176.117 -0.032 0.000 1.287 189 I CA -0.844 60.367 61.300 -0.148 0.000 1.029 189 I CB 2.212 40.092 38.000 -0.199 0.000 1.282 189 I HN 0.503 nan 8.210 nan 0.000 0.426 190 N N 4.571 123.306 118.700 0.058 0.000 2.529 190 N HA 0.216 4.956 4.740 -0.000 0.000 0.278 190 N C -1.015 174.511 175.510 0.028 0.000 1.146 190 N CA -0.251 52.828 53.050 0.049 0.000 0.980 190 N CB 0.776 39.307 38.487 0.072 0.000 1.124 190 N HN 0.478 nan 8.380 nan 0.000 0.458 191 E N 0.591 120.803 120.200 0.020 0.000 2.415 191 E HA 0.173 4.522 4.350 -0.000 0.000 0.263 191 E C -0.397 176.225 176.600 0.036 0.000 0.995 191 E CA 0.266 56.683 56.400 0.028 0.000 0.915 191 E CB 0.302 30.013 29.700 0.018 0.000 0.951 191 E HN 0.654 nan 8.360 nan 0.000 0.449 192 S N 1.873 117.602 115.700 0.048 0.000 2.611 192 S HA 0.492 4.962 4.470 -0.000 0.000 0.268 192 S C -0.891 173.745 174.600 0.060 0.000 1.156 192 S CA -1.008 57.222 58.200 0.049 0.000 0.817 192 S CB 2.152 65.382 63.200 0.050 0.000 1.122 192 S HN 0.247 nan 8.310 nan 0.000 0.466 193 T N 1.423 116.008 114.554 0.053 0.000 2.928 193 T HA 0.638 4.988 4.350 -0.000 0.000 0.296 193 T C -1.052 173.679 174.700 0.052 0.000 1.000 193 T CA -0.380 61.753 62.100 0.054 0.000 0.989 193 T CB 0.719 69.609 68.868 0.036 0.000 1.005 193 T HN 0.629 nan 8.240 nan 0.000 0.442 194 I N 3.552 124.163 120.570 0.069 0.000 2.498 194 I HA 0.543 4.713 4.170 -0.000 0.000 0.290 194 I C -0.868 175.245 176.117 -0.007 0.000 1.032 194 I CA -0.923 60.409 61.300 0.052 0.000 1.073 194 I CB 2.043 40.113 38.000 0.116 0.000 1.251 194 I HN 0.474 nan 8.210 nan 0.000 0.426 195 I N 5.021 125.552 120.570 -0.064 0.000 2.433 195 I HA 0.464 4.633 4.170 -0.000 0.000 0.292 195 I C -1.089 174.908 176.117 -0.200 0.000 1.001 195 I CA -0.276 60.943 61.300 -0.135 0.000 1.119 195 I CB 1.864 39.817 38.000 -0.077 0.000 1.289 195 I HN 0.456 nan 8.210 nan 0.000 0.438 196 D N 3.630 123.803 120.400 -0.379 0.000 2.736 196 D HA 0.685 5.325 4.640 -0.000 0.000 0.223 196 D C -1.439 174.727 176.300 -0.223 0.000 1.231 196 D CA -0.109 53.719 54.000 -0.286 0.000 0.818 196 D CB 2.204 42.760 40.800 -0.407 0.000 1.587 196 D HN 0.564 nan 8.370 nan 0.000 0.463 197 S N 1.402 117.025 115.700 -0.129 0.000 2.565 197 S HA 0.740 5.210 4.470 -0.000 0.000 0.274 197 S C -3.087 171.046 174.600 -0.778 0.000 1.144 197 S CA -1.199 56.833 58.200 -0.279 0.000 0.849 197 S CB 1.907 64.985 63.200 -0.202 0.000 1.103 197 S HN 0.201 nan 8.310 nan 0.000 0.455 198 P HA 0.418 nan 4.420 nan 0.000 0.278 198 P C 0.434 177.284 177.300 -0.750 0.000 1.238 198 P CA -0.644 61.561 63.100 -1.492 0.000 0.794 198 P CB 0.885 31.921 31.700 -1.106 0.000 0.955 199 R N 1.377 121.481 120.500 -0.661 0.000 2.075 199 R HA 0.015 4.354 4.340 -0.000 0.000 0.232 199 R C -0.103 175.758 176.300 -0.732 0.000 1.126 199 R CA 1.291 57.017 56.100 -0.623 0.000 0.963 199 R CB -0.079 29.862 30.300 -0.598 0.000 0.858 199 R HN 0.387 nan 8.270 nan 0.000 0.435 200 F N -1.249 118.646 119.950 -0.091 0.000 2.563 200 F HA 0.246 4.772 4.527 -0.002 0.000 0.316 200 F C 1.056 176.849 175.800 -0.012 0.000 1.076 200 F CA -0.893 57.120 58.000 0.022 0.000 0.921 200 F CB 2.275 41.367 39.000 0.153 0.000 1.209 200 F HN -0.092 nan 8.300 nan 0.000 0.462 201 S N -1.035 114.797 115.700 0.220 0.000 2.486 201 S HA 0.028 4.497 4.470 -0.000 0.000 0.220 201 S C 0.286 174.966 174.600 0.133 0.000 1.011 201 S CA 0.266 58.536 58.200 0.117 0.000 0.921 201 S CB -0.530 62.715 63.200 0.076 0.000 0.785 201 S HN 0.694 nan 8.310 nan 0.000 0.517 202 H N 1.988 121.109 119.070 0.084 0.000 2.741 202 H HA 0.494 5.049 4.556 -0.001 0.000 0.282 202 H C -0.467 174.917 175.328 0.093 0.000 1.122 202 H CA -0.593 55.478 56.048 0.039 0.000 1.293 202 H CB 0.209 29.939 29.762 -0.052 0.000 1.415 202 H HN 0.117 nan 8.280 nan 0.000 0.472 203 R N 4.296 124.847 120.500 0.084 0.000 2.407 203 R HA 0.328 4.668 4.340 -0.000 0.000 0.298 203 R C -0.503 175.993 176.300 0.327 0.000 1.166 203 R CA -0.672 55.541 56.100 0.190 0.000 1.006 203 R CB 1.638 31.987 30.300 0.082 0.000 1.145 203 R HN 0.645 nan 8.270 nan 0.000 0.538 204 G N 2.456 111.480 108.800 0.374 0.000 2.441 204 G HA2 0.604 4.564 3.960 -0.000 0.000 0.334 204 G HA3 0.604 4.564 3.960 -0.000 0.000 0.334 204 G C -0.556 174.423 174.900 0.132 0.000 1.161 204 G CA -0.450 44.810 45.100 0.267 0.000 0.935 204 G HN 0.265 nan 8.290 nan 0.000 0.488 205 I N 1.085 121.606 120.570 -0.081 0.000 2.436 205 I HA 0.333 4.503 4.170 -0.000 0.000 0.289 205 I C -0.483 175.500 176.117 -0.222 0.000 1.010 205 I CA -0.648 60.470 61.300 -0.304 0.000 1.098 205 I CB 1.558 39.278 38.000 -0.466 0.000 1.266 205 I HN 0.348 nan 8.210 nan 0.000 0.434 206 L N 8.143 129.166 121.223 -0.334 0.000 2.289 206 L HA 0.607 4.947 4.340 -0.000 0.000 0.285 206 L C -0.651 175.900 176.870 -0.532 0.000 1.049 206 L CA -0.452 54.092 54.840 -0.494 0.000 0.804 206 L CB 1.027 42.589 42.059 -0.828 0.000 1.195 206 L HN 0.562 nan 8.230 nan 0.000 0.428 207 I N 1.292 121.608 120.570 -0.425 0.000 2.740 207 I HA 0.632 4.802 4.170 -0.000 0.000 0.303 207 I C -1.096 174.869 176.117 -0.253 0.000 1.044 207 I CA -0.511 60.580 61.300 -0.348 0.000 1.064 207 I CB 1.849 39.665 38.000 -0.308 0.000 1.249 207 I HN 0.444 nan 8.210 nan 0.000 0.433 208 D N 2.547 122.855 120.400 -0.154 0.000 2.505 208 D HA 0.333 4.973 4.640 -0.000 0.000 0.250 208 D C 0.084 176.466 176.300 0.136 0.000 1.164 208 D CA -0.377 53.636 54.000 0.021 0.000 0.870 208 D CB 1.539 42.331 40.800 -0.013 0.000 1.160 208 D HN 0.789 nan 8.370 nan 0.000 0.549 209 T N -0.039 114.662 114.554 0.245 0.000 3.214 209 T HA 0.158 4.507 4.350 -0.000 0.000 0.264 209 T C 1.122 176.013 174.700 0.318 0.000 1.012 209 T CA -0.026 62.266 62.100 0.320 0.000 0.901 209 T CB 0.290 69.478 68.868 0.532 0.000 1.070 209 T HN 0.138 nan 8.240 nan 0.000 0.561 210 S N 0.693 116.534 115.700 0.235 0.000 2.591 210 S HA 0.162 4.631 4.470 -0.000 0.000 0.235 210 S C 2.009 176.701 174.600 0.152 0.000 1.074 210 S CA -0.159 58.132 58.200 0.152 0.000 0.925 210 S CB -0.031 63.240 63.200 0.119 0.000 0.818 210 S HN 0.291 nan 8.310 nan 0.000 0.535 211 R N 0.716 121.299 120.500 0.137 0.000 2.096 211 R HA 0.210 4.550 4.340 -0.000 0.000 0.235 211 R C 0.017 176.209 176.300 -0.180 0.000 1.127 211 R CA 1.236 57.332 56.100 -0.008 0.000 0.968 211 R CB -0.442 29.828 30.300 -0.051 0.000 0.861 211 R HN 0.566 nan 8.270 nan 0.000 0.440 212 H N -3.178 116.065 119.070 0.289 0.000 2.974 212 H HA 0.209 4.764 4.556 -0.001 0.000 0.366 212 H C -1.561 173.996 175.328 0.382 0.000 1.155 212 H CA -1.017 55.225 56.048 0.324 0.000 1.186 212 H CB 1.358 31.222 29.762 0.171 0.000 1.799 212 H HN -0.038 nan 8.280 nan 0.000 0.541 213 Y N 2.866 123.455 120.300 0.483 0.000 2.425 213 Y HA 0.257 4.807 4.550 -0.000 0.000 0.331 213 Y C -0.938 175.131 175.900 0.282 0.000 1.157 213 Y CA -0.163 58.160 58.100 0.371 0.000 1.372 213 Y CB 0.372 39.072 38.460 0.399 0.000 1.253 213 Y HN 0.437 nan 8.280 nan 0.000 0.536 214 L N 9.232 130.316 121.223 -0.232 0.000 2.305 214 L HA 0.429 4.768 4.340 -0.000 0.000 0.284 214 L C -2.258 174.377 176.870 -0.392 0.000 1.013 214 L CA -2.304 52.429 54.840 -0.178 0.000 0.819 214 L CB 1.463 43.469 42.059 -0.088 0.000 1.227 214 L HN 0.568 nan 8.230 nan 0.000 0.417 215 P HA 0.004 nan 4.420 nan 0.000 0.267 215 P C 1.073 178.359 177.300 -0.024 0.000 1.200 215 P CA -0.273 62.808 63.100 -0.032 0.000 0.772 215 P CB 0.882 32.609 31.700 0.047 0.000 0.855 216 V N 2.987 122.941 119.914 0.068 0.000 2.317 216 V HA -0.306 3.814 4.120 -0.000 0.000 0.251 216 V C 2.271 178.306 176.094 -0.099 0.000 1.065 216 V CA 1.877 64.183 62.300 0.010 0.000 1.049 216 V CB -0.888 30.981 31.823 0.076 0.000 0.651 216 V HN 0.656 nan 8.190 nan 0.000 0.450 217 K N -0.683 119.675 120.400 -0.070 0.000 2.074 217 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 217 K C 2.079 178.611 176.600 -0.114 0.000 1.048 217 K CA 1.929 58.155 56.287 -0.101 0.000 0.926 217 K CB -0.401 32.067 32.500 -0.053 0.000 0.713 217 K HN 0.435 nan 8.250 nan 0.000 0.444 218 I N 0.973 121.489 120.570 -0.090 0.000 2.676 218 I HA -0.186 3.983 4.170 -0.000 0.000 0.259 218 I C 1.862 177.900 176.117 -0.132 0.000 1.194 218 I CA 0.581 61.829 61.300 -0.085 0.000 1.473 218 I CB 0.141 38.107 38.000 -0.056 0.000 1.096 218 I HN 0.103 nan 8.210 nan 0.000 0.443 219 I N -0.041 120.410 120.570 -0.198 0.000 2.286 219 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 219 I C 2.183 178.154 176.117 -0.243 0.000 1.104 219 I CA 1.071 62.202 61.300 -0.282 0.000 1.397 219 I CB -0.269 37.458 38.000 -0.455 0.000 1.072 219 I HN 0.160 nan 8.210 nan 0.000 0.417 220 L N 0.576 121.625 121.223 -0.290 0.000 2.046 220 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 220 L C 2.542 179.308 176.870 -0.173 0.000 1.077 220 L CA 1.490 56.078 54.840 -0.420 0.000 0.747 220 L CB -0.719 40.853 42.059 -0.812 0.000 0.896 220 L HN 0.211 nan 8.230 nan 0.000 0.432 221 K N -0.289 120.035 120.400 -0.127 0.000 2.057 221 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 221 K C 2.091 178.654 176.600 -0.062 0.000 1.049 221 K CA 1.802 58.053 56.287 -0.060 0.000 0.931 221 K CB -0.302 32.177 32.500 -0.036 0.000 0.714 221 K HN 0.272 nan 8.250 nan 0.000 0.440 222 T N 2.056 116.592 114.554 -0.030 0.000 2.788 222 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 222 T C 1.863 176.563 174.700 0.000 0.000 1.044 222 T CA 1.019 63.151 62.100 0.053 0.000 1.139 222 T CB -0.143 68.727 68.868 0.003 0.000 0.867 222 T HN 0.112 nan 8.240 nan 0.000 0.454 223 L N 0.767 121.974 121.223 -0.026 0.000 2.093 223 L HA -0.093 4.246 4.340 -0.000 0.000 0.208 223 L C 2.550 179.353 176.870 -0.110 0.000 1.085 223 L CA 1.089 55.933 54.840 0.007 0.000 0.755 223 L CB -0.519 41.625 42.059 0.142 0.000 0.904 223 L HN 0.169 nan 8.230 nan 0.000 0.435 224 D N 0.340 120.638 120.400 -0.170 0.000 2.104 224 D HA -0.189 4.451 4.640 -0.000 0.000 0.194 224 D C 2.220 177.784 176.300 -1.227 0.000 0.994 224 D CA 1.669 55.329 54.000 -0.567 0.000 0.830 224 D CB 0.017 40.611 40.800 -0.344 0.000 0.959 224 D HN 0.339 nan 8.370 nan 0.000 0.452 225 A N 0.638 122.953 122.820 -0.841 0.000 1.933 225 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 225 A C 2.281 179.401 177.584 -0.772 0.000 1.175 225 A CA 1.165 52.600 52.037 -1.003 0.000 0.628 225 A CB -0.504 17.723 19.000 -1.289 0.000 0.814 225 A HN 0.148 nan 8.150 nan 0.000 0.444 226 M N -0.596 118.819 119.600 -0.308 0.000 2.117 226 M HA -0.144 4.335 4.480 -0.000 0.000 0.262 226 M C 2.518 178.869 176.300 0.084 0.000 1.065 226 M CA 1.432 56.785 55.300 0.088 0.000 1.114 226 M CB -0.351 32.340 32.600 0.153 0.000 1.361 226 M HN 0.482 nan 8.290 nan 0.000 0.408 227 A N 0.255 123.006 122.820 -0.114 0.000 1.902 227 A HA -0.143 4.176 4.320 -0.000 0.000 0.217 227 A C 1.740 179.378 177.584 0.090 0.000 1.181 227 A CA 1.436 53.460 52.037 -0.021 0.000 0.623 227 A CB -0.933 18.022 19.000 -0.075 0.000 0.818 227 A HN 0.431 nan 8.150 nan 0.000 0.443 228 F N 0.633 120.564 119.950 -0.031 0.000 2.269 228 F HA -0.092 4.434 4.527 -0.001 0.000 0.301 228 F C 1.873 177.722 175.800 0.081 0.000 1.082 228 F CA 0.661 58.639 58.000 -0.035 0.000 1.360 228 F CB -0.755 38.128 39.000 -0.196 0.000 1.041 228 F HN 0.289 nan 8.300 nan 0.000 0.512 229 N N 0.137 118.994 118.700 0.262 0.000 2.230 229 N HA -0.008 4.732 4.740 -0.000 0.000 0.202 229 N C 0.235 175.829 175.510 0.140 0.000 1.119 229 N CA 0.106 53.354 53.050 0.331 0.000 0.851 229 N CB 0.218 39.057 38.487 0.586 0.000 0.990 229 N HN 0.211 nan 8.380 nan 0.000 0.497 230 K N 0.155 120.598 120.400 0.072 0.000 3.088 230 K HA -0.182 4.138 4.320 -0.000 0.000 0.273 230 K C -0.695 175.963 176.600 0.097 0.000 1.111 230 K CA 0.483 56.763 56.287 -0.012 0.000 0.803 230 K CB -1.761 30.506 32.500 -0.389 0.000 1.226 230 K HN 0.105 nan 8.250 nan 0.000 0.485 231 F N 1.660 121.708 119.950 0.164 0.000 2.429 231 F HA 0.057 4.584 4.527 -0.000 0.000 0.348 231 F C 1.668 177.540 175.800 0.121 0.000 1.109 231 F CA 0.248 58.347 58.000 0.165 0.000 1.232 231 F CB 0.525 39.633 39.000 0.179 0.000 1.157 231 F HN 0.169 nan 8.300 nan 0.000 0.564 232 N N 0.083 118.939 118.700 0.260 0.000 2.143 232 N HA 0.126 4.866 4.740 -0.000 0.000 0.222 232 N C -1.219 174.317 175.510 0.043 0.000 1.264 232 N CA 0.167 53.298 53.050 0.135 0.000 0.897 232 N CB 0.294 38.840 38.487 0.099 0.000 1.092 232 N HN 0.153 nan 8.380 nan 0.000 0.516 233 V N 1.546 121.483 119.914 0.039 0.000 2.525 233 V HA 0.396 4.516 4.120 -0.000 0.000 0.299 233 V C -0.990 175.118 176.094 0.022 0.000 1.034 233 V CA -0.947 61.323 62.300 -0.050 0.000 0.863 233 V CB 2.025 33.661 31.823 -0.311 0.000 0.999 233 V HN 0.142 nan 8.190 nan 0.000 0.423 234 L N 4.829 126.070 121.223 0.030 0.000 2.259 234 L HA 0.447 4.787 4.340 -0.000 0.000 0.288 234 L C 0.125 177.049 176.870 0.091 0.000 1.051 234 L CA 0.142 54.992 54.840 0.016 0.000 0.824 234 L CB 0.295 42.342 42.059 -0.019 0.000 1.206 234 L HN 0.780 nan 8.230 nan 0.000 0.429 235 H N 5.359 124.405 119.070 -0.040 0.000 2.911 235 H HA 0.058 4.614 4.556 -0.001 0.000 0.273 235 H C -1.048 174.278 175.328 -0.004 0.000 1.157 235 H CA -0.714 55.324 56.048 -0.018 0.000 1.402 235 H CB 0.364 30.103 29.762 -0.038 0.000 1.463 235 H HN 0.716 nan 8.280 nan 0.000 0.475 236 W N 7.086 128.417 121.300 0.051 0.000 2.422 236 W HA 0.077 4.737 4.660 -0.001 0.000 0.349 236 W C -0.607 175.834 176.519 -0.131 0.000 1.062 236 W CA -0.935 56.352 57.345 -0.096 0.000 1.497 236 W CB -0.903 28.473 29.460 -0.140 0.000 1.407 236 W HN 0.697 nan 8.180 nan 0.000 0.393 237 H N 5.710 124.820 119.070 0.067 0.000 3.216 237 H HA 0.076 4.632 4.556 -0.000 0.000 0.263 237 H C 1.419 176.713 175.328 -0.056 0.000 1.601 237 H CA 0.435 56.429 56.048 -0.089 0.000 1.509 237 H CB 0.025 29.645 29.762 -0.236 0.000 1.759 237 H HN 0.597 nan 8.280 nan 0.000 0.533 238 I N 3.618 123.896 120.570 -0.487 0.000 2.406 238 I HA -0.054 4.116 4.170 -0.000 0.000 0.249 238 I C -0.091 175.788 176.117 -0.397 0.000 1.122 238 I CA 0.586 61.539 61.300 -0.578 0.000 1.431 238 I CB 0.398 37.601 38.000 -1.327 0.000 1.087 238 I HN 0.388 nan 8.210 nan 0.000 0.424 239 V N -2.263 117.328 119.914 -0.538 0.000 3.001 239 V HA 0.640 4.760 4.120 -0.000 0.000 0.314 239 V C -0.845 175.192 176.094 -0.095 0.000 1.099 239 V CA -0.741 61.350 62.300 -0.348 0.000 0.989 239 V CB 1.876 33.298 31.823 -0.668 0.000 1.040 239 V HN 0.127 nan 8.190 nan 0.000 0.434 240 D N -0.306 120.169 120.400 0.124 0.000 2.970 240 D HA 0.178 4.818 4.640 -0.000 0.000 0.344 240 D C -0.140 176.321 176.300 0.270 0.000 1.365 240 D CA -0.205 53.958 54.000 0.272 0.000 0.910 240 D CB 2.178 43.172 40.800 0.322 0.000 1.445 240 D HN 0.593 nan 8.370 nan 0.000 0.532 241 D N -0.082 120.455 120.400 0.229 0.000 2.123 241 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 241 D C 1.642 177.994 176.300 0.086 0.000 0.992 241 D CA 1.669 55.752 54.000 0.139 0.000 0.833 241 D CB 0.181 41.019 40.800 0.063 0.000 0.954 241 D HN 0.237 nan 8.370 nan 0.000 0.455 242 Q N -0.039 119.793 119.800 0.053 0.000 2.172 242 Q HA 0.024 4.364 4.340 -0.000 0.000 0.200 242 Q C 0.560 176.434 176.000 -0.210 0.000 0.964 242 Q CA 0.396 56.195 55.803 -0.007 0.000 0.855 242 Q CB 0.327 29.099 28.738 0.057 0.000 0.918 242 Q HN 0.241 nan 8.270 nan 0.000 0.444 243 S N -1.932 113.629 115.700 -0.232 0.000 2.567 243 S HA 0.554 5.024 4.470 -0.000 0.000 0.270 243 S C -1.530 173.033 174.600 -0.061 0.000 1.152 243 S CA -0.982 57.000 58.200 -0.363 0.000 0.835 243 S CB 0.637 63.216 63.200 -1.035 0.000 1.115 243 S HN 0.081 nan 8.310 nan 0.000 0.459 244 F N 3.060 122.919 119.950 -0.151 0.000 2.660 244 F HA 0.527 5.054 4.527 -0.000 0.000 0.352 244 F C -2.191 173.606 175.800 -0.005 0.000 1.257 244 F CA -1.988 55.966 58.000 -0.077 0.000 1.200 244 F CB 2.057 40.968 39.000 -0.148 0.000 1.473 244 F HN 0.440 nan 8.300 nan 0.000 0.561 245 P HA -0.138 nan 4.420 nan 0.000 0.231 245 P C 0.183 177.631 177.300 0.247 0.000 1.168 245 P CA 0.599 63.797 63.100 0.163 0.000 0.779 245 P CB -0.196 31.643 31.700 0.231 0.000 0.844 246 Y N 2.855 123.181 120.300 0.043 0.000 2.713 246 Y HA 0.055 4.605 4.550 -0.000 0.000 0.341 246 Y C 0.769 176.847 175.900 0.297 0.000 1.167 246 Y CA -0.448 57.739 58.100 0.145 0.000 1.503 246 Y CB -0.247 38.247 38.460 0.057 0.000 1.199 246 Y HN -0.068 nan 8.280 nan 0.000 0.525 247 Q N 5.457 125.077 119.800 -0.301 0.000 2.323 247 Q HA 0.183 4.523 4.340 -0.000 0.000 0.257 247 Q C -0.522 175.084 176.000 -0.657 0.000 1.022 247 Q CA -0.260 55.367 55.803 -0.294 0.000 0.919 247 Q CB 0.473 29.130 28.738 -0.136 0.000 1.220 247 Q HN 0.731 nan 8.270 nan 0.000 0.427 248 S N 4.141 119.635 115.700 -0.344 0.000 2.513 248 S HA 0.238 4.708 4.470 -0.000 0.000 0.276 248 S C 1.021 175.569 174.600 -0.088 0.000 1.254 248 S CA -0.569 57.528 58.200 -0.172 0.000 1.053 248 S CB 0.584 63.945 63.200 0.268 0.000 0.958 248 S HN 0.808 nan 8.310 nan 0.000 0.491 249 I N 3.813 124.318 120.570 -0.109 0.000 2.202 249 I HA -0.131 4.038 4.170 -0.000 0.000 0.242 249 I C 2.707 178.751 176.117 -0.121 0.000 1.091 249 I CA 1.638 62.879 61.300 -0.100 0.000 1.368 249 I CB -0.436 37.505 38.000 -0.098 0.000 1.058 249 I HN 0.866 nan 8.210 nan 0.000 0.410 250 T N -1.736 112.703 114.554 -0.191 0.000 2.951 250 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 250 T C 0.535 174.896 174.700 -0.565 0.000 1.073 250 T CA 0.777 62.632 62.100 -0.407 0.000 1.134 250 T CB -0.276 68.255 68.868 -0.560 0.000 0.884 250 T HN 0.063 nan 8.240 nan 0.000 0.479 251 F N 1.632 121.609 119.950 0.046 0.000 2.531 251 F HA 0.446 4.973 4.527 -0.001 0.000 0.333 251 F C -2.194 173.614 175.800 0.014 0.000 1.292 251 F CA -3.040 55.003 58.000 0.071 0.000 1.184 251 F CB 1.746 40.853 39.000 0.177 0.000 1.426 251 F HN -0.043 nan 8.300 nan 0.000 0.559 252 P HA -0.153 nan 4.420 nan 0.000 0.219 252 P C 1.313 178.630 177.300 0.028 0.000 1.146 252 P CA 1.321 64.446 63.100 0.042 0.000 0.808 252 P CB 0.395 32.103 31.700 0.012 0.000 0.779 253 E N -0.677 119.545 120.200 0.038 0.000 2.347 253 E HA -0.030 4.320 4.350 -0.000 0.000 0.196 253 E C 2.030 178.567 176.600 -0.104 0.000 1.008 253 E CA 0.442 56.829 56.400 -0.022 0.000 0.852 253 E CB -0.669 29.021 29.700 -0.018 0.000 0.783 253 E HN 0.344 nan 8.360 nan 0.000 0.505 254 L N 1.094 122.224 121.223 -0.155 0.000 1.989 254 L HA -0.230 4.109 4.340 -0.000 0.000 0.211 254 L C 2.641 179.313 176.870 -0.330 0.000 1.071 254 L CA 1.912 56.466 54.840 -0.477 0.000 0.749 254 L CB -0.648 40.948 42.059 -0.771 0.000 0.890 254 L HN 0.171 nan 8.230 nan 0.000 0.431 255 S N -0.960 114.713 115.700 -0.044 0.000 2.395 255 S HA -0.090 4.380 4.470 -0.000 0.000 0.225 255 S C 1.784 176.393 174.600 0.015 0.000 1.027 255 S CA 0.799 59.056 58.200 0.094 0.000 0.965 255 S CB -0.471 62.810 63.200 0.135 0.000 0.812 255 S HN 0.342 nan 8.310 nan 0.000 0.482 256 N N 2.145 120.837 118.700 -0.013 0.000 2.205 256 N HA -0.017 4.722 4.740 -0.000 0.000 0.186 256 N C 1.472 176.967 175.510 -0.026 0.000 1.015 256 N CA 1.374 54.414 53.050 -0.016 0.000 0.862 256 N CB -0.224 38.253 38.487 -0.017 0.000 0.986 256 N HN 0.620 nan 8.380 nan 0.000 0.429 257 K N -1.330 119.040 120.400 -0.050 0.000 2.370 257 K HA 0.227 4.547 4.320 -0.000 0.000 0.194 257 K C 1.689 178.254 176.600 -0.058 0.000 1.070 257 K CA 0.367 56.620 56.287 -0.056 0.000 0.998 257 K CB 0.604 33.057 32.500 -0.078 0.000 0.911 257 K HN 0.080 nan 8.250 nan 0.000 0.533 258 G N 1.057 109.820 108.800 -0.063 0.000 2.796 258 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.210 258 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.210 258 G C 0.536 175.433 174.900 -0.004 0.000 1.146 258 G CA -0.069 45.011 45.100 -0.033 0.000 0.779 258 G HN 0.278 nan 8.290 nan 0.000 0.535 259 S N -0.733 114.972 115.700 0.009 0.000 2.600 259 S HA 0.236 4.705 4.470 -0.000 0.000 0.265 259 S C 0.993 175.560 174.600 -0.055 0.000 1.325 259 S CA -0.465 57.721 58.200 -0.023 0.000 1.002 259 S CB 0.723 63.935 63.200 0.020 0.000 0.921 259 S HN 0.145 nan 8.310 nan 0.000 0.554 260 Y N 1.328 121.594 120.300 -0.057 0.000 2.224 260 Y HA 0.078 4.627 4.550 -0.001 0.000 0.289 260 Y C 1.771 177.538 175.900 -0.220 0.000 1.146 260 Y CA 1.109 59.102 58.100 -0.179 0.000 1.182 260 Y CB -0.526 37.725 38.460 -0.348 0.000 0.983 260 Y HN 1.001 nan 8.280 nan 0.000 0.524 261 S N -2.897 112.791 115.700 -0.021 0.000 2.655 261 S HA 0.233 4.702 4.470 -0.000 0.000 0.266 261 S C -0.082 174.553 174.600 0.058 0.000 1.149 261 S CA -0.726 57.483 58.200 0.015 0.000 0.818 261 S CB 0.246 63.458 63.200 0.021 0.000 1.130 261 S HN -0.095 nan 8.310 nan 0.000 0.476 262 L N 1.995 123.241 121.223 0.038 0.000 2.275 262 L HA 0.118 4.458 4.340 -0.000 0.000 0.215 262 L C 2.358 179.210 176.870 -0.031 0.000 1.119 262 L CA 1.947 56.789 54.840 0.004 0.000 0.790 262 L CB -0.524 41.534 42.059 -0.001 0.000 0.919 262 L HN 0.851 nan 8.230 nan 0.000 0.443 263 S N -2.906 112.784 115.700 -0.017 0.000 2.605 263 S HA 0.063 4.533 4.470 -0.000 0.000 0.217 263 S C 0.308 174.562 174.600 -0.577 0.000 0.958 263 S CA -0.146 57.944 58.200 -0.183 0.000 0.919 263 S CB -0.555 62.553 63.200 -0.153 0.000 0.780 263 S HN 0.405 nan 8.310 nan 0.000 0.507 264 H N 0.731 119.457 119.070 -0.572 0.000 2.412 264 H HA 0.678 5.234 4.556 -0.001 0.000 0.239 264 H C -0.800 174.078 175.328 -0.750 0.000 1.388 264 H CA -0.329 54.991 56.048 -1.215 0.000 1.148 264 H CB 0.289 29.715 29.762 -0.561 0.000 1.637 264 H HN 0.105 nan 8.280 nan 0.000 0.542 265 V N 0.992 120.621 119.914 -0.476 0.000 3.007 265 V HA 0.271 4.391 4.120 -0.000 0.000 0.311 265 V C -1.166 174.889 176.094 -0.065 0.000 1.120 265 V CA -1.002 61.219 62.300 -0.131 0.000 0.980 265 V CB 2.231 34.026 31.823 -0.047 0.000 1.033 265 V HN 0.308 nan 8.190 nan 0.000 0.429 266 Y N 1.779 122.253 120.300 0.290 0.000 2.369 266 Y HA 0.498 5.048 4.550 -0.000 0.000 0.337 266 Y C 1.027 176.996 175.900 0.115 0.000 0.961 266 Y CA -0.823 57.435 58.100 0.263 0.000 1.186 266 Y CB 1.438 40.098 38.460 0.334 0.000 1.139 266 Y HN 0.756 nan 8.280 nan 0.000 0.494 267 T N 0.513 115.197 114.554 0.217 0.000 2.813 267 T HA 0.154 4.504 4.350 -0.000 0.000 0.297 267 T C -1.830 172.917 174.700 0.079 0.000 1.036 267 T CA -1.740 60.415 62.100 0.092 0.000 1.044 267 T CB 1.150 70.062 68.868 0.072 0.000 0.993 267 T HN 0.267 nan 8.240 nan 0.000 0.535 268 P HA -0.108 nan 4.420 nan 0.000 0.216 268 P C 1.339 178.657 177.300 0.030 0.000 1.150 268 P CA 1.136 64.234 63.100 -0.004 0.000 0.843 268 P CB -0.069 31.612 31.700 -0.031 0.000 0.787 269 N N -1.244 117.484 118.700 0.047 0.000 2.216 269 N HA -0.127 4.612 4.740 -0.000 0.000 0.183 269 N C 1.347 176.916 175.510 0.097 0.000 1.017 269 N CA 1.108 54.194 53.050 0.061 0.000 0.861 269 N CB -0.440 38.078 38.487 0.052 0.000 0.986 269 N HN -0.041 nan 8.380 nan 0.000 0.428 270 D N -0.400 120.086 120.400 0.143 0.000 2.104 270 D HA -0.129 4.511 4.640 -0.000 0.000 0.194 270 D C 1.966 178.396 176.300 0.215 0.000 0.994 270 D CA 0.832 54.956 54.000 0.208 0.000 0.830 270 D CB -0.443 40.570 40.800 0.355 0.000 0.959 270 D HN 0.081 nan 8.370 nan 0.000 0.452 271 V N 1.060 121.100 119.914 0.210 0.000 2.295 271 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 271 V C 2.528 178.681 176.094 0.098 0.000 1.049 271 V CA 1.604 64.012 62.300 0.181 0.000 1.024 271 V CB -0.378 31.467 31.823 0.037 0.000 0.648 271 V HN 0.131 nan 8.190 nan 0.000 0.447 272 R N -0.820 119.710 120.500 0.051 0.000 2.091 272 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 272 R C 2.364 178.731 176.300 0.111 0.000 1.136 272 R CA 2.026 58.161 56.100 0.058 0.000 0.959 272 R CB -0.403 29.928 30.300 0.051 0.000 0.856 272 R HN 0.459 nan 8.270 nan 0.000 0.437 273 M N 0.367 120.033 119.600 0.111 0.000 2.080 273 M HA -0.186 4.294 4.480 -0.000 0.000 0.260 273 M C 2.063 178.445 176.300 0.137 0.000 1.068 273 M CA 1.619 56.988 55.300 0.116 0.000 1.109 273 M CB 0.065 32.714 32.600 0.082 0.000 1.342 273 M HN 0.012 nan 8.290 nan 0.000 0.405 274 V N 0.619 120.602 119.914 0.115 0.000 2.343 274 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 274 V C 2.192 178.393 176.094 0.179 0.000 1.051 274 V CA 1.870 64.224 62.300 0.089 0.000 1.036 274 V CB -0.613 31.212 31.823 0.002 0.000 0.654 274 V HN 0.489 nan 8.190 nan 0.000 0.451 275 I N -0.448 120.245 120.570 0.205 0.000 2.179 275 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 275 I C 2.716 179.011 176.117 0.297 0.000 1.088 275 I CA 1.450 62.891 61.300 0.236 0.000 1.357 275 I CB -0.374 37.717 38.000 0.152 0.000 1.051 275 I HN 0.265 nan 8.210 nan 0.000 0.409 276 E N 0.320 120.679 120.200 0.265 0.000 2.051 276 E HA -0.258 4.092 4.350 -0.000 0.000 0.192 276 E C 2.083 178.807 176.600 0.208 0.000 0.991 276 E CA 1.506 58.048 56.400 0.236 0.000 0.799 276 E CB -0.463 29.345 29.700 0.179 0.000 0.748 276 E HN 0.480 nan 8.360 nan 0.000 0.449 277 Y N 0.697 121.051 120.300 0.090 0.000 2.165 277 Y HA -0.265 4.284 4.550 -0.001 0.000 0.286 277 Y C 2.177 178.121 175.900 0.072 0.000 1.155 277 Y CA 2.046 60.182 58.100 0.060 0.000 1.164 277 Y CB -0.404 38.072 38.460 0.028 0.000 0.978 277 Y HN 0.090 nan 8.280 nan 0.000 0.513 278 A N 0.169 123.132 122.820 0.239 0.000 1.877 278 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 278 A C 2.355 180.037 177.584 0.163 0.000 1.186 278 A CA 1.764 53.906 52.037 0.175 0.000 0.620 278 A CB -0.796 18.312 19.000 0.180 0.000 0.822 278 A HN 0.504 nan 8.150 nan 0.000 0.443 279 R N -0.283 120.346 120.500 0.214 0.000 2.091 279 R HA -0.075 4.265 4.340 -0.000 0.000 0.238 279 R C 1.834 178.251 176.300 0.196 0.000 1.136 279 R CA 1.497 57.739 56.100 0.237 0.000 0.959 279 R CB -0.421 29.999 30.300 0.200 0.000 0.856 279 R HN 0.543 nan 8.270 nan 0.000 0.437 280 L N -0.036 121.235 121.223 0.079 0.000 2.353 280 L HA -0.115 4.225 4.340 -0.000 0.000 0.220 280 L C 1.698 178.589 176.870 0.035 0.000 1.133 280 L CA 1.170 56.016 54.840 0.010 0.000 0.798 280 L CB -0.102 41.903 42.059 -0.091 0.000 0.922 280 L HN 0.138 nan 8.230 nan 0.000 0.445 281 R N -0.513 120.026 120.500 0.064 0.000 2.468 281 R HA 0.218 4.558 4.340 -0.000 0.000 0.280 281 R C 1.016 177.438 176.300 0.203 0.000 0.963 281 R CA 0.466 56.628 56.100 0.103 0.000 1.083 281 R CB 0.687 31.001 30.300 0.024 0.000 1.200 281 R HN 0.232 nan 8.270 nan 0.000 0.541 282 G N 1.590 110.578 108.800 0.314 0.000 2.221 282 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.265 282 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.265 282 G C -0.045 174.936 174.900 0.135 0.000 1.041 282 G CA 0.020 45.342 45.100 0.370 0.000 0.807 282 G HN 0.268 nan 8.290 nan 0.000 0.502 283 I N -0.124 120.521 120.570 0.125 0.000 2.404 283 I HA 0.436 4.606 4.170 -0.000 0.000 0.293 283 I C 0.802 176.971 176.117 0.086 0.000 0.992 283 I CA -0.990 60.364 61.300 0.091 0.000 1.149 283 I CB 1.427 39.491 38.000 0.106 0.000 1.315 283 I HN 0.023 nan 8.210 nan 0.000 0.446 284 R N 4.438 124.961 120.500 0.039 0.000 2.390 284 R HA 0.495 4.835 4.340 -0.000 0.000 0.291 284 R C -0.951 175.402 176.300 0.089 0.000 1.070 284 R CA -0.604 55.529 56.100 0.055 0.000 1.014 284 R CB 1.379 31.677 30.300 -0.004 0.000 1.007 284 R HN 0.335 nan 8.270 nan 0.000 0.466 285 V N 5.135 125.135 119.914 0.144 0.000 2.318 285 V HA 0.149 4.269 4.120 -0.000 0.000 0.271 285 V C -0.591 175.604 176.094 0.169 0.000 1.030 285 V CA -0.635 61.787 62.300 0.202 0.000 0.844 285 V CB 1.112 33.136 31.823 0.335 0.000 1.015 285 V HN 0.449 nan 8.190 nan 0.000 0.460 286 L N 9.885 131.164 121.223 0.093 0.000 2.270 286 L HA 0.615 4.954 4.340 -0.000 0.000 0.286 286 L C -2.255 174.566 176.870 -0.082 0.000 1.059 286 L CA -1.767 53.072 54.840 -0.002 0.000 0.839 286 L CB 1.201 43.232 42.059 -0.046 0.000 1.221 286 L HN 0.352 nan 8.230 nan 0.000 0.431 287 P HA 0.183 nan 4.420 nan 0.000 0.279 287 P C -1.202 175.930 177.300 -0.279 0.000 1.239 287 P CA -0.305 62.470 63.100 -0.541 0.000 0.789 287 P CB 1.132 32.043 31.700 -1.314 0.000 0.933 288 E N 2.602 122.611 120.200 -0.318 0.000 2.165 288 E HA 0.383 4.733 4.350 -0.000 0.000 0.266 288 E C -1.526 174.830 176.600 -0.406 0.000 0.889 288 E CA -0.645 55.669 56.400 -0.144 0.000 0.756 288 E CB 0.570 30.291 29.700 0.035 0.000 1.131 288 E HN 0.258 nan 8.360 nan 0.000 0.411 289 F N 3.481 123.514 119.950 0.138 0.000 2.363 289 F HA 0.186 4.713 4.527 -0.000 0.000 0.366 289 F C 0.145 176.210 175.800 0.441 0.000 1.083 289 F CA -0.895 57.304 58.000 0.332 0.000 1.176 289 F CB 0.920 40.236 39.000 0.527 0.000 1.432 289 F HN 0.382 nan 8.300 nan 0.000 0.482 290 D N 2.561 123.193 120.400 0.387 0.000 2.417 290 D HA 0.275 4.915 4.640 -0.000 0.000 0.250 290 D C 0.047 176.488 176.300 0.236 0.000 1.166 290 D CA 0.647 54.862 54.000 0.358 0.000 0.881 290 D CB 0.929 41.927 40.800 0.331 0.000 1.164 290 D HN 0.547 nan 8.370 nan 0.000 0.467 291 T N 0.520 115.217 114.554 0.238 0.000 2.821 291 T HA 0.486 4.835 4.350 -0.000 0.000 0.306 291 T C -2.452 172.403 174.700 0.258 0.000 1.313 291 T CA -1.143 61.015 62.100 0.097 0.000 1.012 291 T CB 2.081 71.025 68.868 0.127 0.000 1.298 291 T HN 0.061 nan 8.240 nan 0.000 0.502 292 P HA 0.211 nan 4.420 nan 0.000 0.230 292 P C 1.012 178.195 177.300 -0.194 0.000 1.168 292 P CA 0.477 63.450 63.100 -0.212 0.000 0.793 292 P CB -0.294 31.128 31.700 -0.463 0.000 0.851 293 G N -0.757 107.979 108.800 -0.106 0.000 2.588 293 G HA2 0.131 4.091 3.960 -0.000 0.000 0.281 293 G HA3 0.131 4.091 3.960 -0.000 0.000 0.281 293 G C -0.154 174.728 174.900 -0.030 0.000 1.236 293 G CA -0.189 44.815 45.100 -0.161 0.000 0.969 293 G HN 0.285 nan 8.290 nan 0.000 0.504 294 H N -1.630 117.384 119.070 -0.093 0.000 2.862 294 H HA -0.186 4.370 4.556 -0.000 0.000 0.290 294 H C 1.230 176.570 175.328 0.020 0.000 1.211 294 H CA 1.370 57.410 56.048 -0.014 0.000 1.140 294 H CB -1.913 27.885 29.762 0.060 0.000 1.341 294 H HN 0.700 nan 8.280 nan 0.000 0.392 295 T N -2.950 111.584 114.554 -0.034 0.000 3.182 295 T HA 0.310 4.660 4.350 -0.000 0.000 0.277 295 T C 1.809 176.558 174.700 0.082 0.000 1.013 295 T CA -0.326 61.713 62.100 -0.103 0.000 0.900 295 T CB 0.318 68.838 68.868 -0.580 0.000 1.098 295 T HN 0.179 nan 8.240 nan 0.000 0.543 296 L N 2.047 123.314 121.223 0.074 0.000 2.043 296 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 296 L C 2.973 179.891 176.870 0.081 0.000 1.075 296 L CA 2.179 57.047 54.840 0.046 0.000 0.752 296 L CB -0.621 41.460 42.059 0.036 0.000 0.891 296 L HN 0.589 nan 8.230 nan 0.000 0.432 297 S N -1.506 114.303 115.700 0.181 0.000 2.442 297 S HA -0.211 4.259 4.470 -0.000 0.000 0.236 297 S C 1.487 176.162 174.600 0.124 0.000 1.007 297 S CA 0.773 59.065 58.200 0.153 0.000 0.965 297 S CB -0.691 62.630 63.200 0.200 0.000 0.773 297 S HN 0.465 nan 8.310 nan 0.000 0.504 298 W N 2.265 123.525 121.300 -0.067 0.000 2.402 298 W HA 0.287 4.947 4.660 -0.001 0.000 0.286 298 W C 2.668 178.956 176.519 -0.384 0.000 1.221 298 W CA 0.218 57.398 57.345 -0.275 0.000 1.257 298 W CB -1.178 28.169 29.460 -0.188 0.000 1.120 298 W HN 0.440 nan 8.180 nan 0.000 0.551 299 G N 0.361 109.089 108.800 -0.119 0.000 2.534 299 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.217 299 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.217 299 G C 1.631 176.340 174.900 -0.318 0.000 1.128 299 G CA 0.599 45.508 45.100 -0.319 0.000 0.784 299 G HN 0.049 nan 8.290 nan 0.000 0.542 300 K N 0.747 121.012 120.400 -0.226 0.000 2.026 300 K HA -0.039 4.281 4.320 -0.000 0.000 0.208 300 K C 2.509 178.997 176.600 -0.186 0.000 1.048 300 K CA 1.398 57.577 56.287 -0.179 0.000 0.929 300 K CB -0.858 31.570 32.500 -0.120 0.000 0.713 300 K HN 0.276 nan 8.250 nan 0.000 0.439 301 G N 0.208 108.872 108.800 -0.228 0.000 2.719 301 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.211 301 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.211 301 G C 0.383 175.138 174.900 -0.241 0.000 1.140 301 G CA -0.048 44.925 45.100 -0.213 0.000 0.790 301 G HN 0.224 nan 8.290 nan 0.000 0.529 302 Q N 1.662 121.256 119.800 -0.343 0.000 2.413 302 Q HA 0.297 4.637 4.340 -0.000 0.000 0.258 302 Q C -0.169 175.602 176.000 -0.381 0.000 1.037 302 Q CA -0.810 54.725 55.803 -0.446 0.000 0.764 302 Q CB 0.661 28.893 28.738 -0.843 0.000 1.217 302 Q HN 0.218 nan 8.270 nan 0.000 0.490 303 K N 2.674 122.911 120.400 -0.271 0.000 2.326 303 K HA 0.187 4.507 4.320 -0.000 0.000 0.275 303 K C -0.556 175.920 176.600 -0.208 0.000 1.018 303 K CA -0.102 56.058 56.287 -0.212 0.000 0.962 303 K CB 0.664 33.087 32.500 -0.128 0.000 0.953 303 K HN 0.686 nan 8.250 nan 0.000 0.475 304 D N -0.159 120.137 120.400 -0.173 0.000 3.046 304 D HA -0.191 4.449 4.640 -0.000 0.000 0.210 304 D C 0.795 176.992 176.300 -0.172 0.000 1.124 304 D CA 1.080 55.004 54.000 -0.127 0.000 0.986 304 D CB -0.903 39.850 40.800 -0.079 0.000 1.118 304 D HN 0.535 nan 8.370 nan 0.000 0.416 305 L N 0.155 121.215 121.223 -0.272 0.000 2.068 305 L HA 0.115 4.455 4.340 -0.000 0.000 0.204 305 L C 0.917 177.658 176.870 -0.215 0.000 1.076 305 L CA 1.271 55.927 54.840 -0.308 0.000 0.753 305 L CB -0.015 41.752 42.059 -0.487 0.000 0.910 305 L HN 0.105 nan 8.230 nan 0.000 0.439 306 L N 0.218 121.305 121.223 -0.226 0.000 2.418 306 L HA 0.209 4.549 4.340 -0.000 0.000 0.265 306 L C 0.221 177.127 176.870 0.059 0.000 1.143 306 L CA -0.490 54.277 54.840 -0.123 0.000 0.809 306 L CB 0.566 42.488 42.059 -0.228 0.000 1.124 306 L HN -0.011 nan 8.230 nan 0.000 0.456 307 T N 3.002 117.646 114.554 0.151 0.000 2.779 307 T HA 0.224 4.574 4.350 -0.000 0.000 0.296 307 T C -2.329 172.539 174.700 0.280 0.000 0.938 307 T CA -0.939 61.292 62.100 0.219 0.000 1.119 307 T CB 0.764 69.815 68.868 0.305 0.000 0.891 307 T HN 0.318 nan 8.240 nan 0.000 0.526 308 P HA 0.261 nan 4.420 nan 0.000 0.275 308 P C -0.673 176.568 177.300 -0.098 0.000 1.227 308 P CA -0.590 62.476 63.100 -0.057 0.000 0.781 308 P CB 0.342 31.960 31.700 -0.136 0.000 0.906 309 c N 3.644 122.103 118.600 -0.234 0.000 2.285 309 c HA 0.262 4.832 4.570 -0.000 0.000 0.335 309 c C 0.077 174.064 174.090 -0.172 0.000 1.267 309 c CA -0.203 56.059 56.329 -0.112 0.000 1.762 309 c CB -1.421 41.018 42.510 -0.117 0.000 2.365 309 c HN 0.516 nan 8.230 nan 0.000 0.527 310 Y N 3.547 123.804 120.300 -0.071 0.000 2.568 310 Y HA 0.440 4.990 4.550 -0.001 0.000 0.338 310 Y C 0.990 176.858 175.900 -0.054 0.000 1.245 310 Y CA 0.904 58.969 58.100 -0.057 0.000 1.667 310 Y CB -0.127 38.317 38.460 -0.028 0.000 1.568 310 Y HN 0.907 nan 8.280 nan 0.000 0.471 317 D N -0.959 119.396 120.400 -0.075 0.000 2.453 317 D HA 0.335 4.975 4.640 -0.000 0.000 0.282 317 D C 0.825 177.046 176.300 -0.132 0.000 1.222 317 D CA 0.381 54.330 54.000 -0.084 0.000 1.079 317 D CB 0.981 41.737 40.800 -0.073 0.000 1.128 317 D HN -0.041 nan 8.370 nan 0.000 0.568 318 S N -1.551 114.053 115.700 -0.159 0.000 2.510 318 S HA 0.205 4.675 4.470 -0.000 0.000 0.230 318 S C -0.105 174.150 174.600 -0.576 0.000 1.066 318 S CA 0.133 58.121 58.200 -0.352 0.000 0.941 318 S CB 0.325 63.336 63.200 -0.316 0.000 0.829 318 S HN 0.238 nan 8.310 nan 0.000 0.530 319 F N 0.324 120.228 119.950 -0.076 0.000 2.551 319 F HA 0.687 5.214 4.527 -0.001 0.000 0.316 319 F C 0.721 176.464 175.800 -0.096 0.000 1.089 319 F CA -0.875 57.078 58.000 -0.078 0.000 0.915 319 F CB 1.504 40.459 39.000 -0.074 0.000 1.186 319 F HN 0.126 nan 8.300 nan 0.000 0.456 320 G N 1.099 109.961 108.800 0.104 0.000 3.008 320 G HA2 0.652 4.612 3.960 -0.000 0.000 0.181 320 G HA3 0.652 4.612 3.960 -0.000 0.000 0.181 320 G C -2.833 172.013 174.900 -0.090 0.000 1.309 320 G CA -1.637 43.431 45.100 -0.053 0.000 1.009 320 G HN 0.312 nan 8.290 nan 0.000 0.584 321 P HA 0.163 nan 4.420 nan 0.000 0.272 321 P C 0.185 177.456 177.300 -0.048 0.000 1.254 321 P CA -0.298 62.665 63.100 -0.230 0.000 0.795 321 P CB 0.509 31.912 31.700 -0.495 0.000 1.022 322 I N 1.107 121.600 120.570 -0.129 0.000 2.775 322 I HA -0.099 4.070 4.170 -0.000 0.000 0.290 322 I C 1.260 177.396 176.117 0.031 0.000 1.203 322 I CA 0.390 61.604 61.300 -0.143 0.000 1.433 322 I CB -0.136 37.680 38.000 -0.306 0.000 1.354 322 I HN 0.317 nan 8.210 nan 0.000 0.579 323 N N 9.308 127.997 118.700 -0.019 0.000 2.399 323 N HA 0.105 4.845 4.740 -0.000 0.000 0.259 323 N C -1.757 173.664 175.510 -0.148 0.000 1.160 323 N CA -1.791 51.238 53.050 -0.034 0.000 0.946 323 N CB 0.946 39.403 38.487 -0.049 0.000 1.156 323 N HN 0.308 nan 8.380 nan 0.000 0.489 324 P HA 0.072 nan 4.420 nan 0.000 0.257 324 P C 0.590 177.875 177.300 -0.024 0.000 1.281 324 P CA 0.437 63.542 63.100 0.009 0.000 0.826 324 P CB 0.085 31.821 31.700 0.060 0.000 1.237 325 T N -3.442 110.885 114.554 -0.377 0.000 3.040 325 T HA 0.230 4.579 4.350 -0.000 0.000 0.250 325 T C 0.638 175.196 174.700 -0.237 0.000 1.058 325 T CA -0.099 61.545 62.100 -0.760 0.000 0.988 325 T CB -0.383 67.885 68.868 -1.000 0.000 0.993 325 T HN -0.058 nan 8.240 nan 0.000 0.519 326 L N 1.882 123.059 121.223 -0.077 0.000 2.307 326 L HA 0.483 4.823 4.340 -0.000 0.000 0.282 326 L C 1.258 178.211 176.870 0.138 0.000 1.051 326 L CA -0.790 54.056 54.840 0.012 0.000 0.804 326 L CB 1.026 43.062 42.059 -0.039 0.000 1.197 326 L HN 0.071 nan 8.230 nan 0.000 0.431 327 N N 0.489 119.296 118.700 0.180 0.000 2.309 327 N HA -0.140 4.600 4.740 -0.000 0.000 0.182 327 N C 1.443 177.068 175.510 0.191 0.000 1.018 327 N CA 1.558 54.758 53.050 0.250 0.000 0.876 327 N CB 0.220 38.820 38.487 0.189 0.000 0.972 327 N HN 0.804 nan 8.380 nan 0.000 0.434 328 T N -1.687 112.931 114.554 0.106 0.000 2.881 328 T HA -0.073 4.277 4.350 -0.000 0.000 0.270 328 T C 1.983 176.726 174.700 0.072 0.000 1.068 328 T CA 1.219 63.371 62.100 0.087 0.000 1.131 328 T CB -0.567 68.322 68.868 0.034 0.000 0.871 328 T HN 0.012 nan 8.240 nan 0.000 0.479 329 T N 1.320 115.855 114.554 -0.032 0.000 2.643 329 T HA -0.062 4.287 4.350 -0.000 0.000 0.264 329 T C 1.527 176.207 174.700 -0.033 0.000 1.045 329 T CA 1.587 63.606 62.100 -0.134 0.000 1.155 329 T CB -0.589 68.037 68.868 -0.404 0.000 0.863 329 T HN 0.526 nan 8.240 nan 0.000 0.420 330 Y N 1.064 121.484 120.300 0.199 0.000 2.373 330 Y HA 0.013 4.563 4.550 -0.001 0.000 0.293 330 Y C 2.931 178.937 175.900 0.177 0.000 1.129 330 Y CA 0.638 58.841 58.100 0.172 0.000 1.226 330 Y CB -0.700 37.825 38.460 0.109 0.000 1.000 330 Y HN 0.208 nan 8.280 nan 0.000 0.549 331 S N -0.157 115.722 115.700 0.299 0.000 2.387 331 S HA -0.205 4.265 4.470 -0.000 0.000 0.226 331 S C 2.003 176.775 174.600 0.287 0.000 1.026 331 S CA 0.924 59.276 58.200 0.253 0.000 0.972 331 S CB -0.690 62.639 63.200 0.215 0.000 0.814 331 S HN 0.450 nan 8.310 nan 0.000 0.477 332 F N 2.126 122.154 119.950 0.130 0.000 2.113 332 F HA 0.090 4.617 4.527 -0.001 0.000 0.297 332 F C 1.792 177.689 175.800 0.161 0.000 1.103 332 F CA 1.497 59.549 58.000 0.086 0.000 1.248 332 F CB -0.458 38.455 39.000 -0.146 0.000 0.999 332 F HN 0.190 nan 8.300 nan 0.000 0.475 333 L N -0.169 121.132 121.223 0.131 0.000 2.083 333 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 333 L C 2.383 179.403 176.870 0.250 0.000 1.083 333 L CA 1.688 56.605 54.840 0.128 0.000 0.752 333 L CB -1.205 41.074 42.059 0.366 0.000 0.899 333 L HN 0.205 nan 8.230 nan 0.000 0.433 334 T N -1.087 113.614 114.554 0.244 0.000 2.643 334 T HA -0.195 4.155 4.350 -0.000 0.000 0.264 334 T C 1.922 176.723 174.700 0.169 0.000 1.045 334 T CA 2.079 64.308 62.100 0.216 0.000 1.155 334 T CB -0.283 68.692 68.868 0.177 0.000 0.863 334 T HN 0.339 nan 8.240 nan 0.000 0.420 335 T N 1.722 116.371 114.554 0.160 0.000 2.684 335 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 335 T C 1.566 176.331 174.700 0.109 0.000 1.036 335 T CA 1.193 63.371 62.100 0.130 0.000 1.148 335 T CB -0.540 68.450 68.868 0.205 0.000 0.863 335 T HN 0.333 nan 8.240 nan 0.000 0.436 336 F N 1.125 121.042 119.950 -0.056 0.000 2.051 336 F HA -0.071 4.455 4.527 -0.001 0.000 0.296 336 F C 1.758 177.400 175.800 -0.262 0.000 1.122 336 F CA 1.280 59.138 58.000 -0.236 0.000 1.201 336 F CB -0.480 38.064 39.000 -0.760 0.000 0.978 336 F HN 0.074 nan 8.300 nan 0.000 0.472 337 F N 0.792 120.746 119.950 0.007 0.000 2.293 337 F HA -0.095 4.432 4.527 -0.000 0.000 0.300 337 F C 2.354 178.078 175.800 -0.126 0.000 1.086 337 F CA 1.465 59.409 58.000 -0.093 0.000 1.375 337 F CB -0.923 38.104 39.000 0.046 0.000 1.045 337 F HN -0.053 nan 8.300 nan 0.000 0.516 338 K N 0.647 121.092 120.400 0.074 0.000 2.026 338 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 338 K C 2.174 178.742 176.600 -0.053 0.000 1.048 338 K CA 1.667 57.963 56.287 0.016 0.000 0.929 338 K CB -0.276 32.234 32.500 0.016 0.000 0.713 338 K HN 0.255 nan 8.250 nan 0.000 0.439 339 E N 0.152 120.273 120.200 -0.131 0.000 2.085 339 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 339 E C 1.796 178.301 176.600 -0.158 0.000 0.994 339 E CA 1.371 57.672 56.400 -0.165 0.000 0.801 339 E CB 0.021 29.583 29.700 -0.230 0.000 0.743 339 E HN 0.255 nan 8.360 nan 0.000 0.453 340 I N 1.491 121.909 120.570 -0.253 0.000 2.286 340 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 340 I C 2.712 178.869 176.117 0.066 0.000 1.115 340 I CA 1.515 62.744 61.300 -0.118 0.000 1.392 340 I CB -1.569 36.265 38.000 -0.277 0.000 1.065 340 I HN 0.196 nan 8.210 nan 0.000 0.418 341 S N 0.165 115.881 115.700 0.027 0.000 2.469 341 S HA -0.150 4.320 4.470 -0.000 0.000 0.238 341 S C 1.638 176.240 174.600 0.003 0.000 0.998 341 S CA 1.036 59.251 58.200 0.025 0.000 0.957 341 S CB -0.324 62.880 63.200 0.008 0.000 0.764 341 S HN 0.570 nan 8.310 nan 0.000 0.514 342 E N 0.333 120.523 120.200 -0.016 0.000 2.162 342 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 342 E C 2.051 178.611 176.600 -0.066 0.000 0.953 342 E CA 0.606 56.983 56.400 -0.037 0.000 0.849 342 E CB -0.058 29.616 29.700 -0.043 0.000 0.810 342 E HN 0.340 nan 8.360 nan 0.000 0.470 343 V N 0.916 120.780 119.914 -0.083 0.000 2.307 343 V HA -0.139 3.981 4.120 -0.000 0.000 0.245 343 V C 0.527 176.396 176.094 -0.376 0.000 1.045 343 V CA 1.284 63.450 62.300 -0.224 0.000 1.024 343 V CB -0.193 31.477 31.823 -0.254 0.000 0.651 343 V HN 0.087 nan 8.190 nan 0.000 0.449 344 F N 1.350 121.255 119.950 -0.075 0.000 2.361 344 F HA 0.379 4.906 4.527 -0.000 0.000 0.364 344 F C -1.150 174.553 175.800 -0.162 0.000 1.120 344 F CA -2.184 55.760 58.000 -0.094 0.000 1.102 344 F CB 1.005 39.983 39.000 -0.036 0.000 1.183 344 F HN 0.044 nan 8.300 nan 0.000 0.476 345 P HA -0.105 nan 4.420 nan 0.000 0.229 345 P C 0.097 177.296 177.300 -0.167 0.000 1.160 345 P CA 0.515 63.427 63.100 -0.313 0.000 0.777 345 P CB 0.095 31.235 31.700 -0.933 0.000 0.814 346 D N 0.016 120.376 120.400 -0.066 0.000 2.478 346 D HA -0.070 4.570 4.640 -0.000 0.000 0.234 346 D C 1.556 177.862 176.300 0.010 0.000 1.154 346 D CA 0.385 54.398 54.000 0.021 0.000 0.874 346 D CB 0.633 41.486 40.800 0.089 0.000 1.198 346 D HN 0.017 nan 8.370 nan 0.000 0.455 347 Q N 1.231 121.032 119.800 0.003 0.000 2.226 347 Q HA -0.073 4.266 4.340 -0.000 0.000 0.204 347 Q C -0.074 175.708 176.000 -0.363 0.000 0.975 347 Q CA 0.818 56.506 55.803 -0.191 0.000 0.866 347 Q CB 0.080 28.649 28.738 -0.281 0.000 0.915 347 Q HN 0.476 nan 8.270 nan 0.000 0.440 348 F N -0.241 119.686 119.950 -0.039 0.000 2.458 348 F HA 0.476 5.003 4.527 0.000 0.000 0.330 348 F C -0.026 175.725 175.800 -0.080 0.000 1.082 348 F CA -0.908 57.050 58.000 -0.069 0.000 0.995 348 F CB 1.244 40.197 39.000 -0.077 0.000 1.170 348 F HN -0.197 nan 8.300 nan 0.000 0.478 349 I N 2.190 122.806 120.570 0.077 0.000 2.498 349 I HA 0.214 4.383 4.170 -0.000 0.000 0.290 349 I C -0.832 175.288 176.117 0.005 0.000 1.032 349 I CA -0.776 60.537 61.300 0.021 0.000 1.073 349 I CB 1.764 39.757 38.000 -0.012 0.000 1.251 349 I HN 0.509 nan 8.210 nan 0.000 0.426 350 H N 6.906 125.926 119.070 -0.084 0.000 2.652 350 H HA 0.336 4.891 4.556 -0.001 0.000 0.298 350 H C 0.211 175.537 175.328 -0.004 0.000 1.076 350 H CA 0.036 55.997 56.048 -0.145 0.000 1.360 350 H CB 1.489 31.070 29.762 -0.302 0.000 1.421 350 H HN 0.589 nan 8.280 nan 0.000 0.464 351 L N 4.123 125.428 121.223 0.137 0.000 2.567 351 L HA 0.133 4.473 4.340 -0.000 0.000 0.225 351 L C 1.771 178.857 176.870 0.359 0.000 1.119 351 L CA 0.530 55.502 54.840 0.220 0.000 0.871 351 L CB -0.031 42.057 42.059 0.049 0.000 1.036 351 L HN 0.934 nan 8.230 nan 0.000 0.459 352 G N 0.814 109.900 108.800 0.478 0.000 2.609 352 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.288 352 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.288 352 G C 0.847 176.110 174.900 0.605 0.000 1.211 352 G CA 0.021 45.474 45.100 0.589 0.000 0.963 352 G HN 0.779 nan 8.290 nan 0.000 0.541 353 G N -0.052 109.057 108.800 0.515 0.000 2.141 353 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.242 353 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.242 353 G C 0.185 175.334 174.900 0.416 0.000 0.982 353 G CA 1.343 46.699 45.100 0.426 0.000 0.662 353 G HN 2.070 nan 8.290 nan 0.000 0.527 354 D N 0.425 121.080 120.400 0.426 0.000 2.313 354 D HA 0.361 5.001 4.640 -0.000 0.000 0.247 354 D C 0.643 177.036 176.300 0.154 0.000 1.094 354 D CA -0.004 54.126 54.000 0.216 0.000 0.925 354 D CB 0.385 40.989 40.800 -0.327 0.000 1.188 354 D HN 0.493 nan 8.370 nan 0.000 0.430 355 E N -0.890 119.378 120.200 0.113 0.000 2.238 355 E HA -0.165 4.185 4.350 -0.000 0.000 0.219 355 E C -0.484 176.009 176.600 -0.178 0.000 1.275 355 E CA 0.032 56.423 56.400 -0.014 0.000 0.714 355 E CB -1.181 28.520 29.700 0.000 0.000 1.154 355 E HN 0.278 nan 8.360 nan 0.000 0.363 356 V N 1.450 121.234 119.914 -0.217 0.000 2.479 356 V HA -0.022 4.098 4.120 -0.000 0.000 0.281 356 V C 0.877 176.544 176.094 -0.712 0.000 1.031 356 V CA 0.608 62.662 62.300 -0.410 0.000 1.038 356 V CB 0.878 32.517 31.823 -0.306 0.000 0.981 356 V HN 0.200 nan 8.190 nan 0.000 0.478 357 E N 3.862 123.673 120.200 -0.649 0.000 2.229 357 E HA 0.273 4.623 4.350 -0.000 0.000 0.283 357 E C -0.304 175.916 176.600 -0.634 0.000 1.030 357 E CA -0.317 55.720 56.400 -0.605 0.000 0.836 357 E CB 0.830 30.289 29.700 -0.402 0.000 1.068 357 E HN 0.585 nan 8.360 nan 0.000 0.401 358 F N 1.753 121.496 119.950 -0.346 0.000 2.619 358 F HA 0.044 4.571 4.527 -0.001 0.000 0.293 358 F C 1.751 177.335 175.800 -0.360 0.000 1.119 358 F CA 0.027 57.798 58.000 -0.381 0.000 1.445 358 F CB -0.120 38.776 39.000 -0.174 0.000 1.119 358 F HN 0.267 nan 8.300 nan 0.000 0.573 359 K N 0.011 120.358 120.400 -0.088 0.000 2.127 359 K HA -0.229 4.090 4.320 -0.000 0.000 0.208 359 K C 2.342 178.900 176.600 -0.069 0.000 1.047 359 K CA 1.329 57.574 56.287 -0.070 0.000 0.927 359 K CB -1.463 31.000 32.500 -0.062 0.000 0.716 359 K HN 0.357 nan 8.250 nan 0.000 0.450 360 c N -0.235 118.307 118.600 -0.097 0.000 2.466 360 c HA -0.055 4.515 4.570 -0.000 0.000 0.278 360 c C 2.386 176.534 174.090 0.097 0.000 1.288 360 c CA -0.068 56.249 56.329 -0.020 0.000 1.722 360 c CB -1.008 41.461 42.510 -0.069 0.000 2.017 360 c HN 0.528 nan 8.230 nan 0.000 0.488 361 W N 1.059 122.260 121.300 -0.165 0.000 2.381 361 W HA -0.020 4.639 4.660 -0.000 0.000 0.301 361 W C 2.508 178.817 176.519 -0.351 0.000 1.205 361 W CA 1.286 58.488 57.345 -0.239 0.000 1.285 361 W CB -1.392 27.864 29.460 -0.339 0.000 1.133 361 W HN 0.483 nan 8.180 nan 0.000 0.521 362 E N 0.396 120.382 120.200 -0.358 0.000 2.085 362 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 362 E C 2.045 178.670 176.600 0.042 0.000 0.994 362 E CA 2.124 58.423 56.400 -0.169 0.000 0.801 362 E CB -0.216 29.413 29.700 -0.118 0.000 0.743 362 E HN 0.174 nan 8.360 nan 0.000 0.453 363 S N 0.012 115.728 115.700 0.027 0.000 2.603 363 S HA -0.001 4.469 4.470 -0.000 0.000 0.220 363 S C 0.705 175.301 174.600 -0.007 0.000 0.967 363 S CA -0.281 57.939 58.200 0.034 0.000 0.920 363 S CB -0.082 63.160 63.200 0.070 0.000 0.773 363 S HN 0.109 nan 8.310 nan 0.000 0.529 364 N N 2.262 120.990 118.700 0.047 0.000 2.426 364 N HA 0.286 5.026 4.740 -0.000 0.000 0.275 364 N C -2.264 173.214 175.510 -0.052 0.000 1.019 364 N CA -1.839 51.224 53.050 0.022 0.000 0.941 364 N CB 1.910 40.502 38.487 0.175 0.000 1.123 364 N HN -0.009 nan 8.380 nan 0.000 0.486 365 P HA -0.023 nan 4.420 nan 0.000 0.217 365 P C 0.866 178.157 177.300 -0.014 0.000 1.151 365 P CA 1.104 64.137 63.100 -0.111 0.000 0.828 365 P CB 0.504 32.098 31.700 -0.177 0.000 0.788 366 K N -0.422 119.988 120.400 0.016 0.000 2.148 366 K HA -0.006 4.314 4.320 -0.000 0.000 0.204 366 K C 1.998 178.639 176.600 0.068 0.000 1.050 366 K CA 1.038 57.352 56.287 0.045 0.000 0.942 366 K CB -1.101 31.430 32.500 0.051 0.000 0.724 366 K HN 0.148 nan 8.250 nan 0.000 0.446 367 I N 0.216 120.827 120.570 0.068 0.000 2.286 367 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 367 I C 2.099 178.318 176.117 0.171 0.000 1.104 367 I CA 1.030 62.386 61.300 0.095 0.000 1.397 367 I CB -0.203 37.832 38.000 0.059 0.000 1.072 367 I HN 0.204 nan 8.210 nan 0.000 0.417 368 Q N 0.693 120.580 119.800 0.145 0.000 2.112 368 Q HA -0.257 4.083 4.340 -0.000 0.000 0.206 368 Q C 1.772 177.801 176.000 0.047 0.000 0.987 368 Q CA 1.900 57.772 55.803 0.115 0.000 0.858 368 Q CB -0.127 28.654 28.738 0.072 0.000 0.905 368 Q HN 0.475 nan 8.270 nan 0.000 0.420 369 D N -0.052 120.374 120.400 0.044 0.000 2.084 369 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 369 D C 1.499 177.797 176.300 -0.004 0.000 0.990 369 D CA 0.880 54.887 54.000 0.012 0.000 0.826 369 D CB -0.417 40.398 40.800 0.024 0.000 0.971 369 D HN 0.148 nan 8.370 nan 0.000 0.453 370 F N 1.051 120.941 119.950 -0.100 0.000 2.161 370 F HA -0.220 4.307 4.527 -0.001 0.000 0.300 370 F C 2.259 177.911 175.800 -0.247 0.000 1.089 370 F CA 1.176 59.079 58.000 -0.162 0.000 1.282 370 F CB -0.070 38.847 39.000 -0.139 0.000 1.010 370 F HN -0.162 nan 8.300 nan 0.000 0.485 371 M N 0.748 120.310 119.600 -0.064 0.000 2.080 371 M HA -0.216 4.264 4.480 -0.000 0.000 0.260 371 M C 2.316 178.403 176.300 -0.355 0.000 1.068 371 M CA 2.173 57.360 55.300 -0.188 0.000 1.109 371 M CB -1.211 31.333 32.600 -0.092 0.000 1.342 371 M HN 0.299 nan 8.290 nan 0.000 0.405 372 R N -0.199 120.146 120.500 -0.259 0.000 2.193 372 R HA -0.051 4.289 4.340 -0.000 0.000 0.213 372 R C 1.773 177.874 176.300 -0.332 0.000 1.055 372 R CA 0.831 56.780 56.100 -0.252 0.000 0.995 372 R CB -0.624 29.583 30.300 -0.154 0.000 0.893 372 R HN 0.434 nan 8.270 nan 0.000 0.459 373 Q N 0.895 120.450 119.800 -0.407 0.000 2.248 373 Q HA -0.071 4.269 4.340 -0.000 0.000 0.208 373 Q C 0.728 176.403 176.000 -0.542 0.000 0.984 373 Q CA 1.421 56.959 55.803 -0.442 0.000 0.875 373 Q CB 0.135 28.575 28.738 -0.496 0.000 0.910 373 Q HN 0.372 nan 8.270 nan 0.000 0.433 374 K N -1.343 118.590 120.400 -0.778 0.000 2.706 374 K HA 0.176 4.496 4.320 -0.000 0.000 0.203 374 K C -0.059 176.096 176.600 -0.741 0.000 1.102 374 K CA 0.305 56.121 56.287 -0.785 0.000 1.058 374 K CB 1.565 33.479 32.500 -0.977 0.000 0.779 374 K HN 0.226 nan 8.250 nan 0.000 0.483 375 G N 1.458 109.955 108.800 -0.505 0.000 2.246 375 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.273 375 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.273 375 G C 0.245 175.112 174.900 -0.056 0.000 1.055 375 G CA -0.103 44.851 45.100 -0.244 0.000 0.851 375 G HN 0.298 nan 8.290 nan 0.000 0.500 376 F N 0.646 120.466 119.950 -0.218 0.000 2.811 376 F HA 0.349 4.876 4.527 -0.000 0.000 0.301 376 F C 2.251 177.900 175.800 -0.251 0.000 1.151 376 F CA 0.374 58.239 58.000 -0.225 0.000 1.412 376 F CB -0.683 38.162 39.000 -0.258 0.000 1.113 376 F HN 0.812 nan 8.300 nan 0.000 0.579 377 G N 1.180 109.938 108.800 -0.070 0.000 2.596 377 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.304 377 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.304 377 G C 0.985 175.770 174.900 -0.193 0.000 1.189 377 G CA 1.082 46.116 45.100 -0.110 0.000 0.986 377 G HN 0.455 nan 8.290 nan 0.000 0.548 378 T N -2.252 112.187 114.554 -0.191 0.000 3.174 378 T HA 0.438 4.788 4.350 -0.000 0.000 0.269 378 T C 0.121 174.622 174.700 -0.331 0.000 1.017 378 T CA 1.017 62.967 62.100 -0.249 0.000 0.899 378 T CB 0.651 69.481 68.868 -0.062 0.000 1.077 378 T HN 0.531 nan 8.240 nan 0.000 0.552 379 D N 0.858 121.055 120.400 -0.337 0.000 2.456 379 D HA 0.309 4.948 4.640 -0.000 0.000 0.219 379 D C 0.014 176.063 176.300 -0.419 0.000 1.126 379 D CA -1.305 52.537 54.000 -0.263 0.000 0.890 379 D CB -0.068 40.640 40.800 -0.153 0.000 1.025 379 D HN 0.170 nan 8.370 nan 0.000 0.511 380 F N 1.999 121.754 119.950 -0.324 0.000 2.661 380 F HA 0.072 4.599 4.527 -0.001 0.000 0.298 380 F C 2.142 177.553 175.800 -0.649 0.000 1.137 380 F CA 0.436 58.088 58.000 -0.580 0.000 1.454 380 F CB 0.050 38.493 39.000 -0.929 0.000 1.103 380 F HN 0.273 nan 8.300 nan 0.000 0.577 381 K N 0.398 120.636 120.400 -0.269 0.000 2.147 381 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 381 K C 1.901 178.483 176.600 -0.029 0.000 1.049 381 K CA 1.195 57.498 56.287 0.026 0.000 0.936 381 K CB -0.122 32.428 32.500 0.084 0.000 0.722 381 K HN 0.211 nan 8.250 nan 0.000 0.446 382 K N 0.429 120.696 120.400 -0.221 0.000 2.148 382 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 382 K C 1.940 178.229 176.600 -0.518 0.000 1.050 382 K CA 0.644 56.638 56.287 -0.488 0.000 0.942 382 K CB 0.002 31.988 32.500 -0.857 0.000 0.724 382 K HN 0.012 nan 8.250 nan 0.000 0.446 383 L N 1.495 122.592 121.223 -0.209 0.000 2.131 383 L HA -0.079 4.261 4.340 -0.000 0.000 0.206 383 L C 2.166 179.219 176.870 0.305 0.000 1.087 383 L CA 1.645 56.544 54.840 0.097 0.000 0.767 383 L CB -0.238 41.888 42.059 0.112 0.000 0.917 383 L HN 0.135 nan 8.230 nan 0.000 0.441 384 E N -0.990 119.472 120.200 0.437 0.000 2.051 384 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 384 E C 2.050 178.913 176.600 0.438 0.000 0.991 384 E CA 1.437 58.209 56.400 0.620 0.000 0.799 384 E CB -0.008 30.094 29.700 0.669 0.000 0.748 384 E HN 0.542 nan 8.360 nan 0.000 0.449 385 S N 0.359 116.215 115.700 0.259 0.000 2.359 385 S HA -0.177 4.292 4.470 -0.000 0.000 0.224 385 S C 1.549 176.262 174.600 0.189 0.000 1.035 385 S CA 1.305 59.605 58.200 0.168 0.000 1.018 385 S CB -0.544 62.687 63.200 0.051 0.000 0.876 385 S HN 0.414 nan 8.310 nan 0.000 0.448 386 F N 1.345 121.341 119.950 0.075 0.000 2.091 386 F HA -0.228 4.298 4.527 -0.001 0.000 0.299 386 F C 2.145 178.073 175.800 0.213 0.000 1.103 386 F CA 1.704 59.791 58.000 0.146 0.000 1.228 386 F CB -0.642 38.516 39.000 0.264 0.000 0.984 386 F HN 0.267 nan 8.300 nan 0.000 0.477 387 Y N 0.363 120.830 120.300 0.277 0.000 2.145 387 Y HA -0.226 4.324 4.550 -0.001 0.000 0.286 387 Y C 2.247 178.244 175.900 0.163 0.000 1.145 387 Y CA 2.084 60.344 58.100 0.268 0.000 1.148 387 Y CB -0.777 37.914 38.460 0.385 0.000 0.981 387 Y HN 0.164 nan 8.280 nan 0.000 0.507 388 I N 0.445 121.102 120.570 0.145 0.000 2.315 388 I HA -0.326 3.844 4.170 -0.000 0.000 0.248 388 I C 2.381 178.436 176.117 -0.104 0.000 1.117 388 I CA 1.577 62.891 61.300 0.022 0.000 1.404 388 I CB -0.378 37.738 38.000 0.193 0.000 1.071 388 I HN 0.347 nan 8.210 nan 0.000 0.419 389 Q N -0.024 119.716 119.800 -0.100 0.000 2.124 389 Q HA -0.237 4.102 4.340 -0.000 0.000 0.202 389 Q C 2.143 178.011 176.000 -0.219 0.000 0.977 389 Q CA 1.438 57.160 55.803 -0.134 0.000 0.850 389 Q CB -0.122 28.551 28.738 -0.109 0.000 0.901 389 Q HN 0.447 nan 8.270 nan 0.000 0.429 390 K N -0.055 120.134 120.400 -0.351 0.000 2.097 390 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 390 K C 2.051 178.509 176.600 -0.237 0.000 1.050 390 K CA 1.141 57.194 56.287 -0.390 0.000 0.938 390 K CB 0.020 32.090 32.500 -0.717 0.000 0.718 390 K HN 0.082 nan 8.250 nan 0.000 0.442 391 V N 1.830 121.595 119.914 -0.249 0.000 2.379 391 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 391 V C 2.267 178.245 176.094 -0.193 0.000 1.044 391 V CA 1.297 63.484 62.300 -0.189 0.000 1.036 391 V CB -0.396 31.286 31.823 -0.235 0.000 0.664 391 V HN 0.217 nan 8.190 nan 0.000 0.453 392 L N -0.067 121.055 121.223 -0.169 0.000 2.042 392 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 392 L C 2.369 179.167 176.870 -0.121 0.000 1.076 392 L CA 1.621 56.377 54.840 -0.139 0.000 0.749 392 L CB -0.729 41.271 42.059 -0.098 0.000 0.893 392 L HN 0.337 nan 8.230 nan 0.000 0.432 393 D N 0.058 120.389 120.400 -0.115 0.000 2.144 393 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 393 D C 2.277 178.531 176.300 -0.077 0.000 0.984 393 D CA 1.247 55.192 54.000 -0.091 0.000 0.834 393 D CB -0.044 40.694 40.800 -0.102 0.000 0.955 393 D HN 0.338 nan 8.370 nan 0.000 0.465 394 I N 0.817 121.339 120.570 -0.079 0.000 2.252 394 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 394 I C 2.088 178.163 176.117 -0.069 0.000 1.102 394 I CA 0.492 61.770 61.300 -0.037 0.000 1.385 394 I CB -0.024 37.994 38.000 0.030 0.000 1.064 394 I HN -0.034 nan 8.210 nan 0.000 0.414 395 I N 1.080 121.563 120.570 -0.145 0.000 2.226 395 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 395 I C 2.845 178.896 176.117 -0.110 0.000 1.100 395 I CA 1.653 62.855 61.300 -0.163 0.000 1.374 395 I CB -1.857 36.007 38.000 -0.228 0.000 1.057 395 I HN 0.162 nan 8.210 nan 0.000 0.413 396 A N 0.365 123.129 122.820 -0.094 0.000 1.933 396 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 396 A C 2.422 179.973 177.584 -0.055 0.000 1.175 396 A CA 2.357 54.351 52.037 -0.072 0.000 0.628 396 A CB -1.130 17.837 19.000 -0.056 0.000 0.814 396 A HN 0.430 nan 8.150 nan 0.000 0.444 397 T N 0.796 115.324 114.554 -0.044 0.000 2.867 397 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 397 T C 1.547 176.232 174.700 -0.024 0.000 1.057 397 T CA 1.364 63.448 62.100 -0.027 0.000 1.136 397 T CB -0.464 68.394 68.868 -0.016 0.000 0.874 397 T HN 0.714 nan 8.240 nan 0.000 0.466 398 I N -1.188 119.365 120.570 -0.029 0.000 3.735 398 I HA 0.226 4.396 4.170 -0.000 0.000 0.310 398 I C -0.420 175.671 176.117 -0.044 0.000 1.270 398 I CA -0.092 61.192 61.300 -0.026 0.000 1.207 398 I CB -0.476 37.518 38.000 -0.011 0.000 1.013 398 I HN 0.061 nan 8.210 nan 0.000 0.452 399 N N 2.550 121.216 118.700 -0.057 0.000 2.756 399 N HA -0.122 4.618 4.740 -0.000 0.000 0.248 399 N C -0.648 174.796 175.510 -0.109 0.000 1.062 399 N CA 0.903 53.910 53.050 -0.073 0.000 0.696 399 N CB -0.701 37.755 38.487 -0.052 0.000 0.946 399 N HN 0.572 nan 8.380 nan 0.000 0.548 400 K N 0.065 120.383 120.400 -0.137 0.000 2.395 400 K HA 0.640 4.960 4.320 -0.000 0.000 0.247 400 K C 0.739 177.177 176.600 -0.270 0.000 0.973 400 K CA -0.520 55.644 56.287 -0.206 0.000 0.828 400 K CB 1.852 34.260 32.500 -0.154 0.000 1.272 400 K HN 0.153 nan 8.250 nan 0.000 0.439 401 G N 0.209 108.720 108.800 -0.481 0.000 2.451 401 G HA2 0.408 4.367 3.960 -0.000 0.000 0.303 401 G HA3 0.408 4.367 3.960 -0.000 0.000 0.303 401 G C -0.698 174.111 174.900 -0.151 0.000 1.166 401 G CA -0.232 44.581 45.100 -0.479 0.000 0.884 401 G HN 0.335 nan 8.290 nan 0.000 0.514 402 S N -0.547 115.166 115.700 0.022 0.000 2.503 402 S HA 0.630 5.100 4.470 -0.000 0.000 0.301 402 S C -0.311 174.292 174.600 0.004 0.000 1.087 402 S CA -0.375 57.823 58.200 -0.004 0.000 1.042 402 S CB 1.234 64.380 63.200 -0.089 0.000 1.043 402 S HN 0.435 nan 8.310 nan 0.000 0.489 403 I N 1.995 122.446 120.570 -0.198 0.000 2.646 403 I HA 0.663 4.833 4.170 -0.000 0.000 0.299 403 I C -0.921 174.767 176.117 -0.715 0.000 1.036 403 I CA -0.912 60.084 61.300 -0.507 0.000 1.074 403 I CB 2.003 39.563 38.000 -0.733 0.000 1.258 403 I HN 0.244 nan 8.210 nan 0.000 0.430 404 V N 3.935 123.471 119.914 -0.630 0.000 2.932 404 V HA 0.347 4.466 4.120 -0.000 0.000 0.307 404 V C -1.206 174.801 176.094 -0.144 0.000 1.147 404 V CA -0.548 61.553 62.300 -0.331 0.000 0.951 404 V CB 2.570 34.316 31.823 -0.129 0.000 1.031 404 V HN 0.645 nan 8.190 nan 0.000 0.426 405 W N 3.055 124.518 121.300 0.271 0.000 2.150 405 W HA 0.225 4.885 4.660 -0.001 0.000 0.341 405 W C 1.749 178.447 176.519 0.300 0.000 1.276 405 W CA 0.156 57.729 57.345 0.380 0.000 1.238 405 W CB 0.545 30.269 29.460 0.439 0.000 1.128 405 W HN 0.782 nan 8.180 nan 0.000 0.581 406 Q N 0.187 120.337 119.800 0.583 0.000 2.248 406 Q HA -0.293 4.047 4.340 -0.000 0.000 0.208 406 Q C 1.183 177.372 176.000 0.315 0.000 0.984 406 Q CA 2.111 58.109 55.803 0.324 0.000 0.875 406 Q CB -0.279 28.562 28.738 0.172 0.000 0.910 406 Q HN 0.630 nan 8.270 nan 0.000 0.433 407 E N 0.845 121.255 120.200 0.350 0.000 2.130 407 E HA -0.167 4.183 4.350 -0.000 0.000 0.196 407 E C 2.047 178.793 176.600 0.243 0.000 0.998 407 E CA 1.722 58.283 56.400 0.268 0.000 0.806 407 E CB -0.129 29.746 29.700 0.292 0.000 0.738 407 E HN 0.236 nan 8.360 nan 0.000 0.459 408 V N 0.455 120.531 119.914 0.270 0.000 2.332 408 V HA -0.250 3.869 4.120 -0.000 0.000 0.248 408 V C 1.908 178.098 176.094 0.160 0.000 1.055 408 V CA 1.868 64.293 62.300 0.210 0.000 1.038 408 V CB -0.459 31.478 31.823 0.190 0.000 0.651 408 V HN 0.279 nan 8.190 nan 0.000 0.450 409 F N 1.416 121.381 119.950 0.024 0.000 2.128 409 F HA -0.116 4.411 4.527 -0.000 0.000 0.295 409 F C 2.172 177.990 175.800 0.029 0.000 1.100 409 F CA 1.798 59.784 58.000 -0.023 0.000 1.260 409 F CB -0.301 38.662 39.000 -0.060 0.000 1.009 409 F HN 0.200 nan 8.300 nan 0.000 0.476 410 D N 0.133 120.588 120.400 0.093 0.000 2.178 410 D HA -0.145 4.494 4.640 -0.000 0.000 0.201 410 D C 1.174 177.451 176.300 -0.039 0.000 0.980 410 D CA 1.316 55.316 54.000 0.000 0.000 0.842 410 D CB -0.501 40.357 40.800 0.096 0.000 0.948 410 D HN 0.357 nan 8.370 nan 0.000 0.472 411 D N 0.367 120.783 120.400 0.027 0.000 2.325 411 D HA 0.044 4.684 4.640 -0.000 0.000 0.234 411 D C 0.168 176.466 176.300 -0.002 0.000 1.122 411 D CA 0.022 54.055 54.000 0.056 0.000 0.850 411 D CB -0.006 40.893 40.800 0.166 0.000 0.921 411 D HN 0.191 nan 8.370 nan 0.000 0.513 412 K N -0.886 119.454 120.400 -0.099 0.000 3.192 412 K HA -0.164 4.156 4.320 -0.000 0.000 0.278 412 K C 0.021 176.583 176.600 -0.065 0.000 1.164 412 K CA 0.435 56.648 56.287 -0.124 0.000 0.816 412 K CB -1.851 30.593 32.500 -0.092 0.000 1.256 412 K HN 0.254 nan 8.250 nan 0.000 0.497 413 A N 1.400 124.199 122.820 -0.035 0.000 2.351 413 A HA 0.305 4.625 4.320 -0.000 0.000 0.257 413 A C 0.122 177.704 177.584 -0.002 0.000 1.087 413 A CA -0.178 51.861 52.037 0.004 0.000 0.798 413 A CB 0.392 19.417 19.000 0.043 0.000 1.033 413 A HN 0.253 nan 8.150 nan 0.000 0.488 414 K N 1.598 122.010 120.400 0.019 0.000 2.267 414 K HA 0.429 4.749 4.320 -0.000 0.000 0.282 414 K C -1.139 175.489 176.600 0.048 0.000 1.078 414 K CA 0.246 56.562 56.287 0.049 0.000 0.903 414 K CB 0.540 33.069 32.500 0.049 0.000 1.111 414 K HN 0.544 nan 8.250 nan 0.000 0.475 415 L N 2.550 123.821 121.223 0.078 0.000 2.317 415 L HA 0.471 4.811 4.340 -0.000 0.000 0.281 415 L C 0.357 177.353 176.870 0.210 0.000 1.024 415 L CA -0.987 53.874 54.840 0.035 0.000 0.810 415 L CB 1.646 43.540 42.059 -0.275 0.000 1.240 415 L HN 0.608 nan 8.230 nan 0.000 0.427 416 A N 4.175 127.083 122.820 0.146 0.000 2.407 416 A HA 0.529 4.849 4.320 -0.000 0.000 0.248 416 A C -2.301 175.454 177.584 0.285 0.000 1.082 416 A CA -1.140 50.996 52.037 0.166 0.000 0.785 416 A CB -0.390 18.657 19.000 0.078 0.000 1.020 416 A HN 0.450 nan 8.150 nan 0.000 0.489 417 P HA 0.293 nan 4.420 nan 0.000 0.266 417 P C 1.038 178.443 177.300 0.175 0.000 1.195 417 P CA 1.681 64.887 63.100 0.177 0.000 0.768 417 P CB 0.739 32.466 31.700 0.045 0.000 0.838 418 G N 1.450 110.377 108.800 0.211 0.000 2.284 418 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.216 418 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.216 418 G C 0.237 175.270 174.900 0.223 0.000 1.009 418 G CA -0.103 45.109 45.100 0.186 0.000 0.625 418 G HN 0.598 nan 8.290 nan 0.000 0.501 419 T N 2.587 117.274 114.554 0.221 0.000 2.831 419 T HA 0.419 4.769 4.350 -0.000 0.000 0.291 419 T C 0.866 175.576 174.700 0.018 0.000 0.981 419 T CA 0.429 62.578 62.100 0.082 0.000 1.174 419 T CB 0.669 69.503 68.868 -0.057 0.000 0.929 419 T HN 0.373 nan 8.240 nan 0.000 0.532 420 I N 3.380 123.912 120.570 -0.064 0.000 2.428 420 I HA 0.261 4.430 4.170 -0.000 0.000 0.289 420 I C 0.092 176.055 176.117 -0.258 0.000 1.019 420 I CA -0.680 60.508 61.300 -0.188 0.000 1.351 420 I CB 1.068 38.858 38.000 -0.350 0.000 1.412 420 I HN 0.254 nan 8.210 nan 0.000 0.513 421 V N 5.792 125.557 119.914 -0.248 0.000 2.384 421 V HA 0.232 4.352 4.120 -0.000 0.000 0.287 421 V C -0.010 175.972 176.094 -0.188 0.000 1.020 421 V CA -0.633 61.533 62.300 -0.224 0.000 0.850 421 V CB 1.497 33.155 31.823 -0.276 0.000 0.987 421 V HN 0.708 nan 8.190 nan 0.000 0.436 422 E N 3.872 124.016 120.200 -0.093 0.000 2.115 422 E HA 0.438 4.787 4.350 -0.000 0.000 0.282 422 E C -1.106 175.679 176.600 0.308 0.000 0.987 422 E CA -0.469 55.957 56.400 0.043 0.000 0.797 422 E CB 1.587 31.296 29.700 0.013 0.000 1.086 422 E HN 0.505 nan 8.360 nan 0.000 0.397 423 V N 7.751 127.768 119.914 0.172 0.000 2.368 423 V HA 0.078 4.198 4.120 -0.000 0.000 0.266 423 V C 0.561 176.807 176.094 0.254 0.000 1.045 423 V CA -0.225 62.164 62.300 0.148 0.000 0.899 423 V CB 0.206 32.021 31.823 -0.013 0.000 1.006 423 V HN 0.835 nan 8.190 nan 0.000 0.470 424 W N 3.830 125.230 121.300 0.167 0.000 2.940 424 W HA 0.345 5.005 4.660 -0.000 0.000 0.297 424 W C 0.100 176.535 176.519 -0.140 0.000 1.149 424 W CA -0.694 56.702 57.345 0.085 0.000 1.564 424 W CB 0.249 29.811 29.460 0.170 0.000 1.010 424 W HN 0.319 nan 8.180 nan 0.000 0.578 425 K N 2.722 122.667 120.400 -0.759 0.000 2.312 425 K HA 0.006 4.325 4.320 -0.000 0.000 0.287 425 K C 0.372 176.780 176.600 -0.321 0.000 1.062 425 K CA -0.004 55.809 56.287 -0.790 0.000 0.934 425 K CB 1.472 33.450 32.500 -0.869 0.000 1.027 425 K HN -0.266 nan 8.250 nan 0.000 0.478 426 D N 1.290 121.543 120.400 -0.245 0.000 2.264 426 D HA -0.071 4.569 4.640 -0.000 0.000 0.208 426 D C -0.191 176.124 176.300 0.024 0.000 0.966 426 D CA 0.811 54.779 54.000 -0.052 0.000 0.864 426 D CB 0.337 41.093 40.800 -0.073 0.000 0.933 426 D HN 0.264 nan 8.370 nan 0.000 0.499 427 S N -0.228 115.427 115.700 -0.074 0.000 2.481 427 S HA 0.423 4.892 4.470 -0.000 0.000 0.276 427 S C 0.530 175.090 174.600 -0.066 0.000 1.247 427 S CA 0.163 58.322 58.200 -0.069 0.000 1.053 427 S CB 0.855 64.000 63.200 -0.092 0.000 0.925 427 S HN 0.396 nan 8.310 nan 0.000 0.491 428 A N 2.716 125.485 122.820 -0.085 0.000 2.783 428 A HA -0.246 4.074 4.320 -0.000 0.000 0.292 428 A C 0.845 178.370 177.584 -0.098 0.000 1.495 428 A CA 1.505 53.475 52.037 -0.110 0.000 0.787 428 A CB -2.554 16.404 19.000 -0.070 0.000 1.017 428 A HN 1.241 nan 8.150 nan 0.000 0.516 429 Y N -1.991 118.251 120.300 -0.096 0.000 2.224 429 Y HA 0.043 4.593 4.550 -0.000 0.000 0.289 429 Y C -0.402 175.438 175.900 -0.101 0.000 1.146 429 Y CA 1.174 59.207 58.100 -0.112 0.000 1.182 429 Y CB -1.871 36.511 38.460 -0.129 0.000 0.983 429 Y HN 0.390 nan 8.280 nan 0.000 0.524 430 P HA -0.155 nan 4.420 nan 0.000 0.215 430 P C 1.555 178.829 177.300 -0.044 0.000 1.157 430 P CA 2.113 65.140 63.100 -0.121 0.000 0.868 430 P CB -0.005 31.596 31.700 -0.164 0.000 0.788 431 E N -0.570 119.603 120.200 -0.045 0.000 2.204 431 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 431 E C 1.925 178.523 176.600 -0.003 0.000 0.990 431 E CA 0.894 57.294 56.400 0.001 0.000 0.821 431 E CB -0.306 29.392 29.700 -0.003 0.000 0.750 431 E HN 0.259 nan 8.360 nan 0.000 0.477 432 E N 0.629 120.816 120.200 -0.023 0.000 2.072 432 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 432 E C 2.366 178.899 176.600 -0.113 0.000 0.985 432 E CA 0.446 56.833 56.400 -0.021 0.000 0.801 432 E CB -0.235 29.455 29.700 -0.017 0.000 0.750 432 E HN 0.290 nan 8.360 nan 0.000 0.452 433 L N 0.515 121.603 121.223 -0.225 0.000 2.042 433 L HA -0.205 4.134 4.340 -0.000 0.000 0.210 433 L C 2.550 179.151 176.870 -0.448 0.000 1.076 433 L CA 1.168 55.691 54.840 -0.527 0.000 0.749 433 L CB -0.476 40.934 42.059 -1.081 0.000 0.893 433 L HN 0.014 nan 8.230 nan 0.000 0.432 434 S N -0.448 115.147 115.700 -0.174 0.000 2.353 434 S HA -0.188 4.282 4.470 -0.000 0.000 0.222 434 S C 2.067 176.722 174.600 0.092 0.000 1.035 434 S CA 1.264 59.543 58.200 0.132 0.000 1.025 434 S CB -0.263 63.056 63.200 0.198 0.000 0.902 434 S HN 0.336 nan 8.310 nan 0.000 0.440 435 R N 0.374 120.921 120.500 0.078 0.000 2.083 435 R HA -0.082 4.258 4.340 -0.000 0.000 0.237 435 R C 2.301 178.680 176.300 0.131 0.000 1.137 435 R CA 1.487 57.689 56.100 0.170 0.000 0.951 435 R CB -0.794 29.667 30.300 0.270 0.000 0.851 435 R HN 0.256 nan 8.270 nan 0.000 0.434 436 V N 0.849 120.667 119.914 -0.160 0.000 2.295 436 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 436 V C 2.601 178.624 176.094 -0.118 0.000 1.049 436 V CA 2.402 64.401 62.300 -0.501 0.000 1.024 436 V CB -0.820 30.667 31.823 -0.560 0.000 0.648 436 V HN 0.612 nan 8.190 nan 0.000 0.447 437 T N -1.107 113.425 114.554 -0.036 0.000 2.812 437 T HA -0.075 4.274 4.350 -0.000 0.000 0.264 437 T C 1.985 176.728 174.700 0.072 0.000 1.042 437 T CA 1.287 63.420 62.100 0.056 0.000 1.140 437 T CB -0.560 68.407 68.868 0.166 0.000 0.870 437 T HN 0.454 nan 8.240 nan 0.000 0.445 438 A N 1.814 124.695 122.820 0.101 0.000 1.948 438 A HA -0.058 4.262 4.320 -0.000 0.000 0.220 438 A C 2.540 180.172 177.584 0.079 0.000 1.177 438 A CA 1.931 54.027 52.037 0.097 0.000 0.636 438 A CB -1.096 17.975 19.000 0.118 0.000 0.815 438 A HN 0.538 nan 8.150 nan 0.000 0.449 439 S N -1.691 114.087 115.700 0.129 0.000 2.607 439 S HA 0.327 4.796 4.470 -0.000 0.000 0.224 439 S C 1.439 175.917 174.600 -0.204 0.000 0.969 439 S CA 0.958 59.233 58.200 0.124 0.000 0.927 439 S CB -0.112 63.395 63.200 0.511 0.000 0.772 439 S HN 1.626 nan 8.310 nan 0.000 0.533 440 G N 0.649 109.325 108.800 -0.207 0.000 2.175 440 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 440 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 440 G C -0.072 174.585 174.900 -0.405 0.000 0.982 440 G CA -0.450 44.451 45.100 -0.333 0.000 0.641 440 G HN 0.422 nan 8.290 nan 0.000 0.527 441 F N 2.126 122.063 119.950 -0.021 0.000 2.385 441 F HA 0.555 5.082 4.527 -0.001 0.000 0.336 441 F C -1.585 174.164 175.800 -0.086 0.000 1.100 441 F CA -2.673 55.291 58.000 -0.060 0.000 1.116 441 F CB 1.095 40.025 39.000 -0.116 0.000 1.166 441 F HN -0.174 nan 8.300 nan 0.000 0.511 442 P HA 0.128 nan 4.420 nan 0.000 0.268 442 P C -0.826 176.414 177.300 -0.099 0.000 1.205 442 P CA -0.012 63.089 63.100 0.002 0.000 0.771 442 P CB 1.324 33.016 31.700 -0.015 0.000 0.858 443 V N 4.586 124.386 119.914 -0.189 0.000 2.735 443 V HA 0.541 4.661 4.120 -0.000 0.000 0.310 443 V C -0.777 174.986 176.094 -0.551 0.000 1.061 443 V CA -1.035 61.073 62.300 -0.319 0.000 0.913 443 V CB 1.705 33.362 31.823 -0.277 0.000 1.005 443 V HN 0.318 nan 8.190 nan 0.000 0.428 444 I N 5.876 126.142 120.570 -0.507 0.000 2.474 444 I HA 0.449 4.618 4.170 -0.000 0.000 0.294 444 I C -1.032 174.875 176.117 -0.351 0.000 1.005 444 I CA -0.797 60.170 61.300 -0.556 0.000 1.113 444 I CB 1.916 39.605 38.000 -0.518 0.000 1.289 444 I HN 0.459 nan 8.210 nan 0.000 0.436 445 L N 5.824 126.873 121.223 -0.290 0.000 2.282 445 L HA 0.422 4.762 4.340 -0.000 0.000 0.288 445 L C 0.686 177.669 176.870 0.189 0.000 1.033 445 L CA 0.600 55.420 54.840 -0.033 0.000 0.807 445 L CB 1.544 43.645 42.059 0.071 0.000 1.209 445 L HN 0.718 nan 8.230 nan 0.000 0.423 446 S N 2.683 118.510 115.700 0.212 0.000 2.628 446 S HA 0.222 4.692 4.470 -0.000 0.000 0.246 446 S C 1.614 176.392 174.600 0.297 0.000 1.062 446 S CA 0.259 58.707 58.200 0.413 0.000 1.028 446 S CB -0.093 63.471 63.200 0.606 0.000 0.985 446 S HN 0.712 nan 8.310 nan 0.000 0.551 447 A N 3.537 126.335 122.820 -0.037 0.000 1.896 447 A HA -0.035 4.285 4.320 -0.000 0.000 0.220 447 A C -0.180 177.211 177.584 -0.321 0.000 1.206 447 A CA 2.229 54.101 52.037 -0.274 0.000 0.647 447 A CB -1.927 16.781 19.000 -0.485 0.000 0.828 447 A HN 0.630 nan 8.150 nan 0.000 0.455 448 P HA 0.037 nan 4.420 nan 0.000 0.255 448 P C -0.371 176.884 177.300 -0.075 0.000 1.248 448 P CA 0.310 63.188 63.100 -0.369 0.000 0.807 448 P CB 0.077 31.378 31.700 -0.666 0.000 1.150 449 W N -0.267 121.136 121.300 0.172 0.000 1.639 449 W HA 0.297 4.956 4.660 -0.002 0.000 0.307 449 W C -0.702 175.874 176.519 0.095 0.000 0.809 449 W CA -0.845 56.499 57.345 -0.001 0.000 2.583 449 W CB -0.485 28.969 29.460 -0.010 0.000 2.213 449 W HN -0.106 nan 8.180 nan 0.000 0.549 450 Y N 1.607 121.996 120.300 0.149 0.000 2.650 450 Y HA 0.160 4.710 4.550 -0.001 0.000 0.343 450 Y C 1.480 177.448 175.900 0.113 0.000 1.078 450 Y CA -0.232 57.965 58.100 0.161 0.000 1.356 450 Y CB 0.195 38.788 38.460 0.222 0.000 1.204 450 Y HN -0.028 nan 8.280 nan 0.000 0.508 451 L N 1.738 122.964 121.223 0.005 0.000 2.376 451 L HA -0.130 4.210 4.340 -0.000 0.000 0.219 451 L C 1.822 178.736 176.870 0.074 0.000 1.133 451 L CA 0.895 55.731 54.840 -0.006 0.000 0.816 451 L CB -0.171 41.785 42.059 -0.172 0.000 0.933 451 L HN 0.570 nan 8.230 nan 0.000 0.449 452 D N 0.959 121.409 120.400 0.082 0.000 2.219 452 D HA -0.169 4.470 4.640 -0.000 0.000 0.205 452 D C 1.119 177.547 176.300 0.213 0.000 0.970 452 D CA 0.605 54.697 54.000 0.154 0.000 0.851 452 D CB -0.228 40.693 40.800 0.202 0.000 0.943 452 D HN 0.299 nan 8.370 nan 0.000 0.488 453 L N 2.451 123.832 121.223 0.263 0.000 2.395 453 L HA 0.256 4.596 4.340 -0.000 0.000 0.268 453 L C 0.634 177.640 176.870 0.227 0.000 1.223 453 L CA -0.639 54.348 54.840 0.245 0.000 1.093 453 L CB -0.389 41.838 42.059 0.281 0.000 1.349 453 L HN 0.058 nan 8.230 nan 0.000 0.427 454 I N -0.035 120.637 120.570 0.170 0.000 2.882 454 I HA 0.557 4.727 4.170 -0.000 0.000 0.286 454 I C 0.552 176.747 176.117 0.130 0.000 1.139 454 I CA 0.087 61.480 61.300 0.154 0.000 1.379 454 I CB 1.285 39.355 38.000 0.116 0.000 1.410 454 I HN 0.512 nan 8.210 nan 0.000 0.594 455 S N 3.040 118.818 115.700 0.130 0.000 2.615 455 S HA 0.393 4.863 4.470 -0.000 0.000 0.269 455 S C -0.986 173.703 174.600 0.149 0.000 1.161 455 S CA -0.874 57.402 58.200 0.127 0.000 0.817 455 S CB 0.851 64.113 63.200 0.104 0.000 1.131 455 S HN 0.748 nan 8.310 nan 0.000 0.467 456 Y N 1.924 122.251 120.300 0.044 0.000 2.411 456 Y HA 0.493 5.043 4.550 -0.000 0.000 0.333 456 Y C 0.975 176.907 175.900 0.054 0.000 1.186 456 Y CA 1.848 59.978 58.100 0.050 0.000 1.381 456 Y CB 0.062 38.545 38.460 0.040 0.000 1.273 456 Y HN 1.696 nan 8.280 nan 0.000 0.546 457 G N 4.360 112.751 108.800 -0.682 0.000 2.587 457 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.212 457 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.212 457 G C -0.857 173.951 174.900 -0.153 0.000 1.327 457 G CA -0.410 44.386 45.100 -0.506 0.000 0.898 457 G HN 0.741 nan 8.290 nan 0.000 0.551 458 Q N 1.335 121.077 119.800 -0.097 0.000 3.184 458 Q HA 0.151 4.491 4.340 -0.000 0.000 0.288 458 Q C 1.022 176.902 176.000 -0.199 0.000 1.412 458 Q CA 0.442 56.238 55.803 -0.013 0.000 0.991 458 Q CB 0.073 28.791 28.738 -0.033 0.000 1.688 458 Q HN 0.638 nan 8.270 nan 0.000 0.554 459 D N 0.563 120.902 120.400 -0.102 0.000 2.348 459 D HA -0.190 4.449 4.640 -0.000 0.000 0.216 459 D C 1.478 177.574 176.300 -0.339 0.000 0.970 459 D CA 0.173 54.021 54.000 -0.253 0.000 0.889 459 D CB -0.331 40.352 40.800 -0.196 0.000 0.912 459 D HN 0.677 nan 8.370 nan 0.000 0.524 460 W N 2.002 123.273 121.300 -0.047 0.000 2.350 460 W HA -0.109 4.551 4.660 0.000 0.000 0.289 460 W C 1.447 178.067 176.519 0.168 0.000 1.215 460 W CA 0.366 57.792 57.345 0.135 0.000 1.236 460 W CB -0.827 28.723 29.460 0.149 0.000 1.130 460 W HN -0.050 nan 8.180 nan 0.000 0.541 461 R N 1.572 121.554 120.500 -0.862 0.000 2.075 461 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 461 R C 2.461 178.649 176.300 -0.187 0.000 1.126 461 R CA 2.280 57.895 56.100 -0.808 0.000 0.963 461 R CB -0.605 29.133 30.300 -0.938 0.000 0.858 461 R HN 0.293 nan 8.270 nan 0.000 0.435 462 K N 0.147 120.418 120.400 -0.215 0.000 2.097 462 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 462 K C 1.438 178.146 176.600 0.180 0.000 1.050 462 K CA 1.431 57.677 56.287 -0.070 0.000 0.938 462 K CB -0.235 32.174 32.500 -0.151 0.000 0.718 462 K HN 0.114 nan 8.250 nan 0.000 0.442 463 Y N -0.038 120.478 120.300 0.361 0.000 2.242 463 Y HA -0.134 4.415 4.550 -0.000 0.000 0.291 463 Y C 2.364 178.657 175.900 0.655 0.000 1.137 463 Y CA 0.569 59.042 58.100 0.621 0.000 1.181 463 Y CB -1.082 37.725 38.460 0.578 0.000 0.989 463 Y HN 0.143 nan 8.280 nan 0.000 0.527 464 Y N 1.075 121.694 120.300 0.531 0.000 2.242 464 Y HA -0.118 4.430 4.550 -0.002 0.000 0.291 464 Y C 1.982 178.091 175.900 0.349 0.000 1.137 464 Y CA 1.460 59.839 58.100 0.464 0.000 1.181 464 Y CB -0.201 38.558 38.460 0.500 0.000 0.989 464 Y HN -0.040 nan 8.280 nan 0.000 0.527 465 K N -0.082 120.501 120.400 0.304 0.000 2.504 465 K HA 0.027 4.347 4.320 -0.000 0.000 0.195 465 K C 0.175 176.870 176.600 0.158 0.000 1.036 465 K CA 0.161 56.546 56.287 0.164 0.000 0.984 465 K CB -0.046 32.528 32.500 0.124 0.000 0.788 465 K HN -0.003 nan 8.250 nan 0.000 0.488 466 V N 2.495 122.569 119.914 0.267 0.000 2.599 466 V HA -0.049 4.071 4.120 -0.000 0.000 0.300 466 V C 0.196 176.421 176.094 0.219 0.000 1.034 466 V CA 0.126 62.575 62.300 0.249 0.000 1.115 466 V CB 0.893 32.897 31.823 0.301 0.000 0.934 466 V HN 0.152 nan 8.190 nan 0.000 0.485 467 E N 8.370 128.655 120.200 0.143 0.000 2.101 467 E HA 0.390 4.740 4.350 -0.000 0.000 0.260 467 E C -2.001 174.658 176.600 0.097 0.000 0.897 467 E CA -2.638 53.829 56.400 0.112 0.000 0.744 467 E CB 1.670 31.403 29.700 0.055 0.000 1.140 467 E HN 0.310 nan 8.360 nan 0.000 0.419 468 P HA -0.060 nan 4.420 nan 0.000 0.220 468 P C 0.734 177.941 177.300 -0.155 0.000 1.148 468 P CA 0.823 63.888 63.100 -0.058 0.000 0.803 468 P CB 0.260 31.817 31.700 -0.239 0.000 0.782 469 L N -0.720 120.419 121.223 -0.140 0.000 2.612 469 L HA 0.102 4.442 4.340 -0.000 0.000 0.230 469 L C 0.137 176.886 176.870 -0.201 0.000 1.140 469 L CA 0.238 54.968 54.840 -0.184 0.000 0.896 469 L CB -0.514 41.438 42.059 -0.179 0.000 1.065 469 L HN -0.176 nan 8.230 nan 0.000 0.447 470 D N 1.708 122.090 120.400 -0.029 0.000 2.619 470 D HA 0.254 4.894 4.640 -0.000 0.000 0.224 470 D C -0.252 176.093 176.300 0.074 0.000 1.133 470 D CA 0.245 54.225 54.000 -0.033 0.000 1.017 470 D CB -0.152 40.645 40.800 -0.006 0.000 1.077 470 D HN 0.094 nan 8.370 nan 0.000 0.503 471 F N -1.990 117.935 119.950 -0.042 0.000 2.664 471 F HA 0.731 5.258 4.527 0.001 0.000 0.317 471 F C 0.308 176.098 175.800 -0.017 0.000 1.108 471 F CA -1.664 56.317 58.000 -0.032 0.000 0.957 471 F CB 0.742 39.743 39.000 0.001 0.000 1.365 471 F HN -0.052 nan 8.300 nan 0.000 0.475 472 G N -0.128 108.773 108.800 0.168 0.000 2.353 472 G HA2 0.564 4.524 3.960 -0.000 0.000 0.284 472 G HA3 0.564 4.524 3.960 -0.000 0.000 0.284 472 G C -0.407 174.545 174.900 0.088 0.000 1.172 472 G CA -0.199 44.932 45.100 0.051 0.000 0.854 472 G HN 1.502 nan 8.290 nan 0.000 0.485 473 G N 0.503 109.282 108.800 -0.036 0.000 2.340 473 G HA2 0.571 4.531 3.960 -0.000 0.000 0.300 473 G HA3 0.571 4.531 3.960 -0.000 0.000 0.300 473 G C -0.185 174.686 174.900 -0.048 0.000 1.488 473 G CA 0.009 45.117 45.100 0.013 0.000 0.878 473 G HN 1.148 nan 8.290 nan 0.000 0.618 474 T N -1.394 113.159 114.554 -0.001 0.000 2.726 474 T HA 0.306 4.656 4.350 -0.000 0.000 0.294 474 T C 1.389 176.076 174.700 -0.022 0.000 1.013 474 T CA 0.393 62.485 62.100 -0.013 0.000 0.996 474 T CB 1.270 70.144 68.868 0.010 0.000 1.016 474 T HN 0.581 nan 8.240 nan 0.000 0.529 475 Q N -0.016 119.771 119.800 -0.022 0.000 2.096 475 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 475 Q C 2.370 178.380 176.000 0.017 0.000 0.982 475 Q CA 1.781 57.574 55.803 -0.016 0.000 0.850 475 Q CB -0.241 28.488 28.738 -0.014 0.000 0.901 475 Q HN 0.758 nan 8.270 nan 0.000 0.422 476 K N 0.768 121.183 120.400 0.025 0.000 2.032 476 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 476 K C 2.037 178.681 176.600 0.073 0.000 1.048 476 K CA 1.608 57.919 56.287 0.040 0.000 0.927 476 K CB 0.069 32.586 32.500 0.028 0.000 0.712 476 K HN 0.214 nan 8.250 nan 0.000 0.441 477 Q N 0.046 119.900 119.800 0.090 0.000 2.124 477 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 477 Q C 1.905 178.056 176.000 0.252 0.000 0.977 477 Q CA 1.446 57.350 55.803 0.167 0.000 0.850 477 Q CB 0.077 28.938 28.738 0.204 0.000 0.901 477 Q HN 0.258 nan 8.270 nan 0.000 0.429 478 K N 0.526 121.019 120.400 0.155 0.000 2.217 478 K HA -0.126 4.193 4.320 -0.000 0.000 0.202 478 K C 1.955 178.690 176.600 0.226 0.000 1.051 478 K CA 0.849 57.235 56.287 0.166 0.000 0.952 478 K CB 0.026 32.495 32.500 -0.052 0.000 0.736 478 K HN 0.295 nan 8.250 nan 0.000 0.453 479 Q N 0.686 120.579 119.800 0.155 0.000 2.224 479 Q HA -0.035 4.305 4.340 -0.000 0.000 0.203 479 Q C 1.931 178.039 176.000 0.181 0.000 0.970 479 Q CA 0.773 56.665 55.803 0.148 0.000 0.865 479 Q CB -0.040 28.750 28.738 0.086 0.000 0.922 479 Q HN 0.293 nan 8.270 nan 0.000 0.445 480 L N -0.341 120.994 121.223 0.187 0.000 2.376 480 L HA -0.025 4.315 4.340 -0.000 0.000 0.219 480 L C 0.657 177.639 176.870 0.186 0.000 1.133 480 L CA -0.145 54.788 54.840 0.155 0.000 0.816 480 L CB -0.064 42.064 42.059 0.114 0.000 0.933 480 L HN 0.161 nan 8.230 nan 0.000 0.449 481 F N 1.869 121.916 119.950 0.161 0.000 2.462 481 F HA 0.098 4.626 4.527 0.003 0.000 0.360 481 F C 1.239 177.132 175.800 0.156 0.000 1.134 481 F CA -0.534 57.548 58.000 0.137 0.000 1.148 481 F CB 0.337 39.486 39.000 0.249 0.000 1.147 481 F HN -0.034 nan 8.300 nan 0.000 0.550 482 I N 2.709 123.246 120.570 -0.055 0.000 3.860 482 I HA 0.583 4.752 4.170 -0.000 0.000 0.319 482 I C 0.895 177.052 176.117 0.066 0.000 1.279 482 I CA 0.495 61.843 61.300 0.080 0.000 1.220 482 I CB -0.384 37.605 38.000 -0.018 0.000 1.027 482 I HN 0.635 nan 8.210 nan 0.000 0.428 483 G N 0.368 108.974 108.800 -0.323 0.000 2.373 483 G HA2 0.431 4.390 3.960 -0.000 0.000 0.250 483 G HA3 0.431 4.390 3.960 -0.000 0.000 0.250 483 G C -0.904 173.841 174.900 -0.259 0.000 1.304 483 G CA -0.267 44.717 45.100 -0.193 0.000 0.948 483 G HN 0.599 nan 8.290 nan 0.000 0.474 484 G N -1.193 107.654 108.800 0.078 0.000 2.608 484 G HA2 0.683 4.643 3.960 -0.000 0.000 0.291 484 G HA3 0.683 4.643 3.960 -0.000 0.000 0.291 484 G C -1.831 173.264 174.900 0.325 0.000 1.425 484 G CA -0.267 44.971 45.100 0.232 0.000 0.787 484 G HN 0.690 nan 8.290 nan 0.000 0.484 485 E N -0.819 119.598 120.200 0.362 0.000 2.314 485 E HA 0.568 4.917 4.350 -0.000 0.000 0.272 485 E C -0.677 176.078 176.600 0.258 0.000 0.884 485 E CA -1.008 55.570 56.400 0.297 0.000 0.753 485 E CB 2.664 32.536 29.700 0.287 0.000 1.213 485 E HN 0.719 nan 8.360 nan 0.000 0.432 486 A N 1.945 124.805 122.820 0.066 0.000 2.260 486 A HA 0.449 4.769 4.320 -0.000 0.000 0.308 486 A C -0.444 177.012 177.584 -0.213 0.000 1.254 486 A CA -0.477 51.522 52.037 -0.063 0.000 0.874 486 A CB 0.122 18.989 19.000 -0.222 0.000 1.153 486 A HN 0.671 nan 8.150 nan 0.000 0.527 487 C N 2.742 121.887 119.300 -0.258 0.000 2.329 487 C HA 0.546 5.006 4.460 -0.000 0.000 0.329 487 C C 0.082 174.723 174.990 -0.582 0.000 1.275 487 C CA -0.312 58.365 59.018 -0.567 0.000 1.726 487 C CB 0.370 27.622 27.740 -0.813 0.000 2.291 487 C HN 0.795 nan 8.230 nan 0.000 0.514 488 L N 4.399 125.248 121.223 -0.623 0.000 2.435 488 L HA 0.465 4.805 4.340 -0.000 0.000 0.253 488 L C -0.665 175.952 176.870 -0.421 0.000 1.087 488 L CA -0.142 54.448 54.840 -0.416 0.000 0.950 488 L CB -0.225 41.631 42.059 -0.338 0.000 1.304 488 L HN 0.760 nan 8.230 nan 0.000 0.453 489 W N 2.263 123.393 121.300 -0.283 0.000 2.148 489 W HA 0.389 5.048 4.660 -0.001 0.000 0.347 489 W C 1.523 177.970 176.519 -0.121 0.000 1.288 489 W CA 0.234 57.429 57.345 -0.251 0.000 1.252 489 W CB 0.741 30.023 29.460 -0.296 0.000 1.156 489 W HN 0.609 nan 8.180 nan 0.000 0.580 490 G N 0.507 109.408 108.800 0.168 0.000 3.088 490 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.217 490 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.217 490 G C 0.994 175.950 174.900 0.093 0.000 1.159 490 G CA -0.075 45.108 45.100 0.137 0.000 0.760 490 G HN 0.489 nan 8.290 nan 0.000 0.550 491 E N 0.172 120.330 120.200 -0.071 0.000 2.130 491 E HA -0.162 4.187 4.350 -0.000 0.000 0.196 491 E C 0.756 177.067 176.600 -0.481 0.000 0.998 491 E CA 1.350 57.501 56.400 -0.414 0.000 0.806 491 E CB -0.193 29.066 29.700 -0.735 0.000 0.738 491 E HN 0.656 nan 8.360 nan 0.000 0.459 492 Y N -1.534 118.891 120.300 0.208 0.000 2.612 492 Y HA 0.332 4.882 4.550 -0.000 0.000 0.250 492 Y C -0.374 175.605 175.900 0.132 0.000 1.175 492 Y CA -0.424 57.786 58.100 0.183 0.000 1.205 492 Y CB 0.874 39.402 38.460 0.112 0.000 1.201 492 Y HN -0.237 nan 8.280 nan 0.000 0.532 493 V N 2.167 122.227 119.914 0.243 0.000 2.540 493 V HA 0.471 4.591 4.120 -0.000 0.000 0.302 493 V C -0.598 175.514 176.094 0.031 0.000 1.035 493 V CA -0.656 61.711 62.300 0.113 0.000 0.873 493 V CB 1.837 33.713 31.823 0.088 0.000 0.992 493 V HN 0.301 nan 8.190 nan 0.000 0.428 494 D N 3.942 124.274 120.400 -0.112 0.000 3.009 494 D HA 0.490 5.130 4.640 -0.000 0.000 0.318 494 D C 0.981 177.248 176.300 -0.055 0.000 1.273 494 D CA 0.071 53.996 54.000 -0.124 0.000 1.001 494 D CB 1.370 41.952 40.800 -0.364 0.000 1.411 494 D HN 0.453 nan 8.370 nan 0.000 0.577 495 A N -0.500 122.301 122.820 -0.031 0.000 1.978 495 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 495 A C 1.989 179.564 177.584 -0.015 0.000 1.170 495 A CA 3.149 55.178 52.037 -0.014 0.000 0.636 495 A CB -1.549 17.454 19.000 0.004 0.000 0.810 495 A HN 0.756 nan 8.150 nan 0.000 0.448 496 T N -1.387 113.151 114.554 -0.026 0.000 2.915 496 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 496 T C 1.151 175.847 174.700 -0.006 0.000 1.071 496 T CA 1.480 63.571 62.100 -0.015 0.000 1.132 496 T CB -0.324 68.531 68.868 -0.021 0.000 0.878 496 T HN 0.680 nan 8.240 nan 0.000 0.479 497 N N -0.142 118.552 118.700 -0.011 0.000 2.118 497 N HA 0.174 4.914 4.740 -0.000 0.000 0.226 497 N C 1.331 176.842 175.510 0.001 0.000 1.305 497 N CA -0.072 52.980 53.050 0.004 0.000 0.890 497 N CB -0.516 37.979 38.487 0.013 0.000 1.118 497 N HN 0.399 nan 8.380 nan 0.000 0.511 498 L N 1.130 122.346 121.223 -0.012 0.000 1.970 498 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 498 L C 1.804 178.654 176.870 -0.033 0.000 1.071 498 L CA 1.971 56.791 54.840 -0.034 0.000 0.751 498 L CB -0.765 41.268 42.059 -0.043 0.000 0.889 498 L HN 0.093 nan 8.230 nan 0.000 0.432 499 T N 0.364 114.932 114.554 0.024 0.000 2.674 499 T HA -0.090 4.260 4.350 -0.000 0.000 0.265 499 T C -0.613 174.155 174.700 0.114 0.000 1.039 499 T CA 1.827 63.996 62.100 0.115 0.000 1.150 499 T CB -1.211 67.738 68.868 0.135 0.000 0.864 499 T HN 0.353 nan 8.240 nan 0.000 0.427 500 P HA -0.031 nan 4.420 nan 0.000 0.217 500 P C 1.451 178.773 177.300 0.036 0.000 1.150 500 P CA 1.144 64.281 63.100 0.062 0.000 0.832 500 P CB -0.037 31.690 31.700 0.044 0.000 0.787 501 R N -0.493 120.009 120.500 0.004 0.000 2.075 501 R HA -0.035 4.305 4.340 -0.000 0.000 0.232 501 R C 2.340 178.584 176.300 -0.094 0.000 1.126 501 R CA 0.996 57.088 56.100 -0.013 0.000 0.963 501 R CB -0.907 29.386 30.300 -0.011 0.000 0.858 501 R HN 0.132 nan 8.270 nan 0.000 0.435 502 L N -0.560 120.525 121.223 -0.230 0.000 2.044 502 L HA -0.029 4.311 4.340 -0.000 0.000 0.205 502 L C -0.071 176.406 176.870 -0.656 0.000 1.075 502 L CA 0.949 55.442 54.840 -0.578 0.000 0.747 502 L CB 0.078 41.594 42.059 -0.905 0.000 0.903 502 L HN 0.178 nan 8.230 nan 0.000 0.435 503 W N -0.455 120.826 121.300 -0.032 0.000 2.573 503 W HA 0.339 4.998 4.660 -0.001 0.000 0.326 503 W C -1.721 174.771 176.519 -0.045 0.000 1.049 503 W CA -1.556 55.767 57.345 -0.038 0.000 1.220 503 W CB 0.510 29.934 29.460 -0.059 0.000 1.373 503 W HN -0.156 nan 8.180 nan 0.000 0.507 504 P HA 0.107 nan 4.420 nan 0.000 0.258 504 P C 0.838 178.232 177.300 0.157 0.000 1.416 504 P CA 0.165 63.368 63.100 0.172 0.000 0.927 504 P CB 0.355 32.008 31.700 -0.079 0.000 1.444 505 R N 0.538 121.131 120.500 0.154 0.000 2.105 505 R HA -0.070 4.270 4.340 -0.000 0.000 0.239 505 R C 2.194 178.627 176.300 0.222 0.000 1.135 505 R CA 1.740 58.001 56.100 0.268 0.000 0.967 505 R CB -0.846 29.628 30.300 0.289 0.000 0.861 505 R HN 0.164 nan 8.270 nan 0.000 0.442 506 A N 0.453 123.270 122.820 -0.005 0.000 2.067 506 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 506 A C 2.076 179.919 177.584 0.431 0.000 1.158 506 A CA 1.224 53.233 52.037 -0.047 0.000 0.661 506 A CB -0.174 18.405 19.000 -0.700 0.000 0.801 506 A HN 0.199 nan 8.150 nan 0.000 0.452 507 S N 0.146 116.167 115.700 0.535 0.000 2.419 507 S HA -0.036 4.434 4.470 -0.000 0.000 0.233 507 S C 2.214 177.259 174.600 0.743 0.000 1.016 507 S CA 0.985 59.567 58.200 0.636 0.000 0.974 507 S CB -0.345 62.983 63.200 0.212 0.000 0.786 507 S HN 0.790 nan 8.310 nan 0.000 0.492 508 A N 1.260 124.448 122.820 0.614 0.000 1.902 508 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 508 A C 2.313 180.261 177.584 0.607 0.000 1.181 508 A CA 1.562 54.094 52.037 0.826 0.000 0.623 508 A CB -0.838 18.676 19.000 0.857 0.000 0.818 508 A HN 0.364 nan 8.150 nan 0.000 0.443 509 V N -0.117 119.966 119.914 0.283 0.000 2.427 509 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 509 V C 2.787 178.851 176.094 -0.051 0.000 1.051 509 V CA 1.730 63.928 62.300 -0.169 0.000 1.048 509 V CB -1.447 30.065 31.823 -0.519 0.000 0.666 509 V HN 0.605 nan 8.190 nan 0.000 0.456 510 G N -0.367 108.507 108.800 0.124 0.000 2.422 510 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.218 510 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.218 510 G C 1.531 176.421 174.900 -0.016 0.000 1.146 510 G CA 1.041 45.995 45.100 -0.244 0.000 0.769 510 G HN 0.590 nan 8.290 nan 0.000 0.547 511 E N -0.078 120.206 120.200 0.140 0.000 2.072 511 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 511 E C 2.520 179.149 176.600 0.047 0.000 0.982 511 E CA 0.680 57.044 56.400 -0.060 0.000 0.803 511 E CB -0.072 29.416 29.700 -0.352 0.000 0.755 511 E HN 0.197 nan 8.360 nan 0.000 0.453 512 R N 0.593 121.150 120.500 0.095 0.000 2.105 512 R HA -0.072 4.267 4.340 -0.000 0.000 0.239 512 R C 2.045 178.455 176.300 0.184 0.000 1.135 512 R CA 1.426 57.575 56.100 0.081 0.000 0.967 512 R CB -0.491 29.886 30.300 0.129 0.000 0.861 512 R HN 0.314 nan 8.270 nan 0.000 0.442 513 L N -1.356 119.957 121.223 0.150 0.000 2.341 513 L HA -0.022 4.317 4.340 -0.000 0.000 0.214 513 L C 2.182 179.210 176.870 0.262 0.000 1.115 513 L CA 0.426 55.447 54.840 0.300 0.000 0.820 513 L CB -0.386 41.752 42.059 0.131 0.000 0.944 513 L HN 0.339 nan 8.230 nan 0.000 0.452 514 W N 0.661 121.952 121.300 -0.016 0.000 2.633 514 W HA 0.098 4.757 4.660 -0.002 0.000 0.295 514 W C 1.087 177.559 176.519 -0.080 0.000 1.133 514 W CA 0.297 57.609 57.345 -0.055 0.000 1.490 514 W CB -0.036 29.361 29.460 -0.104 0.000 1.127 514 W HN -0.092 nan 8.180 nan 0.000 0.538 515 S N 1.375 117.197 115.700 0.204 0.000 2.608 515 S HA 0.101 4.571 4.470 -0.000 0.000 0.261 515 S C 0.266 174.840 174.600 -0.043 0.000 1.314 515 S CA -0.465 57.793 58.200 0.096 0.000 0.992 515 S CB 1.029 64.253 63.200 0.040 0.000 0.935 515 S HN 0.051 nan 8.310 nan 0.000 0.564 516 S N 1.168 116.836 115.700 -0.053 0.000 2.573 516 S HA 0.044 4.513 4.470 -0.000 0.000 0.277 516 S C 1.472 176.039 174.600 -0.055 0.000 1.346 516 S CA -0.490 57.662 58.200 -0.080 0.000 1.034 516 S CB 0.422 63.585 63.200 -0.062 0.000 0.879 516 S HN 0.719 nan 8.310 nan 0.000 0.528 517 K N 1.375 121.737 120.400 -0.064 0.000 2.113 517 K HA -0.219 4.100 4.320 -0.000 0.000 0.208 517 K C 0.929 177.515 176.600 -0.024 0.000 1.047 517 K CA 2.079 58.346 56.287 -0.034 0.000 0.928 517 K CB -0.300 32.174 32.500 -0.044 0.000 0.716 517 K HN 0.774 nan 8.250 nan 0.000 0.446 518 D N -0.327 120.059 120.400 -0.023 0.000 2.349 518 D HA -0.028 4.612 4.640 -0.000 0.000 0.224 518 D C 0.137 176.445 176.300 0.013 0.000 1.029 518 D CA -0.025 53.971 54.000 -0.006 0.000 0.879 518 D CB 0.157 40.952 40.800 -0.007 0.000 0.906 518 D HN -0.111 nan 8.370 nan 0.000 0.528 519 V N 1.782 121.701 119.914 0.009 0.000 2.364 519 V HA 0.190 4.310 4.120 -0.000 0.000 0.252 519 V C 0.851 176.989 176.094 0.075 0.000 1.075 519 V CA -0.043 62.285 62.300 0.046 0.000 1.033 519 V CB -0.586 31.253 31.823 0.028 0.000 1.116 519 V HN 0.389 nan 8.190 nan 0.000 0.488 520 R N 1.399 121.981 120.500 0.137 0.000 2.534 520 R HA 0.262 4.602 4.340 -0.000 0.000 0.438 520 R C -0.263 176.214 176.300 0.295 0.000 0.913 520 R CA -0.619 55.617 56.100 0.225 0.000 1.130 520 R CB -0.068 30.280 30.300 0.081 0.000 1.611 520 R HN 0.523 nan 8.270 nan 0.000 0.571 521 D N 1.342 121.891 120.400 0.249 0.000 2.346 521 D HA 0.053 4.693 4.640 -0.000 0.000 0.260 521 D C 1.261 177.717 176.300 0.260 0.000 1.252 521 D CA -0.139 53.982 54.000 0.203 0.000 0.895 521 D CB 0.870 41.758 40.800 0.147 0.000 1.097 521 D HN -0.000 nan 8.370 nan 0.000 0.489 522 M N 2.494 122.232 119.600 0.230 0.000 2.132 522 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 522 M C 1.237 177.691 176.300 0.256 0.000 1.065 522 M CA 1.229 56.672 55.300 0.239 0.000 1.122 522 M CB -0.689 31.989 32.600 0.130 0.000 1.365 522 M HN 0.482 nan 8.290 nan 0.000 0.411 523 D N 0.432 120.939 120.400 0.179 0.000 2.117 523 D HA -0.174 4.466 4.640 -0.000 0.000 0.197 523 D C 1.668 178.098 176.300 0.218 0.000 0.987 523 D CA 1.454 55.562 54.000 0.180 0.000 0.829 523 D CB -0.402 40.463 40.800 0.109 0.000 0.961 523 D HN 0.397 nan 8.370 nan 0.000 0.460 524 D N 0.122 120.630 120.400 0.180 0.000 2.144 524 D HA -0.053 4.587 4.640 -0.000 0.000 0.200 524 D C 1.926 178.340 176.300 0.191 0.000 0.978 524 D CA 1.388 55.483 54.000 0.157 0.000 0.833 524 D CB -0.026 40.852 40.800 0.130 0.000 0.961 524 D HN 0.086 nan 8.370 nan 0.000 0.470 525 A N -0.670 122.295 122.820 0.242 0.000 1.902 525 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 525 A C 2.201 179.875 177.584 0.151 0.000 1.181 525 A CA 1.458 53.652 52.037 0.262 0.000 0.623 525 A CB -1.247 17.813 19.000 0.099 0.000 0.818 525 A HN 0.509 nan 8.150 nan 0.000 0.443 526 Y N 1.173 121.537 120.300 0.105 0.000 2.181 526 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 526 Y C 1.910 177.761 175.900 -0.081 0.000 1.146 526 Y CA 1.942 60.026 58.100 -0.027 0.000 1.164 526 Y CB -0.184 38.377 38.460 0.168 0.000 0.982 526 Y HN 0.347 nan 8.280 nan 0.000 0.515 527 D N 0.002 120.423 120.400 0.036 0.000 2.092 527 D HA -0.177 4.462 4.640 -0.000 0.000 0.193 527 D C 2.236 178.455 176.300 -0.135 0.000 0.994 527 D CA 1.721 55.683 54.000 -0.064 0.000 0.828 527 D CB -0.297 40.530 40.800 0.045 0.000 0.963 527 D HN 0.417 nan 8.370 nan 0.000 0.450 528 R N -0.210 120.273 120.500 -0.028 0.000 2.115 528 R HA -0.020 4.319 4.340 -0.000 0.000 0.226 528 R C 2.212 178.454 176.300 -0.097 0.000 1.100 528 R CA 0.261 56.377 56.100 0.026 0.000 0.980 528 R CB -0.239 30.193 30.300 0.221 0.000 0.875 528 R HN 0.112 nan 8.270 nan 0.000 0.445 529 L N 1.056 122.070 121.223 -0.348 0.000 2.109 529 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 529 L C 2.219 178.739 176.870 -0.585 0.000 1.086 529 L CA 1.940 56.322 54.840 -0.765 0.000 0.760 529 L CB -0.631 40.669 42.059 -1.265 0.000 0.910 529 L HN 0.239 nan 8.230 nan 0.000 0.437 530 T N -3.023 111.180 114.554 -0.585 0.000 2.746 530 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 530 T C 2.065 176.561 174.700 -0.341 0.000 1.039 530 T CA 1.404 63.208 62.100 -0.493 0.000 1.142 530 T CB -0.431 68.092 68.868 -0.574 0.000 0.866 530 T HN 0.306 nan 8.240 nan 0.000 0.444 531 R N -0.021 120.312 120.500 -0.279 0.000 2.073 531 R HA -0.002 4.338 4.340 -0.000 0.000 0.229 531 R C 2.592 178.795 176.300 -0.161 0.000 1.120 531 R CA 1.426 57.406 56.100 -0.201 0.000 0.967 531 R CB -0.563 29.645 30.300 -0.155 0.000 0.862 531 R HN 0.531 nan 8.270 nan 0.000 0.436 532 H N 0.991 119.905 119.070 -0.259 0.000 2.353 532 H HA -0.062 4.494 4.556 0.000 0.000 0.300 532 H C 2.133 177.290 175.328 -0.285 0.000 1.090 532 H CA 1.688 57.583 56.048 -0.254 0.000 1.327 532 H CB 0.042 29.621 29.762 -0.305 0.000 1.383 532 H HN -0.063 nan 8.280 nan 0.000 0.508 533 R N 0.165 120.435 120.500 -0.383 0.000 2.081 533 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 533 R C 2.213 178.328 176.300 -0.309 0.000 1.131 533 R CA 1.603 57.474 56.100 -0.381 0.000 0.960 533 R CB -1.147 28.964 30.300 -0.314 0.000 0.856 533 R HN 0.478 nan 8.270 nan 0.000 0.436 534 c N 0.391 118.832 118.600 -0.265 0.000 2.413 534 c HA -0.052 4.518 4.570 -0.000 0.000 0.277 534 c C 2.898 176.852 174.090 -0.227 0.000 1.265 534 c CA 1.032 57.230 56.329 -0.218 0.000 1.752 534 c CB -1.123 41.264 42.510 -0.206 0.000 1.998 534 c HN 0.553 nan 8.230 nan 0.000 0.489 535 R N 0.460 120.798 120.500 -0.269 0.000 2.073 535 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 535 R C 2.252 178.322 176.300 -0.383 0.000 1.134 535 R CA 1.690 57.610 56.100 -0.300 0.000 0.952 535 R CB -0.310 29.820 30.300 -0.283 0.000 0.850 535 R HN 0.464 nan 8.270 nan 0.000 0.433 536 M N -0.104 119.225 119.600 -0.451 0.000 2.080 536 M HA -0.191 4.289 4.480 -0.000 0.000 0.260 536 M C 2.245 178.403 176.300 -0.236 0.000 1.068 536 M CA 1.594 56.663 55.300 -0.385 0.000 1.109 536 M CB -0.192 32.163 32.600 -0.408 0.000 1.342 536 M HN 0.087 nan 8.290 nan 0.000 0.405 537 V N 0.534 120.330 119.914 -0.198 0.000 2.287 537 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 537 V C 1.999 178.029 176.094 -0.106 0.000 1.053 537 V CA 2.042 64.268 62.300 -0.124 0.000 1.027 537 V CB -0.790 30.970 31.823 -0.106 0.000 0.646 537 V HN 0.497 nan 8.190 nan 0.000 0.447 538 E N -0.179 119.942 120.200 -0.132 0.000 2.160 538 E HA -0.193 4.156 4.350 -0.000 0.000 0.195 538 E C 2.138 178.687 176.600 -0.084 0.000 0.991 538 E CA 0.940 57.281 56.400 -0.098 0.000 0.810 538 E CB -0.156 29.477 29.700 -0.111 0.000 0.742 538 E HN 0.536 nan 8.360 nan 0.000 0.466 539 R N -0.535 119.876 120.500 -0.149 0.000 2.335 539 R HA 0.096 4.436 4.340 -0.000 0.000 0.223 539 R C 0.816 177.125 176.300 0.016 0.000 0.940 539 R CA 0.481 56.514 56.100 -0.112 0.000 1.086 539 R CB 0.571 30.599 30.300 -0.454 0.000 1.073 539 R HN 0.249 nan 8.270 nan 0.000 0.504 540 G N 0.955 109.753 108.800 -0.003 0.000 2.157 540 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.239 540 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.239 540 G C 0.018 174.926 174.900 0.013 0.000 0.982 540 G CA -0.468 44.645 45.100 0.023 0.000 0.650 540 G HN 0.150 nan 8.290 nan 0.000 0.527 541 I N 1.423 121.983 120.570 -0.017 0.000 2.312 541 I HA 0.565 4.735 4.170 -0.000 0.000 0.290 541 I C 1.038 177.136 176.117 -0.031 0.000 1.008 541 I CA -0.738 60.539 61.300 -0.038 0.000 1.226 541 I CB 0.884 38.804 38.000 -0.134 0.000 1.371 541 I HN 0.302 nan 8.210 nan 0.000 0.468 542 A N 6.175 129.002 122.820 0.011 0.000 3.048 542 A HA 0.510 4.830 4.320 -0.000 0.000 0.264 542 A C 0.936 178.545 177.584 0.043 0.000 1.796 542 A CA -0.354 51.692 52.037 0.016 0.000 1.445 542 A CB -0.713 18.301 19.000 0.024 0.000 1.074 542 A HN 0.781 nan 8.150 nan 0.000 0.621 543 A N 1.722 124.556 122.820 0.023 0.000 2.450 543 A HA 0.469 4.789 4.320 -0.000 0.000 0.255 543 A C 0.675 178.268 177.584 0.016 0.000 1.096 543 A CA -0.394 51.679 52.037 0.060 0.000 0.778 543 A CB 0.085 19.091 19.000 0.010 0.000 1.031 543 A HN 0.885 nan 8.150 nan 0.000 0.494 544 Q N 2.562 122.385 119.800 0.038 0.000 2.443 544 Q HA 0.473 4.813 4.340 -0.000 0.000 0.232 544 Q C -2.477 173.518 176.000 -0.008 0.000 1.026 544 Q CA -1.645 54.170 55.803 0.020 0.000 0.924 544 Q CB -0.068 28.695 28.738 0.042 0.000 1.256 544 Q HN 0.442 nan 8.270 nan 0.000 0.519 545 P HA 0.018 nan 4.420 nan 0.000 0.272 545 P C -0.047 177.260 177.300 0.012 0.000 1.240 545 P CA -0.167 62.923 63.100 -0.018 0.000 0.791 545 P CB 0.663 32.362 31.700 -0.000 0.000 0.978 546 L N -0.593 120.633 121.223 0.005 0.000 2.202 546 L HA 0.122 4.462 4.340 -0.000 0.000 0.205 546 L C 0.628 177.698 176.870 0.333 0.000 1.083 546 L CA 1.304 56.206 54.840 0.104 0.000 0.790 546 L CB -0.118 41.910 42.059 -0.052 0.000 0.942 546 L HN 0.419 nan 8.230 nan 0.000 0.452 547 Y N -1.536 118.838 120.300 0.124 0.000 2.895 547 Y HA 0.517 5.068 4.550 0.002 0.000 0.339 547 Y C -0.628 175.332 175.900 0.100 0.000 1.363 547 Y CA -1.314 56.870 58.100 0.139 0.000 1.085 547 Y CB 0.686 39.284 38.460 0.229 0.000 1.500 547 Y HN -0.137 nan 8.280 nan 0.000 0.442 548 A N 1.361 123.815 122.820 -0.609 0.000 2.555 548 A HA 0.489 4.809 4.320 -0.000 0.000 0.233 548 A C 0.627 178.190 177.584 -0.035 0.000 1.060 548 A CA 1.505 53.345 52.037 -0.328 0.000 0.759 548 A CB -1.059 17.668 19.000 -0.455 0.000 0.995 548 A HN 1.943 nan 8.150 nan 0.000 0.506 549 G N -0.255 108.558 108.800 0.021 0.000 2.350 549 G HA2 0.555 4.514 3.960 -0.000 0.000 0.276 549 G HA3 0.555 4.514 3.960 -0.000 0.000 0.276 549 G C -0.992 174.019 174.900 0.186 0.000 1.313 549 G CA 0.109 45.277 45.100 0.114 0.000 0.903 549 G HN 2.300 nan 8.290 nan 0.000 0.490 550 Y N -2.275 118.002 120.300 -0.039 0.000 2.689 550 Y HA 0.795 5.345 4.550 -0.000 0.000 0.333 550 Y C -0.338 175.528 175.900 -0.058 0.000 1.208 550 Y CA -1.666 56.407 58.100 -0.046 0.000 1.055 550 Y CB 0.567 39.003 38.460 -0.039 0.000 1.304 550 Y HN 0.866 nan 8.280 nan 0.000 0.455 551 c N 2.690 121.225 118.600 -0.108 0.000 2.401 551 c HA 0.726 5.296 4.570 -0.000 0.000 0.356 551 c C -0.625 173.386 174.090 -0.133 0.000 1.192 551 c CA -0.223 55.979 56.329 -0.212 0.000 2.028 551 c CB 0.655 43.094 42.510 -0.117 0.000 2.344 551 c HN 1.027 nan 8.230 nan 0.000 0.525 552 N N 0.000 118.608 118.700 -0.154 0.000 1.763 552 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 552 N CA 0.000 53.012 53.050 -0.064 0.000 0.885 552 N CB 0.000 38.498 38.487 0.018 0.000 1.341 552 N HN 0.000 nan 8.380 nan 0.000 0.667