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 2j69_1_B DATA FIRST_RESID 4 DATA SEQUENCE QVATDRFIQD LERVAQVRSE MSVCLNKLAE TINKAELAGD SSSGKLSLER DATA SEQUENCE DIEDITIASK NLQQGVFRLL VLGDMKRGKS TFLNALIGEN LLPSDVNPCT DATA SEQUENCE AVLTVLRYGP EKKVTIHFND GKSPQQLDFQ NFKYKYTIDP AEAKKLEQEK DATA SEQUENCE KQAFPDVDYA VVEYPLTLLQ KGIEIVDSPG LNDTEARNEL SLGYVNNCHA DATA SEQUENCE ILFVMRASQP CTLGERRYLE NYIKGRGLTV FFLVNAWDQV RESLIDPDDV DATA SEQUENCE EELQASENRL RQVFNANLAE YCTVEGQNIY DERVFELSSI QALRRRLKNP DATA SEQUENCE QADLDGTGFP KFMDSLNTFL TRERAIAELR QVRTLARLAC NHTREAVARR DATA SEQUENCE IPLLEQDVNE LKKRIDSVEP EFNKLTGIRD EFQKEIINTR DTQARTISES DATA SEQUENCE FRSYVLNLGN TFENDFLRYQ PELNLFDFLS SGKREAFNAA LQKAFEQYIT DATA SEQUENCE DKSAAWTLTA EKDINAAFKE LSRSASQYGA SYNQITDQIT EKLTGKDVXX DATA SEQUENCE XXXXXXEEDN SPGWAKWAMG LLSXXXXXXX XXXXXXAGFD WKNILLNYFT DATA SEQUENCE VIGIGGIITA VTGILLGPIG FALLGLGVGF LQADQARREL VKTAKKELVK DATA SEQUENCE HLPQVAHEQS QVVYNAVKEC FDSYEREVSK RINDDIVSRK SELDNLVKQK DATA SEQUENCE QTREINRESE FNRLKNLQED VIAQLQKIEA AYSNLLAYYS HH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.012 176.000 0.020 0.000 1.003 4 Q CA 0.000 55.815 55.803 0.020 0.000 1.022 4 Q CB 0.000 28.753 28.738 0.026 0.000 1.108 5 V N 0.756 120.680 119.914 0.016 0.000 3.489 5 V HA 0.750 4.871 4.120 0.001 0.000 0.297 5 V C 1.156 177.260 176.094 0.017 0.000 1.071 5 V CA 0.707 63.016 62.300 0.015 0.000 1.074 5 V CB 0.764 32.593 31.823 0.011 0.000 1.188 5 V HN 0.942 nan 8.190 nan 0.000 0.458 6 A N 0.026 122.852 122.820 0.010 0.000 1.968 6 A HA -0.001 4.319 4.320 0.001 0.000 0.217 6 A C 2.051 179.652 177.584 0.029 0.000 1.169 6 A CA 1.849 53.884 52.037 -0.003 0.000 0.638 6 A CB -1.226 17.750 19.000 -0.041 0.000 0.812 6 A HN 1.025 nan 8.150 nan 0.000 0.446 7 T N 0.223 114.800 114.554 0.039 0.000 2.777 7 T HA -0.112 4.239 4.350 0.001 0.000 0.266 7 T C 1.400 176.146 174.700 0.078 0.000 1.040 7 T CA 1.435 63.580 62.100 0.074 0.000 1.141 7 T CB -0.303 68.587 68.868 0.037 0.000 0.868 7 T HN 0.408 nan 8.240 nan 0.000 0.444 8 D N 0.792 121.217 120.400 0.042 0.000 2.123 8 D HA -0.018 4.623 4.640 0.001 0.000 0.200 8 D C 2.257 178.579 176.300 0.037 0.000 0.976 8 D CA 0.700 54.714 54.000 0.024 0.000 0.831 8 D CB -0.278 40.529 40.800 0.013 0.000 0.974 8 D HN 0.248 nan 8.370 nan 0.000 0.469 9 R N -0.286 120.247 120.500 0.056 0.000 2.127 9 R HA -0.158 4.183 4.340 0.001 0.000 0.238 9 R C 2.131 178.501 176.300 0.118 0.000 1.134 9 R CA 0.779 56.920 56.100 0.070 0.000 0.975 9 R CB -0.309 30.025 30.300 0.057 0.000 0.865 9 R HN 0.099 nan 8.270 nan 0.000 0.447 10 F N 1.002 120.911 119.950 -0.067 0.000 2.206 10 F HA -0.019 4.509 4.527 0.001 0.000 0.298 10 F C 1.783 177.538 175.800 -0.075 0.000 1.090 10 F CA 0.945 58.887 58.000 -0.096 0.000 1.323 10 F CB -0.188 38.731 39.000 -0.135 0.000 1.028 10 F HN -0.059 nan 8.300 nan 0.000 0.492 11 I N -0.431 120.075 120.570 -0.106 0.000 2.546 11 I HA -0.227 3.944 4.170 0.001 0.000 0.255 11 I C 2.263 178.300 176.117 -0.132 0.000 1.163 11 I CA 0.771 61.952 61.300 -0.199 0.000 1.457 11 I CB -0.350 37.576 38.000 -0.123 0.000 1.092 11 I HN 0.149 nan 8.210 nan 0.000 0.434 12 Q N 1.119 120.884 119.800 -0.058 0.000 1.990 12 Q HA -0.229 4.111 4.340 0.001 0.000 0.200 12 Q C 1.682 177.664 176.000 -0.030 0.000 0.980 12 Q CA 2.010 57.792 55.803 -0.036 0.000 0.832 12 Q CB -0.025 28.717 28.738 0.007 0.000 0.897 12 Q HN 0.340 nan 8.270 nan 0.000 0.427 13 D N -0.642 119.767 120.400 0.014 0.000 2.123 13 D HA -0.157 4.483 4.640 0.001 0.000 0.196 13 D C 1.538 177.841 176.300 0.006 0.000 0.992 13 D CA 0.722 54.760 54.000 0.063 0.000 0.833 13 D CB -0.128 40.734 40.800 0.102 0.000 0.954 13 D HN 0.136 nan 8.370 nan 0.000 0.455 14 L N 0.712 121.864 121.223 -0.118 0.000 2.083 14 L HA -0.103 4.238 4.340 0.001 0.000 0.209 14 L C 2.021 178.842 176.870 -0.082 0.000 1.083 14 L CA 1.663 56.411 54.840 -0.154 0.000 0.752 14 L CB -0.420 41.408 42.059 -0.384 0.000 0.899 14 L HN 0.075 nan 8.230 nan 0.000 0.433 15 E N -1.131 119.009 120.200 -0.101 0.000 2.170 15 E HA -0.187 4.164 4.350 0.001 0.000 0.191 15 E C 2.335 178.888 176.600 -0.079 0.000 0.981 15 E CA 0.194 56.536 56.400 -0.095 0.000 0.830 15 E CB 0.115 29.751 29.700 -0.108 0.000 0.775 15 E HN 0.338 nan 8.360 nan 0.000 0.470 16 R N 0.263 120.721 120.500 -0.070 0.000 2.083 16 R HA -0.148 4.192 4.340 0.001 0.000 0.237 16 R C 2.290 178.557 176.300 -0.056 0.000 1.137 16 R CA 1.557 57.604 56.100 -0.088 0.000 0.951 16 R CB -0.230 30.014 30.300 -0.094 0.000 0.851 16 R HN 0.078 nan 8.270 nan 0.000 0.434 17 V N 0.873 120.792 119.914 0.008 0.000 2.287 17 V HA -0.266 3.854 4.120 0.001 0.000 0.248 17 V C 2.462 178.551 176.094 -0.008 0.000 1.053 17 V CA 2.000 64.323 62.300 0.039 0.000 1.027 17 V CB -0.741 31.170 31.823 0.147 0.000 0.646 17 V HN 0.562 nan 8.190 nan 0.000 0.447 18 A N -1.022 121.780 122.820 -0.028 0.000 1.940 18 A HA -0.259 4.061 4.320 0.001 0.000 0.219 18 A C 2.172 179.718 177.584 -0.064 0.000 1.176 18 A CA 1.695 53.696 52.037 -0.061 0.000 0.631 18 A CB -0.449 18.502 19.000 -0.081 0.000 0.814 18 A HN 0.542 nan 8.150 nan 0.000 0.446 19 Q N -0.301 119.458 119.800 -0.069 0.000 1.993 19 Q HA -0.119 4.221 4.340 0.001 0.000 0.202 19 Q C 2.354 178.316 176.000 -0.063 0.000 0.984 19 Q CA 1.726 57.486 55.803 -0.072 0.000 0.837 19 Q CB -1.050 27.636 28.738 -0.087 0.000 0.902 19 Q HN 0.457 nan 8.270 nan 0.000 0.423 20 V N 1.116 120.990 119.914 -0.066 0.000 2.490 20 V HA -0.245 3.875 4.120 0.001 0.000 0.250 20 V C 2.507 178.581 176.094 -0.033 0.000 1.061 20 V CA 1.817 64.083 62.300 -0.057 0.000 1.064 20 V CB -0.538 31.241 31.823 -0.074 0.000 0.670 20 V HN 0.306 nan 8.190 nan 0.000 0.461 21 R N -0.491 119.988 120.500 -0.034 0.000 2.066 21 R HA -0.138 4.202 4.340 0.001 0.000 0.232 21 R C 2.682 178.962 176.300 -0.033 0.000 1.131 21 R CA 1.676 57.757 56.100 -0.032 0.000 0.955 21 R CB -0.375 29.893 30.300 -0.053 0.000 0.851 21 R HN 0.453 nan 8.270 nan 0.000 0.432 22 S N 0.340 116.015 115.700 -0.041 0.000 2.348 22 S HA -0.180 4.291 4.470 0.001 0.000 0.221 22 S C 1.768 176.351 174.600 -0.029 0.000 1.033 22 S CA 1.435 59.612 58.200 -0.038 0.000 1.010 22 S CB -0.171 63.002 63.200 -0.045 0.000 0.891 22 S HN 0.390 nan 8.310 nan 0.000 0.442 23 E N 0.215 120.397 120.200 -0.030 0.000 2.058 23 E HA -0.165 4.185 4.350 0.001 0.000 0.194 23 E C 2.196 178.787 176.600 -0.015 0.000 0.997 23 E CA 1.336 57.722 56.400 -0.024 0.000 0.801 23 E CB -0.146 29.537 29.700 -0.028 0.000 0.746 23 E HN 0.481 nan 8.360 nan 0.000 0.450 24 M N 0.170 119.764 119.600 -0.010 0.000 2.082 24 M HA -0.202 4.278 4.480 0.001 0.000 0.258 24 M C 2.655 178.953 176.300 -0.003 0.000 1.069 24 M CA 1.475 56.774 55.300 -0.001 0.000 1.102 24 M CB -1.079 31.527 32.600 0.009 0.000 1.336 24 M HN 0.110 nan 8.290 nan 0.000 0.404 25 S N 0.372 116.068 115.700 -0.008 0.000 2.368 25 S HA -0.097 4.374 4.470 0.001 0.000 0.225 25 S C 1.929 176.526 174.600 -0.006 0.000 1.030 25 S CA 1.401 59.597 58.200 -0.007 0.000 0.999 25 S CB -0.234 62.958 63.200 -0.013 0.000 0.844 25 S HN 0.280 nan 8.310 nan 0.000 0.459 26 V N 1.152 121.060 119.914 -0.010 0.000 2.343 26 V HA -0.200 3.920 4.120 0.001 0.000 0.247 26 V C 2.699 178.790 176.094 -0.006 0.000 1.051 26 V CA 1.859 64.153 62.300 -0.009 0.000 1.036 26 V CB -1.166 30.649 31.823 -0.013 0.000 0.654 26 V HN 0.671 nan 8.190 nan 0.000 0.451 27 C N -0.270 119.026 119.300 -0.006 0.000 2.429 27 C HA -0.114 4.346 4.460 0.001 0.000 0.277 27 C C 2.664 177.654 174.990 -0.000 0.000 1.262 27 C CA 0.822 59.838 59.018 -0.004 0.000 1.733 27 C CB -1.135 26.603 27.740 -0.004 0.000 2.010 27 C HN 0.521 nan 8.230 nan 0.000 0.483 28 L N 1.066 122.290 121.223 0.002 0.000 2.017 28 L HA -0.150 4.191 4.340 0.001 0.000 0.208 28 L C 2.410 179.285 176.870 0.009 0.000 1.073 28 L CA 1.397 56.242 54.840 0.007 0.000 0.745 28 L CB -0.807 41.258 42.059 0.011 0.000 0.894 28 L HN 0.375 nan 8.230 nan 0.000 0.432 29 N N 0.404 119.107 118.700 0.006 0.000 2.094 29 N HA -0.197 4.544 4.740 0.001 0.000 0.191 29 N C 1.748 177.261 175.510 0.005 0.000 1.023 29 N CA 1.374 54.427 53.050 0.006 0.000 0.857 29 N CB -0.168 38.320 38.487 0.002 0.000 1.013 29 N HN 0.382 nan 8.380 nan 0.000 0.426 30 K N 0.093 120.495 120.400 0.003 0.000 2.103 30 K HA -0.036 4.285 4.320 0.001 0.000 0.204 30 K C 1.901 178.503 176.600 0.004 0.000 1.052 30 K CA 0.333 56.621 56.287 0.002 0.000 0.945 30 K CB -0.199 32.300 32.500 -0.001 0.000 0.722 30 K HN 0.027 nan 8.250 nan 0.000 0.443 31 L N 1.504 122.730 121.223 0.005 0.000 1.976 31 L HA -0.145 4.196 4.340 0.001 0.000 0.209 31 L C 2.256 179.133 176.870 0.012 0.000 1.071 31 L CA 2.025 56.869 54.840 0.007 0.000 0.746 31 L CB -0.884 41.179 42.059 0.006 0.000 0.890 31 L HN 0.122 nan 8.230 nan 0.000 0.432 32 A N -1.045 121.784 122.820 0.015 0.000 1.940 32 A HA -0.269 4.051 4.320 0.001 0.000 0.219 32 A C 2.327 179.920 177.584 0.015 0.000 1.176 32 A CA 1.818 53.867 52.037 0.020 0.000 0.631 32 A CB -0.788 18.225 19.000 0.022 0.000 0.814 32 A HN 0.658 nan 8.150 nan 0.000 0.446 33 E N -0.706 119.501 120.200 0.011 0.000 2.077 33 E HA -0.170 4.180 4.350 0.001 0.000 0.193 33 E C 1.962 178.566 176.600 0.008 0.000 0.989 33 E CA 1.678 58.083 56.400 0.009 0.000 0.800 33 E CB -0.151 29.552 29.700 0.006 0.000 0.746 33 E HN 0.562 nan 8.360 nan 0.000 0.452 34 T N 1.965 116.524 114.554 0.007 0.000 2.674 34 T HA -0.141 4.209 4.350 0.001 0.000 0.265 34 T C 1.954 176.659 174.700 0.008 0.000 1.039 34 T CA 1.408 63.511 62.100 0.006 0.000 1.150 34 T CB -0.144 68.726 68.868 0.004 0.000 0.864 34 T HN 0.178 nan 8.240 nan 0.000 0.427 35 I N 2.096 122.674 120.570 0.013 0.000 2.091 35 I HA -0.228 3.943 4.170 0.001 0.000 0.239 35 I C 2.490 178.616 176.117 0.016 0.000 1.061 35 I CA 1.705 63.016 61.300 0.018 0.000 1.317 35 I CB -1.351 36.665 38.000 0.027 0.000 1.031 35 I HN 0.291 nan 8.210 nan 0.000 0.401 36 N N 1.228 119.937 118.700 0.015 0.000 2.149 36 N HA -0.236 4.505 4.740 0.001 0.000 0.188 36 N C 1.795 177.311 175.510 0.010 0.000 1.019 36 N CA 1.636 54.694 53.050 0.013 0.000 0.857 36 N CB -0.117 38.377 38.487 0.012 0.000 0.997 36 N HN 0.233 nan 8.380 nan 0.000 0.426 37 K N -0.489 119.916 120.400 0.008 0.000 2.057 37 K HA 0.073 4.393 4.320 0.001 0.000 0.206 37 K C 1.869 178.473 176.600 0.006 0.000 1.050 37 K CA 1.140 57.431 56.287 0.006 0.000 0.935 37 K CB -0.261 32.242 32.500 0.005 0.000 0.715 37 K HN 0.269 nan 8.250 nan 0.000 0.439 38 A N 0.557 123.381 122.820 0.006 0.000 1.972 38 A HA -0.182 4.139 4.320 0.001 0.000 0.219 38 A C 1.930 179.517 177.584 0.007 0.000 1.169 38 A CA 1.720 53.759 52.037 0.005 0.000 0.635 38 A CB -0.399 18.603 19.000 0.003 0.000 0.810 38 A HN 0.296 nan 8.150 nan 0.000 0.446 39 E N -0.015 120.190 120.200 0.009 0.000 2.028 39 E HA -0.055 4.295 4.350 0.001 0.000 0.191 39 E C 1.774 178.379 176.600 0.008 0.000 0.988 39 E CA 1.047 57.452 56.400 0.010 0.000 0.799 39 E CB -0.298 29.409 29.700 0.012 0.000 0.755 39 E HN 0.584 nan 8.360 nan 0.000 0.447 40 L N -0.362 120.865 121.223 0.007 0.000 2.376 40 L HA 0.014 4.355 4.340 0.001 0.000 0.219 40 L C 1.948 178.821 176.870 0.006 0.000 1.133 40 L CA 0.808 55.652 54.840 0.006 0.000 0.816 40 L CB -0.147 41.915 42.059 0.005 0.000 0.933 40 L HN 0.114 nan 8.230 nan 0.000 0.449 41 A N -0.429 122.395 122.820 0.006 0.000 2.218 41 A HA 0.195 4.515 4.320 0.001 0.000 0.209 41 A C 2.207 179.796 177.584 0.007 0.000 1.168 41 A CA 0.844 52.885 52.037 0.007 0.000 0.804 41 A CB -0.464 18.540 19.000 0.006 0.000 0.834 41 A HN 0.374 nan 8.150 nan 0.000 0.482 42 G N 0.987 109.792 108.800 0.007 0.000 2.439 42 G HA2 -0.091 3.870 3.960 0.001 0.000 0.212 42 G HA3 -0.091 3.870 3.960 0.001 0.000 0.212 42 G C 0.960 175.865 174.900 0.008 0.000 1.199 42 G CA 0.972 46.077 45.100 0.008 0.000 0.807 42 G HN 0.667 nan 8.290 nan 0.000 0.537 43 D N 0.327 120.731 120.400 0.007 0.000 2.332 43 D HA 0.048 4.689 4.640 0.001 0.000 0.244 43 D C 1.808 178.111 176.300 0.006 0.000 1.136 43 D CA 1.001 55.005 54.000 0.006 0.000 0.884 43 D CB 0.127 40.929 40.800 0.004 0.000 0.906 43 D HN 0.338 nan 8.370 nan 0.000 0.520 44 S N -2.849 112.855 115.700 0.007 0.000 2.559 44 S HA 0.205 4.675 4.470 0.001 0.000 0.226 44 S C 1.216 175.822 174.600 0.009 0.000 1.030 44 S CA -0.226 57.979 58.200 0.007 0.000 0.956 44 S CB 0.369 63.573 63.200 0.006 0.000 0.900 44 S HN 0.138 nan 8.310 nan 0.000 0.510 45 S N 1.356 117.063 115.700 0.010 0.000 3.976 45 S HA 0.354 4.824 4.470 0.001 0.000 0.189 45 S C 1.568 176.177 174.600 0.015 0.000 0.917 45 S CA 0.487 58.695 58.200 0.014 0.000 1.552 45 S CB 0.345 63.554 63.200 0.015 0.000 0.676 45 S HN 0.445 nan 8.310 nan 0.000 0.738 46 S N -0.081 115.630 115.700 0.017 0.000 2.527 46 S HA 0.372 4.843 4.470 0.001 0.000 0.222 46 S C 0.648 175.257 174.600 0.015 0.000 0.985 46 S CA 1.089 59.300 58.200 0.019 0.000 0.921 46 S CB -0.819 62.395 63.200 0.024 0.000 0.772 46 S HN 1.569 nan 8.310 nan 0.000 0.529 47 G N 0.711 109.518 108.800 0.012 0.000 2.770 47 G HA2 -0.061 3.899 3.960 0.001 0.000 0.686 47 G HA3 -0.061 3.899 3.960 0.001 0.000 0.686 47 G C -1.036 173.870 174.900 0.010 0.000 1.180 47 G CA -0.892 44.214 45.100 0.010 0.000 0.767 47 G HN 0.440 nan 8.290 nan 0.000 0.646 48 K N 0.633 121.038 120.400 0.009 0.000 2.489 48 K HA 0.252 4.572 4.320 0.001 0.000 0.278 48 K C 1.112 177.720 176.600 0.013 0.000 1.000 48 K CA -0.297 55.997 56.287 0.010 0.000 1.012 48 K CB 0.211 32.716 32.500 0.009 0.000 0.903 48 K HN 0.352 nan 8.250 nan 0.000 0.485 49 L N 2.340 123.572 121.223 0.016 0.000 2.380 49 L HA 0.071 4.411 4.340 0.001 0.000 0.273 49 L C 0.711 177.594 176.870 0.022 0.000 1.138 49 L CA 0.376 55.229 54.840 0.021 0.000 0.832 49 L CB 1.006 43.080 42.059 0.025 0.000 1.124 49 L HN 0.587 nan 8.230 nan 0.000 0.454 50 S N 4.443 120.156 115.700 0.022 0.000 2.701 50 S HA 0.340 4.810 4.470 0.001 0.000 0.317 50 S C 0.539 175.154 174.600 0.025 0.000 1.149 50 S CA -0.423 57.789 58.200 0.019 0.000 1.052 50 S CB -0.579 62.630 63.200 0.015 0.000 1.257 50 S HN 0.516 nan 8.310 nan 0.000 0.532 51 L N 4.120 125.362 121.223 0.031 0.000 3.218 51 L HA 0.348 4.689 4.340 0.001 0.000 0.279 51 L C 1.370 178.267 176.870 0.045 0.000 1.287 51 L CA -0.115 54.753 54.840 0.047 0.000 1.024 51 L CB 0.216 42.309 42.059 0.056 0.000 1.409 51 L HN 0.460 nan 8.230 nan 0.000 0.580 52 E N 0.562 120.780 120.200 0.031 0.000 2.072 52 E HA -0.218 4.133 4.350 0.001 0.000 0.191 52 E C 2.047 178.665 176.600 0.030 0.000 0.985 52 E CA 0.953 57.368 56.400 0.025 0.000 0.801 52 E CB 0.114 29.821 29.700 0.012 0.000 0.750 52 E HN 0.233 nan 8.360 nan 0.000 0.452 53 R N 1.233 121.754 120.500 0.035 0.000 2.159 53 R HA -0.156 4.185 4.340 0.001 0.000 0.237 53 R C 1.162 177.506 176.300 0.074 0.000 1.131 53 R CA 1.739 57.862 56.100 0.039 0.000 0.982 53 R CB -0.084 30.245 30.300 0.048 0.000 0.868 53 R HN 0.202 nan 8.270 nan 0.000 0.453 54 D N -0.693 119.766 120.400 0.099 0.000 2.271 54 D HA -0.003 4.637 4.640 0.001 0.000 0.206 54 D C 1.827 178.179 176.300 0.087 0.000 0.967 54 D CA 0.894 54.969 54.000 0.126 0.000 0.867 54 D CB 0.152 41.046 40.800 0.158 0.000 0.960 54 D HN 0.307 nan 8.370 nan 0.000 0.509 55 I N 1.966 122.573 120.570 0.061 0.000 2.202 55 I HA -0.270 3.901 4.170 0.001 0.000 0.242 55 I C 2.614 178.755 176.117 0.040 0.000 1.091 55 I CA 1.238 62.564 61.300 0.045 0.000 1.368 55 I CB -0.279 37.741 38.000 0.032 0.000 1.058 55 I HN 0.011 nan 8.210 nan 0.000 0.410 56 E N 1.111 121.331 120.200 0.033 0.000 2.051 56 E HA -0.253 4.098 4.350 0.001 0.000 0.192 56 E C 1.565 178.188 176.600 0.038 0.000 0.991 56 E CA 1.607 58.021 56.400 0.023 0.000 0.799 56 E CB -0.455 29.246 29.700 0.002 0.000 0.748 56 E HN 0.328 nan 8.360 nan 0.000 0.449 57 D N 0.890 121.325 120.400 0.059 0.000 2.133 57 D HA -0.167 4.473 4.640 0.001 0.000 0.195 57 D C 1.940 178.315 176.300 0.124 0.000 0.997 57 D CA 1.090 55.160 54.000 0.117 0.000 0.840 57 D CB -0.134 40.789 40.800 0.206 0.000 0.947 57 D HN 0.219 nan 8.370 nan 0.000 0.452 58 I N 0.665 121.291 120.570 0.093 0.000 2.202 58 I HA -0.199 3.971 4.170 0.001 0.000 0.242 58 I C 2.209 178.357 176.117 0.051 0.000 1.091 58 I CA 1.176 62.517 61.300 0.068 0.000 1.368 58 I CB -1.220 36.811 38.000 0.052 0.000 1.058 58 I HN 0.042 nan 8.210 nan 0.000 0.410 59 T N 1.742 116.322 114.554 0.043 0.000 2.674 59 T HA -0.120 4.230 4.350 0.001 0.000 0.265 59 T C 2.084 176.803 174.700 0.032 0.000 1.039 59 T CA 1.322 63.440 62.100 0.030 0.000 1.150 59 T CB -0.293 68.589 68.868 0.023 0.000 0.864 59 T HN 0.191 nan 8.240 nan 0.000 0.427 60 I N 1.440 122.033 120.570 0.038 0.000 2.118 60 I HA -0.263 3.908 4.170 0.001 0.000 0.241 60 I C 2.972 179.120 176.117 0.051 0.000 1.070 60 I CA 1.435 62.759 61.300 0.040 0.000 1.327 60 I CB -0.605 37.421 38.000 0.044 0.000 1.034 60 I HN 0.211 nan 8.210 nan 0.000 0.405 61 A N -0.375 122.487 122.820 0.071 0.000 1.940 61 A HA -0.261 4.059 4.320 0.001 0.000 0.219 61 A C 2.487 180.093 177.584 0.037 0.000 1.176 61 A CA 2.378 54.455 52.037 0.067 0.000 0.631 61 A CB -0.805 18.243 19.000 0.081 0.000 0.814 61 A HN 0.425 nan 8.150 nan 0.000 0.446 62 S N -0.792 114.926 115.700 0.030 0.000 2.355 62 S HA -0.161 4.310 4.470 0.001 0.000 0.222 62 S C 2.064 176.670 174.600 0.010 0.000 1.031 62 S CA 1.737 59.946 58.200 0.016 0.000 0.993 62 S CB -0.282 62.926 63.200 0.014 0.000 0.859 62 S HN 0.594 nan 8.310 nan 0.000 0.453 63 K N 0.568 120.976 120.400 0.013 0.000 2.152 63 K HA -0.058 4.263 4.320 0.001 0.000 0.206 63 K C 1.770 178.373 176.600 0.006 0.000 1.048 63 K CA 1.693 57.986 56.287 0.009 0.000 0.933 63 K CB -0.222 32.285 32.500 0.012 0.000 0.721 63 K HN 0.467 nan 8.250 nan 0.000 0.447 64 N N 0.114 118.821 118.700 0.011 0.000 2.354 64 N HA -0.024 4.717 4.740 0.001 0.000 0.179 64 N C 1.575 177.079 175.510 -0.011 0.000 1.021 64 N CA 0.268 53.321 53.050 0.006 0.000 0.887 64 N CB 0.142 38.641 38.487 0.020 0.000 0.974 64 N HN 0.037 nan 8.380 nan 0.000 0.437 65 L N 1.236 122.453 121.223 -0.011 0.000 2.056 65 L HA -0.200 4.141 4.340 0.001 0.000 0.207 65 L C 2.571 179.417 176.870 -0.041 0.000 1.078 65 L CA 1.145 55.968 54.840 -0.029 0.000 0.749 65 L CB -0.438 41.610 42.059 -0.019 0.000 0.901 65 L HN 0.369 nan 8.230 nan 0.000 0.433 66 Q N -0.627 119.156 119.800 -0.028 0.000 2.436 66 Q HA -0.177 4.163 4.340 0.001 0.000 0.209 66 Q C 1.522 177.503 176.000 -0.031 0.000 0.965 66 Q CA 0.969 56.754 55.803 -0.030 0.000 0.910 66 Q CB 0.015 28.741 28.738 -0.019 0.000 0.980 66 Q HN 0.598 nan 8.270 nan 0.000 0.491 67 Q N 0.492 120.275 119.800 -0.028 0.000 2.378 67 Q HA 0.184 4.524 4.340 0.001 0.000 0.229 67 Q C 0.555 176.531 176.000 -0.041 0.000 0.882 67 Q CA 0.131 55.920 55.803 -0.023 0.000 0.936 67 Q CB 0.860 29.594 28.738 -0.006 0.000 1.092 67 Q HN 0.430 nan 8.270 nan 0.000 0.535 68 G N 1.188 109.950 108.800 -0.064 0.000 2.321 68 G HA2 0.217 4.178 3.960 0.001 0.000 0.237 68 G HA3 0.217 4.178 3.960 0.001 0.000 0.237 68 G C -0.832 173.963 174.900 -0.174 0.000 1.282 68 G CA 0.078 45.115 45.100 -0.104 0.000 0.886 68 G HN 0.059 nan 8.290 nan 0.000 0.528 69 V N 3.343 123.144 119.914 -0.188 0.000 2.932 69 V HA 0.548 4.668 4.120 0.001 0.000 0.307 69 V C -0.848 175.059 176.094 -0.311 0.000 1.147 69 V CA -1.174 60.991 62.300 -0.225 0.000 0.951 69 V CB 1.720 33.504 31.823 -0.065 0.000 1.031 69 V HN 0.644 nan 8.190 nan 0.000 0.426 70 F N 5.355 125.142 119.950 -0.272 0.000 2.504 70 F HA 0.477 5.004 4.527 0.001 0.000 0.369 70 F C 0.761 176.461 175.800 -0.167 0.000 1.082 70 F CA 0.137 57.802 58.000 -0.558 0.000 1.216 70 F CB 0.578 39.343 39.000 -0.392 0.000 1.108 70 F HN 0.357 nan 8.300 nan 0.000 0.554 71 R N 4.983 125.643 120.500 0.267 0.000 2.338 71 R HA 0.601 4.942 4.340 0.001 0.000 0.317 71 R C -1.603 174.873 176.300 0.294 0.000 0.968 71 R CA -0.589 55.689 56.100 0.297 0.000 0.849 71 R CB 0.771 31.268 30.300 0.328 0.000 1.128 71 R HN 0.720 nan 8.270 nan 0.000 0.448 72 L N 5.646 126.979 121.223 0.183 0.000 2.305 72 L HA 0.446 4.787 4.340 0.001 0.000 0.284 72 L C -0.854 176.073 176.870 0.096 0.000 1.013 72 L CA -1.106 53.833 54.840 0.164 0.000 0.819 72 L CB 1.708 43.853 42.059 0.143 0.000 1.227 72 L HN 0.478 nan 8.230 nan 0.000 0.417 73 L N 4.918 126.201 121.223 0.099 0.000 2.272 73 L HA 0.514 4.854 4.340 0.001 0.000 0.289 73 L C -0.533 176.363 176.870 0.043 0.000 1.032 73 L CA -0.188 54.673 54.840 0.035 0.000 0.810 73 L CB 1.600 43.696 42.059 0.060 0.000 1.205 73 L HN 0.283 nan 8.230 nan 0.000 0.422 74 V N 6.830 126.747 119.914 0.005 0.000 2.350 74 V HA 0.462 4.583 4.120 0.001 0.000 0.276 74 V C 0.146 176.190 176.094 -0.082 0.000 1.028 74 V CA -0.449 61.853 62.300 0.003 0.000 0.860 74 V CB 0.947 32.803 31.823 0.056 0.000 0.990 74 V HN 0.633 nan 8.190 nan 0.000 0.453 75 L N 3.932 125.057 121.223 -0.164 0.000 2.323 75 L HA 1.064 5.405 4.340 0.001 0.000 0.265 75 L C 0.392 176.861 176.870 -0.668 0.000 1.012 75 L CA -0.496 54.144 54.840 -0.333 0.000 0.820 75 L CB 2.358 44.287 42.059 -0.217 0.000 1.334 75 L HN 0.865 nan 8.230 nan 0.000 0.427 76 G N 0.187 108.573 108.800 -0.690 0.000 2.337 76 G HA2 0.075 4.036 3.960 0.001 0.000 0.310 76 G HA3 0.075 4.036 3.960 0.001 0.000 0.310 76 G C -1.888 172.800 174.900 -0.352 0.000 1.534 76 G CA -0.917 43.766 45.100 -0.696 0.000 0.982 76 G HN 0.406 nan 8.290 nan 0.000 0.672 77 D N 0.694 120.945 120.400 -0.249 0.000 2.362 77 D HA 0.315 4.956 4.640 0.001 0.000 0.238 77 D C 1.388 177.637 176.300 -0.086 0.000 1.212 77 D CA 0.108 54.037 54.000 -0.118 0.000 0.902 77 D CB 0.330 41.097 40.800 -0.055 0.000 1.180 77 D HN 0.293 nan 8.370 nan 0.000 0.445 78 M N 0.685 120.259 119.600 -0.043 0.000 2.248 78 M HA -0.002 4.478 4.480 0.001 0.000 0.337 78 M C 0.895 177.188 176.300 -0.012 0.000 1.121 78 M CA 0.620 55.907 55.300 -0.021 0.000 1.155 78 M CB -0.032 32.567 32.600 -0.002 0.000 1.514 78 M HN 0.422 nan 8.290 nan 0.000 0.452 79 K N 0.198 120.596 120.400 -0.002 0.000 3.251 79 K HA -0.160 4.160 4.320 0.001 0.000 0.282 79 K C 0.206 176.812 176.600 0.010 0.000 1.201 79 K CA 0.298 56.591 56.287 0.009 0.000 0.827 79 K CB -0.861 31.647 32.500 0.013 0.000 1.286 79 K HN 0.520 nan 8.250 nan 0.000 0.503 80 R N -0.451 120.047 120.500 -0.004 0.000 2.437 80 R HA 0.123 4.464 4.340 0.001 0.000 0.257 80 R C 1.231 177.539 176.300 0.012 0.000 0.927 80 R CA 0.871 56.969 56.100 -0.004 0.000 1.078 80 R CB 0.724 30.995 30.300 -0.048 0.000 1.161 80 R HN 0.499 nan 8.270 nan 0.000 0.529 81 G N 1.850 110.666 108.800 0.027 0.000 2.137 81 G HA2 -0.350 3.611 3.960 0.001 0.000 0.237 81 G HA3 -0.350 3.611 3.960 0.001 0.000 0.237 81 G C 0.936 175.891 174.900 0.092 0.000 1.002 81 G CA 0.728 45.865 45.100 0.060 0.000 0.702 81 G HN 0.343 nan 8.290 nan 0.000 0.515 82 K N 0.721 121.153 120.400 0.053 0.000 2.074 82 K HA -0.195 4.125 4.320 0.001 0.000 0.209 82 K C 2.739 179.431 176.600 0.153 0.000 1.048 82 K CA 2.312 58.655 56.287 0.093 0.000 0.926 82 K CB -0.279 32.221 32.500 -0.000 0.000 0.713 82 K HN 0.724 nan 8.250 nan 0.000 0.444 83 S N -0.918 114.832 115.700 0.082 0.000 2.470 83 S HA -0.032 4.438 4.470 0.001 0.000 0.225 83 S C 1.815 176.444 174.600 0.049 0.000 1.006 83 S CA 1.095 59.328 58.200 0.055 0.000 0.934 83 S CB 0.006 63.227 63.200 0.035 0.000 0.778 83 S HN 0.240 nan 8.310 nan 0.000 0.517 84 T N 2.179 116.780 114.554 0.079 0.000 2.851 84 T HA 0.085 4.435 4.350 0.001 0.000 0.262 84 T C 1.272 176.041 174.700 0.116 0.000 1.043 84 T CA 1.093 63.238 62.100 0.075 0.000 1.140 84 T CB -0.544 68.375 68.868 0.084 0.000 0.872 84 T HN 0.465 nan 8.240 nan 0.000 0.446 85 F N 2.136 122.125 119.950 0.065 0.000 2.091 85 F HA -0.105 4.423 4.527 0.001 0.000 0.299 85 F C 1.874 177.752 175.800 0.130 0.000 1.103 85 F CA 1.211 59.290 58.000 0.132 0.000 1.228 85 F CB -0.721 38.301 39.000 0.036 0.000 0.984 85 F HN 0.047 nan 8.300 nan 0.000 0.477 86 L N 0.217 121.286 121.223 -0.257 0.000 2.046 86 L HA -0.262 4.079 4.340 0.001 0.000 0.208 86 L C 2.373 179.093 176.870 -0.250 0.000 1.077 86 L CA 1.397 56.015 54.840 -0.370 0.000 0.747 86 L CB -0.843 41.140 42.059 -0.127 0.000 0.896 86 L HN 0.197 nan 8.230 nan 0.000 0.432 87 N N 0.329 118.945 118.700 -0.139 0.000 2.069 87 N HA -0.190 4.551 4.740 0.001 0.000 0.191 87 N C 1.848 177.273 175.510 -0.141 0.000 1.031 87 N CA 1.663 54.642 53.050 -0.118 0.000 0.852 87 N CB -0.451 37.995 38.487 -0.069 0.000 1.018 87 N HN 0.324 nan 8.380 nan 0.000 0.423 88 A N 1.583 124.311 122.820 -0.152 0.000 1.908 88 A HA -0.119 4.202 4.320 0.001 0.000 0.218 88 A C 2.369 179.821 177.584 -0.219 0.000 1.181 88 A CA 1.027 52.924 52.037 -0.233 0.000 0.627 88 A CB -0.861 17.924 19.000 -0.359 0.000 0.818 88 A HN 0.282 nan 8.150 nan 0.000 0.445 89 L N -0.010 121.103 121.223 -0.182 0.000 1.970 89 L HA -0.206 4.135 4.340 0.001 0.000 0.212 89 L C 2.660 179.479 176.870 -0.086 0.000 1.071 89 L CA 2.350 57.127 54.840 -0.104 0.000 0.751 89 L CB -0.441 41.448 42.059 -0.284 0.000 0.889 89 L HN 0.688 nan 8.230 nan 0.000 0.432 90 I N -3.557 116.941 120.570 -0.119 0.000 2.394 90 I HA 0.026 4.196 4.170 0.001 0.000 0.251 90 I C 1.566 177.639 176.117 -0.073 0.000 1.136 90 I CA 1.298 62.546 61.300 -0.087 0.000 1.425 90 I CB -0.365 37.568 38.000 -0.111 0.000 1.079 90 I HN 0.393 nan 8.210 nan 0.000 0.425 91 G N 0.948 109.693 108.800 -0.092 0.000 2.367 91 G HA2 -0.127 3.834 3.960 0.001 0.000 0.181 91 G HA3 -0.127 3.834 3.960 0.001 0.000 0.181 91 G C -0.001 174.855 174.900 -0.074 0.000 1.000 91 G CA 0.066 45.121 45.100 -0.075 0.000 0.693 91 G HN 0.706 nan 8.290 nan 0.000 0.480 92 E N -0.488 119.657 120.200 -0.091 0.000 2.430 92 E HA 0.486 4.837 4.350 0.001 0.000 0.279 92 E C -1.209 175.338 176.600 -0.088 0.000 1.003 92 E CA -1.217 55.136 56.400 -0.078 0.000 0.801 92 E CB 0.678 30.343 29.700 -0.058 0.000 1.313 92 E HN -0.048 nan 8.360 nan 0.000 0.459 93 N N 1.566 120.235 118.700 -0.051 0.000 2.605 93 N HA 0.073 4.813 4.740 0.001 0.000 0.282 93 N C -0.344 175.153 175.510 -0.023 0.000 1.206 93 N CA 0.094 53.127 53.050 -0.029 0.000 1.074 93 N CB 0.072 38.559 38.487 -0.001 0.000 1.434 93 N HN 0.699 nan 8.380 nan 0.000 0.506 94 L N 2.648 123.831 121.223 -0.066 0.000 2.515 94 L HA 0.314 4.655 4.340 0.001 0.000 0.202 94 L C -0.162 176.735 176.870 0.045 0.000 1.056 94 L CA 0.063 54.853 54.840 -0.084 0.000 0.847 94 L CB 0.118 41.967 42.059 -0.351 0.000 1.131 94 L HN 0.190 nan 8.230 nan 0.000 0.484 95 L N 2.549 123.777 121.223 0.008 0.000 2.349 95 L HA 0.328 4.668 4.340 0.001 0.000 0.275 95 L C -2.007 174.894 176.870 0.051 0.000 1.115 95 L CA -1.970 52.899 54.840 0.048 0.000 0.820 95 L CB -0.307 41.763 42.059 0.019 0.000 1.135 95 L HN 0.063 nan 8.230 nan 0.000 0.445 96 P HA 0.076 nan 4.420 nan 0.000 0.271 96 P C -0.326 176.999 177.300 0.041 0.000 1.218 96 P CA -0.447 62.682 63.100 0.049 0.000 0.780 96 P CB 0.680 32.408 31.700 0.047 0.000 0.901 97 S N 1.168 116.889 115.700 0.035 0.000 2.533 97 S HA 0.046 4.517 4.470 0.001 0.000 0.282 97 S C 0.385 175.004 174.600 0.032 0.000 1.304 97 S CA -0.693 57.527 58.200 0.033 0.000 1.063 97 S CB -0.322 62.897 63.200 0.031 0.000 0.881 97 S HN 0.492 nan 8.310 nan 0.000 0.493 98 D N 3.783 124.201 120.400 0.029 0.000 2.455 98 D HA 0.071 4.711 4.640 0.001 0.000 0.234 98 D C 1.159 177.471 176.300 0.020 0.000 1.224 98 D CA -0.541 53.473 54.000 0.024 0.000 0.999 98 D CB 0.293 41.101 40.800 0.014 0.000 1.072 98 D HN 0.505 nan 8.370 nan 0.000 0.514 99 V N -0.427 119.501 119.914 0.023 0.000 3.548 99 V HA 0.289 4.410 4.120 0.001 0.000 0.279 99 V C 0.290 176.395 176.094 0.019 0.000 1.446 99 V CA -0.484 61.828 62.300 0.019 0.000 1.023 99 V CB -0.750 31.084 31.823 0.019 0.000 0.820 99 V HN 0.193 nan 8.190 nan 0.000 0.438 100 N N 1.959 120.673 118.700 0.023 0.000 2.446 100 N HA 0.511 5.251 4.740 0.001 0.000 0.265 100 N C -1.602 173.923 175.510 0.026 0.000 0.975 100 N CA -1.606 51.457 53.050 0.021 0.000 0.928 100 N CB 2.438 40.937 38.487 0.020 0.000 1.160 100 N HN -0.019 nan 8.380 nan 0.000 0.495 101 P HA -0.134 nan 4.420 nan 0.000 0.217 101 P C -0.146 177.173 177.300 0.033 0.000 1.151 101 P CA 1.041 64.156 63.100 0.026 0.000 0.849 101 P CB -0.098 31.616 31.700 0.023 0.000 0.787 102 C N -2.717 116.599 119.300 0.027 0.000 3.335 102 C HA 0.695 5.155 4.460 0.001 0.000 0.217 102 C C 0.938 175.942 174.990 0.022 0.000 1.330 102 C CA -0.399 58.637 59.018 0.030 0.000 1.470 102 C CB -0.534 27.215 27.740 0.016 0.000 1.806 102 C HN 0.062 nan 8.230 nan 0.000 0.468 103 T N -0.112 114.482 114.554 0.068 0.000 3.100 103 T HA 0.359 4.710 4.350 0.001 0.000 0.255 103 T C 1.040 175.859 174.700 0.199 0.000 0.893 103 T CA 0.687 62.859 62.100 0.121 0.000 0.882 103 T CB 0.256 69.176 68.868 0.086 0.000 1.266 103 T HN 0.814 nan 8.240 nan 0.000 0.528 104 A N 2.257 125.155 122.820 0.129 0.000 2.388 104 A HA 0.643 4.964 4.320 0.001 0.000 0.257 104 A C -0.083 177.575 177.584 0.123 0.000 1.095 104 A CA -0.274 51.830 52.037 0.111 0.000 0.791 104 A CB 0.089 19.129 19.000 0.066 0.000 1.029 104 A HN 0.519 nan 8.150 nan 0.000 0.489 105 V N 1.139 121.113 119.914 0.101 0.000 2.686 105 V HA 0.541 4.661 4.120 0.001 0.000 0.306 105 V C -0.231 175.895 176.094 0.052 0.000 1.065 105 V CA -1.134 61.217 62.300 0.084 0.000 0.894 105 V CB 1.041 32.907 31.823 0.071 0.000 1.004 105 V HN 1.081 nan 8.190 nan 0.000 0.424 106 L N 3.972 125.226 121.223 0.051 0.000 2.706 106 L HA 0.287 4.627 4.340 0.001 0.000 0.282 106 L C 0.325 177.212 176.870 0.028 0.000 1.219 106 L CA 1.786 56.640 54.840 0.024 0.000 0.935 106 L CB -0.106 41.970 42.059 0.028 0.000 1.204 106 L HN 0.987 nan 8.230 nan 0.000 0.491 107 T N 4.970 119.515 114.554 -0.016 0.000 2.807 107 T HA 0.614 4.964 4.350 0.001 0.000 0.279 107 T C -0.386 174.280 174.700 -0.056 0.000 0.993 107 T CA -0.578 61.509 62.100 -0.022 0.000 0.970 107 T CB 1.589 70.447 68.868 -0.018 0.000 0.950 107 T HN 0.406 nan 8.240 nan 0.000 0.441 108 V N 3.646 123.541 119.914 -0.031 0.000 2.532 108 V HA 0.650 4.770 4.120 0.001 0.000 0.295 108 V C -0.631 175.439 176.094 -0.041 0.000 1.041 108 V CA -0.843 61.427 62.300 -0.051 0.000 0.926 108 V CB 1.628 33.450 31.823 -0.002 0.000 0.992 108 V HN 0.678 nan 8.190 nan 0.000 0.457 109 L N 6.060 127.261 121.223 -0.037 0.000 2.441 109 L HA 0.745 5.085 4.340 0.001 0.000 0.270 109 L C -0.330 176.539 176.870 -0.002 0.000 0.973 109 L CA -0.091 54.732 54.840 -0.029 0.000 0.842 109 L CB 1.235 43.267 42.059 -0.044 0.000 1.239 109 L HN 0.877 nan 8.230 nan 0.000 0.406 110 R N 2.663 123.171 120.500 0.013 0.000 2.795 110 R HA 0.456 4.796 4.340 0.001 0.000 0.268 110 R C -1.268 175.074 176.300 0.070 0.000 1.041 110 R CA -1.023 55.106 56.100 0.049 0.000 0.927 110 R CB 0.898 31.227 30.300 0.049 0.000 1.235 110 R HN 0.349 nan 8.270 nan 0.000 0.463 111 Y N 0.248 120.540 120.300 -0.012 0.000 2.550 111 Y HA 0.430 4.981 4.550 0.001 0.000 0.343 111 Y C 0.066 175.953 175.900 -0.022 0.000 1.245 111 Y CA 1.567 59.657 58.100 -0.017 0.000 1.462 111 Y CB 1.056 39.499 38.460 -0.028 0.000 1.340 111 Y HN 0.847 nan 8.280 nan 0.000 0.604 112 G N 5.059 113.213 108.800 -1.076 0.000 2.733 112 G HA2 0.354 4.315 3.960 0.001 0.000 0.297 112 G HA3 0.354 4.315 3.960 0.001 0.000 0.297 112 G C -2.853 171.468 174.900 -0.965 0.000 1.452 112 G CA -1.202 43.420 45.100 -0.797 0.000 0.940 112 G HN 0.335 nan 8.290 nan 0.000 0.547 113 P HA -0.014 nan 4.420 nan 0.000 0.217 113 P C 0.472 177.604 177.300 -0.281 0.000 1.150 113 P CA 1.137 64.042 63.100 -0.324 0.000 0.832 113 P CB 0.518 32.138 31.700 -0.132 0.000 0.787 114 E N -0.933 119.109 120.200 -0.263 0.000 2.256 114 E HA 0.260 4.611 4.350 0.001 0.000 0.267 114 E C -0.553 175.881 176.600 -0.276 0.000 0.892 114 E CA -0.922 55.336 56.400 -0.237 0.000 0.775 114 E CB 1.298 30.912 29.700 -0.144 0.000 1.207 114 E HN -0.132 nan 8.360 nan 0.000 0.420 115 K N 2.910 123.115 120.400 -0.324 0.000 2.166 115 K HA 0.113 4.434 4.320 0.001 0.000 0.273 115 K C -0.585 175.982 176.600 -0.056 0.000 1.095 115 K CA 0.388 56.466 56.287 -0.349 0.000 0.985 115 K CB 0.144 32.326 32.500 -0.530 0.000 1.172 115 K HN 0.111 nan 8.250 nan 0.000 0.401 116 K N 1.407 121.778 120.400 -0.049 0.000 2.259 116 K HA 0.476 4.796 4.320 0.001 0.000 0.252 116 K C -0.848 175.743 176.600 -0.014 0.000 0.936 116 K CA -0.982 55.303 56.287 -0.003 0.000 0.810 116 K CB 2.359 34.833 32.500 -0.042 0.000 1.143 116 K HN 0.034 nan 8.250 nan 0.000 0.427 117 V N 2.065 121.943 119.914 -0.061 0.000 2.407 117 V HA 0.229 4.349 4.120 0.001 0.000 0.291 117 V C -0.581 175.379 176.094 -0.222 0.000 1.018 117 V CA -0.792 61.352 62.300 -0.260 0.000 0.842 117 V CB 1.737 33.134 31.823 -0.710 0.000 0.996 117 V HN 0.776 nan 8.190 nan 0.000 0.426 118 T N 6.553 120.992 114.554 -0.192 0.000 2.738 118 T HA 0.562 4.913 4.350 0.001 0.000 0.298 118 T C -0.019 174.571 174.700 -0.184 0.000 0.962 118 T CA -0.003 62.021 62.100 -0.127 0.000 0.972 118 T CB 0.290 69.144 68.868 -0.024 0.000 0.928 118 T HN 0.392 nan 8.240 nan 0.000 0.474 119 I N 4.185 124.611 120.570 -0.242 0.000 2.312 119 I HA 0.230 4.401 4.170 0.001 0.000 0.291 119 I C 0.136 175.962 176.117 -0.483 0.000 1.031 119 I CA -0.689 60.364 61.300 -0.412 0.000 1.293 119 I CB 0.404 38.094 38.000 -0.517 0.000 1.403 119 I HN 0.552 nan 8.210 nan 0.000 0.484 120 H N 5.943 124.590 119.070 -0.705 0.000 2.502 120 H HA 0.466 5.022 4.556 0.001 0.000 0.327 120 H C -0.767 174.262 175.328 -0.497 0.000 1.099 120 H CA -0.159 55.549 56.048 -0.567 0.000 1.323 120 H CB 0.752 30.002 29.762 -0.854 0.000 1.450 120 H HN 0.287 nan 8.280 nan 0.000 0.502 121 F N 0.790 120.745 119.950 0.008 0.000 2.470 121 F HA 0.215 4.743 4.527 0.001 0.000 0.329 121 F C 1.736 177.590 175.800 0.090 0.000 1.072 121 F CA -0.607 57.424 58.000 0.052 0.000 0.989 121 F CB 1.090 40.112 39.000 0.035 0.000 1.193 121 F HN 0.671 nan 8.300 nan 0.000 0.481 122 N N -0.290 118.596 118.700 0.311 0.000 2.388 122 N HA -0.079 4.662 4.740 0.001 0.000 0.176 122 N C 0.275 175.888 175.510 0.172 0.000 1.062 122 N CA 0.494 53.673 53.050 0.215 0.000 0.895 122 N CB -0.073 38.523 38.487 0.181 0.000 1.018 122 N HN 0.623 nan 8.380 nan 0.000 0.456 123 D N -0.270 120.236 120.400 0.177 0.000 2.370 123 D HA 0.185 4.825 4.640 0.001 0.000 0.230 123 D C 1.225 177.558 176.300 0.056 0.000 1.143 123 D CA 0.287 54.346 54.000 0.098 0.000 0.834 123 D CB 0.073 40.919 40.800 0.076 0.000 0.944 123 D HN 0.426 nan 8.370 nan 0.000 0.504 124 G N 0.701 109.550 108.800 0.082 0.000 2.308 124 G HA2 -0.310 3.650 3.960 0.001 0.000 0.221 124 G HA3 -0.310 3.650 3.960 0.001 0.000 0.221 124 G C 0.353 175.266 174.900 0.022 0.000 1.032 124 G CA 0.051 45.181 45.100 0.049 0.000 0.623 124 G HN 0.721 nan 8.290 nan 0.000 0.506 125 K N 1.313 121.683 120.400 -0.049 0.000 2.286 125 K HA 0.563 4.883 4.320 0.001 0.000 0.256 125 K C 0.253 176.831 176.600 -0.037 0.000 0.999 125 K CA 0.265 56.476 56.287 -0.127 0.000 0.908 125 K CB 0.551 32.857 32.500 -0.324 0.000 0.981 125 K HN 0.100 nan 8.250 nan 0.000 0.500 126 S N 2.245 117.923 115.700 -0.038 0.000 2.546 126 S HA 0.065 4.535 4.470 0.001 0.000 0.290 126 S C -2.184 172.485 174.600 0.115 0.000 1.290 126 S CA -0.902 57.308 58.200 0.017 0.000 1.069 126 S CB -0.005 63.192 63.200 -0.005 0.000 0.846 126 S HN 0.424 nan 8.310 nan 0.000 0.495 127 P HA -0.034 nan 4.420 nan 0.000 0.254 127 P C -0.360 176.971 177.300 0.051 0.000 1.186 127 P CA 0.205 63.287 63.100 -0.030 0.000 0.868 127 P CB -0.025 31.449 31.700 -0.377 0.000 0.856 128 Q N 3.020 122.971 119.800 0.253 0.000 2.244 128 Q HA -0.026 4.315 4.340 0.001 0.000 0.278 128 Q C -0.133 175.908 176.000 0.069 0.000 1.093 128 Q CA 0.164 56.093 55.803 0.209 0.000 0.916 128 Q CB 0.390 29.369 28.738 0.403 0.000 1.159 128 Q HN 0.372 nan 8.270 nan 0.000 0.384 129 Q N 3.998 123.826 119.800 0.047 0.000 2.245 129 Q HA 0.580 4.920 4.340 0.001 0.000 0.256 129 Q C -1.743 174.289 176.000 0.053 0.000 0.942 129 Q CA -0.762 55.052 55.803 0.019 0.000 0.896 129 Q CB 0.899 29.636 28.738 -0.001 0.000 1.272 129 Q HN 0.521 nan 8.270 nan 0.000 0.442 130 L N 0.256 121.512 121.223 0.054 0.000 2.556 130 L HA 0.526 4.867 4.340 0.001 0.000 0.257 130 L C -1.173 175.753 176.870 0.092 0.000 0.955 130 L CA -1.093 53.801 54.840 0.091 0.000 0.850 130 L CB 0.920 43.071 42.059 0.153 0.000 1.398 130 L HN 0.478 nan 8.230 nan 0.000 0.412 131 D N 0.610 121.069 120.400 0.098 0.000 2.400 131 D HA 0.105 4.746 4.640 0.001 0.000 0.238 131 D C 0.910 177.333 176.300 0.205 0.000 1.157 131 D CA 0.042 54.113 54.000 0.118 0.000 0.889 131 D CB 0.677 41.530 40.800 0.088 0.000 1.199 131 D HN 0.662 nan 8.370 nan 0.000 0.436 132 F N 1.028 121.032 119.950 0.090 0.000 2.087 132 F HA -0.319 4.209 4.527 0.001 0.000 0.299 132 F C 2.255 178.218 175.800 0.271 0.000 1.100 132 F CA 1.762 59.878 58.000 0.194 0.000 1.226 132 F CB 0.194 39.308 39.000 0.190 0.000 0.983 132 F HN 0.372 nan 8.300 nan 0.000 0.479 133 Q N -0.400 119.505 119.800 0.176 0.000 2.167 133 Q HA -0.205 4.136 4.340 0.001 0.000 0.202 133 Q C 1.993 178.028 176.000 0.058 0.000 0.970 133 Q CA 1.155 56.996 55.803 0.063 0.000 0.855 133 Q CB -0.311 28.499 28.738 0.120 0.000 0.911 133 Q HN 0.387 nan 8.270 nan 0.000 0.438 134 N N 0.708 119.473 118.700 0.108 0.000 2.039 134 N HA -0.194 4.547 4.740 0.001 0.000 0.193 134 N C 1.447 177.053 175.510 0.159 0.000 1.044 134 N CA 1.253 54.386 53.050 0.138 0.000 0.847 134 N CB -0.436 38.132 38.487 0.134 0.000 1.030 134 N HN 0.221 nan 8.380 nan 0.000 0.422 135 F N 1.788 121.748 119.950 0.017 0.000 2.043 135 F HA -0.265 4.263 4.527 0.001 0.000 0.297 135 F C 2.426 178.211 175.800 -0.026 0.000 1.118 135 F CA 2.007 60.014 58.000 0.013 0.000 1.202 135 F CB -0.311 38.634 39.000 -0.091 0.000 0.965 135 F HN 0.018 nan 8.300 nan 0.000 0.482 136 K N -0.828 119.346 120.400 -0.378 0.000 2.063 136 K HA -0.285 4.035 4.320 0.001 0.000 0.208 136 K C 2.227 178.656 176.600 -0.285 0.000 1.048 136 K CA 1.930 57.909 56.287 -0.514 0.000 0.928 136 K CB -0.750 31.489 32.500 -0.435 0.000 0.713 136 K HN 0.565 nan 8.250 nan 0.000 0.442 137 Y N 1.208 121.376 120.300 -0.220 0.000 2.224 137 Y HA -0.209 4.342 4.550 0.001 0.000 0.289 137 Y C 2.030 177.832 175.900 -0.163 0.000 1.146 137 Y CA 1.627 59.640 58.100 -0.145 0.000 1.182 137 Y CB 0.148 38.557 38.460 -0.086 0.000 0.983 137 Y HN -0.050 nan 8.280 nan 0.000 0.524 138 K N -0.771 119.401 120.400 -0.380 0.000 2.062 138 K HA -0.145 4.176 4.320 0.001 0.000 0.205 138 K C 0.805 177.021 176.600 -0.640 0.000 1.051 138 K CA 1.451 57.413 56.287 -0.542 0.000 0.941 138 K CB -0.226 32.042 32.500 -0.386 0.000 0.719 138 K HN 0.369 nan 8.250 nan 0.000 0.440 139 Y N 0.456 120.429 120.300 -0.544 0.000 2.532 139 Y HA 0.099 4.650 4.550 0.001 0.000 0.283 139 Y C 0.008 175.755 175.900 -0.254 0.000 1.181 139 Y CA -0.021 57.734 58.100 -0.574 0.000 1.256 139 Y CB 0.660 38.507 38.460 -1.021 0.000 1.112 139 Y HN -0.204 nan 8.280 nan 0.000 0.521 140 T N 3.977 118.445 114.554 -0.143 0.000 2.749 140 T HA 0.356 4.706 4.350 0.001 0.000 0.287 140 T C -0.073 174.606 174.700 -0.036 0.000 0.970 140 T CA -0.570 61.493 62.100 -0.062 0.000 0.980 140 T CB 1.001 69.812 68.868 -0.095 0.000 0.924 140 T HN 0.111 nan 8.240 nan 0.000 0.456 141 I N 1.602 122.184 120.570 0.020 0.000 2.498 141 I HA 0.485 4.655 4.170 0.001 0.000 0.301 141 I C 0.027 176.128 176.117 -0.026 0.000 0.984 141 I CA -1.060 60.227 61.300 -0.021 0.000 1.204 141 I CB 1.319 39.292 38.000 -0.046 0.000 1.362 141 I HN 0.588 nan 8.210 nan 0.000 0.471 142 D N 6.248 126.627 120.400 -0.036 0.000 2.399 142 D HA 0.132 4.772 4.640 0.001 0.000 0.241 142 D C -2.177 174.113 176.300 -0.018 0.000 1.133 142 D CA -1.372 52.615 54.000 -0.022 0.000 0.890 142 D CB 0.674 41.461 40.800 -0.021 0.000 1.201 142 D HN 0.362 nan 8.370 nan 0.000 0.432 143 P HA -0.163 nan 4.420 nan 0.000 0.219 143 P C 1.020 178.314 177.300 -0.010 0.000 1.144 143 P CA 2.006 65.102 63.100 -0.006 0.000 0.806 143 P CB 0.133 31.833 31.700 -0.000 0.000 0.771 144 A N -0.115 122.696 122.820 -0.014 0.000 1.843 144 A HA -0.172 4.149 4.320 0.001 0.000 0.213 144 A C 2.358 179.928 177.584 -0.024 0.000 1.202 144 A CA 1.621 53.649 52.037 -0.016 0.000 0.607 144 A CB -1.317 17.674 19.000 -0.015 0.000 0.847 144 A HN 0.127 nan 8.150 nan 0.000 0.445 145 E N 0.418 120.597 120.200 -0.034 0.000 2.147 145 E HA -0.184 4.167 4.350 0.001 0.000 0.199 145 E C 1.890 178.458 176.600 -0.053 0.000 1.005 145 E CA 1.860 58.230 56.400 -0.050 0.000 0.810 145 E CB -0.405 29.255 29.700 -0.067 0.000 0.736 145 E HN 0.494 nan 8.360 nan 0.000 0.460 146 A N 0.775 123.570 122.820 -0.042 0.000 1.902 146 A HA -0.202 4.119 4.320 0.001 0.000 0.217 146 A C 1.986 179.555 177.584 -0.025 0.000 1.181 146 A CA 1.773 53.789 52.037 -0.035 0.000 0.623 146 A CB -0.422 18.567 19.000 -0.019 0.000 0.818 146 A HN 0.138 nan 8.150 nan 0.000 0.443 147 K N 0.218 120.607 120.400 -0.018 0.000 2.057 147 K HA -0.104 4.217 4.320 0.001 0.000 0.206 147 K C 1.881 178.473 176.600 -0.015 0.000 1.050 147 K CA 1.553 57.833 56.287 -0.012 0.000 0.935 147 K CB -0.338 32.158 32.500 -0.008 0.000 0.715 147 K HN 0.500 nan 8.250 nan 0.000 0.439 148 K N 0.481 120.868 120.400 -0.021 0.000 2.057 148 K HA -0.049 4.271 4.320 0.001 0.000 0.206 148 K C 2.168 178.752 176.600 -0.026 0.000 1.050 148 K CA 0.723 56.998 56.287 -0.022 0.000 0.935 148 K CB -0.099 32.386 32.500 -0.025 0.000 0.715 148 K HN -0.093 nan 8.250 nan 0.000 0.439 149 L N 1.585 122.785 121.223 -0.038 0.000 2.093 149 L HA -0.131 4.209 4.340 0.001 0.000 0.208 149 L C 2.321 179.174 176.870 -0.028 0.000 1.085 149 L CA 1.628 56.442 54.840 -0.044 0.000 0.755 149 L CB -0.581 41.433 42.059 -0.076 0.000 0.904 149 L HN 0.235 nan 8.230 nan 0.000 0.435 150 E N -0.110 120.077 120.200 -0.022 0.000 2.023 150 E HA -0.250 4.101 4.350 0.001 0.000 0.196 150 E C 1.406 178.005 176.600 -0.001 0.000 1.003 150 E CA 1.233 57.628 56.400 -0.009 0.000 0.809 150 E CB -0.031 29.666 29.700 -0.005 0.000 0.755 150 E HN 0.545 nan 8.360 nan 0.000 0.449 151 Q N -0.117 119.681 119.800 -0.002 0.000 2.259 151 Q HA 0.021 4.361 4.340 0.001 0.000 0.228 151 Q C 0.323 176.325 176.000 0.003 0.000 0.909 151 Q CA 0.090 55.895 55.803 0.003 0.000 0.948 151 Q CB 0.510 29.250 28.738 0.003 0.000 1.041 151 Q HN 0.320 nan 8.270 nan 0.000 0.445 152 E N -0.415 119.786 120.200 0.001 0.000 3.139 152 E HA 0.170 4.521 4.350 0.001 0.000 0.230 152 E C 1.029 177.633 176.600 0.007 0.000 1.162 152 E CA -0.214 56.188 56.400 0.003 0.000 0.976 152 E CB 0.669 30.366 29.700 -0.004 0.000 3.084 152 E HN -0.060 nan 8.360 nan 0.000 0.569 153 K N 0.113 120.515 120.400 0.004 0.000 2.948 153 K HA 0.123 4.444 4.320 0.001 0.000 0.182 153 K C -0.271 176.334 176.600 0.007 0.000 1.750 153 K CA 0.012 56.305 56.287 0.011 0.000 1.390 153 K CB 0.657 33.165 32.500 0.014 0.000 1.986 153 K HN -0.143 nan 8.250 nan 0.000 0.628 154 K N 3.296 123.692 120.400 -0.006 0.000 2.349 154 K HA 0.030 4.351 4.320 0.001 0.000 0.288 154 K C -0.434 176.151 176.600 -0.025 0.000 1.058 154 K CA 0.035 56.314 56.287 -0.013 0.000 0.953 154 K CB 0.923 33.407 32.500 -0.027 0.000 0.997 154 K HN 0.194 nan 8.250 nan 0.000 0.477 155 Q N 3.300 123.098 119.800 -0.004 0.000 2.255 155 Q HA -0.037 4.303 4.340 0.001 0.000 0.280 155 Q C 0.652 176.613 176.000 -0.064 0.000 1.068 155 Q CA 0.047 55.849 55.803 -0.000 0.000 0.911 155 Q CB 0.955 29.723 28.738 0.051 0.000 1.157 155 Q HN 0.785 nan 8.270 nan 0.000 0.380 156 A N 5.002 127.722 122.820 -0.168 0.000 2.024 156 A HA -0.118 4.203 4.320 0.001 0.000 0.220 156 A C 0.104 177.241 177.584 -0.745 0.000 1.164 156 A CA 1.040 52.782 52.037 -0.491 0.000 0.643 156 A CB -0.068 18.533 19.000 -0.665 0.000 0.806 156 A HN 0.693 nan 8.150 nan 0.000 0.451 157 F N -1.626 118.379 119.950 0.092 0.000 2.686 157 F HA 0.351 4.879 4.527 0.001 0.000 0.365 157 F C -2.099 173.782 175.800 0.135 0.000 1.196 157 F CA -1.907 56.177 58.000 0.139 0.000 1.198 157 F CB 1.556 40.687 39.000 0.218 0.000 1.454 157 F HN -0.035 nan 8.300 nan 0.000 0.539 158 P HA -0.148 nan 4.420 nan 0.000 0.216 158 P C 1.270 178.700 177.300 0.216 0.000 1.153 158 P CA 1.357 64.561 63.100 0.174 0.000 0.844 158 P CB 0.199 31.968 31.700 0.116 0.000 0.787 159 D N -0.579 119.986 120.400 0.275 0.000 2.310 159 D HA -0.061 4.580 4.640 0.001 0.000 0.212 159 D C 0.423 176.989 176.300 0.443 0.000 0.965 159 D CA 0.547 54.754 54.000 0.345 0.000 0.879 159 D CB -0.707 40.309 40.800 0.360 0.000 0.921 159 D HN 0.042 nan 8.370 nan 0.000 0.510 160 V N 2.252 122.364 119.914 0.331 0.000 2.427 160 V HA -0.004 4.117 4.120 0.001 0.000 0.268 160 V C 1.142 177.297 176.094 0.103 0.000 1.046 160 V CA -0.236 62.136 62.300 0.120 0.000 0.970 160 V CB 1.404 33.275 31.823 0.079 0.000 1.001 160 V HN 0.021 nan 8.190 nan 0.000 0.476 161 D N 3.939 124.373 120.400 0.056 0.000 2.278 161 D HA 0.028 4.669 4.640 0.001 0.000 0.228 161 D C 0.031 176.443 176.300 0.186 0.000 1.020 161 D CA 1.152 55.245 54.000 0.157 0.000 0.922 161 D CB 0.465 41.410 40.800 0.242 0.000 1.051 161 D HN 0.607 nan 8.370 nan 0.000 0.452 162 Y N -1.288 118.978 120.300 -0.056 0.000 2.519 162 Y HA 0.672 5.223 4.550 0.001 0.000 0.336 162 Y C -1.328 174.475 175.900 -0.162 0.000 1.089 162 Y CA -1.443 56.597 58.100 -0.100 0.000 1.025 162 Y CB 1.095 39.504 38.460 -0.086 0.000 1.318 162 Y HN 0.054 nan 8.280 nan 0.000 0.452 163 A N 2.815 125.541 122.820 -0.157 0.000 2.305 163 A HA 0.734 5.054 4.320 0.001 0.000 0.322 163 A C -1.292 176.175 177.584 -0.194 0.000 1.187 163 A CA -0.828 51.033 52.037 -0.294 0.000 0.825 163 A CB 1.103 19.894 19.000 -0.349 0.000 1.164 163 A HN 0.761 nan 8.150 nan 0.000 0.498 164 V N 3.847 123.622 119.914 -0.232 0.000 2.313 164 V HA 0.253 4.373 4.120 0.001 0.000 0.278 164 V C -0.249 175.750 176.094 -0.159 0.000 1.017 164 V CA -0.410 61.814 62.300 -0.127 0.000 0.823 164 V CB 1.063 32.845 31.823 -0.068 0.000 1.010 164 V HN 0.612 nan 8.190 nan 0.000 0.443 165 V N 4.937 124.772 119.914 -0.133 0.000 2.406 165 V HA 0.343 4.464 4.120 0.001 0.000 0.272 165 V C 0.281 176.354 176.094 -0.034 0.000 1.043 165 V CA -0.494 61.752 62.300 -0.090 0.000 0.915 165 V CB 1.272 33.071 31.823 -0.041 0.000 0.988 165 V HN 0.844 nan 8.190 nan 0.000 0.466 166 E N 3.565 123.745 120.200 -0.033 0.000 2.156 166 E HA 0.536 4.887 4.350 0.001 0.000 0.279 166 E C -1.628 174.936 176.600 -0.060 0.000 0.965 166 E CA -0.467 55.896 56.400 -0.062 0.000 0.789 166 E CB 1.860 31.491 29.700 -0.113 0.000 1.098 166 E HN 0.639 nan 8.360 nan 0.000 0.397 167 Y N 2.811 122.959 120.300 -0.252 0.000 2.534 167 Y HA 0.256 4.807 4.550 0.001 0.000 0.345 167 Y C -2.184 173.545 175.900 -0.284 0.000 1.031 167 Y CA -2.311 55.617 58.100 -0.285 0.000 1.022 167 Y CB 2.285 40.573 38.460 -0.287 0.000 1.292 167 Y HN 0.380 nan 8.280 nan 0.000 0.459 168 P HA 0.152 nan 4.420 nan 0.000 0.218 168 P C -0.899 176.478 177.300 0.128 0.000 1.793 168 P CA 0.445 63.459 63.100 -0.144 0.000 0.941 168 P CB -0.406 31.177 31.700 -0.195 0.000 1.919 169 L N 0.574 121.921 121.223 0.206 0.000 2.305 169 L HA 0.195 4.535 4.340 0.001 0.000 0.281 169 L C 2.338 179.302 176.870 0.157 0.000 1.085 169 L CA -0.235 54.703 54.840 0.162 0.000 0.813 169 L CB 0.951 43.070 42.059 0.100 0.000 1.157 169 L HN 0.043 nan 8.230 nan 0.000 0.436 170 T N 2.651 117.249 114.554 0.072 0.000 2.777 170 T HA -0.162 4.189 4.350 0.001 0.000 0.266 170 T C 1.730 176.398 174.700 -0.053 0.000 1.040 170 T CA 1.011 63.112 62.100 0.002 0.000 1.141 170 T CB 0.030 68.885 68.868 -0.021 0.000 0.868 170 T HN 0.521 nan 8.240 nan 0.000 0.444 171 L N 0.498 121.696 121.223 -0.043 0.000 2.043 171 L HA -0.031 4.310 4.340 0.001 0.000 0.212 171 L C 2.312 179.136 176.870 -0.078 0.000 1.075 171 L CA 1.932 56.721 54.840 -0.084 0.000 0.752 171 L CB -0.772 41.262 42.059 -0.042 0.000 0.891 171 L HN 0.437 nan 8.230 nan 0.000 0.432 172 L N -0.703 120.519 121.223 -0.003 0.000 2.478 172 L HA -0.136 4.205 4.340 0.001 0.000 0.223 172 L C 2.506 179.385 176.870 0.015 0.000 1.140 172 L CA 0.443 55.306 54.840 0.038 0.000 0.842 172 L CB -0.336 41.788 42.059 0.108 0.000 0.953 172 L HN 0.432 nan 8.230 nan 0.000 0.452 173 Q N 0.514 120.246 119.800 -0.113 0.000 2.245 173 Q HA -0.112 4.228 4.340 0.001 0.000 0.201 173 Q C 1.250 177.037 176.000 -0.354 0.000 0.955 173 Q CA 0.798 56.291 55.803 -0.515 0.000 0.870 173 Q CB 0.386 28.697 28.738 -0.711 0.000 0.945 173 Q HN 0.235 nan 8.270 nan 0.000 0.461 174 K N -0.184 120.082 120.400 -0.224 0.000 2.476 174 K HA 0.146 4.467 4.320 0.001 0.000 0.196 174 K C 0.339 176.867 176.600 -0.120 0.000 1.025 174 K CA 0.694 56.869 56.287 -0.186 0.000 1.138 174 K CB 0.627 33.005 32.500 -0.203 0.000 0.860 174 K HN 0.335 nan 8.250 nan 0.000 0.515 175 G N 1.568 110.310 108.800 -0.098 0.000 2.392 175 G HA2 -0.143 3.818 3.960 0.001 0.000 0.215 175 G HA3 -0.143 3.818 3.960 0.001 0.000 0.215 175 G C -0.334 174.580 174.900 0.023 0.000 1.097 175 G CA -0.616 44.450 45.100 -0.058 0.000 0.840 175 G HN 0.131 nan 8.290 nan 0.000 0.492 176 I N 0.042 120.625 120.570 0.021 0.000 2.530 176 I HA 0.626 4.796 4.170 0.001 0.000 0.297 176 I C 0.098 176.246 176.117 0.052 0.000 1.011 176 I CA -0.845 60.491 61.300 0.060 0.000 1.107 176 I CB 1.997 40.013 38.000 0.025 0.000 1.285 176 I HN 0.370 nan 8.210 nan 0.000 0.436 177 E N 5.754 125.994 120.200 0.067 0.000 2.234 177 E HA 0.600 4.950 4.350 0.001 0.000 0.266 177 E C -1.616 175.013 176.600 0.048 0.000 0.877 177 E CA -0.560 55.871 56.400 0.053 0.000 0.758 177 E CB 2.311 32.046 29.700 0.059 0.000 1.170 177 E HN 0.471 nan 8.360 nan 0.000 0.415 178 I N 4.166 124.744 120.570 0.014 0.000 2.406 178 I HA 0.283 4.454 4.170 0.001 0.000 0.290 178 I C -0.772 175.311 176.117 -0.058 0.000 0.999 178 I CA -1.085 60.213 61.300 -0.003 0.000 1.124 178 I CB 1.922 39.917 38.000 -0.008 0.000 1.289 178 I HN 0.300 nan 8.210 nan 0.000 0.441 179 V N 4.245 124.097 119.914 -0.102 0.000 2.311 179 V HA 0.169 4.289 4.120 0.001 0.000 0.275 179 V C -0.292 175.715 176.094 -0.145 0.000 1.022 179 V CA -0.573 61.601 62.300 -0.211 0.000 0.830 179 V CB 1.225 32.755 31.823 -0.488 0.000 1.012 179 V HN 0.675 nan 8.190 nan 0.000 0.452 180 D N 4.287 124.624 120.400 -0.106 0.000 2.422 180 D HA 0.272 4.912 4.640 0.001 0.000 0.227 180 D C 0.641 176.894 176.300 -0.079 0.000 1.190 180 D CA -0.019 53.941 54.000 -0.066 0.000 0.905 180 D CB 0.829 41.608 40.800 -0.034 0.000 1.034 180 D HN 0.660 nan 8.370 nan 0.000 0.507 181 S N 4.104 119.749 115.700 -0.090 0.000 2.601 181 S HA 0.521 4.992 4.470 0.001 0.000 0.271 181 S C -1.985 172.579 174.600 -0.060 0.000 1.305 181 S CA -1.028 57.125 58.200 -0.078 0.000 1.022 181 S CB 1.534 64.683 63.200 -0.085 0.000 0.940 181 S HN 0.341 nan 8.310 nan 0.000 0.525 182 P HA 0.253 nan 4.420 nan 0.000 0.339 182 P C 0.870 178.137 177.300 -0.055 0.000 1.376 182 P CA -0.125 62.961 63.100 -0.023 0.000 0.797 182 P CB -0.477 31.230 31.700 0.011 0.000 1.872 183 G N -1.206 107.574 108.800 -0.033 0.000 2.683 183 G HA2 0.167 4.127 3.960 0.001 0.000 0.260 183 G HA3 0.167 4.127 3.960 0.001 0.000 0.260 183 G C 0.844 175.708 174.900 -0.060 0.000 1.238 183 G CA -0.348 44.722 45.100 -0.050 0.000 0.934 183 G HN 0.278 nan 8.290 nan 0.000 0.534 184 L N -0.023 121.166 121.223 -0.057 0.000 2.072 184 L HA 0.019 4.360 4.340 0.001 0.000 0.205 184 L C 2.625 179.578 176.870 0.137 0.000 1.079 184 L CA 1.153 55.980 54.840 -0.022 0.000 0.752 184 L CB -1.024 41.045 42.059 0.017 0.000 0.906 184 L HN 0.470 nan 8.230 nan 0.000 0.436 185 N N -0.190 118.578 118.700 0.114 0.000 2.039 185 N HA -0.173 4.568 4.740 0.001 0.000 0.193 185 N C 1.535 177.111 175.510 0.111 0.000 1.044 185 N CA 1.420 54.547 53.050 0.128 0.000 0.847 185 N CB -0.353 38.192 38.487 0.097 0.000 1.030 185 N HN 0.249 nan 8.380 nan 0.000 0.422 186 D N -0.287 120.159 120.400 0.077 0.000 2.149 186 D HA -0.154 4.487 4.640 0.001 0.000 0.194 186 D C 1.890 178.234 176.300 0.074 0.000 1.001 186 D CA 1.931 55.972 54.000 0.069 0.000 0.849 186 D CB -0.506 40.325 40.800 0.053 0.000 0.939 186 D HN 0.481 nan 8.370 nan 0.000 0.449 187 T N -1.008 113.589 114.554 0.072 0.000 2.777 187 T HA -0.144 4.207 4.350 0.001 0.000 0.266 187 T C 1.852 176.620 174.700 0.113 0.000 1.040 187 T CA 1.377 63.527 62.100 0.082 0.000 1.141 187 T CB -0.282 68.623 68.868 0.062 0.000 0.868 187 T HN 0.223 nan 8.240 nan 0.000 0.444 188 E N 2.154 122.467 120.200 0.187 0.000 2.033 188 E HA -0.184 4.167 4.350 0.001 0.000 0.199 188 E C 2.359 179.019 176.600 0.101 0.000 1.011 188 E CA 1.370 57.876 56.400 0.176 0.000 0.815 188 E CB -0.695 29.181 29.700 0.293 0.000 0.755 188 E HN 0.591 nan 8.360 nan 0.000 0.451 189 A N 0.658 123.542 122.820 0.107 0.000 2.194 189 A HA -0.130 4.191 4.320 0.001 0.000 0.220 189 A C 0.821 178.446 177.584 0.068 0.000 1.162 189 A CA 0.863 52.953 52.037 0.087 0.000 0.674 189 A CB -0.287 18.765 19.000 0.086 0.000 0.789 189 A HN 0.114 nan 8.150 nan 0.000 0.470 190 R N -0.235 120.297 120.500 0.054 0.000 2.320 190 R HA 0.268 4.608 4.340 0.001 0.000 0.319 190 R C -0.299 176.006 176.300 0.008 0.000 0.969 190 R CA -0.244 55.881 56.100 0.042 0.000 0.857 190 R CB 0.614 30.946 30.300 0.053 0.000 1.160 190 R HN 0.485 nan 8.270 nan 0.000 0.491 191 N N 1.508 120.210 118.700 0.002 0.000 2.270 191 N HA -0.194 4.547 4.740 0.001 0.000 0.181 191 N C 1.168 176.650 175.510 -0.047 0.000 1.016 191 N CA 0.964 53.997 53.050 -0.029 0.000 0.870 191 N CB 0.270 38.755 38.487 -0.005 0.000 0.979 191 N HN 0.600 nan 8.380 nan 0.000 0.431 192 E N 0.657 120.835 120.200 -0.037 0.000 2.472 192 E HA -0.113 4.237 4.350 0.001 0.000 0.200 192 E C 1.431 178.008 176.600 -0.038 0.000 1.046 192 E CA 0.678 57.025 56.400 -0.088 0.000 0.871 192 E CB 0.020 29.661 29.700 -0.098 0.000 0.806 192 E HN 0.395 nan 8.360 nan 0.000 0.533 193 L N -0.048 121.199 121.223 0.040 0.000 2.471 193 L HA 0.070 4.411 4.340 0.001 0.000 0.186 193 L C 2.235 179.129 176.870 0.039 0.000 1.191 193 L CA 0.680 55.597 54.840 0.129 0.000 0.835 193 L CB -0.171 41.944 42.059 0.094 0.000 1.092 193 L HN 0.036 nan 8.230 nan 0.000 0.495 194 S N 0.090 115.742 115.700 -0.080 0.000 2.469 194 S HA -0.039 4.431 4.470 0.001 0.000 0.238 194 S C 1.589 176.003 174.600 -0.311 0.000 0.998 194 S CA 1.131 59.137 58.200 -0.323 0.000 0.957 194 S CB -0.069 62.688 63.200 -0.739 0.000 0.764 194 S HN 0.263 nan 8.310 nan 0.000 0.514 195 L N -1.011 120.113 121.223 -0.165 0.000 2.730 195 L HA 0.312 4.653 4.340 0.001 0.000 0.236 195 L C 2.438 179.246 176.870 -0.103 0.000 1.061 195 L CA 0.513 55.282 54.840 -0.118 0.000 0.898 195 L CB -0.816 41.182 42.059 -0.101 0.000 1.270 195 L HN 0.314 nan 8.230 nan 0.000 0.500 196 G N -0.086 108.645 108.800 -0.115 0.000 2.496 196 G HA2 -0.234 3.727 3.960 0.001 0.000 0.214 196 G HA3 -0.234 3.727 3.960 0.001 0.000 0.214 196 G C 1.290 176.058 174.900 -0.220 0.000 1.234 196 G CA 0.730 45.705 45.100 -0.208 0.000 0.807 196 G HN 0.172 nan 8.290 nan 0.000 0.543 197 Y N 0.162 120.426 120.300 -0.061 0.000 2.286 197 Y HA 0.012 4.562 4.550 0.001 0.000 0.293 197 Y C 3.061 178.953 175.900 -0.013 0.000 1.124 197 Y CA 0.409 58.486 58.100 -0.038 0.000 1.178 197 Y CB -0.227 38.212 38.460 -0.034 0.000 1.010 197 Y HN 0.011 nan 8.280 nan 0.000 0.536 198 V N 0.920 120.921 119.914 0.146 0.000 2.278 198 V HA -0.391 3.729 4.120 0.001 0.000 0.251 198 V C 1.705 177.831 176.094 0.052 0.000 1.062 198 V CA 2.319 64.684 62.300 0.107 0.000 1.038 198 V CB -0.515 31.357 31.823 0.082 0.000 0.646 198 V HN 0.549 nan 8.190 nan 0.000 0.447 199 N N 0.959 119.653 118.700 -0.010 0.000 2.446 199 N HA -0.009 4.731 4.740 0.001 0.000 0.179 199 N C 0.468 175.932 175.510 -0.077 0.000 1.054 199 N CA 0.666 53.677 53.050 -0.065 0.000 0.905 199 N CB -0.076 38.336 38.487 -0.126 0.000 0.973 199 N HN 0.739 nan 8.380 nan 0.000 0.448 200 N N 0.895 119.565 118.700 -0.049 0.000 2.841 200 N HA 0.246 4.986 4.740 0.001 0.000 0.257 200 N C -0.628 174.914 175.510 0.054 0.000 1.396 200 N CA -0.479 52.544 53.050 -0.044 0.000 0.823 200 N CB 0.571 39.002 38.487 -0.093 0.000 1.162 200 N HN 0.068 nan 8.380 nan 0.000 0.503 201 C N -0.986 118.358 119.300 0.074 0.000 3.241 201 C HA 0.493 4.953 4.460 0.001 0.000 0.312 201 C C 1.013 176.094 174.990 0.151 0.000 1.350 201 C CA -0.634 58.490 59.018 0.178 0.000 1.415 201 C CB 1.199 29.069 27.740 0.215 0.000 1.770 201 C HN 0.552 nan 8.230 nan 0.000 0.466 202 H N 0.546 119.763 119.070 0.245 0.000 2.448 202 H HA 0.559 5.116 4.556 0.001 0.000 0.292 202 H C 0.987 176.584 175.328 0.449 0.000 1.035 202 H CA 1.939 58.194 56.048 0.344 0.000 1.349 202 H CB 0.209 30.220 29.762 0.415 0.000 1.425 202 H HN 1.104 nan 8.280 nan 0.000 0.539 203 A N -0.024 123.063 122.820 0.445 0.000 2.589 203 A HA 0.506 4.826 4.320 0.001 0.000 0.296 203 A C -1.383 176.333 177.584 0.220 0.000 1.062 203 A CA -0.672 51.551 52.037 0.311 0.000 0.686 203 A CB 0.889 20.124 19.000 0.392 0.000 1.282 203 A HN 0.100 nan 8.150 nan 0.000 0.404 204 I N 1.735 122.387 120.570 0.136 0.000 2.336 204 I HA 0.327 4.498 4.170 0.001 0.000 0.292 204 I C -0.924 175.249 176.117 0.093 0.000 0.991 204 I CA -0.556 60.804 61.300 0.100 0.000 1.227 204 I CB 1.413 39.448 38.000 0.059 0.000 1.366 204 I HN 0.405 nan 8.210 nan 0.000 0.466 205 L N 7.727 129.005 121.223 0.092 0.000 2.262 205 L HA 0.357 4.697 4.340 0.001 0.000 0.288 205 L C -0.723 176.117 176.870 -0.049 0.000 1.035 205 L CA -0.126 54.733 54.840 0.030 0.000 0.820 205 L CB 0.239 42.362 42.059 0.107 0.000 1.204 205 L HN 0.344 nan 8.230 nan 0.000 0.424 206 F N 3.931 123.709 119.950 -0.287 0.000 2.388 206 F HA 0.517 5.045 4.527 0.001 0.000 0.358 206 F C -0.082 175.569 175.800 -0.249 0.000 1.122 206 F CA -0.603 57.251 58.000 -0.243 0.000 1.056 206 F CB 1.273 40.119 39.000 -0.258 0.000 1.155 206 F HN 0.101 nan 8.300 nan 0.000 0.461 207 V N 7.755 127.394 119.914 -0.457 0.000 2.383 207 V HA 0.380 4.501 4.120 0.001 0.000 0.275 207 V C -0.016 175.923 176.094 -0.260 0.000 1.036 207 V CA -0.306 61.765 62.300 -0.381 0.000 0.889 207 V CB 1.259 32.861 31.823 -0.368 0.000 0.985 207 V HN 0.745 nan 8.190 nan 0.000 0.459 208 M N 4.685 124.227 119.600 -0.096 0.000 2.602 208 M HA 0.593 5.074 4.480 0.001 0.000 0.312 208 M C -0.301 176.038 176.300 0.064 0.000 1.181 208 M CA -0.608 54.721 55.300 0.048 0.000 0.910 208 M CB 2.472 35.222 32.600 0.251 0.000 1.723 208 M HN 0.450 nan 8.290 nan 0.000 0.459 209 R N 0.591 121.167 120.500 0.127 0.000 2.349 209 R HA 0.579 4.919 4.340 0.001 0.000 0.299 209 R C 0.622 177.093 176.300 0.285 0.000 1.027 209 R CA 0.092 56.283 56.100 0.152 0.000 0.958 209 R CB 1.292 31.654 30.300 0.102 0.000 1.047 209 R HN 0.960 nan 8.270 nan 0.000 0.468 210 A N 2.567 125.583 122.820 0.327 0.000 1.933 210 A HA -0.143 4.178 4.320 0.001 0.000 0.218 210 A C 1.785 179.555 177.584 0.310 0.000 1.175 210 A CA 1.815 54.154 52.037 0.504 0.000 0.628 210 A CB -0.409 18.956 19.000 0.609 0.000 0.814 210 A HN 0.854 nan 8.150 nan 0.000 0.444 211 S N -0.291 115.508 115.700 0.165 0.000 2.419 211 S HA -0.126 4.344 4.470 0.001 0.000 0.233 211 S C 0.819 175.450 174.600 0.052 0.000 1.016 211 S CA 1.094 59.339 58.200 0.074 0.000 0.974 211 S CB -0.176 63.050 63.200 0.044 0.000 0.786 211 S HN 0.728 nan 8.310 nan 0.000 0.492 212 Q N 1.650 121.495 119.800 0.075 0.000 2.965 212 Q HA 0.318 4.658 4.340 0.001 0.000 0.288 212 Q C -2.874 173.128 176.000 0.003 0.000 0.974 212 Q CA -1.914 53.905 55.803 0.026 0.000 0.849 212 Q CB 1.376 30.136 28.738 0.036 0.000 1.280 212 Q HN 0.298 nan 8.270 nan 0.000 0.441 213 P HA -0.050 nan 4.420 nan 0.000 0.268 213 P C -0.238 176.908 177.300 -0.256 0.000 1.204 213 P CA 0.092 62.903 63.100 -0.480 0.000 0.768 213 P CB 0.793 31.889 31.700 -1.008 0.000 0.842 214 C N 1.259 120.498 119.300 -0.103 0.000 3.514 214 C HA -0.112 4.348 4.460 0.001 0.000 0.286 214 C C 1.107 176.094 174.990 -0.004 0.000 1.302 214 C CA 0.623 59.629 59.018 -0.020 0.000 2.239 214 C CB -3.363 24.321 27.740 -0.093 0.000 1.429 214 C HN 0.657 nan 8.230 nan 0.000 0.565 215 T N 2.493 117.071 114.554 0.041 0.000 2.908 215 T HA 0.057 4.407 4.350 0.001 0.000 0.325 215 T C 1.539 176.269 174.700 0.051 0.000 1.092 215 T CA 0.436 62.561 62.100 0.041 0.000 1.125 215 T CB 0.444 69.350 68.868 0.064 0.000 1.016 215 T HN 0.607 nan 8.240 nan 0.000 0.550 216 L N 2.428 123.673 121.223 0.036 0.000 2.021 216 L HA -0.126 4.214 4.340 0.001 0.000 0.215 216 L C 2.418 179.339 176.870 0.086 0.000 1.074 216 L CA 2.696 57.562 54.840 0.042 0.000 0.760 216 L CB -1.738 40.333 42.059 0.020 0.000 0.889 216 L HN 0.906 nan 8.230 nan 0.000 0.433 217 G N -0.681 108.178 108.800 0.100 0.000 2.450 217 G HA2 -0.254 3.706 3.960 0.001 0.000 0.220 217 G HA3 -0.254 3.706 3.960 0.001 0.000 0.220 217 G C 1.398 176.418 174.900 0.201 0.000 1.130 217 G CA 0.732 45.917 45.100 0.142 0.000 0.760 217 G HN 0.610 nan 8.290 nan 0.000 0.557 218 E N 0.522 120.839 120.200 0.195 0.000 2.033 218 E HA -0.084 4.267 4.350 0.001 0.000 0.189 218 E C 2.716 179.456 176.600 0.232 0.000 0.979 218 E CA 0.787 57.363 56.400 0.292 0.000 0.802 218 E CB -0.168 29.713 29.700 0.302 0.000 0.763 218 E HN 0.505 nan 8.360 nan 0.000 0.449 219 R N 1.109 121.687 120.500 0.130 0.000 2.148 219 R HA 0.003 4.343 4.340 0.001 0.000 0.227 219 R C 2.264 178.629 176.300 0.109 0.000 1.103 219 R CA 0.689 56.838 56.100 0.082 0.000 0.983 219 R CB -0.331 30.003 30.300 0.057 0.000 0.874 219 R HN 0.006 nan 8.270 nan 0.000 0.451 220 R N 0.307 120.885 120.500 0.130 0.000 2.070 220 R HA -0.182 4.159 4.340 0.001 0.000 0.233 220 R C 2.094 178.454 176.300 0.101 0.000 1.137 220 R CA 1.841 58.010 56.100 0.115 0.000 0.945 220 R CB -0.427 29.962 30.300 0.147 0.000 0.845 220 R HN 0.262 nan 8.270 nan 0.000 0.430 221 Y N 1.230 121.594 120.300 0.106 0.000 2.145 221 Y HA -0.221 4.329 4.550 0.001 0.000 0.286 221 Y C 1.987 177.951 175.900 0.105 0.000 1.145 221 Y CA 1.683 59.890 58.100 0.178 0.000 1.148 221 Y CB -0.311 38.353 38.460 0.341 0.000 0.981 221 Y HN 0.020 nan 8.280 nan 0.000 0.507 222 L N 0.015 121.384 121.223 0.242 0.000 2.042 222 L HA -0.242 4.098 4.340 0.001 0.000 0.210 222 L C 2.560 179.509 176.870 0.132 0.000 1.076 222 L CA 2.015 56.891 54.840 0.059 0.000 0.749 222 L CB -0.573 41.309 42.059 -0.295 0.000 0.893 222 L HN 0.298 nan 8.230 nan 0.000 0.432 223 E N -0.003 120.261 120.200 0.106 0.000 2.072 223 E HA -0.204 4.146 4.350 0.001 0.000 0.191 223 E C 1.890 178.434 176.600 -0.094 0.000 0.985 223 E CA 1.101 57.543 56.400 0.070 0.000 0.801 223 E CB 0.176 29.906 29.700 0.051 0.000 0.750 223 E HN 0.442 nan 8.360 nan 0.000 0.452 224 N N -0.713 117.804 118.700 -0.305 0.000 2.216 224 N HA -0.112 4.628 4.740 0.001 0.000 0.183 224 N C 0.793 175.901 175.510 -0.671 0.000 1.017 224 N CA 1.173 53.844 53.050 -0.631 0.000 0.861 224 N CB 0.024 37.859 38.487 -1.087 0.000 0.986 224 N HN 0.380 nan 8.380 nan 0.000 0.428 225 Y N -1.478 118.706 120.300 -0.194 0.000 2.432 225 Y HA 0.413 4.964 4.550 0.001 0.000 0.252 225 Y C 1.445 177.303 175.900 -0.071 0.000 1.097 225 Y CA -0.291 57.684 58.100 -0.207 0.000 1.250 225 Y CB 0.831 39.013 38.460 -0.465 0.000 1.245 225 Y HN -0.122 nan 8.280 nan 0.000 0.522 226 I N -0.882 119.761 120.570 0.121 0.000 4.197 226 I HA 0.030 4.200 4.170 0.001 0.000 0.307 226 I C 0.668 176.914 176.117 0.215 0.000 1.236 226 I CA -0.093 61.314 61.300 0.178 0.000 1.321 226 I CB 0.495 38.607 38.000 0.188 0.000 1.309 226 I HN -0.218 nan 8.210 nan 0.000 0.450 227 K N 2.127 122.676 120.400 0.249 0.000 2.466 227 K HA 0.081 4.402 4.320 0.001 0.000 0.278 227 K C 1.036 177.627 176.600 -0.015 0.000 1.048 227 K CA 1.115 57.441 56.287 0.065 0.000 1.088 227 K CB -0.029 32.461 32.500 -0.018 0.000 0.884 227 K HN 0.397 nan 8.250 nan 0.000 0.478 228 G N 4.173 112.940 108.800 -0.055 0.000 2.166 228 G HA2 -0.303 3.658 3.960 0.001 0.000 0.260 228 G HA3 -0.303 3.658 3.960 0.001 0.000 0.260 228 G C 0.310 175.209 174.900 -0.001 0.000 0.986 228 G CA 0.659 45.734 45.100 -0.041 0.000 0.683 228 G HN 0.766 nan 8.290 nan 0.000 0.527 229 R N 0.524 121.036 120.500 0.019 0.000 2.702 229 R HA 0.444 4.784 4.340 0.001 0.000 0.314 229 R C 1.170 177.481 176.300 0.018 0.000 1.152 229 R CA -0.003 56.109 56.100 0.020 0.000 1.097 229 R CB -0.570 29.735 30.300 0.009 0.000 1.343 229 R HN 1.338 nan 8.270 nan 0.000 0.575 230 G N 2.014 110.827 108.800 0.022 0.000 2.424 230 G HA2 -0.283 3.677 3.960 0.001 0.000 0.294 230 G HA3 -0.283 3.677 3.960 0.001 0.000 0.294 230 G C -0.058 174.856 174.900 0.024 0.000 0.939 230 G CA 0.463 45.577 45.100 0.023 0.000 1.143 230 G HN 0.367 nan 8.290 nan 0.000 0.507 231 L N -0.714 120.524 121.223 0.025 0.000 2.416 231 L HA 0.594 4.935 4.340 0.001 0.000 0.262 231 L C 0.823 177.681 176.870 -0.020 0.000 1.093 231 L CA -0.787 54.066 54.840 0.021 0.000 0.801 231 L CB 1.276 43.352 42.059 0.029 0.000 1.191 231 L HN 0.058 nan 8.230 nan 0.000 0.459 232 T N 1.527 116.052 114.554 -0.048 0.000 2.832 232 T HA 0.326 4.676 4.350 0.001 0.000 0.313 232 T C -0.494 174.029 174.700 -0.295 0.000 1.035 232 T CA -0.240 61.709 62.100 -0.252 0.000 0.950 232 T CB 0.878 69.466 68.868 -0.466 0.000 0.984 232 T HN 0.329 nan 8.240 nan 0.000 0.486 233 V N 5.324 125.021 119.914 -0.361 0.000 2.398 233 V HA 0.637 4.758 4.120 0.001 0.000 0.286 233 V C -1.021 174.626 176.094 -0.746 0.000 1.026 233 V CA -0.939 61.075 62.300 -0.476 0.000 0.868 233 V CB 0.316 31.810 31.823 -0.548 0.000 0.982 233 V HN 0.699 nan 8.190 nan 0.000 0.443 234 F N 6.746 126.407 119.950 -0.480 0.000 2.396 234 F HA 0.554 5.081 4.527 0.001 0.000 0.343 234 F C -0.043 175.408 175.800 -0.583 0.000 1.104 234 F CA -0.130 57.658 58.000 -0.355 0.000 1.161 234 F CB 1.053 40.025 39.000 -0.047 0.000 1.146 234 F HN 0.419 nan 8.300 nan 0.000 0.522 235 F N 4.115 124.021 119.950 -0.073 0.000 2.388 235 F HA 0.454 4.982 4.527 0.001 0.000 0.358 235 F C -0.544 175.075 175.800 -0.303 0.000 1.122 235 F CA -0.741 57.152 58.000 -0.178 0.000 1.056 235 F CB 0.874 39.709 39.000 -0.275 0.000 1.155 235 F HN 0.118 nan 8.300 nan 0.000 0.461 236 L N 4.928 126.002 121.223 -0.248 0.000 2.264 236 L HA 0.416 4.757 4.340 0.001 0.000 0.287 236 L C -0.454 176.190 176.870 -0.378 0.000 1.039 236 L CA -0.752 53.804 54.840 -0.472 0.000 0.829 236 L CB 0.967 42.497 42.059 -0.882 0.000 1.211 236 L HN 0.304 nan 8.230 nan 0.000 0.427 237 V N 3.638 123.296 119.914 -0.426 0.000 2.370 237 V HA 0.083 4.204 4.120 0.001 0.000 0.257 237 V C 0.598 176.581 176.094 -0.185 0.000 1.064 237 V CA -0.006 62.043 62.300 -0.418 0.000 0.975 237 V CB 0.150 31.514 31.823 -0.766 0.000 1.067 237 V HN 0.786 nan 8.190 nan 0.000 0.485 238 N N 3.185 121.846 118.700 -0.065 0.000 2.476 238 N HA 0.510 5.251 4.740 0.001 0.000 0.287 238 N C 0.873 176.481 175.510 0.162 0.000 1.262 238 N CA -0.078 52.986 53.050 0.025 0.000 0.980 238 N CB 0.843 39.323 38.487 -0.012 0.000 1.163 238 N HN 0.777 nan 8.380 nan 0.000 0.592 239 A N 0.320 123.240 122.820 0.167 0.000 2.665 239 A HA -0.177 4.144 4.320 0.001 0.000 0.301 239 A C 0.908 178.622 177.584 0.217 0.000 1.509 239 A CA 0.946 53.082 52.037 0.164 0.000 0.789 239 A CB -2.360 16.709 19.000 0.114 0.000 1.024 239 A HN 0.912 nan 8.150 nan 0.000 0.460 240 W N 0.849 122.177 121.300 0.046 0.000 2.402 240 W HA -0.155 4.505 4.660 0.001 0.000 0.286 240 W C 1.249 177.800 176.519 0.053 0.000 1.221 240 W CA 1.496 58.871 57.345 0.049 0.000 1.257 240 W CB 0.008 29.491 29.460 0.039 0.000 1.120 240 W HN 0.794 nan 8.180 nan 0.000 0.551 241 D N -0.164 120.248 120.400 0.021 0.000 2.378 241 D HA -0.157 4.484 4.640 0.001 0.000 0.227 241 D C 1.407 177.649 176.300 -0.097 0.000 1.012 241 D CA 0.630 54.584 54.000 -0.077 0.000 0.905 241 D CB -0.531 40.287 40.800 0.029 0.000 0.895 241 D HN 0.360 nan 8.370 nan 0.000 0.532 242 Q N 0.232 119.982 119.800 -0.083 0.000 2.282 242 Q HA 0.107 4.447 4.340 0.001 0.000 0.206 242 Q C 1.893 177.833 176.000 -0.099 0.000 0.878 242 Q CA -0.128 55.639 55.803 -0.061 0.000 0.944 242 Q CB 1.093 29.826 28.738 -0.008 0.000 1.100 242 Q HN 0.145 nan 8.270 nan 0.000 0.509 243 V N 0.876 120.671 119.914 -0.198 0.000 2.546 243 V HA -0.302 3.819 4.120 0.001 0.000 0.254 243 V C 2.305 178.309 176.094 -0.149 0.000 1.076 243 V CA 1.893 64.062 62.300 -0.219 0.000 1.087 243 V CB -0.537 31.029 31.823 -0.427 0.000 0.674 243 V HN 0.339 nan 8.190 nan 0.000 0.470 244 R N -0.127 120.291 120.500 -0.137 0.000 2.152 244 R HA -0.178 4.163 4.340 0.001 0.000 0.232 244 R C 2.242 178.505 176.300 -0.061 0.000 1.117 244 R CA 1.472 57.516 56.100 -0.093 0.000 0.981 244 R CB -0.118 30.134 30.300 -0.081 0.000 0.870 244 R HN 0.641 nan 8.270 nan 0.000 0.451 245 E N -0.287 119.881 120.200 -0.052 0.000 2.118 245 E HA -0.167 4.184 4.350 0.001 0.000 0.195 245 E C 1.736 178.317 176.600 -0.031 0.000 0.992 245 E CA 1.680 58.060 56.400 -0.033 0.000 0.804 245 E CB 0.030 29.715 29.700 -0.024 0.000 0.741 245 E HN 0.407 nan 8.360 nan 0.000 0.458 246 S N 0.275 115.952 115.700 -0.039 0.000 2.562 246 S HA 0.047 4.518 4.470 0.001 0.000 0.221 246 S C 0.944 175.524 174.600 -0.033 0.000 0.975 246 S CA -0.162 58.019 58.200 -0.033 0.000 0.918 246 S CB -0.209 62.969 63.200 -0.036 0.000 0.772 246 S HN 0.033 nan 8.310 nan 0.000 0.531 247 L N 1.514 122.715 121.223 -0.038 0.000 2.467 247 L HA 0.145 4.485 4.340 0.001 0.000 0.270 247 L C 1.625 178.480 176.870 -0.025 0.000 1.205 247 L CA -0.768 54.051 54.840 -0.034 0.000 0.828 247 L CB 0.157 42.193 42.059 -0.038 0.000 1.101 247 L HN 0.100 nan 8.230 nan 0.000 0.479 248 I N 0.482 121.039 120.570 -0.021 0.000 2.076 248 I HA -0.177 3.994 4.170 0.001 0.000 0.237 248 I C 0.980 177.087 176.117 -0.016 0.000 1.059 248 I CA 1.501 62.791 61.300 -0.017 0.000 1.317 248 I CB -0.803 37.188 38.000 -0.014 0.000 1.037 248 I HN 0.673 nan 8.210 nan 0.000 0.398 249 D N 2.134 122.524 120.400 -0.016 0.000 2.460 249 D HA 0.189 4.829 4.640 0.001 0.000 0.232 249 D C -1.816 174.473 176.300 -0.019 0.000 1.079 249 D CA -2.529 51.462 54.000 -0.015 0.000 0.864 249 D CB 1.556 42.349 40.800 -0.012 0.000 1.048 249 D HN -0.013 nan 8.370 nan 0.000 0.523 250 P HA -0.039 nan 4.420 nan 0.000 0.231 250 P C -0.048 177.239 177.300 -0.022 0.000 1.158 250 P CA 0.630 63.715 63.100 -0.024 0.000 0.763 250 P CB 0.508 32.196 31.700 -0.021 0.000 0.805 251 D N -0.756 119.635 120.400 -0.016 0.000 2.368 251 D HA 0.034 4.674 4.640 0.001 0.000 0.218 251 D C 0.101 176.394 176.300 -0.012 0.000 1.112 251 D CA 0.294 54.286 54.000 -0.013 0.000 0.834 251 D CB 0.229 41.023 40.800 -0.009 0.000 0.953 251 D HN 0.164 nan 8.370 nan 0.000 0.505 252 D N 1.307 121.698 120.400 -0.015 0.000 2.349 252 D HA 0.039 4.680 4.640 0.001 0.000 0.232 252 D C 1.616 177.907 176.300 -0.014 0.000 1.071 252 D CA -0.504 53.489 54.000 -0.012 0.000 0.832 252 D CB 2.117 42.910 40.800 -0.012 0.000 1.086 252 D HN -0.123 nan 8.370 nan 0.000 0.504 253 V N 1.948 121.857 119.914 -0.009 0.000 2.548 253 V HA -0.068 4.052 4.120 0.001 0.000 0.249 253 V C 1.794 177.885 176.094 -0.006 0.000 1.055 253 V CA 1.070 63.365 62.300 -0.008 0.000 1.065 253 V CB -0.598 31.225 31.823 -0.001 0.000 0.681 253 V HN 0.439 nan 8.190 nan 0.000 0.462 254 E N 0.603 120.801 120.200 -0.004 0.000 2.051 254 E HA -0.238 4.112 4.350 0.001 0.000 0.192 254 E C 2.297 178.894 176.600 -0.006 0.000 0.991 254 E CA 1.584 57.983 56.400 -0.001 0.000 0.799 254 E CB -0.204 29.496 29.700 -0.001 0.000 0.748 254 E HN 0.786 nan 8.360 nan 0.000 0.449 255 E N 0.574 120.768 120.200 -0.011 0.000 2.118 255 E HA -0.228 4.123 4.350 0.001 0.000 0.195 255 E C 2.131 178.717 176.600 -0.025 0.000 0.992 255 E CA 0.642 57.032 56.400 -0.016 0.000 0.804 255 E CB 0.037 29.726 29.700 -0.018 0.000 0.741 255 E HN 0.075 nan 8.360 nan 0.000 0.458 256 L N 1.329 122.533 121.223 -0.031 0.000 1.994 256 L HA -0.228 4.113 4.340 0.001 0.000 0.208 256 L C 2.515 179.361 176.870 -0.040 0.000 1.071 256 L CA 2.192 57.001 54.840 -0.051 0.000 0.745 256 L CB -0.926 41.099 42.059 -0.056 0.000 0.892 256 L HN 0.128 nan 8.230 nan 0.000 0.431 257 Q N -0.241 119.551 119.800 -0.012 0.000 2.096 257 Q HA -0.178 4.162 4.340 0.001 0.000 0.204 257 Q C 2.085 178.098 176.000 0.022 0.000 0.982 257 Q CA 2.318 58.131 55.803 0.016 0.000 0.850 257 Q CB -0.575 28.178 28.738 0.026 0.000 0.901 257 Q HN 0.598 nan 8.270 nan 0.000 0.422 258 A N -0.199 122.626 122.820 0.009 0.000 1.849 258 A HA -0.268 4.053 4.320 0.001 0.000 0.217 258 A C 2.356 179.946 177.584 0.010 0.000 1.202 258 A CA 2.419 54.462 52.037 0.010 0.000 0.629 258 A CB -1.611 17.390 19.000 0.000 0.000 0.834 258 A HN 0.520 nan 8.150 nan 0.000 0.447 259 S N -0.588 115.106 115.700 -0.011 0.000 2.387 259 S HA -0.253 4.217 4.470 0.001 0.000 0.230 259 S C 1.909 176.499 174.600 -0.016 0.000 1.035 259 S CA 2.002 60.188 58.200 -0.024 0.000 1.014 259 S CB -0.457 62.713 63.200 -0.051 0.000 0.836 259 S HN 0.638 nan 8.310 nan 0.000 0.466 260 E N 0.408 120.595 120.200 -0.023 0.000 2.047 260 E HA -0.094 4.256 4.350 0.001 0.000 0.191 260 E C 2.064 178.792 176.600 0.213 0.000 0.987 260 E CA 1.157 57.577 56.400 0.033 0.000 0.799 260 E CB -0.204 29.514 29.700 0.031 0.000 0.752 260 E HN 0.481 nan 8.360 nan 0.000 0.449 261 N N 0.976 119.763 118.700 0.144 0.000 2.166 261 N HA -0.165 4.576 4.740 0.001 0.000 0.186 261 N C 1.817 177.392 175.510 0.108 0.000 1.019 261 N CA 1.204 54.334 53.050 0.134 0.000 0.856 261 N CB -0.255 38.279 38.487 0.079 0.000 0.993 261 N HN 0.300 nan 8.380 nan 0.000 0.426 262 R N -0.025 120.520 120.500 0.075 0.000 2.119 262 R HA 0.058 4.399 4.340 0.001 0.000 0.222 262 R C 1.637 177.971 176.300 0.056 0.000 1.088 262 R CA 0.484 56.611 56.100 0.045 0.000 0.984 262 R CB -0.631 29.677 30.300 0.014 0.000 0.884 262 R HN -0.017 nan 8.270 nan 0.000 0.447 263 L N 1.939 123.223 121.223 0.102 0.000 1.990 263 L HA -0.116 4.225 4.340 0.001 0.000 0.213 263 L C 2.624 179.654 176.870 0.267 0.000 1.072 263 L CA 1.768 56.701 54.840 0.155 0.000 0.755 263 L CB -0.841 41.388 42.059 0.284 0.000 0.889 263 L HN 0.181 nan 8.230 nan 0.000 0.432 264 R N -1.281 119.429 120.500 0.351 0.000 2.139 264 R HA -0.218 4.122 4.340 0.001 0.000 0.243 264 R C 2.178 178.581 176.300 0.171 0.000 1.145 264 R CA 1.061 57.340 56.100 0.299 0.000 0.976 264 R CB -0.232 30.197 30.300 0.214 0.000 0.866 264 R HN 0.466 nan 8.270 nan 0.000 0.449 265 Q N 0.137 119.990 119.800 0.089 0.000 2.049 265 Q HA -0.069 4.272 4.340 0.001 0.000 0.198 265 Q C 2.321 178.318 176.000 -0.005 0.000 0.971 265 Q CA 1.165 56.976 55.803 0.013 0.000 0.833 265 Q CB -0.299 28.435 28.738 -0.007 0.000 0.896 265 Q HN 0.166 nan 8.270 nan 0.000 0.434 266 V N 0.673 120.562 119.914 -0.040 0.000 2.252 266 V HA -0.289 3.832 4.120 0.001 0.000 0.249 266 V C 2.162 178.191 176.094 -0.108 0.000 1.056 266 V CA 2.014 64.236 62.300 -0.130 0.000 1.022 266 V CB -0.920 30.745 31.823 -0.263 0.000 0.641 266 V HN 0.219 nan 8.190 nan 0.000 0.445 267 F N 0.563 120.521 119.950 0.013 0.000 2.095 267 F HA -0.224 4.304 4.527 0.001 0.000 0.298 267 F C 2.505 178.326 175.800 0.035 0.000 1.104 267 F CA 2.192 60.197 58.000 0.009 0.000 1.232 267 F CB -0.479 38.541 39.000 0.034 0.000 0.987 267 F HN 0.213 nan 8.300 nan 0.000 0.475 268 N N 0.366 119.179 118.700 0.190 0.000 2.120 268 N HA -0.172 4.569 4.740 0.001 0.000 0.188 268 N C 1.760 177.242 175.510 -0.047 0.000 1.024 268 N CA 1.381 54.392 53.050 -0.065 0.000 0.852 268 N CB -0.318 37.963 38.487 -0.343 0.000 1.003 268 N HN 0.194 nan 8.380 nan 0.000 0.424 269 A N 0.849 123.648 122.820 -0.036 0.000 1.841 269 A HA -0.193 4.128 4.320 0.001 0.000 0.216 269 A C 2.030 179.611 177.584 -0.006 0.000 1.199 269 A CA 1.775 53.791 52.037 -0.036 0.000 0.621 269 A CB -0.950 18.025 19.000 -0.041 0.000 0.835 269 A HN 0.475 nan 8.150 nan 0.000 0.445 270 N N -0.404 118.299 118.700 0.005 0.000 2.309 270 N HA -0.034 4.706 4.740 0.001 0.000 0.182 270 N C 1.458 177.011 175.510 0.072 0.000 1.018 270 N CA 1.216 54.281 53.050 0.026 0.000 0.876 270 N CB -0.133 38.348 38.487 -0.010 0.000 0.972 270 N HN 0.496 nan 8.380 nan 0.000 0.434 271 L N -0.110 121.145 121.223 0.055 0.000 2.609 271 L HA 0.246 4.587 4.340 0.001 0.000 0.230 271 L C 2.225 179.174 176.870 0.131 0.000 1.087 271 L CA -0.071 54.755 54.840 -0.024 0.000 0.874 271 L CB -0.035 41.829 42.059 -0.325 0.000 1.114 271 L HN -0.027 nan 8.230 nan 0.000 0.488 272 A N 0.981 123.902 122.820 0.169 0.000 1.908 272 A HA -0.257 4.064 4.320 0.001 0.000 0.218 272 A C 2.194 179.829 177.584 0.086 0.000 1.181 272 A CA 2.007 54.145 52.037 0.169 0.000 0.627 272 A CB -0.451 18.555 19.000 0.010 0.000 0.818 272 A HN 0.556 nan 8.150 nan 0.000 0.445 273 E N -1.487 118.718 120.200 0.009 0.000 2.265 273 E HA -0.228 4.122 4.350 0.001 0.000 0.196 273 E C 1.389 177.892 176.600 -0.162 0.000 0.996 273 E CA 1.327 57.661 56.400 -0.110 0.000 0.832 273 E CB -0.341 29.237 29.700 -0.203 0.000 0.756 273 E HN 0.758 nan 8.360 nan 0.000 0.491 274 Y N -0.513 119.776 120.300 -0.018 0.000 2.523 274 Y HA 0.090 4.640 4.550 0.001 0.000 0.279 274 Y C 1.624 177.554 175.900 0.051 0.000 1.139 274 Y CA 0.201 58.320 58.100 0.032 0.000 1.296 274 Y CB 0.459 38.968 38.460 0.083 0.000 1.045 274 Y HN 0.173 nan 8.280 nan 0.000 0.538 275 C N -0.192 119.198 119.300 0.150 0.000 2.668 275 C HA 0.279 4.740 4.460 0.001 0.000 0.301 275 C C 0.936 175.944 174.990 0.030 0.000 1.351 275 C CA -0.264 58.794 59.018 0.066 0.000 1.757 275 C CB -1.185 26.570 27.740 0.025 0.000 2.179 275 C HN 0.262 nan 8.230 nan 0.000 0.586 276 T N -0.129 114.437 114.554 0.020 0.000 2.840 276 T HA 0.491 4.841 4.350 0.001 0.000 0.287 276 T C 0.693 175.388 174.700 -0.008 0.000 0.991 276 T CA -0.224 61.877 62.100 0.002 0.000 0.964 276 T CB 0.953 69.818 68.868 -0.004 0.000 0.954 276 T HN 0.030 nan 8.240 nan 0.000 0.438 277 V N 4.300 124.212 119.914 -0.004 0.000 2.484 277 V HA 0.246 4.366 4.120 0.001 0.000 0.236 277 V C 1.440 177.536 176.094 0.004 0.000 1.062 277 V CA 0.824 63.125 62.300 0.001 0.000 1.081 277 V CB -0.361 31.467 31.823 0.009 0.000 0.751 277 V HN 0.957 nan 8.190 nan 0.000 0.484 278 E N 0.239 120.443 120.200 0.006 0.000 3.157 278 E HA 0.498 4.849 4.350 0.001 0.000 0.203 278 E C 0.993 177.595 176.600 0.003 0.000 0.982 278 E CA 0.519 56.923 56.400 0.008 0.000 1.217 278 E CB 0.689 30.398 29.700 0.015 0.000 1.123 278 E HN 0.513 nan 8.360 nan 0.000 0.457 279 G N 1.048 109.847 108.800 -0.003 0.000 2.358 279 G HA2 -0.277 3.684 3.960 0.001 0.000 0.224 279 G HA3 -0.277 3.684 3.960 0.001 0.000 0.224 279 G C 0.293 175.190 174.900 -0.004 0.000 1.073 279 G CA -0.326 44.771 45.100 -0.006 0.000 0.635 279 G HN 0.257 nan 8.290 nan 0.000 0.509 280 Q N 1.265 121.066 119.800 0.000 0.000 2.297 280 Q HA 0.344 4.684 4.340 0.001 0.000 0.267 280 Q C 0.068 176.070 176.000 0.003 0.000 1.006 280 Q CA -0.053 55.751 55.803 0.002 0.000 0.896 280 Q CB 1.061 29.803 28.738 0.006 0.000 1.186 280 Q HN 0.592 nan 8.270 nan 0.000 0.392 281 N N 2.534 121.236 118.700 0.004 0.000 2.422 281 N HA 0.253 4.994 4.740 0.001 0.000 0.264 281 N C -0.288 175.235 175.510 0.021 0.000 1.063 281 N CA -0.261 52.797 53.050 0.014 0.000 0.959 281 N CB 0.334 38.827 38.487 0.010 0.000 1.087 281 N HN 0.593 nan 8.380 nan 0.000 0.483 282 I N 1.085 121.668 120.570 0.022 0.000 3.061 282 I HA 0.269 4.440 4.170 0.001 0.000 0.341 282 I C 0.198 176.310 176.117 -0.007 0.000 1.457 282 I CA -0.780 60.523 61.300 0.005 0.000 0.921 282 I CB -0.038 37.950 38.000 -0.020 0.000 1.845 282 I HN 0.474 nan 8.210 nan 0.000 0.535 283 Y N 1.893 122.134 120.300 -0.097 0.000 2.128 283 Y HA -0.249 4.301 4.550 0.001 0.000 0.284 283 Y C 1.852 177.621 175.900 -0.219 0.000 1.154 283 Y CA 1.983 60.002 58.100 -0.136 0.000 1.149 283 Y CB 0.187 38.576 38.460 -0.118 0.000 0.976 283 Y HN 0.363 nan 8.280 nan 0.000 0.505 284 D N 0.137 120.554 120.400 0.027 0.000 2.309 284 D HA -0.144 4.496 4.640 0.001 0.000 0.212 284 D C 1.088 177.230 176.300 -0.263 0.000 0.968 284 D CA 1.330 55.261 54.000 -0.114 0.000 0.882 284 D CB -0.197 40.602 40.800 -0.001 0.000 0.918 284 D HN 0.556 nan 8.370 nan 0.000 0.503 285 E N -0.662 119.433 120.200 -0.174 0.000 2.451 285 E HA 0.163 4.513 4.350 0.001 0.000 0.194 285 E C 1.319 177.906 176.600 -0.022 0.000 1.027 285 E CA -0.093 56.318 56.400 0.018 0.000 0.914 285 E CB 0.568 30.310 29.700 0.069 0.000 1.054 285 E HN -0.080 nan 8.360 nan 0.000 0.461 286 R N -0.979 119.256 120.500 -0.441 0.000 2.725 286 R HA 0.207 4.547 4.340 0.001 0.000 0.207 286 R C -0.313 175.736 176.300 -0.418 0.000 0.924 286 R CA 0.309 56.203 56.100 -0.345 0.000 1.098 286 R CB 1.029 31.105 30.300 -0.372 0.000 1.602 286 R HN -0.119 nan 8.270 nan 0.000 0.615 287 V N 2.927 122.298 119.914 -0.905 0.000 2.328 287 V HA 0.461 4.581 4.120 0.001 0.000 0.278 287 V C -0.912 174.606 176.094 -0.960 0.000 1.021 287 V CA -0.434 61.385 62.300 -0.802 0.000 0.838 287 V CB 0.971 32.131 31.823 -1.105 0.000 0.999 287 V HN -0.078 nan 8.190 nan 0.000 0.447 288 F N 1.878 121.624 119.950 -0.340 0.000 2.529 288 F HA 0.489 5.017 4.527 0.001 0.000 0.320 288 F C 0.502 176.016 175.800 -0.478 0.000 1.118 288 F CA -0.902 56.888 58.000 -0.349 0.000 0.915 288 F CB 1.965 40.797 39.000 -0.280 0.000 1.161 288 F HN 0.413 nan 8.300 nan 0.000 0.445 289 E N 4.389 124.387 120.200 -0.336 0.000 1.996 289 E HA 0.374 4.724 4.350 0.001 0.000 0.280 289 E C -0.862 175.584 176.600 -0.257 0.000 1.092 289 E CA -0.172 55.893 56.400 -0.559 0.000 0.862 289 E CB 0.638 29.621 29.700 -1.195 0.000 1.066 289 E HN 0.431 nan 8.360 nan 0.000 0.396 290 L N 1.539 122.669 121.223 -0.154 0.000 2.344 290 L HA 0.430 4.770 4.340 0.001 0.000 0.272 290 L C 0.429 177.425 176.870 0.210 0.000 1.035 290 L CA -0.828 54.022 54.840 0.017 0.000 0.807 290 L CB 1.666 43.649 42.059 -0.127 0.000 1.237 290 L HN 0.312 nan 8.230 nan 0.000 0.442 291 S N -0.218 115.672 115.700 0.316 0.000 2.426 291 S HA 0.205 4.676 4.470 0.001 0.000 0.236 291 S C 0.814 175.596 174.600 0.303 0.000 1.368 291 S CA -0.616 57.752 58.200 0.280 0.000 1.154 291 S CB 0.664 63.999 63.200 0.225 0.000 1.037 291 S HN 0.662 nan 8.310 nan 0.000 0.481 292 S N 4.016 119.927 115.700 0.351 0.000 2.368 292 S HA -0.074 4.396 4.470 0.001 0.000 0.225 292 S C 1.655 176.312 174.600 0.095 0.000 1.030 292 S CA 1.048 59.437 58.200 0.315 0.000 0.999 292 S CB -0.310 63.106 63.200 0.360 0.000 0.844 292 S HN 0.818 nan 8.310 nan 0.000 0.459 293 I N 1.041 121.669 120.570 0.097 0.000 2.252 293 I HA -0.249 3.922 4.170 0.001 0.000 0.245 293 I C 2.693 178.818 176.117 0.013 0.000 1.102 293 I CA 1.265 62.593 61.300 0.046 0.000 1.385 293 I CB -0.143 37.888 38.000 0.052 0.000 1.064 293 I HN 0.323 nan 8.210 nan 0.000 0.414 294 Q N 0.216 120.033 119.800 0.029 0.000 2.084 294 Q HA -0.223 4.117 4.340 0.001 0.000 0.202 294 Q C 2.210 178.181 176.000 -0.050 0.000 0.978 294 Q CA 2.133 57.941 55.803 0.009 0.000 0.844 294 Q CB -0.155 28.610 28.738 0.044 0.000 0.898 294 Q HN 0.626 nan 8.270 nan 0.000 0.426 295 A N 0.128 122.879 122.820 -0.116 0.000 1.898 295 A HA -0.164 4.156 4.320 0.001 0.000 0.216 295 A C 1.931 179.366 177.584 -0.247 0.000 1.181 295 A CA 1.125 52.988 52.037 -0.289 0.000 0.620 295 A CB -0.707 17.840 19.000 -0.755 0.000 0.819 295 A HN 0.434 nan 8.150 nan 0.000 0.442 296 L N 0.200 121.315 121.223 -0.180 0.000 2.012 296 L HA -0.178 4.162 4.340 0.001 0.000 0.210 296 L C 2.474 179.295 176.870 -0.082 0.000 1.073 296 L CA 2.020 56.788 54.840 -0.121 0.000 0.748 296 L CB -0.745 41.273 42.059 -0.068 0.000 0.891 296 L HN 0.371 nan 8.230 nan 0.000 0.431 297 R N -0.888 119.578 120.500 -0.057 0.000 2.096 297 R HA -0.181 4.160 4.340 0.001 0.000 0.240 297 R C 2.358 178.632 176.300 -0.043 0.000 1.139 297 R CA 1.880 57.958 56.100 -0.037 0.000 0.952 297 R CB -0.447 29.840 30.300 -0.021 0.000 0.854 297 R HN 0.421 nan 8.270 nan 0.000 0.436 298 R N 0.312 120.777 120.500 -0.058 0.000 2.070 298 R HA -0.084 4.257 4.340 0.001 0.000 0.233 298 R C 2.356 178.621 176.300 -0.058 0.000 1.137 298 R CA 1.376 57.444 56.100 -0.053 0.000 0.945 298 R CB -0.242 30.021 30.300 -0.063 0.000 0.845 298 R HN 0.236 nan 8.270 nan 0.000 0.430 299 R N 0.261 120.711 120.500 -0.083 0.000 2.189 299 R HA -0.066 4.275 4.340 0.001 0.000 0.218 299 R C 2.076 178.343 176.300 -0.054 0.000 1.074 299 R CA 0.585 56.639 56.100 -0.077 0.000 0.991 299 R CB -0.202 30.032 30.300 -0.110 0.000 0.883 299 R HN 0.106 nan 8.270 nan 0.000 0.457 300 L N 1.330 122.523 121.223 -0.050 0.000 2.156 300 L HA -0.120 4.221 4.340 0.001 0.000 0.208 300 L C 2.259 179.117 176.870 -0.021 0.000 1.095 300 L CA 1.702 56.522 54.840 -0.032 0.000 0.770 300 L CB -0.307 41.735 42.059 -0.028 0.000 0.914 300 L HN -0.055 nan 8.230 nan 0.000 0.439 301 K N -0.325 120.062 120.400 -0.022 0.000 2.116 301 K HA -0.062 4.259 4.320 0.001 0.000 0.203 301 K C 0.486 177.077 176.600 -0.015 0.000 1.052 301 K CA 0.969 57.247 56.287 -0.015 0.000 0.952 301 K CB 0.046 32.538 32.500 -0.014 0.000 0.729 301 K HN 0.212 nan 8.250 nan 0.000 0.446 302 N N -0.570 118.118 118.700 -0.020 0.000 2.549 302 N HA 0.223 4.963 4.740 0.001 0.000 0.290 302 N C -2.621 172.874 175.510 -0.025 0.000 1.122 302 N CA -1.692 51.347 53.050 -0.018 0.000 0.885 302 N CB 1.912 40.390 38.487 -0.015 0.000 1.455 302 N HN -0.210 nan 8.380 nan 0.000 0.521 303 P HA -0.116 nan 4.420 nan 0.000 0.219 303 P C 0.381 177.665 177.300 -0.026 0.000 1.144 303 P CA 1.409 64.494 63.100 -0.026 0.000 0.806 303 P CB 0.391 32.081 31.700 -0.017 0.000 0.771 304 Q N -1.875 117.913 119.800 -0.020 0.000 2.179 304 Q HA 0.329 4.670 4.340 0.001 0.000 0.213 304 Q C 0.602 176.592 176.000 -0.016 0.000 0.833 304 Q CA -0.335 55.459 55.803 -0.016 0.000 0.990 304 Q CB 0.231 28.963 28.738 -0.010 0.000 1.132 304 Q HN 0.111 nan 8.270 nan 0.000 0.493 305 A N 1.502 124.308 122.820 -0.023 0.000 2.507 305 A HA 0.014 4.334 4.320 0.001 0.000 0.235 305 A C -0.136 177.437 177.584 -0.019 0.000 1.070 305 A CA -0.083 51.941 52.037 -0.022 0.000 0.768 305 A CB 0.044 19.026 19.000 -0.030 0.000 1.011 305 A HN 0.200 nan 8.150 nan 0.000 0.502 306 D N 0.393 120.787 120.400 -0.009 0.000 2.348 306 D HA 0.317 4.958 4.640 0.001 0.000 0.253 306 D C 0.431 176.730 176.300 -0.003 0.000 1.161 306 D CA 0.141 54.140 54.000 -0.001 0.000 0.876 306 D CB 0.279 41.083 40.800 0.007 0.000 1.160 306 D HN 0.358 nan 8.370 nan 0.000 0.459 307 L N 3.142 124.368 121.223 0.005 0.000 2.741 307 L HA 0.169 4.510 4.340 0.001 0.000 0.237 307 L C 0.727 177.628 176.870 0.052 0.000 1.178 307 L CA -0.312 54.534 54.840 0.010 0.000 0.973 307 L CB -0.136 41.922 42.059 -0.001 0.000 1.255 307 L HN 0.529 nan 8.230 nan 0.000 0.498 308 D N 0.995 121.422 120.400 0.045 0.000 2.455 308 D HA 0.070 4.710 4.640 0.001 0.000 0.241 308 D C 1.167 177.508 176.300 0.068 0.000 1.138 308 D CA 1.527 55.561 54.000 0.057 0.000 0.877 308 D CB 1.386 42.212 40.800 0.044 0.000 1.187 308 D HN 0.350 nan 8.370 nan 0.000 0.451 309 G N 2.745 111.598 108.800 0.088 0.000 2.213 309 G HA2 -0.319 3.641 3.960 0.001 0.000 0.236 309 G HA3 -0.319 3.641 3.960 0.001 0.000 0.236 309 G C 0.994 175.975 174.900 0.136 0.000 0.991 309 G CA 0.909 46.071 45.100 0.102 0.000 0.629 309 G HN 0.723 nan 8.290 nan 0.000 0.517 310 T N -1.965 112.680 114.554 0.152 0.000 3.065 310 T HA 0.454 4.805 4.350 0.001 0.000 0.252 310 T C 2.478 177.362 174.700 0.308 0.000 1.099 310 T CA 1.800 64.029 62.100 0.216 0.000 1.063 310 T CB 0.467 69.439 68.868 0.172 0.000 0.948 310 T HN 2.228 nan 8.240 nan 0.000 0.506 311 G N 0.500 109.435 108.800 0.224 0.000 2.268 311 G HA2 -0.293 3.668 3.960 0.001 0.000 0.240 311 G HA3 -0.293 3.668 3.960 0.001 0.000 0.240 311 G C 0.634 175.605 174.900 0.118 0.000 1.010 311 G CA 0.191 45.377 45.100 0.145 0.000 0.618 311 G HN 0.499 nan 8.290 nan 0.000 0.516 312 F N 1.881 121.857 119.950 0.043 0.000 2.113 312 F HA 0.072 4.599 4.527 0.001 0.000 0.297 312 F C 0.690 176.461 175.800 -0.049 0.000 1.103 312 F CA 2.042 60.077 58.000 0.059 0.000 1.248 312 F CB -0.921 38.118 39.000 0.066 0.000 0.999 312 F HN 0.223 nan 8.300 nan 0.000 0.475 313 P HA -0.226 nan 4.420 nan 0.000 0.215 313 P C 1.285 178.515 177.300 -0.117 0.000 1.157 313 P CA 1.835 64.927 63.100 -0.013 0.000 0.874 313 P CB -0.015 31.699 31.700 0.023 0.000 0.790 314 K N -1.552 118.796 120.400 -0.088 0.000 2.057 314 K HA -0.152 4.168 4.320 0.001 0.000 0.207 314 K C 1.916 178.219 176.600 -0.496 0.000 1.049 314 K CA 1.192 57.409 56.287 -0.117 0.000 0.931 314 K CB -0.774 31.779 32.500 0.089 0.000 0.714 314 K HN 0.006 nan 8.250 nan 0.000 0.440 315 F N 0.827 120.180 119.950 -0.994 0.000 2.113 315 F HA -0.111 4.416 4.527 0.001 0.000 0.297 315 F C 1.722 176.962 175.800 -0.933 0.000 1.103 315 F CA 1.488 58.497 58.000 -1.652 0.000 1.248 315 F CB -0.240 37.973 39.000 -1.311 0.000 0.999 315 F HN -0.050 nan 8.300 nan 0.000 0.475 316 M N 0.163 119.124 119.600 -1.064 0.000 2.213 316 M HA -0.177 4.304 4.480 0.001 0.000 0.263 316 M C 1.588 177.334 176.300 -0.923 0.000 1.062 316 M CA 1.571 56.184 55.300 -1.146 0.000 1.105 316 M CB -0.830 31.382 32.600 -0.647 0.000 1.385 316 M HN 0.118 nan 8.290 nan 0.000 0.417 317 D N 0.486 120.547 120.400 -0.565 0.000 2.097 317 D HA -0.096 4.545 4.640 0.001 0.000 0.195 317 D C 2.096 178.203 176.300 -0.322 0.000 0.989 317 D CA 1.356 55.142 54.000 -0.358 0.000 0.827 317 D CB -0.177 40.508 40.800 -0.193 0.000 0.966 317 D HN 0.201 nan 8.370 nan 0.000 0.456 318 S N 0.276 115.790 115.700 -0.310 0.000 2.383 318 S HA -0.095 4.375 4.470 0.001 0.000 0.227 318 S C 1.812 176.395 174.600 -0.028 0.000 1.026 318 S CA 0.234 58.419 58.200 -0.025 0.000 0.981 318 S CB -0.201 63.181 63.200 0.304 0.000 0.818 318 S HN 0.154 nan 8.310 nan 0.000 0.472 319 L N 2.705 123.601 121.223 -0.544 0.000 2.083 319 L HA -0.050 4.291 4.340 0.001 0.000 0.209 319 L C 1.846 178.496 176.870 -0.367 0.000 1.083 319 L CA 1.572 56.008 54.840 -0.673 0.000 0.752 319 L CB -0.935 40.327 42.059 -1.329 0.000 0.899 319 L HN 0.166 nan 8.230 nan 0.000 0.433 320 N N -0.792 117.590 118.700 -0.531 0.000 2.028 320 N HA -0.181 4.560 4.740 0.001 0.000 0.194 320 N C 1.709 177.173 175.510 -0.077 0.000 1.050 320 N CA 2.321 55.242 53.050 -0.215 0.000 0.848 320 N CB -0.564 37.801 38.487 -0.203 0.000 1.038 320 N HN 0.427 nan 8.380 nan 0.000 0.423 321 T N -0.011 114.495 114.554 -0.081 0.000 2.737 321 T HA -0.168 4.182 4.350 0.001 0.000 0.269 321 T C 1.684 176.393 174.700 0.014 0.000 1.040 321 T CA 1.313 63.375 62.100 -0.062 0.000 1.142 321 T CB -0.602 68.252 68.868 -0.024 0.000 0.861 321 T HN 0.321 nan 8.240 nan 0.000 0.456 322 F N 1.549 121.477 119.950 -0.036 0.000 2.098 322 F HA 0.102 4.630 4.527 0.001 0.000 0.294 322 F C 1.916 177.702 175.800 -0.023 0.000 1.107 322 F CA 1.007 59.022 58.000 0.025 0.000 1.234 322 F CB -0.402 38.697 39.000 0.164 0.000 1.002 322 F HN 0.024 nan 8.300 nan 0.000 0.472 323 L N -0.311 120.800 121.223 -0.185 0.000 2.072 323 L HA -0.120 4.221 4.340 0.001 0.000 0.205 323 L C 2.399 179.019 176.870 -0.417 0.000 1.079 323 L CA 1.738 56.245 54.840 -0.556 0.000 0.752 323 L CB -1.043 40.517 42.059 -0.833 0.000 0.906 323 L HN 0.330 nan 8.230 nan 0.000 0.436 324 T N -3.879 110.545 114.554 -0.217 0.000 3.065 324 T HA 0.086 4.436 4.350 0.001 0.000 0.252 324 T C 1.701 176.390 174.700 -0.018 0.000 1.099 324 T CA -0.020 62.053 62.100 -0.045 0.000 1.063 324 T CB 0.172 69.039 68.868 -0.002 0.000 0.948 324 T HN 0.260 nan 8.240 nan 0.000 0.506 325 R N -0.077 120.343 120.500 -0.133 0.000 2.453 325 R HA 0.352 4.693 4.340 0.001 0.000 0.233 325 R C 1.540 177.817 176.300 -0.039 0.000 0.895 325 R CA 0.131 56.148 56.100 -0.137 0.000 1.028 325 R CB 0.710 30.801 30.300 -0.350 0.000 1.255 325 R HN 0.442 nan 8.270 nan 0.000 0.571 326 E N 0.475 120.620 120.200 -0.091 0.000 2.329 326 E HA 0.178 4.529 4.350 0.001 0.000 0.189 326 E C 1.576 178.117 176.600 -0.099 0.000 0.997 326 E CA -0.455 55.889 56.400 -0.093 0.000 1.062 326 E CB 0.269 29.890 29.700 -0.132 0.000 1.260 326 E HN -0.051 nan 8.360 nan 0.000 0.490 327 R N 1.022 121.375 120.500 -0.245 0.000 2.249 327 R HA -0.007 4.333 4.340 0.001 0.000 0.230 327 R C 1.836 178.230 176.300 0.157 0.000 1.121 327 R CA 1.019 57.084 56.100 -0.058 0.000 0.997 327 R CB -0.289 29.972 30.300 -0.065 0.000 0.867 327 R HN 0.168 nan 8.270 nan 0.000 0.465 328 A N 0.964 123.883 122.820 0.164 0.000 1.862 328 A HA 0.042 4.363 4.320 0.001 0.000 0.211 328 A C 2.206 179.878 177.584 0.147 0.000 1.220 328 A CA 0.271 52.441 52.037 0.223 0.000 0.616 328 A CB -0.311 18.857 19.000 0.279 0.000 0.878 328 A HN 0.099 nan 8.150 nan 0.000 0.453 329 I N 0.360 121.006 120.570 0.127 0.000 2.194 329 I HA -0.350 3.821 4.170 0.001 0.000 0.246 329 I C 2.934 179.157 176.117 0.176 0.000 1.093 329 I CA 1.227 62.599 61.300 0.121 0.000 1.355 329 I CB -0.380 37.676 38.000 0.094 0.000 1.046 329 I HN 0.387 nan 8.210 nan 0.000 0.413 330 A N 0.432 123.320 122.820 0.114 0.000 1.858 330 A HA -0.245 4.076 4.320 0.001 0.000 0.216 330 A C 2.222 179.854 177.584 0.079 0.000 1.190 330 A CA 1.814 53.903 52.037 0.087 0.000 0.617 330 A CB -0.661 18.368 19.000 0.048 0.000 0.827 330 A HN 0.399 nan 8.150 nan 0.000 0.443 331 E N -0.360 119.889 120.200 0.082 0.000 2.097 331 E HA -0.182 4.168 4.350 0.001 0.000 0.196 331 E C 1.888 178.527 176.600 0.065 0.000 1.000 331 E CA 1.470 57.905 56.400 0.059 0.000 0.804 331 E CB -0.231 29.503 29.700 0.055 0.000 0.740 331 E HN 0.653 nan 8.360 nan 0.000 0.454 332 L N -0.217 121.080 121.223 0.124 0.000 2.209 332 L HA -0.011 4.330 4.340 0.001 0.000 0.207 332 L C 2.600 179.566 176.870 0.161 0.000 1.094 332 L CA 0.384 55.327 54.840 0.171 0.000 0.790 332 L CB -0.295 41.913 42.059 0.248 0.000 0.932 332 L HN 0.045 nan 8.230 nan 0.000 0.447 333 R N 0.569 121.178 120.500 0.182 0.000 2.080 333 R HA -0.194 4.147 4.340 0.001 0.000 0.236 333 R C 2.291 178.507 176.300 -0.140 0.000 1.137 333 R CA 1.800 57.858 56.100 -0.070 0.000 0.943 333 R CB -0.161 30.157 30.300 0.030 0.000 0.846 333 R HN 0.475 nan 8.270 nan 0.000 0.431 334 Q N -0.327 119.426 119.800 -0.078 0.000 2.135 334 Q HA -0.145 4.196 4.340 0.001 0.000 0.204 334 Q C 2.154 178.087 176.000 -0.113 0.000 0.981 334 Q CA 1.648 57.379 55.803 -0.120 0.000 0.856 334 Q CB -0.070 28.605 28.738 -0.105 0.000 0.902 334 Q HN 0.226 nan 8.270 nan 0.000 0.425 335 V N 1.540 121.417 119.914 -0.062 0.000 2.358 335 V HA -0.281 3.840 4.120 0.001 0.000 0.246 335 V C 2.377 178.429 176.094 -0.069 0.000 1.047 335 V CA 2.248 64.524 62.300 -0.041 0.000 1.035 335 V CB -0.562 31.262 31.823 0.000 0.000 0.658 335 V HN 0.429 nan 8.190 nan 0.000 0.452 336 R N 0.198 120.628 120.500 -0.117 0.000 2.115 336 R HA -0.078 4.263 4.340 0.001 0.000 0.226 336 R C 2.005 178.207 176.300 -0.164 0.000 1.100 336 R CA 1.822 57.829 56.100 -0.155 0.000 0.980 336 R CB -1.386 28.760 30.300 -0.256 0.000 0.875 336 R HN 0.351 nan 8.270 nan 0.000 0.445 337 T N 1.733 116.177 114.554 -0.184 0.000 2.684 337 T HA -0.089 4.261 4.350 0.001 0.000 0.267 337 T C 1.586 176.191 174.700 -0.158 0.000 1.036 337 T CA 1.364 63.355 62.100 -0.181 0.000 1.148 337 T CB -0.226 68.521 68.868 -0.202 0.000 0.863 337 T HN 0.111 nan 8.240 nan 0.000 0.436 338 L N 0.910 122.054 121.223 -0.133 0.000 2.093 338 L HA -0.003 4.338 4.340 0.001 0.000 0.208 338 L C 2.683 179.523 176.870 -0.050 0.000 1.085 338 L CA 1.945 56.740 54.840 -0.074 0.000 0.755 338 L CB -1.308 40.737 42.059 -0.023 0.000 0.904 338 L HN 0.276 nan 8.230 nan 0.000 0.435 339 A N -0.387 122.397 122.820 -0.059 0.000 1.929 339 A HA -0.174 4.147 4.320 0.001 0.000 0.216 339 A C 2.276 179.818 177.584 -0.071 0.000 1.176 339 A CA 0.955 52.963 52.037 -0.048 0.000 0.628 339 A CB -0.390 18.584 19.000 -0.043 0.000 0.816 339 A HN 0.390 nan 8.150 nan 0.000 0.444 340 R N -0.658 119.782 120.500 -0.100 0.000 2.148 340 R HA 0.070 4.410 4.340 0.001 0.000 0.227 340 R C 1.903 178.111 176.300 -0.153 0.000 1.103 340 R CA 0.915 56.947 56.100 -0.114 0.000 0.983 340 R CB -0.339 29.887 30.300 -0.124 0.000 0.874 340 R HN 0.484 nan 8.270 nan 0.000 0.451 341 L N -0.280 120.836 121.223 -0.178 0.000 2.023 341 L HA -0.109 4.231 4.340 0.001 0.000 0.205 341 L C 2.527 179.195 176.870 -0.336 0.000 1.073 341 L CA 1.239 55.893 54.840 -0.309 0.000 0.745 341 L CB -0.441 41.493 42.059 -0.208 0.000 0.900 341 L HN 0.240 nan 8.230 nan 0.000 0.435 342 A N -1.389 121.364 122.820 -0.112 0.000 1.930 342 A HA -0.257 4.064 4.320 0.001 0.000 0.217 342 A C 2.415 179.996 177.584 -0.004 0.000 1.175 342 A CA 1.663 53.699 52.037 -0.002 0.000 0.627 342 A CB -1.188 17.834 19.000 0.037 0.000 0.815 342 A HN 0.594 nan 8.150 nan 0.000 0.443 343 C N -0.132 119.142 119.300 -0.043 0.000 2.457 343 C HA -0.055 4.405 4.460 0.001 0.000 0.278 343 C C 2.585 177.560 174.990 -0.025 0.000 1.309 343 C CA 1.304 60.306 59.018 -0.027 0.000 1.735 343 C CB -1.433 26.285 27.740 -0.037 0.000 1.992 343 C HN 0.637 nan 8.230 nan 0.000 0.493 344 N N 0.329 118.985 118.700 -0.073 0.000 2.106 344 N HA -0.094 4.647 4.740 0.001 0.000 0.188 344 N C 1.519 177.066 175.510 0.062 0.000 1.029 344 N CA 1.403 54.428 53.050 -0.042 0.000 0.848 344 N CB -0.874 37.551 38.487 -0.103 0.000 1.007 344 N HN 0.609 nan 8.380 nan 0.000 0.423 345 H N 0.640 119.728 119.070 0.030 0.000 2.387 345 H HA -0.016 4.541 4.556 0.001 0.000 0.299 345 H C 1.861 177.210 175.328 0.035 0.000 1.099 345 H CA 1.411 57.486 56.048 0.044 0.000 1.315 345 H CB -0.707 29.092 29.762 0.061 0.000 1.380 345 H HN 0.237 nan 8.280 nan 0.000 0.513 346 T N 0.531 115.171 114.554 0.144 0.000 2.639 346 T HA -0.103 4.248 4.350 0.001 0.000 0.261 346 T C 2.128 176.858 174.700 0.050 0.000 1.053 346 T CA 0.969 63.115 62.100 0.077 0.000 1.158 346 T CB -0.048 68.848 68.868 0.046 0.000 0.863 346 T HN 0.263 nan 8.240 nan 0.000 0.413 347 R N 0.953 121.474 120.500 0.035 0.000 2.133 347 R HA -0.227 4.114 4.340 0.001 0.000 0.245 347 R C 2.410 178.726 176.300 0.028 0.000 1.137 347 R CA 2.165 58.275 56.100 0.017 0.000 0.947 347 R CB -0.270 30.036 30.300 0.009 0.000 0.865 347 R HN 0.523 nan 8.270 nan 0.000 0.437 348 E N -0.747 119.487 120.200 0.056 0.000 2.077 348 E HA -0.193 4.158 4.350 0.001 0.000 0.193 348 E C 1.902 178.533 176.600 0.053 0.000 0.989 348 E CA 1.331 57.769 56.400 0.063 0.000 0.800 348 E CB -0.104 29.657 29.700 0.102 0.000 0.746 348 E HN 0.476 nan 8.360 nan 0.000 0.452 349 A N 0.558 123.413 122.820 0.058 0.000 1.855 349 A HA -0.151 4.170 4.320 0.001 0.000 0.215 349 A C 2.478 180.077 177.584 0.025 0.000 1.191 349 A CA 1.287 53.350 52.037 0.044 0.000 0.613 349 A CB -0.761 18.268 19.000 0.047 0.000 0.829 349 A HN 0.136 nan 8.150 nan 0.000 0.442 350 V N 0.150 120.070 119.914 0.010 0.000 2.380 350 V HA -0.301 3.820 4.120 0.001 0.000 0.251 350 V C 3.014 179.098 176.094 -0.017 0.000 1.063 350 V CA 1.989 64.278 62.300 -0.018 0.000 1.055 350 V CB -1.341 30.454 31.823 -0.046 0.000 0.657 350 V HN 0.624 nan 8.190 nan 0.000 0.455 351 A N -0.138 122.681 122.820 -0.002 0.000 1.933 351 A HA -0.220 4.100 4.320 0.001 0.000 0.218 351 A C 2.403 180.000 177.584 0.023 0.000 1.175 351 A CA 1.829 53.872 52.037 0.009 0.000 0.628 351 A CB -0.430 18.579 19.000 0.016 0.000 0.814 351 A HN 0.542 nan 8.150 nan 0.000 0.444 352 R N -1.349 119.168 120.500 0.027 0.000 2.093 352 R HA -0.034 4.306 4.340 0.001 0.000 0.224 352 R C 2.429 178.751 176.300 0.036 0.000 1.101 352 R CA 1.269 57.390 56.100 0.034 0.000 0.979 352 R CB -0.199 30.125 30.300 0.041 0.000 0.877 352 R HN 0.502 nan 8.270 nan 0.000 0.441 353 R N 1.417 121.934 120.500 0.029 0.000 2.062 353 R HA -0.065 4.275 4.340 0.001 0.000 0.231 353 R C 1.986 178.310 176.300 0.040 0.000 1.136 353 R CA 1.388 57.506 56.100 0.030 0.000 0.948 353 R CB -0.580 29.732 30.300 0.018 0.000 0.845 353 R HN 0.022 nan 8.270 nan 0.000 0.430 354 I N 1.981 122.572 120.570 0.035 0.000 2.074 354 I HA -0.248 3.923 4.170 0.001 0.000 0.238 354 I C -0.585 175.601 176.117 0.115 0.000 1.037 354 I CA 2.102 63.450 61.300 0.080 0.000 1.301 354 I CB -2.124 35.913 38.000 0.061 0.000 1.016 354 I HN 0.250 nan 8.210 nan 0.000 0.400 355 P HA -0.121 nan 4.420 nan 0.000 0.222 355 P C 2.067 179.404 177.300 0.061 0.000 1.147 355 P CA 1.369 64.515 63.100 0.077 0.000 0.790 355 P CB -0.073 31.663 31.700 0.059 0.000 0.780 356 L N -1.400 119.857 121.223 0.056 0.000 2.341 356 L HA 0.005 4.346 4.340 0.001 0.000 0.214 356 L C 2.615 179.512 176.870 0.046 0.000 1.115 356 L CA 0.375 55.242 54.840 0.046 0.000 0.820 356 L CB -0.729 41.355 42.059 0.042 0.000 0.944 356 L HN -0.114 nan 8.230 nan 0.000 0.452 357 L N -0.126 121.132 121.223 0.058 0.000 2.079 357 L HA -0.230 4.110 4.340 0.001 0.000 0.210 357 L C 2.249 179.147 176.870 0.046 0.000 1.081 357 L CA 1.491 56.365 54.840 0.058 0.000 0.752 357 L CB -0.350 41.760 42.059 0.084 0.000 0.896 357 L HN 0.282 nan 8.230 nan 0.000 0.433 358 E N -1.263 118.964 120.200 0.044 0.000 2.299 358 E HA -0.057 4.294 4.350 0.001 0.000 0.193 358 E C 0.797 177.411 176.600 0.022 0.000 0.998 358 E CA 0.073 56.490 56.400 0.028 0.000 0.851 358 E CB 0.210 29.924 29.700 0.023 0.000 0.795 358 E HN 0.375 nan 8.360 nan 0.000 0.492 359 Q N 0.661 120.476 119.800 0.025 0.000 2.500 359 Q HA 0.160 4.501 4.340 0.001 0.000 0.215 359 Q C -0.226 175.786 176.000 0.019 0.000 1.062 359 Q CA 0.520 56.335 55.803 0.021 0.000 0.996 359 Q CB 0.715 29.466 28.738 0.023 0.000 1.239 359 Q HN 0.054 nan 8.270 nan 0.000 0.578 360 D N -1.030 119.380 120.400 0.016 0.000 2.383 360 D HA 0.015 4.655 4.640 0.001 0.000 0.186 360 D C -1.233 175.073 176.300 0.011 0.000 1.030 360 D CA -0.048 53.961 54.000 0.014 0.000 0.880 360 D CB 0.528 41.335 40.800 0.013 0.000 3.531 360 D HN 0.315 nan 8.370 nan 0.000 0.473 361 V N 3.377 123.297 119.914 0.010 0.000 3.289 361 V HA 0.158 4.279 4.120 0.001 0.000 0.262 361 V C 0.824 176.923 176.094 0.009 0.000 1.707 361 V CA 0.960 63.266 62.300 0.010 0.000 1.024 361 V CB 0.077 31.904 31.823 0.008 0.000 0.871 361 V HN 0.509 nan 8.190 nan 0.000 0.397 362 N N 0.839 119.543 118.700 0.008 0.000 2.354 362 N HA -0.111 4.630 4.740 0.001 0.000 0.179 362 N C 1.508 177.024 175.510 0.010 0.000 1.021 362 N CA 1.174 54.228 53.050 0.007 0.000 0.887 362 N CB 0.088 38.579 38.487 0.006 0.000 0.974 362 N HN 0.575 nan 8.380 nan 0.000 0.437 363 E N 1.376 121.583 120.200 0.011 0.000 2.112 363 E HA 0.022 4.372 4.350 0.001 0.000 0.190 363 E C 1.738 178.349 176.600 0.017 0.000 0.979 363 E CA 0.505 56.913 56.400 0.014 0.000 0.814 363 E CB -0.131 29.577 29.700 0.013 0.000 0.762 363 E HN 0.288 nan 8.360 nan 0.000 0.460 364 L N 0.337 121.570 121.223 0.017 0.000 2.027 364 L HA -0.166 4.175 4.340 0.001 0.000 0.206 364 L C 2.226 179.107 176.870 0.019 0.000 1.074 364 L CA 1.505 56.357 54.840 0.020 0.000 0.745 364 L CB -0.210 41.860 42.059 0.019 0.000 0.898 364 L HN 0.144 nan 8.230 nan 0.000 0.433 365 K N -0.309 120.098 120.400 0.013 0.000 2.103 365 K HA -0.261 4.059 4.320 0.001 0.000 0.207 365 K C 2.139 178.747 176.600 0.014 0.000 1.048 365 K CA 1.462 57.754 56.287 0.010 0.000 0.930 365 K CB -0.087 32.416 32.500 0.004 0.000 0.716 365 K HN 0.234 nan 8.250 nan 0.000 0.444 366 K N 1.220 121.629 120.400 0.015 0.000 2.026 366 K HA -0.167 4.154 4.320 0.001 0.000 0.208 366 K C 2.122 178.736 176.600 0.024 0.000 1.048 366 K CA 1.319 57.617 56.287 0.017 0.000 0.929 366 K CB 0.048 32.557 32.500 0.014 0.000 0.713 366 K HN 0.006 nan 8.250 nan 0.000 0.439 367 R N 0.546 121.063 120.500 0.028 0.000 2.080 367 R HA -0.093 4.247 4.340 0.001 0.000 0.236 367 R C 2.430 178.762 176.300 0.053 0.000 1.137 367 R CA 1.933 58.054 56.100 0.036 0.000 0.943 367 R CB -0.412 29.910 30.300 0.036 0.000 0.846 367 R HN 0.238 nan 8.270 nan 0.000 0.431 368 I N 0.992 121.594 120.570 0.054 0.000 2.118 368 I HA -0.344 3.827 4.170 0.001 0.000 0.241 368 I C 1.693 177.854 176.117 0.073 0.000 1.070 368 I CA 1.437 62.781 61.300 0.072 0.000 1.327 368 I CB -0.414 37.607 38.000 0.034 0.000 1.034 368 I HN 0.184 nan 8.210 nan 0.000 0.405 369 D N 0.484 120.909 120.400 0.042 0.000 2.158 369 D HA -0.178 4.463 4.640 0.001 0.000 0.197 369 D C 2.323 178.653 176.300 0.050 0.000 0.995 369 D CA 1.839 55.861 54.000 0.037 0.000 0.846 369 D CB -0.271 40.542 40.800 0.021 0.000 0.941 369 D HN 0.389 nan 8.370 nan 0.000 0.456 370 S N -0.413 115.316 115.700 0.048 0.000 2.507 370 S HA -0.068 4.403 4.470 0.001 0.000 0.235 370 S C 1.741 176.373 174.600 0.052 0.000 0.988 370 S CA 0.575 58.800 58.200 0.041 0.000 0.944 370 S CB -0.006 63.212 63.200 0.030 0.000 0.762 370 S HN 0.096 nan 8.310 nan 0.000 0.526 371 V N 0.491 120.461 119.914 0.094 0.000 3.661 371 V HA 0.228 4.348 4.120 0.001 0.000 0.271 371 V C 2.335 178.555 176.094 0.210 0.000 1.315 371 V CA 0.619 62.988 62.300 0.114 0.000 1.072 371 V CB -0.104 31.811 31.823 0.154 0.000 0.830 371 V HN 0.329 nan 8.190 nan 0.000 0.443 372 E N 1.996 122.317 120.200 0.203 0.000 2.097 372 E HA -0.174 4.177 4.350 0.001 0.000 0.196 372 E C -0.211 176.475 176.600 0.144 0.000 1.000 372 E CA 2.146 58.665 56.400 0.198 0.000 0.804 372 E CB -1.170 28.583 29.700 0.089 0.000 0.740 372 E HN 0.459 nan 8.360 nan 0.000 0.454 373 P HA -0.166 nan 4.420 nan 0.000 0.218 373 P C 0.591 177.907 177.300 0.026 0.000 1.146 373 P CA 1.568 64.694 63.100 0.043 0.000 0.813 373 P CB 0.031 31.744 31.700 0.021 0.000 0.778 374 E N -1.602 118.598 120.200 0.001 0.000 2.216 374 E HA 0.020 4.371 4.350 0.001 0.000 0.192 374 E C 1.846 178.357 176.600 -0.149 0.000 0.973 374 E CA 0.298 56.636 56.400 -0.104 0.000 0.851 374 E CB -0.469 29.115 29.700 -0.194 0.000 0.804 374 E HN 0.186 nan 8.360 nan 0.000 0.477 375 F N 1.866 121.784 119.950 -0.054 0.000 2.171 375 F HA -0.183 4.345 4.527 0.001 0.000 0.300 375 F C 2.027 177.799 175.800 -0.048 0.000 1.090 375 F CA 0.770 58.736 58.000 -0.058 0.000 1.293 375 F CB -0.139 38.837 39.000 -0.039 0.000 1.013 375 F HN 0.019 nan 8.300 nan 0.000 0.486 376 N N 0.554 119.342 118.700 0.146 0.000 2.149 376 N HA -0.162 4.579 4.740 0.001 0.000 0.188 376 N C 1.600 177.131 175.510 0.035 0.000 1.019 376 N CA 1.221 54.314 53.050 0.073 0.000 0.857 376 N CB -0.376 38.143 38.487 0.054 0.000 0.997 376 N HN 0.355 nan 8.380 nan 0.000 0.426 377 K N 0.535 120.938 120.400 0.006 0.000 2.103 377 K HA 0.058 4.379 4.320 0.001 0.000 0.204 377 K C 2.129 178.716 176.600 -0.023 0.000 1.052 377 K CA 0.518 56.798 56.287 -0.011 0.000 0.945 377 K CB -0.100 32.378 32.500 -0.037 0.000 0.722 377 K HN 0.128 nan 8.250 nan 0.000 0.443 378 L N 0.651 121.825 121.223 -0.082 0.000 2.017 378 L HA -0.174 4.167 4.340 0.001 0.000 0.208 378 L C 2.446 179.331 176.870 0.024 0.000 1.073 378 L CA 1.348 56.120 54.840 -0.113 0.000 0.745 378 L CB -0.929 40.977 42.059 -0.256 0.000 0.894 378 L HN 0.159 nan 8.230 nan 0.000 0.432 379 T N -0.067 114.507 114.554 0.034 0.000 2.699 379 T HA -0.192 4.159 4.350 0.001 0.000 0.268 379 T C 1.840 176.547 174.700 0.012 0.000 1.036 379 T CA 1.479 63.595 62.100 0.026 0.000 1.147 379 T CB -0.681 68.207 68.868 0.033 0.000 0.862 379 T HN 0.608 nan 8.240 nan 0.000 0.446 380 G N 1.038 109.854 108.800 0.026 0.000 2.442 380 G HA2 -0.162 3.799 3.960 0.001 0.000 0.219 380 G HA3 -0.162 3.799 3.960 0.001 0.000 0.219 380 G C 1.524 176.450 174.900 0.043 0.000 1.141 380 G CA 0.570 45.691 45.100 0.035 0.000 0.763 380 G HN 0.495 nan 8.290 nan 0.000 0.554 381 I N -0.058 120.551 120.570 0.065 0.000 2.142 381 I HA -0.158 4.012 4.170 0.001 0.000 0.240 381 I C 2.882 178.939 176.117 -0.100 0.000 1.078 381 I CA 1.087 62.426 61.300 0.064 0.000 1.343 381 I CB -0.310 37.834 38.000 0.240 0.000 1.046 381 I HN 0.094 nan 8.210 nan 0.000 0.405 382 R N 1.326 121.766 120.500 -0.101 0.000 2.136 382 R HA -0.261 4.080 4.340 0.001 0.000 0.242 382 R C 1.789 178.018 176.300 -0.119 0.000 1.131 382 R CA 2.602 58.603 56.100 -0.164 0.000 0.937 382 R CB -0.739 29.475 30.300 -0.143 0.000 0.863 382 R HN 0.361 nan 8.270 nan 0.000 0.435 383 D N 0.288 120.645 120.400 -0.073 0.000 2.123 383 D HA -0.148 4.493 4.640 0.001 0.000 0.196 383 D C 1.971 178.242 176.300 -0.049 0.000 0.992 383 D CA 1.076 55.043 54.000 -0.054 0.000 0.833 383 D CB -0.172 40.613 40.800 -0.025 0.000 0.954 383 D HN 0.322 nan 8.370 nan 0.000 0.455 384 E N -0.022 120.157 120.200 -0.036 0.000 2.072 384 E HA -0.110 4.240 4.350 0.001 0.000 0.191 384 E C 1.981 178.556 176.600 -0.041 0.000 0.985 384 E CA 0.233 56.637 56.400 0.006 0.000 0.801 384 E CB -0.417 29.355 29.700 0.119 0.000 0.750 384 E HN 0.263 nan 8.360 nan 0.000 0.452 385 F N 2.237 121.897 119.950 -0.484 0.000 2.113 385 F HA -0.107 4.420 4.527 0.001 0.000 0.297 385 F C 2.442 178.122 175.800 -0.201 0.000 1.103 385 F CA 1.361 59.052 58.000 -0.516 0.000 1.248 385 F CB -0.496 38.087 39.000 -0.694 0.000 0.999 385 F HN -0.001 nan 8.300 nan 0.000 0.475 386 Q N 0.545 120.214 119.800 -0.217 0.000 2.096 386 Q HA -0.325 4.015 4.340 0.001 0.000 0.208 386 Q C 2.387 178.283 176.000 -0.174 0.000 0.993 386 Q CA 2.433 58.093 55.803 -0.238 0.000 0.862 386 Q CB -0.329 28.316 28.738 -0.155 0.000 0.915 386 Q HN 0.462 nan 8.270 nan 0.000 0.416 387 K N 0.211 120.551 120.400 -0.100 0.000 2.097 387 K HA -0.191 4.130 4.320 0.001 0.000 0.206 387 K C 1.916 178.482 176.600 -0.057 0.000 1.049 387 K CA 1.514 57.765 56.287 -0.059 0.000 0.933 387 K CB -0.051 32.439 32.500 -0.017 0.000 0.717 387 K HN 0.222 nan 8.250 nan 0.000 0.442 388 E N 0.428 120.606 120.200 -0.036 0.000 2.112 388 E HA -0.128 4.223 4.350 0.001 0.000 0.190 388 E C 1.944 178.482 176.600 -0.102 0.000 0.979 388 E CA 0.776 57.178 56.400 0.003 0.000 0.814 388 E CB 0.029 29.843 29.700 0.190 0.000 0.762 388 E HN 0.351 nan 8.360 nan 0.000 0.460 389 I N 0.924 121.366 120.570 -0.214 0.000 2.226 389 I HA -0.277 3.894 4.170 0.001 0.000 0.245 389 I C 2.431 178.436 176.117 -0.187 0.000 1.100 389 I CA 0.920 62.090 61.300 -0.218 0.000 1.374 389 I CB -0.172 37.664 38.000 -0.274 0.000 1.057 389 I HN 0.173 nan 8.210 nan 0.000 0.413 390 I N 0.670 121.148 120.570 -0.153 0.000 2.226 390 I HA -0.310 3.860 4.170 0.001 0.000 0.245 390 I C 2.191 178.212 176.117 -0.161 0.000 1.100 390 I CA 1.629 62.852 61.300 -0.129 0.000 1.374 390 I CB -0.403 37.544 38.000 -0.088 0.000 1.057 390 I HN 0.289 nan 8.210 nan 0.000 0.413 391 N N -0.146 118.467 118.700 -0.144 0.000 2.149 391 N HA -0.172 4.568 4.740 0.001 0.000 0.188 391 N C 1.664 177.043 175.510 -0.219 0.000 1.019 391 N CA 1.817 54.785 53.050 -0.137 0.000 0.857 391 N CB 0.100 38.534 38.487 -0.088 0.000 0.997 391 N HN 0.203 nan 8.380 nan 0.000 0.426 392 T N 0.064 114.429 114.554 -0.315 0.000 2.812 392 T HA -0.120 4.230 4.350 0.001 0.000 0.264 392 T C 1.705 175.921 174.700 -0.806 0.000 1.042 392 T CA 1.364 63.147 62.100 -0.528 0.000 1.140 392 T CB -0.179 68.334 68.868 -0.593 0.000 0.870 392 T HN 0.435 nan 8.240 nan 0.000 0.445 393 R N 1.662 121.706 120.500 -0.760 0.000 2.193 393 R HA -0.031 4.310 4.340 0.001 0.000 0.229 393 R C 1.397 177.452 176.300 -0.408 0.000 1.110 393 R CA 1.593 57.289 56.100 -0.673 0.000 0.988 393 R CB -0.369 29.796 30.300 -0.225 0.000 0.871 393 R HN 0.235 nan 8.270 nan 0.000 0.458 394 D N -0.017 120.200 120.400 -0.305 0.000 2.197 394 D HA -0.016 4.625 4.640 0.001 0.000 0.212 394 D C 1.625 177.818 176.300 -0.179 0.000 0.963 394 D CA 1.684 55.573 54.000 -0.185 0.000 0.864 394 D CB -0.475 40.272 40.800 -0.088 0.000 1.009 394 D HN 0.175 nan 8.370 nan 0.000 0.479 395 T N 1.109 115.541 114.554 -0.203 0.000 2.665 395 T HA -0.210 4.141 4.350 0.001 0.000 0.268 395 T C 1.908 176.498 174.700 -0.183 0.000 1.035 395 T CA 1.463 63.464 62.100 -0.165 0.000 1.151 395 T CB -0.121 68.640 68.868 -0.178 0.000 0.862 395 T HN -0.006 nan 8.240 nan 0.000 0.438 396 Q N 0.568 120.183 119.800 -0.307 0.000 2.049 396 Q HA 0.242 4.582 4.340 0.001 0.000 0.198 396 Q C 2.404 178.294 176.000 -0.183 0.000 0.971 396 Q CA 1.438 57.081 55.803 -0.266 0.000 0.833 396 Q CB -0.688 27.794 28.738 -0.426 0.000 0.896 396 Q HN 0.522 nan 8.270 nan 0.000 0.434 397 A N 0.258 122.907 122.820 -0.286 0.000 2.019 397 A HA -0.180 4.141 4.320 0.001 0.000 0.219 397 A C 2.024 179.440 177.584 -0.279 0.000 1.164 397 A CA 1.531 53.308 52.037 -0.434 0.000 0.644 397 A CB -0.435 18.023 19.000 -0.904 0.000 0.805 397 A HN 0.307 nan 8.150 nan 0.000 0.449 398 R N -0.849 119.614 120.500 -0.061 0.000 2.052 398 R HA -0.072 4.268 4.340 0.001 0.000 0.226 398 R C 2.141 178.515 176.300 0.123 0.000 1.145 398 R CA 1.815 58.008 56.100 0.156 0.000 0.952 398 R CB -0.720 29.662 30.300 0.137 0.000 0.847 398 R HN 0.394 nan 8.270 nan 0.000 0.431 399 T N 1.539 116.128 114.554 0.057 0.000 2.653 399 T HA -0.186 4.165 4.350 0.001 0.000 0.268 399 T C 1.831 176.616 174.700 0.141 0.000 1.035 399 T CA 1.874 64.018 62.100 0.074 0.000 1.154 399 T CB -0.223 68.655 68.868 0.018 0.000 0.862 399 T HN 0.172 nan 8.240 nan 0.000 0.441 400 I N 1.009 121.663 120.570 0.141 0.000 2.394 400 I HA -0.115 4.055 4.170 0.001 0.000 0.251 400 I C 2.632 179.000 176.117 0.418 0.000 1.136 400 I CA 0.853 62.314 61.300 0.268 0.000 1.425 400 I CB -0.308 37.803 38.000 0.183 0.000 1.079 400 I HN 0.125 nan 8.210 nan 0.000 0.425 401 S N 0.084 115.964 115.700 0.300 0.000 2.356 401 S HA -0.199 4.271 4.470 0.001 0.000 0.223 401 S C 1.942 176.726 174.600 0.308 0.000 1.032 401 S CA 1.343 59.728 58.200 0.308 0.000 1.005 401 S CB -0.311 63.082 63.200 0.321 0.000 0.867 401 S HN 0.482 nan 8.310 nan 0.000 0.449 402 E N 0.765 121.115 120.200 0.250 0.000 2.106 402 E HA -0.100 4.250 4.350 0.001 0.000 0.192 402 E C 2.252 178.992 176.600 0.234 0.000 0.984 402 E CA 0.962 57.486 56.400 0.205 0.000 0.806 402 E CB -0.226 29.567 29.700 0.154 0.000 0.750 402 E HN 0.407 nan 8.360 nan 0.000 0.458 403 S N 0.299 116.187 115.700 0.313 0.000 2.382 403 S HA -0.178 4.292 4.470 0.001 0.000 0.228 403 S C 1.723 176.594 174.600 0.451 0.000 1.027 403 S CA 0.883 59.333 58.200 0.417 0.000 0.991 403 S CB -0.260 63.242 63.200 0.505 0.000 0.823 403 S HN 0.295 nan 8.310 nan 0.000 0.469 404 F N 2.378 122.433 119.950 0.174 0.000 2.084 404 F HA 0.014 4.541 4.527 0.001 0.000 0.296 404 F C 2.349 178.054 175.800 -0.158 0.000 1.111 404 F CA 1.690 59.467 58.000 -0.373 0.000 1.224 404 F CB -0.443 38.279 39.000 -0.462 0.000 0.991 404 F HN 0.116 nan 8.300 nan 0.000 0.471 405 R N -0.510 120.037 120.500 0.079 0.000 2.096 405 R HA -0.210 4.130 4.340 0.001 0.000 0.240 405 R C 2.549 178.828 176.300 -0.036 0.000 1.139 405 R CA 1.703 57.809 56.100 0.010 0.000 0.952 405 R CB -1.158 29.205 30.300 0.104 0.000 0.854 405 R HN 0.278 nan 8.270 nan 0.000 0.436 406 S N -0.215 115.513 115.700 0.047 0.000 2.382 406 S HA -0.181 4.289 4.470 0.001 0.000 0.228 406 S C 1.696 176.324 174.600 0.046 0.000 1.027 406 S CA 1.047 59.285 58.200 0.063 0.000 0.991 406 S CB -0.206 63.069 63.200 0.126 0.000 0.823 406 S HN 0.397 nan 8.310 nan 0.000 0.469 407 Y N 1.471 121.708 120.300 -0.104 0.000 2.130 407 Y HA -0.082 4.468 4.550 0.001 0.000 0.287 407 Y C 2.312 178.076 175.900 -0.227 0.000 1.124 407 Y CA 1.798 59.816 58.100 -0.136 0.000 1.118 407 Y CB -0.520 37.817 38.460 -0.205 0.000 0.994 407 Y HN 0.065 nan 8.280 nan 0.000 0.497 408 V N 0.711 120.456 119.914 -0.282 0.000 2.324 408 V HA -0.362 3.759 4.120 0.001 0.000 0.250 408 V C 2.317 178.301 176.094 -0.182 0.000 1.060 408 V CA 2.152 64.263 62.300 -0.314 0.000 1.042 408 V CB -0.811 30.707 31.823 -0.509 0.000 0.650 408 V HN 0.447 nan 8.190 nan 0.000 0.450 409 L N -0.313 120.828 121.223 -0.138 0.000 2.217 409 L HA -0.082 4.259 4.340 0.001 0.000 0.211 409 L C 1.768 178.585 176.870 -0.088 0.000 1.107 409 L CA 1.299 56.088 54.840 -0.086 0.000 0.783 409 L CB -0.513 41.517 42.059 -0.049 0.000 0.919 409 L HN 0.418 nan 8.230 nan 0.000 0.442 410 N N -0.268 118.358 118.700 -0.123 0.000 2.362 410 N HA 0.075 4.816 4.740 0.001 0.000 0.204 410 N C 1.462 176.887 175.510 -0.142 0.000 1.166 410 N CA -0.165 52.812 53.050 -0.122 0.000 0.831 410 N CB 0.357 38.770 38.487 -0.123 0.000 1.008 410 N HN 0.353 nan 8.380 nan 0.000 0.472 411 L N -0.218 120.935 121.223 -0.117 0.000 2.095 411 L HA 0.008 4.348 4.340 0.001 0.000 0.204 411 L C 2.603 179.523 176.870 0.083 0.000 1.080 411 L CA 0.737 55.572 54.840 -0.009 0.000 0.759 411 L CB -0.672 41.422 42.059 0.058 0.000 0.914 411 L HN 0.235 nan 8.230 nan 0.000 0.439 412 G N 0.503 109.297 108.800 -0.009 0.000 2.545 412 G HA2 -0.342 3.618 3.960 0.001 0.000 0.222 412 G HA3 -0.342 3.618 3.960 0.001 0.000 0.222 412 G C 1.145 176.071 174.900 0.042 0.000 1.126 412 G CA 1.489 46.566 45.100 -0.038 0.000 0.754 412 G HN 0.467 nan 8.290 nan 0.000 0.583 413 N N 0.124 118.847 118.700 0.038 0.000 2.014 413 N HA -0.052 4.689 4.740 0.001 0.000 0.194 413 N C 0.998 176.567 175.510 0.099 0.000 1.083 413 N CA 1.619 54.698 53.050 0.049 0.000 0.870 413 N CB -0.520 37.977 38.487 0.018 0.000 1.061 413 N HN 0.183 nan 8.380 nan 0.000 0.427 414 T N -0.021 114.592 114.554 0.098 0.000 4.508 414 T HA 0.082 4.432 4.350 0.001 0.000 0.232 414 T C 0.223 175.047 174.700 0.206 0.000 1.027 414 T CA -0.077 62.094 62.100 0.118 0.000 0.999 414 T CB -0.697 68.222 68.868 0.085 0.000 1.402 414 T HN 0.188 nan 8.240 nan 0.000 1.003 415 F N 1.710 121.697 119.950 0.061 0.000 2.222 415 F HA 0.185 4.713 4.527 0.001 0.000 0.285 415 F C 2.080 177.912 175.800 0.053 0.000 1.068 415 F CA 0.609 58.639 58.000 0.050 0.000 1.265 415 F CB 0.042 39.014 39.000 -0.047 0.000 1.087 415 F HN 0.239 nan 8.300 nan 0.000 0.511 416 E N 0.277 120.545 120.200 0.114 0.000 2.068 416 E HA -0.375 3.976 4.350 0.001 0.000 0.207 416 E C 1.858 178.426 176.600 -0.053 0.000 1.032 416 E CA 2.013 58.431 56.400 0.030 0.000 0.839 416 E CB -0.644 29.104 29.700 0.080 0.000 0.758 416 E HN 0.446 nan 8.360 nan 0.000 0.457 417 N N 0.523 119.210 118.700 -0.022 0.000 2.104 417 N HA -0.171 4.570 4.740 0.001 0.000 0.190 417 N C 1.250 176.713 175.510 -0.078 0.000 1.024 417 N CA 1.849 54.874 53.050 -0.041 0.000 0.853 417 N CB 0.083 38.564 38.487 -0.009 0.000 1.008 417 N HN 0.059 nan 8.380 nan 0.000 0.424 418 D N -1.176 119.198 120.400 -0.044 0.000 2.162 418 D HA -0.042 4.598 4.640 0.001 0.000 0.203 418 D C 1.221 177.507 176.300 -0.025 0.000 0.967 418 D CA 0.552 54.570 54.000 0.031 0.000 0.840 418 D CB -0.242 40.712 40.800 0.258 0.000 0.972 418 D HN 0.309 nan 8.370 nan 0.000 0.482 419 F N 0.658 120.346 119.950 -0.437 0.000 2.262 419 F HA 0.028 4.556 4.527 0.001 0.000 0.292 419 F C 1.800 177.396 175.800 -0.340 0.000 1.081 419 F CA 0.297 57.987 58.000 -0.516 0.000 1.355 419 F CB -0.101 38.051 39.000 -1.413 0.000 1.069 419 F HN -0.189 nan 8.300 nan 0.000 0.506 420 L N 1.484 122.537 121.223 -0.282 0.000 2.151 420 L HA -0.249 4.092 4.340 0.001 0.000 0.215 420 L C 2.371 179.032 176.870 -0.348 0.000 1.084 420 L CA 2.020 56.705 54.840 -0.258 0.000 0.764 420 L CB -1.141 40.836 42.059 -0.137 0.000 0.891 420 L HN 0.282 nan 8.230 nan 0.000 0.435 421 R N -3.009 117.221 120.500 -0.450 0.000 2.307 421 R HA -0.090 4.251 4.340 0.001 0.000 0.199 421 R C 1.396 177.376 176.300 -0.533 0.000 1.000 421 R CA 0.976 56.794 56.100 -0.470 0.000 1.023 421 R CB -0.508 29.500 30.300 -0.486 0.000 0.908 421 R HN 0.303 nan 8.270 nan 0.000 0.473 422 Y N 0.502 120.559 120.300 -0.405 0.000 2.524 422 Y HA 0.189 4.740 4.550 0.001 0.000 0.270 422 Y C 0.832 176.414 175.900 -0.530 0.000 1.094 422 Y CA -0.740 57.099 58.100 -0.434 0.000 1.276 422 Y CB -0.096 38.064 38.460 -0.501 0.000 1.130 422 Y HN 0.020 nan 8.280 nan 0.000 0.536 423 Q N 3.224 122.679 119.800 -0.575 0.000 2.308 423 Q HA 0.008 4.349 4.340 0.001 0.000 0.313 423 Q C -2.340 173.560 176.000 -0.167 0.000 1.075 423 Q CA -1.436 54.088 55.803 -0.465 0.000 0.995 423 Q CB 0.462 29.010 28.738 -0.316 0.000 1.107 423 Q HN 0.068 nan 8.270 nan 0.000 0.380 424 P HA 0.027 nan 4.420 nan 0.000 0.271 424 P C -0.863 176.529 177.300 0.154 0.000 1.216 424 P CA -0.051 63.069 63.100 0.033 0.000 0.776 424 P CB 0.624 32.311 31.700 -0.022 0.000 0.881 425 E N 1.655 121.930 120.200 0.125 0.000 2.383 425 E HA 0.272 4.622 4.350 0.001 0.000 0.264 425 E C -0.732 175.975 176.600 0.178 0.000 1.050 425 E CA -0.338 56.131 56.400 0.115 0.000 0.896 425 E CB 0.399 30.136 29.700 0.062 0.000 0.982 425 E HN 0.376 nan 8.360 nan 0.000 0.424 426 L N 5.535 126.815 121.223 0.094 0.000 2.534 426 L HA 0.252 4.592 4.340 0.001 0.000 0.259 426 L C -0.543 176.303 176.870 -0.040 0.000 1.108 426 L CA -0.549 54.302 54.840 0.019 0.000 0.905 426 L CB 0.479 42.474 42.059 -0.107 0.000 1.138 426 L HN 0.579 nan 8.230 nan 0.000 0.475 427 N N 2.084 120.769 118.700 -0.025 0.000 2.327 427 N HA 0.059 4.799 4.740 0.001 0.000 0.257 427 N C 0.816 176.256 175.510 -0.117 0.000 1.281 427 N CA -0.764 52.249 53.050 -0.061 0.000 0.942 427 N CB 1.061 39.526 38.487 -0.037 0.000 1.199 427 N HN 0.265 nan 8.380 nan 0.000 0.532 428 L N 0.161 121.267 121.223 -0.195 0.000 1.967 428 L HA -0.195 4.146 4.340 0.001 0.000 0.240 428 L C 1.481 178.123 176.870 -0.380 0.000 1.091 428 L CA 1.801 56.397 54.840 -0.406 0.000 0.836 428 L CB -1.235 40.411 42.059 -0.689 0.000 0.912 428 L HN 0.547 nan 8.230 nan 0.000 0.433 429 F N 0.176 120.088 119.950 -0.063 0.000 2.754 429 F HA 0.006 4.533 4.527 0.001 0.000 0.303 429 F C 1.860 177.601 175.800 -0.098 0.000 1.196 429 F CA -0.015 57.913 58.000 -0.121 0.000 1.416 429 F CB -1.102 37.846 39.000 -0.087 0.000 1.092 429 F HN 0.266 nan 8.300 nan 0.000 0.541 430 D N 0.220 120.643 120.400 0.038 0.000 2.084 430 D HA -0.234 4.406 4.640 0.001 0.000 0.194 430 D C 1.847 178.163 176.300 0.028 0.000 0.990 430 D CA 1.434 55.457 54.000 0.037 0.000 0.826 430 D CB -0.545 40.269 40.800 0.024 0.000 0.971 430 D HN 0.300 nan 8.370 nan 0.000 0.453 431 F N 0.239 120.095 119.950 -0.157 0.000 2.773 431 F HA -0.050 4.478 4.527 0.001 0.000 0.299 431 F C 1.515 177.239 175.800 -0.127 0.000 1.204 431 F CA -0.035 57.868 58.000 -0.162 0.000 1.454 431 F CB 0.287 39.154 39.000 -0.220 0.000 1.117 431 F HN -0.093 nan 8.300 nan 0.000 0.590 432 L N -1.163 120.033 121.223 -0.045 0.000 2.221 432 L HA 0.074 4.415 4.340 0.001 0.000 0.202 432 L C 1.420 178.239 176.870 -0.085 0.000 1.074 432 L CA 0.826 55.618 54.840 -0.081 0.000 0.795 432 L CB -0.878 41.128 42.059 -0.087 0.000 0.960 432 L HN -0.024 nan 8.230 nan 0.000 0.458 433 S N -1.224 114.436 115.700 -0.068 0.000 2.481 433 S HA 0.014 4.484 4.470 0.001 0.000 0.276 433 S C 1.574 176.116 174.600 -0.097 0.000 1.247 433 S CA 0.289 58.452 58.200 -0.062 0.000 1.053 433 S CB 0.763 63.946 63.200 -0.028 0.000 0.925 433 S HN 0.244 nan 8.310 nan 0.000 0.491 434 S N 3.811 119.459 115.700 -0.087 0.000 2.419 434 S HA -0.051 4.420 4.470 0.001 0.000 0.235 434 S C 1.774 176.335 174.600 -0.065 0.000 1.019 434 S CA 1.748 59.892 58.200 -0.093 0.000 0.982 434 S CB -0.834 62.328 63.200 -0.064 0.000 0.789 434 S HN 0.956 nan 8.310 nan 0.000 0.490 435 G N 0.196 108.973 108.800 -0.038 0.000 2.411 435 G HA2 -0.045 3.915 3.960 0.001 0.000 0.213 435 G HA3 -0.045 3.915 3.960 0.001 0.000 0.213 435 G C 1.468 176.370 174.900 0.003 0.000 1.166 435 G CA 0.385 45.477 45.100 -0.012 0.000 0.802 435 G HN 0.490 nan 8.290 nan 0.000 0.533 436 K N -0.002 120.397 120.400 -0.002 0.000 2.217 436 K HA 0.090 4.411 4.320 0.001 0.000 0.202 436 K C 2.439 179.065 176.600 0.044 0.000 1.051 436 K CA 0.288 56.594 56.287 0.031 0.000 0.952 436 K CB -0.044 32.471 32.500 0.026 0.000 0.736 436 K HN 0.128 nan 8.250 nan 0.000 0.453 437 R N 0.360 120.825 120.500 -0.059 0.000 2.189 437 R HA -0.126 4.214 4.340 0.001 0.000 0.218 437 R C 1.720 178.038 176.300 0.030 0.000 1.074 437 R CA 1.292 57.301 56.100 -0.151 0.000 0.991 437 R CB 0.193 30.217 30.300 -0.460 0.000 0.883 437 R HN 0.103 nan 8.270 nan 0.000 0.457 438 E N 0.263 120.482 120.200 0.031 0.000 2.060 438 E HA -0.004 4.347 4.350 0.001 0.000 0.189 438 E C 1.674 178.328 176.600 0.089 0.000 0.974 438 E CA 1.339 57.773 56.400 0.057 0.000 0.808 438 E CB -0.151 29.565 29.700 0.028 0.000 0.768 438 E HN 0.279 nan 8.360 nan 0.000 0.453 439 A N 0.656 123.531 122.820 0.092 0.000 1.873 439 A HA -0.204 4.116 4.320 0.001 0.000 0.218 439 A C 2.288 179.951 177.584 0.132 0.000 1.193 439 A CA 1.841 53.937 52.037 0.098 0.000 0.629 439 A CB -1.305 17.751 19.000 0.094 0.000 0.826 439 A HN 0.524 nan 8.150 nan 0.000 0.447 440 F N 1.226 121.216 119.950 0.066 0.000 2.095 440 F HA -0.239 4.288 4.527 0.001 0.000 0.298 440 F C 2.167 178.047 175.800 0.134 0.000 1.104 440 F CA 2.183 60.249 58.000 0.110 0.000 1.232 440 F CB -0.375 38.721 39.000 0.160 0.000 0.987 440 F HN 0.258 nan 8.300 nan 0.000 0.475 441 N N 0.654 119.431 118.700 0.128 0.000 2.069 441 N HA -0.216 4.525 4.740 0.001 0.000 0.191 441 N C 2.011 177.503 175.510 -0.029 0.000 1.031 441 N CA 1.510 54.588 53.050 0.046 0.000 0.852 441 N CB -0.464 38.118 38.487 0.159 0.000 1.018 441 N HN 0.465 nan 8.380 nan 0.000 0.423 442 A N 1.012 123.835 122.820 0.005 0.000 1.902 442 A HA -0.028 4.293 4.320 0.001 0.000 0.217 442 A C 2.369 179.941 177.584 -0.019 0.000 1.181 442 A CA 1.927 53.972 52.037 0.013 0.000 0.623 442 A CB -0.776 18.242 19.000 0.030 0.000 0.818 442 A HN 0.378 nan 8.150 nan 0.000 0.443 443 A N -0.634 122.142 122.820 -0.072 0.000 1.933 443 A HA -0.022 4.299 4.320 0.001 0.000 0.218 443 A C 2.201 179.698 177.584 -0.144 0.000 1.175 443 A CA 1.428 53.408 52.037 -0.095 0.000 0.628 443 A CB -0.507 18.437 19.000 -0.094 0.000 0.814 443 A HN 0.513 nan 8.150 nan 0.000 0.444 444 L N -1.030 120.032 121.223 -0.270 0.000 2.027 444 L HA -0.216 4.124 4.340 0.001 0.000 0.206 444 L C 2.834 179.777 176.870 0.122 0.000 1.074 444 L CA 2.069 56.816 54.840 -0.157 0.000 0.745 444 L CB -0.369 41.521 42.059 -0.281 0.000 0.898 444 L HN 0.574 nan 8.230 nan 0.000 0.433 445 Q N 0.742 120.602 119.800 0.100 0.000 2.029 445 Q HA -0.331 4.009 4.340 0.001 0.000 0.209 445 Q C 2.160 178.252 176.000 0.153 0.000 0.999 445 Q CA 2.471 58.366 55.803 0.153 0.000 0.857 445 Q CB -0.283 28.511 28.738 0.093 0.000 0.926 445 Q HN 0.269 nan 8.270 nan 0.000 0.415 446 K N -0.964 119.484 120.400 0.081 0.000 2.057 446 K HA -0.148 4.172 4.320 0.001 0.000 0.207 446 K C 1.922 178.547 176.600 0.042 0.000 1.049 446 K CA 1.173 57.498 56.287 0.063 0.000 0.931 446 K CB -0.349 32.174 32.500 0.038 0.000 0.714 446 K HN 0.311 nan 8.250 nan 0.000 0.440 447 A N 0.759 123.585 122.820 0.010 0.000 1.865 447 A HA -0.165 4.156 4.320 0.001 0.000 0.217 447 A C 2.001 179.559 177.584 -0.043 0.000 1.191 447 A CA 1.473 53.450 52.037 -0.100 0.000 0.623 447 A CB -0.994 17.875 19.000 -0.218 0.000 0.826 447 A HN 0.385 nan 8.150 nan 0.000 0.444 448 F N 0.138 120.215 119.950 0.211 0.000 2.161 448 F HA -0.186 4.341 4.527 0.001 0.000 0.300 448 F C 2.559 178.467 175.800 0.180 0.000 1.089 448 F CA 1.761 59.947 58.000 0.310 0.000 1.282 448 F CB -0.112 39.044 39.000 0.259 0.000 1.010 448 F HN 0.341 nan 8.300 nan 0.000 0.485 449 E N -0.207 120.157 120.200 0.274 0.000 2.031 449 E HA -0.273 4.078 4.350 0.001 0.000 0.193 449 E C 2.164 178.794 176.600 0.050 0.000 0.994 449 E CA 1.452 57.946 56.400 0.156 0.000 0.800 449 E CB -0.264 29.509 29.700 0.121 0.000 0.752 449 E HN 0.546 nan 8.360 nan 0.000 0.447 450 Q N -0.188 119.569 119.800 -0.073 0.000 2.050 450 Q HA -0.217 4.124 4.340 0.001 0.000 0.202 450 Q C 2.001 177.728 176.000 -0.456 0.000 0.980 450 Q CA 1.677 57.334 55.803 -0.244 0.000 0.840 450 Q CB -0.334 28.206 28.738 -0.330 0.000 0.898 450 Q HN 0.378 nan 8.270 nan 0.000 0.424 451 Y N 1.332 121.164 120.300 -0.780 0.000 1.993 451 Y HA -0.343 4.207 4.550 0.001 0.000 0.267 451 Y C 2.018 177.915 175.900 -0.006 0.000 1.155 451 Y CA 2.012 59.844 58.100 -0.447 0.000 1.105 451 Y CB -0.314 38.143 38.460 -0.004 0.000 0.960 451 Y HN 0.010 nan 8.280 nan 0.000 0.486 452 I N -0.278 120.266 120.570 -0.043 0.000 2.118 452 I HA -0.406 3.764 4.170 0.001 0.000 0.241 452 I C 2.355 178.438 176.117 -0.057 0.000 1.070 452 I CA 2.086 63.349 61.300 -0.061 0.000 1.327 452 I CB -0.864 37.225 38.000 0.148 0.000 1.034 452 I HN 0.330 nan 8.210 nan 0.000 0.405 453 T N -0.031 114.515 114.554 -0.012 0.000 2.720 453 T HA -0.207 4.144 4.350 0.001 0.000 0.268 453 T C 1.595 176.272 174.700 -0.038 0.000 1.037 453 T CA 1.620 63.726 62.100 0.010 0.000 1.144 453 T CB -0.333 68.562 68.868 0.046 0.000 0.864 453 T HN 0.331 nan 8.240 nan 0.000 0.444 454 D N 0.675 121.037 120.400 -0.064 0.000 2.149 454 D HA -0.067 4.574 4.640 0.001 0.000 0.198 454 D C 2.312 178.607 176.300 -0.009 0.000 0.990 454 D CA 0.968 54.950 54.000 -0.030 0.000 0.839 454 D CB -0.001 40.843 40.800 0.075 0.000 0.948 454 D HN 0.262 nan 8.370 nan 0.000 0.460 455 K N 0.504 120.874 120.400 -0.051 0.000 2.044 455 K HA -0.016 4.304 4.320 0.001 0.000 0.204 455 K C 2.286 178.994 176.600 0.180 0.000 1.049 455 K CA 0.792 57.117 56.287 0.063 0.000 0.945 455 K CB -0.373 32.057 32.500 -0.116 0.000 0.724 455 K HN 0.137 nan 8.250 nan 0.000 0.440 456 S N 0.988 116.761 115.700 0.121 0.000 2.428 456 S HA -0.003 4.468 4.470 0.001 0.000 0.230 456 S C 2.264 176.969 174.600 0.175 0.000 1.014 456 S CA 0.853 59.158 58.200 0.175 0.000 0.957 456 S CB -0.142 63.170 63.200 0.186 0.000 0.784 456 S HN 0.251 nan 8.310 nan 0.000 0.499 457 A N 2.344 125.209 122.820 0.075 0.000 1.902 457 A HA 0.292 4.613 4.320 0.001 0.000 0.217 457 A C 2.544 180.126 177.584 -0.004 0.000 1.181 457 A CA 1.642 53.686 52.037 0.012 0.000 0.623 457 A CB -1.499 17.435 19.000 -0.109 0.000 0.818 457 A HN 0.789 nan 8.150 nan 0.000 0.443 458 A N -1.467 121.359 122.820 0.010 0.000 1.908 458 A HA -0.213 4.107 4.320 0.001 0.000 0.218 458 A C 2.007 179.549 177.584 -0.070 0.000 1.181 458 A CA 1.705 53.744 52.037 0.004 0.000 0.627 458 A CB -0.919 18.140 19.000 0.098 0.000 0.818 458 A HN 0.914 nan 8.150 nan 0.000 0.445 459 W N 1.100 122.192 121.300 -0.347 0.000 2.418 459 W HA -0.106 4.554 4.660 0.000 0.000 0.292 459 W C 2.074 178.470 176.519 -0.206 0.000 1.213 459 W CA 2.164 59.186 57.345 -0.538 0.000 1.283 459 W CB -0.431 28.485 29.460 -0.906 0.000 1.119 459 W HN 0.265 nan 8.180 nan 0.000 0.542 460 T N 2.088 116.558 114.554 -0.140 0.000 2.746 460 T HA -0.236 4.115 4.350 0.001 0.000 0.267 460 T C 1.866 176.378 174.700 -0.313 0.000 1.039 460 T CA 1.390 63.315 62.100 -0.291 0.000 1.142 460 T CB -0.802 68.072 68.868 0.011 0.000 0.866 460 T HN 0.172 nan 8.240 nan 0.000 0.444 461 L N 1.004 122.112 121.223 -0.192 0.000 2.187 461 L HA -0.140 4.201 4.340 0.001 0.000 0.213 461 L C 2.221 178.980 176.870 -0.185 0.000 1.100 461 L CA 1.715 56.475 54.840 -0.132 0.000 0.765 461 L CB -1.091 40.916 42.059 -0.087 0.000 0.904 461 L HN 0.293 nan 8.230 nan 0.000 0.437 462 T N -0.435 113.922 114.554 -0.329 0.000 2.894 462 T HA 0.054 4.404 4.350 0.001 0.000 0.258 462 T C 1.879 176.344 174.700 -0.391 0.000 1.043 462 T CA 1.027 62.928 62.100 -0.332 0.000 1.141 462 T CB 0.135 68.793 68.868 -0.349 0.000 0.873 462 T HN 0.546 nan 8.240 nan 0.000 0.449 463 A N 1.363 123.795 122.820 -0.647 0.000 1.858 463 A HA -0.099 4.222 4.320 0.001 0.000 0.216 463 A C 2.086 179.512 177.584 -0.264 0.000 1.190 463 A CA 1.694 53.419 52.037 -0.521 0.000 0.617 463 A CB -0.730 17.804 19.000 -0.778 0.000 0.827 463 A HN 0.545 nan 8.150 nan 0.000 0.443 464 E N -0.525 119.588 120.200 -0.145 0.000 2.172 464 E HA -0.346 4.005 4.350 0.001 0.000 0.213 464 E C 2.098 178.707 176.600 0.015 0.000 1.051 464 E CA 2.150 58.609 56.400 0.098 0.000 0.860 464 E CB -0.188 29.622 29.700 0.183 0.000 0.755 464 E HN 0.676 nan 8.360 nan 0.000 0.462 465 K N 0.510 120.886 120.400 -0.041 0.000 2.057 465 K HA -0.189 4.131 4.320 0.001 0.000 0.207 465 K C 1.699 178.261 176.600 -0.063 0.000 1.049 465 K CA 1.975 58.243 56.287 -0.031 0.000 0.931 465 K CB 0.047 32.519 32.500 -0.047 0.000 0.714 465 K HN -0.018 nan 8.250 nan 0.000 0.440 466 D N 0.729 121.063 120.400 -0.111 0.000 2.097 466 D HA -0.143 4.498 4.640 0.001 0.000 0.195 466 D C 1.920 178.130 176.300 -0.150 0.000 0.989 466 D CA 1.057 54.989 54.000 -0.114 0.000 0.827 466 D CB -0.093 40.639 40.800 -0.114 0.000 0.966 466 D HN 0.175 nan 8.370 nan 0.000 0.456 467 I N 1.269 121.685 120.570 -0.256 0.000 2.099 467 I HA -0.250 3.920 4.170 0.001 0.000 0.239 467 I C 2.007 177.914 176.117 -0.350 0.000 1.066 467 I CA 1.139 62.174 61.300 -0.443 0.000 1.324 467 I CB -1.205 36.179 38.000 -1.026 0.000 1.037 467 I HN 0.074 nan 8.210 nan 0.000 0.401 468 N N 1.129 119.693 118.700 -0.228 0.000 2.094 468 N HA -0.175 4.566 4.740 0.001 0.000 0.191 468 N C 1.890 177.444 175.510 0.074 0.000 1.023 468 N CA 1.877 54.967 53.050 0.067 0.000 0.857 468 N CB -0.179 38.422 38.487 0.190 0.000 1.013 468 N HN 0.428 nan 8.380 nan 0.000 0.426 469 A N 0.924 123.748 122.820 0.007 0.000 1.902 469 A HA -0.003 4.317 4.320 0.001 0.000 0.217 469 A C 2.410 179.990 177.584 -0.007 0.000 1.181 469 A CA 1.958 53.999 52.037 0.007 0.000 0.623 469 A CB -0.764 18.225 19.000 -0.019 0.000 0.818 469 A HN 0.348 nan 8.150 nan 0.000 0.443 470 A N -1.136 121.646 122.820 -0.063 0.000 1.877 470 A HA -0.043 4.278 4.320 0.001 0.000 0.216 470 A C 2.016 179.538 177.584 -0.104 0.000 1.186 470 A CA 1.486 53.448 52.037 -0.125 0.000 0.620 470 A CB -0.799 18.088 19.000 -0.189 0.000 0.822 470 A HN 0.501 nan 8.150 nan 0.000 0.443 471 F N -0.106 119.833 119.950 -0.018 0.000 2.234 471 F HA -0.107 4.421 4.527 0.001 0.000 0.299 471 F C 2.328 178.137 175.800 0.016 0.000 1.087 471 F CA 1.671 59.633 58.000 -0.062 0.000 1.340 471 F CB 0.046 38.971 39.000 -0.126 0.000 1.031 471 F HN 0.186 nan 8.300 nan 0.000 0.500 472 K N 0.527 121.049 120.400 0.204 0.000 2.148 472 K HA -0.222 4.098 4.320 0.001 0.000 0.204 472 K C 1.930 178.606 176.600 0.125 0.000 1.050 472 K CA 1.537 57.916 56.287 0.153 0.000 0.942 472 K CB -0.043 32.523 32.500 0.112 0.000 0.724 472 K HN 0.142 nan 8.250 nan 0.000 0.446 473 E N 0.521 120.778 120.200 0.096 0.000 2.158 473 E HA -0.063 4.288 4.350 0.001 0.000 0.191 473 E C 1.806 178.494 176.600 0.147 0.000 0.982 473 E CA 0.700 57.152 56.400 0.086 0.000 0.823 473 E CB 0.057 29.780 29.700 0.039 0.000 0.766 473 E HN 0.289 nan 8.360 nan 0.000 0.468 474 L N -0.285 121.046 121.223 0.180 0.000 2.156 474 L HA -0.068 4.273 4.340 0.001 0.000 0.208 474 L C 2.490 179.617 176.870 0.427 0.000 1.095 474 L CA 0.872 55.918 54.840 0.343 0.000 0.770 474 L CB -0.320 41.886 42.059 0.246 0.000 0.914 474 L HN 0.132 nan 8.230 nan 0.000 0.439 475 S N -0.184 115.701 115.700 0.308 0.000 2.382 475 S HA -0.198 4.273 4.470 0.001 0.000 0.228 475 S C 2.167 176.862 174.600 0.159 0.000 1.027 475 S CA 1.253 59.608 58.200 0.258 0.000 0.991 475 S CB -0.094 63.229 63.200 0.205 0.000 0.823 475 S HN 0.326 nan 8.310 nan 0.000 0.469 476 R N 0.233 120.811 120.500 0.130 0.000 2.090 476 R HA 0.028 4.369 4.340 0.001 0.000 0.228 476 R C 2.298 178.624 176.300 0.044 0.000 1.110 476 R CA 1.559 57.699 56.100 0.067 0.000 0.973 476 R CB -0.371 29.962 30.300 0.055 0.000 0.869 476 R HN 0.315 nan 8.270 nan 0.000 0.440 477 S N 0.500 116.266 115.700 0.110 0.000 2.368 477 S HA -0.079 4.391 4.470 0.001 0.000 0.224 477 S C 1.957 176.543 174.600 -0.023 0.000 1.029 477 S CA 1.020 59.274 58.200 0.089 0.000 0.988 477 S CB -0.117 63.297 63.200 0.356 0.000 0.838 477 S HN 0.546 nan 8.310 nan 0.000 0.462 478 A N 1.127 123.909 122.820 -0.064 0.000 1.908 478 A HA -0.149 4.171 4.320 0.001 0.000 0.218 478 A C 2.286 179.766 177.584 -0.173 0.000 1.181 478 A CA 2.092 54.010 52.037 -0.199 0.000 0.627 478 A CB -1.133 17.904 19.000 0.060 0.000 0.818 478 A HN 0.481 nan 8.150 nan 0.000 0.445 479 S N -0.913 114.728 115.700 -0.099 0.000 2.356 479 S HA -0.238 4.232 4.470 0.001 0.000 0.223 479 S C 2.177 176.713 174.600 -0.107 0.000 1.032 479 S CA 1.778 59.911 58.200 -0.112 0.000 1.005 479 S CB -0.379 62.783 63.200 -0.063 0.000 0.867 479 S HN 0.698 nan 8.310 nan 0.000 0.449 480 Q N -0.716 119.017 119.800 -0.112 0.000 1.965 480 Q HA -0.120 4.221 4.340 0.001 0.000 0.200 480 Q C 2.024 177.956 176.000 -0.113 0.000 0.981 480 Q CA 1.989 57.701 55.803 -0.152 0.000 0.834 480 Q CB -0.505 28.074 28.738 -0.264 0.000 0.900 480 Q HN 0.701 nan 8.270 nan 0.000 0.426 481 Y N 0.575 120.848 120.300 -0.045 0.000 2.181 481 Y HA -0.275 4.275 4.550 0.001 0.000 0.284 481 Y C 2.490 178.499 175.900 0.182 0.000 1.179 481 Y CA 0.944 59.087 58.100 0.072 0.000 1.179 481 Y CB -0.676 37.797 38.460 0.021 0.000 0.973 481 Y HN 0.275 nan 8.280 nan 0.000 0.519 482 G N -0.393 108.463 108.800 0.093 0.000 2.459 482 G HA2 -0.299 3.661 3.960 0.001 0.000 0.217 482 G HA3 -0.299 3.661 3.960 0.001 0.000 0.217 482 G C 1.900 176.836 174.900 0.060 0.000 1.183 482 G CA 1.155 46.188 45.100 -0.111 0.000 0.776 482 G HN 0.490 nan 8.290 nan 0.000 0.552 483 A N 0.539 123.367 122.820 0.013 0.000 1.883 483 A HA -0.065 4.255 4.320 0.001 0.000 0.217 483 A C 2.675 180.303 177.584 0.074 0.000 1.186 483 A CA 2.540 54.590 52.037 0.023 0.000 0.624 483 A CB -0.969 18.021 19.000 -0.016 0.000 0.822 483 A HN 0.523 nan 8.150 nan 0.000 0.444 484 S N -2.109 113.648 115.700 0.095 0.000 2.382 484 S HA -0.219 4.252 4.470 0.001 0.000 0.228 484 S C 1.873 176.577 174.600 0.174 0.000 1.027 484 S CA 1.655 59.921 58.200 0.111 0.000 0.991 484 S CB -0.554 62.715 63.200 0.113 0.000 0.823 484 S HN 0.628 nan 8.310 nan 0.000 0.469 485 Y N 2.185 122.574 120.300 0.149 0.000 2.242 485 Y HA -0.016 4.534 4.550 0.001 0.000 0.291 485 Y C 2.054 178.020 175.900 0.110 0.000 1.137 485 Y CA 2.014 60.229 58.100 0.193 0.000 1.181 485 Y CB -0.426 38.274 38.460 0.399 0.000 0.989 485 Y HN 0.455 nan 8.280 nan 0.000 0.527 486 N N -0.852 117.996 118.700 0.246 0.000 2.171 486 N HA -0.187 4.553 4.740 0.001 0.000 0.184 486 N C 1.661 177.195 175.510 0.040 0.000 1.021 486 N CA 0.762 53.892 53.050 0.135 0.000 0.854 486 N CB -0.058 38.489 38.487 0.099 0.000 0.994 486 N HN 0.362 nan 8.380 nan 0.000 0.426 487 Q N 1.311 121.128 119.800 0.028 0.000 1.978 487 Q HA -0.214 4.127 4.340 0.001 0.000 0.211 487 Q C 2.243 178.216 176.000 -0.046 0.000 1.013 487 Q CA 1.328 57.128 55.803 -0.006 0.000 0.869 487 Q CB -0.773 27.964 28.738 -0.002 0.000 0.953 487 Q HN 0.432 nan 8.270 nan 0.000 0.415 488 I N 0.449 120.971 120.570 -0.081 0.000 2.185 488 I HA -0.252 3.919 4.170 0.001 0.000 0.246 488 I C 2.366 178.363 176.117 -0.201 0.000 1.088 488 I CA 1.655 62.860 61.300 -0.158 0.000 1.347 488 I CB -1.727 36.135 38.000 -0.230 0.000 1.041 488 I HN 0.257 nan 8.210 nan 0.000 0.415 489 T N 0.720 115.164 114.554 -0.183 0.000 2.777 489 T HA -0.151 4.200 4.350 0.001 0.000 0.266 489 T C 1.449 176.094 174.700 -0.092 0.000 1.040 489 T CA 1.672 63.678 62.100 -0.157 0.000 1.141 489 T CB -0.122 68.719 68.868 -0.046 0.000 0.868 489 T HN 0.297 nan 8.240 nan 0.000 0.444 490 D N 0.974 121.343 120.400 -0.051 0.000 2.144 490 D HA -0.050 4.591 4.640 0.001 0.000 0.200 490 D C 2.362 178.634 176.300 -0.047 0.000 0.978 490 D CA 0.889 54.870 54.000 -0.031 0.000 0.833 490 D CB -0.313 40.479 40.800 -0.013 0.000 0.961 490 D HN 0.505 nan 8.370 nan 0.000 0.470 491 Q N 0.015 119.775 119.800 -0.067 0.000 2.124 491 Q HA -0.093 4.248 4.340 0.001 0.000 0.202 491 Q C 2.373 178.321 176.000 -0.086 0.000 0.977 491 Q CA 0.700 56.462 55.803 -0.069 0.000 0.850 491 Q CB 0.023 28.713 28.738 -0.079 0.000 0.901 491 Q HN 0.388 nan 8.270 nan 0.000 0.429 492 I N 0.226 120.715 120.570 -0.135 0.000 2.142 492 I HA -0.253 3.918 4.170 0.001 0.000 0.240 492 I C 2.140 178.217 176.117 -0.066 0.000 1.078 492 I CA 1.305 62.514 61.300 -0.153 0.000 1.343 492 I CB -0.594 37.225 38.000 -0.302 0.000 1.046 492 I HN 0.185 nan 8.210 nan 0.000 0.405 493 T N -0.096 114.429 114.554 -0.048 0.000 2.803 493 T HA -0.230 4.121 4.350 0.001 0.000 0.269 493 T C 1.738 176.435 174.700 -0.005 0.000 1.052 493 T CA 1.482 63.575 62.100 -0.011 0.000 1.136 493 T CB -0.225 68.643 68.868 -0.001 0.000 0.864 493 T HN 0.394 nan 8.240 nan 0.000 0.467 494 E N 0.960 121.151 120.200 -0.015 0.000 2.008 494 E HA -0.058 4.293 4.350 0.001 0.000 0.191 494 E C 2.178 178.776 176.600 -0.003 0.000 0.986 494 E CA 0.832 57.228 56.400 -0.007 0.000 0.807 494 E CB 0.045 29.738 29.700 -0.013 0.000 0.766 494 E HN 0.296 nan 8.360 nan 0.000 0.450 495 K N 0.168 120.562 120.400 -0.010 0.000 2.362 495 K HA -0.157 4.163 4.320 0.001 0.000 0.202 495 K C 2.048 178.655 176.600 0.012 0.000 1.045 495 K CA 0.752 57.038 56.287 -0.001 0.000 0.936 495 K CB -0.011 32.484 32.500 -0.008 0.000 0.747 495 K HN 0.250 nan 8.250 nan 0.000 0.467 496 L N -0.554 120.678 121.223 0.014 0.000 2.168 496 L HA -0.075 4.266 4.340 0.001 0.000 0.203 496 L C 2.119 179.005 176.870 0.026 0.000 1.078 496 L CA 0.987 55.843 54.840 0.028 0.000 0.780 496 L CB -0.085 41.996 42.059 0.037 0.000 0.939 496 L HN 0.092 nan 8.230 nan 0.000 0.451 497 T N -1.661 112.906 114.554 0.022 0.000 2.988 497 T HA 0.255 4.605 4.350 0.001 0.000 0.240 497 T C 1.301 176.013 174.700 0.021 0.000 1.014 497 T CA 1.005 63.119 62.100 0.024 0.000 1.155 497 T CB 0.662 69.545 68.868 0.026 0.000 0.872 497 T HN 0.521 nan 8.240 nan 0.000 0.440 498 G N 1.736 110.546 108.800 0.015 0.000 2.905 498 G HA2 -0.146 3.815 3.960 0.001 0.000 0.199 498 G HA3 -0.146 3.815 3.960 0.001 0.000 0.199 498 G C -0.152 174.755 174.900 0.011 0.000 1.370 498 G CA -0.294 44.814 45.100 0.013 0.000 0.966 498 G HN 0.578 nan 8.290 nan 0.000 0.522 499 K N 1.469 121.877 120.400 0.014 0.000 2.118 499 K HA 0.671 4.991 4.320 0.001 0.000 0.264 499 K C -0.735 175.872 176.600 0.012 0.000 1.000 499 K CA -0.368 55.927 56.287 0.013 0.000 0.929 499 K CB 1.939 34.449 32.500 0.017 0.000 1.021 499 K HN 0.271 nan 8.250 nan 0.000 0.463 500 D N -0.042 120.364 120.400 0.009 0.000 2.549 500 D HA 0.478 5.118 4.640 0.001 0.000 0.270 500 D C -1.281 175.025 176.300 0.010 0.000 1.181 500 D CA -0.678 53.326 54.000 0.008 0.000 1.070 500 D CB 1.654 42.457 40.800 0.004 0.000 1.154 500 D HN 0.250 nan 8.370 nan 0.000 0.602 511 E N 2.722 122.900 120.200 -0.037 0.000 2.290 511 E HA 0.067 4.418 4.350 0.001 0.000 0.277 511 E C -0.634 175.930 176.600 -0.060 0.000 1.035 511 E CA -0.076 56.293 56.400 -0.052 0.000 0.873 511 E CB 0.713 30.372 29.700 -0.068 0.000 1.029 511 E HN -0.050 nan 8.360 nan 0.000 0.419 512 D N 3.509 123.870 120.400 -0.065 0.000 2.493 512 D HA -0.092 4.548 4.640 0.001 0.000 0.240 512 D C -0.247 176.001 176.300 -0.087 0.000 1.142 512 D CA 0.228 54.185 54.000 -0.071 0.000 0.872 512 D CB 0.389 41.145 40.800 -0.073 0.000 1.173 512 D HN 0.436 nan 8.370 nan 0.000 0.467 513 N N 1.776 120.428 118.700 -0.080 0.000 2.813 513 N HA 0.080 4.820 4.740 0.001 0.000 0.282 513 N C -1.078 174.380 175.510 -0.086 0.000 1.748 513 N CA -0.647 52.351 53.050 -0.087 0.000 0.860 513 N CB 0.258 38.702 38.487 -0.072 0.000 1.204 513 N HN 0.176 nan 8.380 nan 0.000 0.490 514 S N 0.749 116.374 115.700 -0.125 0.000 2.624 514 S HA 0.500 4.971 4.470 0.001 0.000 0.263 514 S C -2.295 172.180 174.600 -0.207 0.000 1.287 514 S CA -0.963 57.134 58.200 -0.171 0.000 0.990 514 S CB 0.727 63.785 63.200 -0.236 0.000 0.950 514 S HN 0.371 nan 8.310 nan 0.000 0.561 515 P HA 0.166 nan 4.420 nan 0.000 0.272 515 P C 1.329 178.466 177.300 -0.273 0.000 1.230 515 P CA -0.061 62.915 63.100 -0.207 0.000 0.788 515 P CB 0.111 31.655 31.700 -0.259 0.000 0.949 516 G N 2.751 111.580 108.800 0.050 0.000 2.766 516 G HA2 -0.304 3.656 3.960 0.001 0.000 0.222 516 G HA3 -0.304 3.656 3.960 0.001 0.000 0.222 516 G C 1.401 176.420 174.900 0.199 0.000 1.225 516 G CA 1.232 46.444 45.100 0.186 0.000 0.784 516 G HN 0.784 nan 8.290 nan 0.000 0.631 517 W N 1.389 122.795 121.300 0.176 0.000 2.325 517 W HA -0.002 4.658 4.660 0.001 0.000 0.299 517 W C 2.297 178.887 176.519 0.118 0.000 1.215 517 W CA 1.736 59.165 57.345 0.141 0.000 1.244 517 W CB -1.185 28.254 29.460 -0.034 0.000 1.140 517 W HN 0.385 nan 8.180 nan 0.000 0.523 518 A N 1.523 123.771 122.820 -0.954 0.000 1.930 518 A HA -0.153 4.168 4.320 0.001 0.000 0.217 518 A C 2.166 179.571 177.584 -0.298 0.000 1.175 518 A CA 1.955 53.432 52.037 -0.933 0.000 0.627 518 A CB -0.709 17.528 19.000 -1.273 0.000 0.815 518 A HN 0.330 nan 8.150 nan 0.000 0.443 519 K N -1.177 119.075 120.400 -0.247 0.000 1.991 519 K HA -0.224 4.097 4.320 0.001 0.000 0.212 519 K C 1.788 178.325 176.600 -0.104 0.000 1.049 519 K CA 1.871 58.039 56.287 -0.198 0.000 0.932 519 K CB -0.359 31.970 32.500 -0.285 0.000 0.717 519 K HN 0.668 nan 8.250 nan 0.000 0.441 520 W N 0.723 122.037 121.300 0.024 0.000 2.301 520 W HA -0.286 4.374 4.660 0.001 0.000 0.325 520 W C 2.513 179.117 176.519 0.143 0.000 1.250 520 W CA 1.495 58.896 57.345 0.094 0.000 1.261 520 W CB -0.711 28.812 29.460 0.105 0.000 1.157 520 W HN 0.195 nan 8.180 nan 0.000 0.473 521 A N -0.333 122.711 122.820 0.372 0.000 1.986 521 A HA -0.243 4.077 4.320 0.001 0.000 0.220 521 A C 1.887 179.715 177.584 0.408 0.000 1.171 521 A CA 2.093 54.338 52.037 0.347 0.000 0.640 521 A CB -0.790 18.469 19.000 0.432 0.000 0.811 521 A HN 0.379 nan 8.150 nan 0.000 0.451 522 M N -1.851 117.891 119.600 0.237 0.000 2.556 522 M HA 0.149 4.630 4.480 0.001 0.000 0.245 522 M C 1.529 177.931 176.300 0.169 0.000 1.128 522 M CA 0.786 56.194 55.300 0.179 0.000 1.069 522 M CB 0.133 32.763 32.600 0.050 0.000 1.469 522 M HN 0.654 nan 8.290 nan 0.000 0.494 523 G N 0.467 109.387 108.800 0.200 0.000 2.205 523 G HA2 -0.284 3.677 3.960 0.001 0.000 0.261 523 G HA3 -0.284 3.677 3.960 0.001 0.000 0.261 523 G C 0.651 175.571 174.900 0.032 0.000 0.980 523 G CA 0.186 45.390 45.100 0.173 0.000 0.632 523 G HN 0.362 nan 8.290 nan 0.000 0.533 524 L N -0.127 121.071 121.223 -0.043 0.000 2.127 524 L HA 0.215 4.556 4.340 0.001 0.000 0.211 524 L C 1.559 178.280 176.870 -0.248 0.000 1.089 524 L CA 1.577 56.339 54.840 -0.131 0.000 0.757 524 L CB -0.181 41.784 42.059 -0.157 0.000 0.899 524 L HN 0.441 nan 8.230 nan 0.000 0.434 525 L N -1.562 119.406 121.223 -0.425 0.000 2.313 525 L HA 0.502 4.842 4.340 0.001 0.000 0.283 525 L C 0.011 176.623 176.870 -0.430 0.000 1.013 525 L CA -0.095 54.306 54.840 -0.730 0.000 0.816 525 L CB 1.558 42.559 42.059 -1.764 0.000 1.236 525 L HN -0.111 nan 8.230 nan 0.000 0.419 541 G N 0.974 109.799 108.800 0.043 0.000 3.933 541 G HA2 -0.163 3.798 3.960 0.001 0.000 0.298 541 G HA3 -0.163 3.798 3.960 0.001 0.000 0.298 541 G C 0.567 175.535 174.900 0.114 0.000 0.858 541 G CA 1.530 46.685 45.100 0.092 0.000 0.716 541 G HN 1.419 nan 8.290 nan 0.000 1.428 542 F N 1.081 121.021 119.950 -0.016 0.000 2.399 542 F HA 0.390 4.918 4.527 0.001 0.000 0.342 542 F C 0.598 176.308 175.800 -0.150 0.000 1.106 542 F CA -0.422 57.547 58.000 -0.051 0.000 1.196 542 F CB 1.203 40.140 39.000 -0.104 0.000 1.163 542 F HN 0.215 nan 8.300 nan 0.000 0.547 543 D N 6.992 126.796 120.400 -0.995 0.000 3.085 543 D HA -0.023 4.618 4.640 0.001 0.000 0.243 543 D C 1.268 177.122 176.300 -0.744 0.000 1.232 543 D CA -0.037 53.515 54.000 -0.746 0.000 0.913 543 D CB -0.250 40.230 40.800 -0.533 0.000 1.108 543 D HN 0.673 nan 8.370 nan 0.000 0.468 544 W N 0.418 121.345 121.300 -0.621 0.000 2.374 544 W HA -0.152 4.509 4.660 0.002 0.000 0.288 544 W C 1.341 177.757 176.519 -0.170 0.000 1.218 544 W CA 0.197 57.347 57.345 -0.325 0.000 1.245 544 W CB -0.571 28.726 29.460 -0.272 0.000 1.126 544 W HN 0.048 nan 8.180 nan 0.000 0.545 545 K N 1.148 120.959 120.400 -0.982 0.000 2.063 545 K HA -0.172 4.148 4.320 0.001 0.000 0.208 545 K C 1.946 178.336 176.600 -0.349 0.000 1.048 545 K CA 1.955 57.710 56.287 -0.887 0.000 0.928 545 K CB -0.383 31.515 32.500 -1.002 0.000 0.713 545 K HN -0.023 nan 8.250 nan 0.000 0.442 546 N N 0.094 118.609 118.700 -0.308 0.000 2.290 546 N HA -0.058 4.683 4.740 0.001 0.000 0.179 546 N C 1.560 177.030 175.510 -0.065 0.000 1.016 546 N CA 0.776 53.722 53.050 -0.173 0.000 0.871 546 N CB 0.022 38.392 38.487 -0.195 0.000 0.987 546 N HN 0.111 nan 8.380 nan 0.000 0.431 547 I N 1.761 122.294 120.570 -0.061 0.000 2.163 547 I HA -0.223 3.948 4.170 0.001 0.000 0.243 547 I C 2.289 178.503 176.117 0.161 0.000 1.085 547 I CA 0.815 62.147 61.300 0.053 0.000 1.347 547 I CB -0.972 37.077 38.000 0.082 0.000 1.044 547 I HN 0.181 nan 8.210 nan 0.000 0.408 548 L N 0.090 121.435 121.223 0.203 0.000 2.131 548 L HA -0.160 4.181 4.340 0.001 0.000 0.210 548 L C 2.240 179.342 176.870 0.386 0.000 1.092 548 L CA 1.557 56.604 54.840 0.345 0.000 0.759 548 L CB -0.421 41.870 42.059 0.386 0.000 0.903 548 L HN 0.227 nan 8.230 nan 0.000 0.435 549 L N -0.742 120.593 121.223 0.188 0.000 2.354 549 L HA -0.053 4.288 4.340 0.001 0.000 0.212 549 L C 1.977 178.929 176.870 0.137 0.000 1.091 549 L CA 0.924 55.847 54.840 0.138 0.000 0.828 549 L CB -0.586 41.469 42.059 -0.006 0.000 0.973 549 L HN 0.378 nan 8.230 nan 0.000 0.461 550 N N -1.276 117.494 118.700 0.116 0.000 2.270 550 N HA -0.228 4.513 4.740 0.001 0.000 0.181 550 N C 1.699 177.294 175.510 0.141 0.000 1.016 550 N CA 0.817 53.923 53.050 0.094 0.000 0.870 550 N CB 0.067 38.592 38.487 0.063 0.000 0.979 550 N HN 0.232 nan 8.380 nan 0.000 0.431 551 Y N 0.755 121.105 120.300 0.082 0.000 2.220 551 Y HA -0.066 4.485 4.550 0.001 0.000 0.291 551 Y C 1.662 177.570 175.900 0.014 0.000 1.129 551 Y CA 1.212 59.336 58.100 0.040 0.000 1.161 551 Y CB -0.361 38.117 38.460 0.029 0.000 0.997 551 Y HN -0.076 nan 8.280 nan 0.000 0.522 552 F N 0.045 120.003 119.950 0.014 0.000 2.451 552 F HA -0.166 4.361 4.527 0.001 0.000 0.299 552 F C 2.219 177.963 175.800 -0.093 0.000 1.101 552 F CA 1.770 59.734 58.000 -0.059 0.000 1.436 552 F CB -0.345 38.688 39.000 0.054 0.000 1.074 552 F HN 0.017 nan 8.300 nan 0.000 0.553 553 T N -1.319 113.278 114.554 0.071 0.000 2.937 553 T HA -0.037 4.313 4.350 0.001 0.000 0.260 553 T C 1.727 176.402 174.700 -0.041 0.000 1.051 553 T CA 1.010 63.126 62.100 0.026 0.000 1.141 553 T CB -0.285 68.600 68.868 0.028 0.000 0.879 553 T HN -0.011 nan 8.240 nan 0.000 0.459 554 V N 1.672 121.521 119.914 -0.109 0.000 3.602 554 V HA 0.151 4.271 4.120 0.001 0.000 0.289 554 V C 1.212 177.188 176.094 -0.197 0.000 1.265 554 V CA 0.478 62.701 62.300 -0.129 0.000 1.202 554 V CB -1.149 30.608 31.823 -0.110 0.000 1.012 554 V HN 0.415 nan 8.190 nan 0.000 0.431 555 I N -0.190 120.255 120.570 -0.208 0.000 3.669 555 I HA 0.606 4.776 4.170 0.001 0.000 0.255 555 I C 0.924 176.992 176.117 -0.081 0.000 1.144 555 I CA 1.135 62.320 61.300 -0.191 0.000 1.447 555 I CB 0.076 37.879 38.000 -0.329 0.000 1.622 555 I HN 0.399 nan 8.210 nan 0.000 0.435 556 G N 1.659 110.441 108.800 -0.031 0.000 2.312 556 G HA2 0.323 4.284 3.960 0.001 0.000 0.347 556 G HA3 0.323 4.284 3.960 0.001 0.000 0.347 556 G C -0.920 174.036 174.900 0.094 0.000 1.564 556 G CA -0.582 44.536 45.100 0.030 0.000 0.981 556 G HN 0.103 nan 8.290 nan 0.000 0.678 557 I N 1.770 122.399 120.570 0.098 0.000 2.317 557 I HA 0.317 4.488 4.170 0.001 0.000 0.307 557 I C 1.056 177.230 176.117 0.095 0.000 1.528 557 I CA 0.511 61.884 61.300 0.122 0.000 0.688 557 I CB -0.065 38.041 38.000 0.177 0.000 2.200 557 I HN 2.239 nan 8.210 nan 0.000 0.698 558 G N 1.506 110.353 108.800 0.079 0.000 2.509 558 G HA2 -0.277 3.684 3.960 0.001 0.000 0.256 558 G HA3 -0.277 3.684 3.960 0.001 0.000 0.256 558 G C 0.864 175.804 174.900 0.066 0.000 1.152 558 G CA 0.197 45.337 45.100 0.068 0.000 0.951 558 G HN 0.596 nan 8.290 nan 0.000 0.559 559 G N -0.124 108.710 108.800 0.057 0.000 2.498 559 G HA2 0.106 4.067 3.960 0.001 0.000 0.219 559 G HA3 0.106 4.067 3.960 0.001 0.000 0.219 559 G C 1.742 176.681 174.900 0.066 0.000 1.119 559 G CA 1.417 46.547 45.100 0.050 0.000 0.766 559 G HN 0.623 nan 8.290 nan 0.000 0.552 560 I N 0.230 120.855 120.570 0.092 0.000 2.127 560 I HA -0.117 4.054 4.170 0.001 0.000 0.241 560 I C 2.401 178.580 176.117 0.103 0.000 1.075 560 I CA 1.298 62.667 61.300 0.115 0.000 1.334 560 I CB -0.277 37.811 38.000 0.146 0.000 1.040 560 I HN 0.114 nan 8.210 nan 0.000 0.405 561 I N -0.039 120.589 120.570 0.096 0.000 3.325 561 I HA -0.107 4.064 4.170 0.001 0.000 0.237 561 I C 2.423 178.592 176.117 0.087 0.000 1.068 561 I CA 1.112 62.472 61.300 0.099 0.000 1.511 561 I CB -0.980 37.083 38.000 0.105 0.000 1.409 561 I HN 0.108 nan 8.210 nan 0.000 0.464 562 T N 1.882 116.484 114.554 0.079 0.000 2.788 562 T HA -0.073 4.278 4.350 0.001 0.000 0.268 562 T C 1.917 176.647 174.700 0.050 0.000 1.044 562 T CA 1.334 63.476 62.100 0.070 0.000 1.139 562 T CB -0.345 68.563 68.868 0.067 0.000 0.867 562 T HN 0.415 nan 8.240 nan 0.000 0.454 563 A N 1.403 124.249 122.820 0.042 0.000 1.851 563 A HA -0.077 4.244 4.320 0.001 0.000 0.216 563 A C 2.601 180.188 177.584 0.004 0.000 1.195 563 A CA 1.660 53.711 52.037 0.023 0.000 0.622 563 A CB -1.234 17.779 19.000 0.022 0.000 0.831 563 A HN 0.317 nan 8.150 nan 0.000 0.444 564 V N -0.002 119.919 119.914 0.013 0.000 2.250 564 V HA -0.310 3.811 4.120 0.001 0.000 0.250 564 V C 2.749 178.823 176.094 -0.034 0.000 1.060 564 V CA 2.678 64.974 62.300 -0.006 0.000 1.030 564 V CB -1.529 30.315 31.823 0.034 0.000 0.643 564 V HN 0.642 nan 8.190 nan 0.000 0.445 565 T N 0.279 114.827 114.554 -0.010 0.000 2.737 565 T HA -0.164 4.186 4.350 0.001 0.000 0.269 565 T C 1.865 176.526 174.700 -0.066 0.000 1.040 565 T CA 1.569 63.638 62.100 -0.051 0.000 1.142 565 T CB -0.711 68.192 68.868 0.058 0.000 0.861 565 T HN 0.666 nan 8.240 nan 0.000 0.456 566 G N 1.898 110.686 108.800 -0.019 0.000 2.432 566 G HA2 -0.167 3.794 3.960 0.001 0.000 0.219 566 G HA3 -0.167 3.794 3.960 0.001 0.000 0.219 566 G C 1.552 176.436 174.900 -0.026 0.000 1.135 566 G CA 0.830 45.927 45.100 -0.005 0.000 0.767 566 G HN 0.694 nan 8.290 nan 0.000 0.550 567 I N -1.409 119.124 120.570 -0.062 0.000 2.700 567 I HA 0.018 4.189 4.170 0.001 0.000 0.261 567 I C 2.055 178.154 176.117 -0.030 0.000 1.219 567 I CA 1.038 62.288 61.300 -0.084 0.000 1.463 567 I CB -0.017 37.860 38.000 -0.205 0.000 1.092 567 I HN 0.133 nan 8.210 nan 0.000 0.452 568 L N -0.393 120.787 121.223 -0.071 0.000 2.253 568 L HA 0.034 4.375 4.340 0.001 0.000 0.205 568 L C 2.368 179.207 176.870 -0.053 0.000 1.078 568 L CA 0.271 55.039 54.840 -0.121 0.000 0.805 568 L CB -0.440 41.366 42.059 -0.423 0.000 0.963 568 L HN 0.232 nan 8.230 nan 0.000 0.459 569 L N 0.490 121.711 121.223 -0.002 0.000 2.042 569 L HA -0.110 4.231 4.340 0.001 0.000 0.210 569 L C 2.551 179.526 176.870 0.174 0.000 1.076 569 L CA 2.054 56.964 54.840 0.117 0.000 0.749 569 L CB -1.299 40.835 42.059 0.125 0.000 0.893 569 L HN 0.212 nan 8.230 nan 0.000 0.432 570 G N -0.029 108.851 108.800 0.133 0.000 2.639 570 G HA2 -0.255 3.706 3.960 0.001 0.000 0.216 570 G HA3 -0.255 3.706 3.960 0.001 0.000 0.216 570 G C -0.619 174.402 174.900 0.201 0.000 1.267 570 G CA 1.027 46.247 45.100 0.201 0.000 0.801 570 G HN 0.298 nan 8.290 nan 0.000 0.592 571 P HA -0.061 nan 4.420 nan 0.000 0.219 571 P C 1.723 179.064 177.300 0.069 0.000 1.144 571 P CA 0.842 63.806 63.100 -0.225 0.000 0.806 571 P CB -0.045 31.525 31.700 -0.216 0.000 0.771 572 I N -1.422 119.234 120.570 0.144 0.000 2.333 572 I HA -0.082 4.089 4.170 0.001 0.000 0.246 572 I C 2.528 178.817 176.117 0.287 0.000 1.106 572 I CA 1.345 62.764 61.300 0.199 0.000 1.411 572 I CB -1.122 37.018 38.000 0.232 0.000 1.082 572 I HN -0.014 nan 8.210 nan 0.000 0.420 573 G N 1.145 110.182 108.800 0.394 0.000 2.491 573 G HA2 -0.283 3.678 3.960 0.001 0.000 0.218 573 G HA3 -0.283 3.678 3.960 0.001 0.000 0.218 573 G C 1.463 176.606 174.900 0.406 0.000 1.180 573 G CA 0.767 46.154 45.100 0.479 0.000 0.774 573 G HN 0.153 nan 8.290 nan 0.000 0.562 574 F N 1.827 121.866 119.950 0.150 0.000 2.027 574 F HA -0.146 4.382 4.527 0.001 0.000 0.297 574 F C 3.145 178.988 175.800 0.071 0.000 1.129 574 F CA 1.329 59.391 58.000 0.103 0.000 1.195 574 F CB -1.013 38.032 39.000 0.074 0.000 0.960 574 F HN 0.257 nan 8.300 nan 0.000 0.485 575 A N -0.150 122.832 122.820 0.270 0.000 1.972 575 A HA -0.141 4.180 4.320 0.001 0.000 0.219 575 A C 2.256 179.872 177.584 0.055 0.000 1.169 575 A CA 1.440 53.555 52.037 0.131 0.000 0.635 575 A CB -1.139 17.914 19.000 0.089 0.000 0.810 575 A HN 0.440 nan 8.150 nan 0.000 0.446 576 L N -0.585 120.648 121.223 0.017 0.000 2.275 576 L HA -0.104 4.236 4.340 0.001 0.000 0.215 576 L C 1.992 178.761 176.870 -0.169 0.000 1.119 576 L CA 0.225 54.969 54.840 -0.159 0.000 0.790 576 L CB -0.313 41.505 42.059 -0.402 0.000 0.919 576 L HN 0.299 nan 8.230 nan 0.000 0.443 577 L N -0.492 120.721 121.223 -0.017 0.000 2.240 577 L HA 0.024 4.365 4.340 0.001 0.000 0.211 577 L C 2.574 179.466 176.870 0.036 0.000 1.106 577 L CA 1.502 56.365 54.840 0.037 0.000 0.793 577 L CB -1.775 40.334 42.059 0.083 0.000 0.927 577 L HN 0.190 nan 8.230 nan 0.000 0.446 578 G N 0.099 108.921 108.800 0.037 0.000 2.408 578 G HA2 -0.142 3.818 3.960 0.001 0.000 0.217 578 G HA3 -0.142 3.818 3.960 0.001 0.000 0.217 578 G C 1.244 176.158 174.900 0.023 0.000 1.150 578 G CA 0.379 45.503 45.100 0.039 0.000 0.776 578 G HN 0.326 nan 8.290 nan 0.000 0.542 579 L N -0.253 120.972 121.223 0.004 0.000 2.628 579 L HA 0.365 4.706 4.340 0.001 0.000 0.229 579 L C 1.342 178.214 176.870 0.004 0.000 1.137 579 L CA 0.480 55.319 54.840 -0.000 0.000 0.909 579 L CB -1.522 40.530 42.059 -0.012 0.000 1.137 579 L HN 0.335 nan 8.230 nan 0.000 0.470 580 G N 1.889 110.698 108.800 0.016 0.000 2.298 580 G HA2 -0.219 3.742 3.960 0.001 0.000 0.287 580 G HA3 -0.219 3.742 3.960 0.001 0.000 0.287 580 G C 0.295 175.227 174.900 0.053 0.000 1.075 580 G CA 0.360 45.505 45.100 0.075 0.000 0.960 580 G HN 0.500 nan 8.290 nan 0.000 0.502 581 V N -2.413 117.448 119.914 -0.089 0.000 3.376 581 V HA 0.815 4.936 4.120 0.001 0.000 0.303 581 V C 1.776 177.784 176.094 -0.143 0.000 1.100 581 V CA 1.049 63.240 62.300 -0.181 0.000 1.126 581 V CB 1.385 32.955 31.823 -0.423 0.000 1.085 581 V HN 2.325 nan 8.190 nan 0.000 0.480 582 G N 1.500 110.199 108.800 -0.168 0.000 2.383 582 G HA2 -0.288 3.673 3.960 0.001 0.000 0.229 582 G HA3 -0.288 3.673 3.960 0.001 0.000 0.229 582 G C 0.291 174.937 174.900 -0.424 0.000 1.089 582 G CA 0.692 45.658 45.100 -0.222 0.000 0.640 582 G HN 0.983 nan 8.290 nan 0.000 0.510 583 F N 1.551 121.504 119.950 0.006 0.000 2.664 583 F HA 0.560 5.088 4.527 0.001 0.000 0.303 583 F C 1.108 176.846 175.800 -0.103 0.000 1.092 583 F CA -0.247 57.737 58.000 -0.028 0.000 1.305 583 F CB 0.440 39.469 39.000 0.048 0.000 1.054 583 F HN 0.035 nan 8.300 nan 0.000 0.565 584 L N 0.450 121.666 121.223 -0.012 0.000 2.334 584 L HA 0.378 4.719 4.340 0.001 0.000 0.275 584 L C 0.029 176.829 176.870 -0.118 0.000 1.036 584 L CA -0.790 54.019 54.840 -0.053 0.000 0.807 584 L CB 1.425 43.450 42.059 -0.057 0.000 1.231 584 L HN 0.034 nan 8.230 nan 0.000 0.438 585 Q N 0.385 120.125 119.800 -0.100 0.000 2.249 585 Q HA 0.310 4.651 4.340 0.001 0.000 0.226 585 Q C 1.008 176.959 176.000 -0.082 0.000 0.983 585 Q CA -0.017 55.720 55.803 -0.110 0.000 0.930 585 Q CB 1.257 29.944 28.738 -0.086 0.000 1.193 585 Q HN 0.787 nan 8.270 nan 0.000 0.508 586 A N 1.301 124.079 122.820 -0.070 0.000 1.927 586 A HA -0.325 3.995 4.320 0.001 0.000 0.220 586 A C 1.548 179.114 177.584 -0.031 0.000 1.185 586 A CA 2.610 54.620 52.037 -0.045 0.000 0.639 586 A CB -1.033 17.949 19.000 -0.030 0.000 0.820 586 A HN 0.984 nan 8.150 nan 0.000 0.451 587 D N -1.010 119.372 120.400 -0.030 0.000 2.117 587 D HA -0.203 4.437 4.640 0.001 0.000 0.198 587 D C 1.921 178.209 176.300 -0.020 0.000 0.982 587 D CA 1.372 55.360 54.000 -0.020 0.000 0.828 587 D CB -0.539 40.250 40.800 -0.019 0.000 0.967 587 D HN 0.640 nan 8.370 nan 0.000 0.464 588 Q N 0.402 120.185 119.800 -0.028 0.000 2.119 588 Q HA -0.059 4.282 4.340 0.001 0.000 0.201 588 Q C 2.449 178.430 176.000 -0.032 0.000 0.972 588 Q CA 1.396 57.182 55.803 -0.027 0.000 0.847 588 Q CB -0.267 28.452 28.738 -0.031 0.000 0.903 588 Q HN 0.472 nan 8.270 nan 0.000 0.433 589 A N 1.530 124.321 122.820 -0.048 0.000 1.898 589 A HA -0.191 4.130 4.320 0.001 0.000 0.216 589 A C 2.094 179.666 177.584 -0.020 0.000 1.181 589 A CA 1.372 53.371 52.037 -0.064 0.000 0.620 589 A CB -0.475 18.464 19.000 -0.102 0.000 0.819 589 A HN 0.240 nan 8.150 nan 0.000 0.442 590 R N -0.533 119.967 120.500 0.000 0.000 2.080 590 R HA -0.155 4.186 4.340 0.001 0.000 0.236 590 R C 2.434 178.758 176.300 0.040 0.000 1.137 590 R CA 1.828 57.946 56.100 0.031 0.000 0.943 590 R CB -0.344 29.966 30.300 0.017 0.000 0.846 590 R HN 0.488 nan 8.270 nan 0.000 0.431 591 R N -0.045 120.468 120.500 0.021 0.000 2.096 591 R HA -0.192 4.149 4.340 0.001 0.000 0.240 591 R C 1.990 178.308 176.300 0.031 0.000 1.139 591 R CA 2.134 58.248 56.100 0.023 0.000 0.952 591 R CB -0.116 30.189 30.300 0.009 0.000 0.854 591 R HN 0.208 nan 8.270 nan 0.000 0.436 592 E N 0.105 120.315 120.200 0.017 0.000 2.208 592 E HA -0.098 4.252 4.350 0.001 0.000 0.193 592 E C 1.649 178.273 176.600 0.039 0.000 0.988 592 E CA 0.354 56.762 56.400 0.014 0.000 0.828 592 E CB -0.105 29.585 29.700 -0.016 0.000 0.763 592 E HN 0.173 nan 8.360 nan 0.000 0.478 593 L N 0.381 121.644 121.223 0.067 0.000 1.976 593 L HA -0.149 4.192 4.340 0.001 0.000 0.209 593 L C 2.057 179.028 176.870 0.169 0.000 1.071 593 L CA 1.594 56.517 54.840 0.137 0.000 0.746 593 L CB -0.955 41.223 42.059 0.198 0.000 0.890 593 L HN 0.082 nan 8.230 nan 0.000 0.432 594 V N 0.163 120.185 119.914 0.179 0.000 2.231 594 V HA -0.353 3.767 4.120 0.001 0.000 0.248 594 V C 2.568 178.757 176.094 0.158 0.000 1.054 594 V CA 2.305 64.738 62.300 0.221 0.000 1.015 594 V CB -1.142 30.792 31.823 0.185 0.000 0.638 594 V HN 0.396 nan 8.190 nan 0.000 0.444 595 K N 0.393 120.848 120.400 0.092 0.000 2.063 595 K HA -0.144 4.177 4.320 0.001 0.000 0.208 595 K C 2.269 178.868 176.600 -0.001 0.000 1.048 595 K CA 2.004 58.314 56.287 0.038 0.000 0.928 595 K CB -0.600 31.915 32.500 0.024 0.000 0.713 595 K HN 0.579 nan 8.250 nan 0.000 0.442 596 T N 0.875 115.443 114.554 0.023 0.000 2.867 596 T HA -0.101 4.249 4.350 0.001 0.000 0.268 596 T C 1.994 176.694 174.700 -0.000 0.000 1.057 596 T CA 1.202 63.309 62.100 0.012 0.000 1.136 596 T CB -0.194 68.701 68.868 0.046 0.000 0.874 596 T HN 0.313 nan 8.240 nan 0.000 0.466 597 A N 1.683 124.524 122.820 0.036 0.000 1.873 597 A HA -0.048 4.272 4.320 0.001 0.000 0.215 597 A C 2.279 179.684 177.584 -0.299 0.000 1.186 597 A CA 1.464 53.511 52.037 0.017 0.000 0.616 597 A CB -0.470 18.501 19.000 -0.049 0.000 0.823 597 A HN 0.382 nan 8.150 nan 0.000 0.442 598 K N -0.355 119.794 120.400 -0.418 0.000 1.991 598 K HA -0.229 4.091 4.320 0.001 0.000 0.212 598 K C 2.200 178.536 176.600 -0.441 0.000 1.049 598 K CA 1.955 57.797 56.287 -0.742 0.000 0.932 598 K CB -0.197 32.089 32.500 -0.356 0.000 0.717 598 K HN 0.268 nan 8.250 nan 0.000 0.441 599 K N 1.095 121.346 120.400 -0.248 0.000 2.127 599 K HA -0.229 4.092 4.320 0.001 0.000 0.208 599 K C 1.908 178.367 176.600 -0.235 0.000 1.047 599 K CA 1.958 58.129 56.287 -0.193 0.000 0.927 599 K CB -0.137 32.292 32.500 -0.119 0.000 0.716 599 K HN 0.088 nan 8.250 nan 0.000 0.450 600 E N -0.032 120.021 120.200 -0.245 0.000 2.076 600 E HA -0.051 4.300 4.350 0.001 0.000 0.190 600 E C 1.798 178.160 176.600 -0.397 0.000 0.979 600 E CA 0.733 56.955 56.400 -0.297 0.000 0.807 600 E CB -0.276 29.301 29.700 -0.205 0.000 0.761 600 E HN 0.274 nan 8.360 nan 0.000 0.454 601 L N 0.274 121.279 121.223 -0.362 0.000 2.083 601 L HA -0.114 4.226 4.340 0.001 0.000 0.209 601 L C 1.860 178.567 176.870 -0.271 0.000 1.083 601 L CA 1.337 55.987 54.840 -0.316 0.000 0.752 601 L CB -0.343 41.496 42.059 -0.365 0.000 0.899 601 L HN 0.108 nan 8.230 nan 0.000 0.433 602 V N -0.483 119.251 119.914 -0.300 0.000 2.970 602 V HA -0.206 3.915 4.120 0.001 0.000 0.260 602 V C 2.373 178.350 176.094 -0.196 0.000 1.100 602 V CA 1.158 63.329 62.300 -0.214 0.000 1.122 602 V CB -0.619 31.085 31.823 -0.198 0.000 0.721 602 V HN 0.406 nan 8.190 nan 0.000 0.483 603 K N -0.430 119.794 120.400 -0.294 0.000 2.365 603 K HA -0.078 4.243 4.320 0.001 0.000 0.199 603 K C 1.547 178.000 176.600 -0.245 0.000 1.045 603 K CA 1.060 57.158 56.287 -0.314 0.000 0.962 603 K CB -0.015 32.220 32.500 -0.441 0.000 0.759 603 K HN 0.670 nan 8.250 nan 0.000 0.469 604 H N -1.106 117.910 119.070 -0.090 0.000 2.755 604 H HA 0.147 4.704 4.556 0.001 0.000 0.273 604 H C 1.510 176.809 175.328 -0.048 0.000 1.055 604 H CA -0.374 55.634 56.048 -0.067 0.000 1.191 604 H CB 0.588 30.304 29.762 -0.077 0.000 1.536 604 H HN -0.001 nan 8.280 nan 0.000 0.529 605 L N 1.860 123.099 121.223 0.027 0.000 2.042 605 L HA -0.107 4.233 4.340 0.001 0.000 0.210 605 L C -0.351 176.527 176.870 0.013 0.000 1.076 605 L CA 1.162 56.002 54.840 0.001 0.000 0.749 605 L CB -1.207 40.826 42.059 -0.044 0.000 0.893 605 L HN 0.306 nan 8.230 nan 0.000 0.432 606 P HA -0.220 nan 4.420 nan 0.000 0.217 606 P C 1.456 178.796 177.300 0.067 0.000 1.150 606 P CA 1.388 64.504 63.100 0.026 0.000 0.832 606 P CB -0.063 31.639 31.700 0.003 0.000 0.787 607 Q N -0.044 119.799 119.800 0.072 0.000 2.230 607 Q HA -0.055 4.286 4.340 0.001 0.000 0.202 607 Q C 2.021 178.092 176.000 0.118 0.000 0.963 607 Q CA 0.966 56.827 55.803 0.096 0.000 0.866 607 Q CB -0.130 28.643 28.738 0.059 0.000 0.931 607 Q HN 0.035 nan 8.270 nan 0.000 0.452 608 V N 0.628 120.599 119.914 0.095 0.000 2.379 608 V HA -0.165 3.956 4.120 0.001 0.000 0.245 608 V C 2.248 178.434 176.094 0.153 0.000 1.044 608 V CA 1.644 64.007 62.300 0.105 0.000 1.036 608 V CB -0.627 31.244 31.823 0.079 0.000 0.664 608 V HN 0.429 nan 8.190 nan 0.000 0.453 609 A N -0.980 121.908 122.820 0.114 0.000 2.066 609 A HA -0.211 4.109 4.320 0.001 0.000 0.218 609 A C 1.996 179.702 177.584 0.204 0.000 1.157 609 A CA 1.880 53.997 52.037 0.133 0.000 0.670 609 A CB -0.611 18.405 19.000 0.027 0.000 0.804 609 A HN 0.757 nan 8.150 nan 0.000 0.453 610 H N -0.197 118.923 119.070 0.083 0.000 2.287 610 H HA 0.057 4.613 4.556 0.001 0.000 0.309 610 H C 1.921 177.290 175.328 0.068 0.000 1.059 610 H CA 1.892 57.978 56.048 0.064 0.000 1.357 610 H CB -0.199 29.583 29.762 0.034 0.000 1.409 610 H HN 0.481 nan 8.280 nan 0.000 0.515 611 E N -0.118 120.061 120.200 -0.035 0.000 2.038 611 E HA -0.190 4.160 4.350 0.001 0.000 0.195 611 E C 2.222 178.788 176.600 -0.056 0.000 1.000 611 E CA 1.337 57.672 56.400 -0.107 0.000 0.803 611 E CB 0.079 29.784 29.700 0.007 0.000 0.750 611 E HN 0.498 nan 8.360 nan 0.000 0.448 612 Q N -0.015 119.820 119.800 0.059 0.000 2.369 612 Q HA -0.040 4.300 4.340 0.001 0.000 0.206 612 Q C 2.156 178.099 176.000 -0.094 0.000 0.963 612 Q CA 0.604 56.438 55.803 0.051 0.000 0.894 612 Q CB 0.054 28.923 28.738 0.218 0.000 0.965 612 Q HN 0.114 nan 8.270 nan 0.000 0.475 613 S N 0.830 116.558 115.700 0.047 0.000 2.368 613 S HA -0.204 4.266 4.470 0.001 0.000 0.224 613 S C 1.888 176.477 174.600 -0.019 0.000 1.029 613 S CA 1.444 59.658 58.200 0.024 0.000 0.988 613 S CB 0.106 63.435 63.200 0.214 0.000 0.838 613 S HN 0.279 nan 8.310 nan 0.000 0.462 614 Q N 0.652 120.425 119.800 -0.044 0.000 2.291 614 Q HA 0.020 4.360 4.340 0.001 0.000 0.205 614 Q C 1.727 177.735 176.000 0.013 0.000 0.970 614 Q CA 1.385 57.163 55.803 -0.040 0.000 0.876 614 Q CB -0.313 28.341 28.738 -0.139 0.000 0.935 614 Q HN 0.483 nan 8.270 nan 0.000 0.455 615 V N -1.081 118.810 119.914 -0.038 0.000 2.323 615 V HA -0.187 3.934 4.120 0.001 0.000 0.244 615 V C 2.152 178.237 176.094 -0.015 0.000 1.041 615 V CA 1.376 63.651 62.300 -0.041 0.000 1.025 615 V CB -0.635 31.130 31.823 -0.097 0.000 0.656 615 V HN 0.217 nan 8.190 nan 0.000 0.451 616 V N -0.675 119.199 119.914 -0.066 0.000 2.282 616 V HA -0.355 3.765 4.120 0.001 0.000 0.249 616 V C 2.217 178.382 176.094 0.119 0.000 1.057 616 V CA 2.720 65.037 62.300 0.028 0.000 1.032 616 V CB -0.731 30.982 31.823 -0.184 0.000 0.645 616 V HN 0.656 nan 8.190 nan 0.000 0.447 617 Y N 1.564 121.864 120.300 0.001 0.000 2.030 617 Y HA -0.394 4.156 4.550 0.001 0.000 0.272 617 Y C 2.398 178.300 175.900 0.004 0.000 1.185 617 Y CA 2.650 60.762 58.100 0.020 0.000 1.120 617 Y CB -0.556 37.905 38.460 0.002 0.000 0.955 617 Y HN 0.389 nan 8.280 nan 0.000 0.495 618 N N -0.239 118.604 118.700 0.239 0.000 2.223 618 N HA -0.186 4.554 4.740 0.001 0.000 0.185 618 N C 1.897 177.290 175.510 -0.194 0.000 1.016 618 N CA 0.753 53.853 53.050 0.083 0.000 0.863 618 N CB -0.318 38.253 38.487 0.140 0.000 0.983 618 N HN 0.507 nan 8.380 nan 0.000 0.429 619 A N 0.709 123.474 122.820 -0.092 0.000 1.858 619 A HA -0.095 4.225 4.320 0.001 0.000 0.216 619 A C 2.345 179.901 177.584 -0.047 0.000 1.190 619 A CA 1.217 53.185 52.037 -0.116 0.000 0.617 619 A CB -0.863 18.270 19.000 0.223 0.000 0.827 619 A HN 0.098 nan 8.150 nan 0.000 0.443 620 V N 0.429 120.356 119.914 0.022 0.000 2.490 620 V HA -0.262 3.859 4.120 0.001 0.000 0.250 620 V C 2.502 178.614 176.094 0.031 0.000 1.061 620 V CA 2.343 64.668 62.300 0.040 0.000 1.064 620 V CB -0.707 31.125 31.823 0.015 0.000 0.670 620 V HN 0.639 nan 8.190 nan 0.000 0.461 621 K N -0.115 120.215 120.400 -0.116 0.000 2.025 621 K HA -0.187 4.134 4.320 0.001 0.000 0.207 621 K C 2.287 178.869 176.600 -0.030 0.000 1.049 621 K CA 1.309 57.539 56.287 -0.096 0.000 0.933 621 K CB -0.139 32.273 32.500 -0.146 0.000 0.714 621 K HN 0.278 nan 8.250 nan 0.000 0.438 622 E N 0.764 120.873 120.200 -0.152 0.000 2.204 622 E HA -0.178 4.172 4.350 0.001 0.000 0.195 622 E C 1.956 178.553 176.600 -0.005 0.000 0.990 622 E CA 0.517 56.821 56.400 -0.161 0.000 0.821 622 E CB -0.356 29.057 29.700 -0.478 0.000 0.750 622 E HN 0.353 nan 8.360 nan 0.000 0.477 623 C N -0.480 118.840 119.300 0.033 0.000 2.455 623 C HA -0.157 4.303 4.460 0.001 0.000 0.281 623 C C 2.466 177.542 174.990 0.144 0.000 1.237 623 C CA 0.776 59.856 59.018 0.102 0.000 1.726 623 C CB -1.322 26.415 27.740 -0.005 0.000 2.068 623 C HN 0.396 nan 8.230 nan 0.000 0.466 624 F N 0.743 120.774 119.950 0.134 0.000 2.325 624 F HA -0.048 4.480 4.527 0.001 0.000 0.299 624 F C 2.182 178.038 175.800 0.093 0.000 1.090 624 F CA 1.355 59.401 58.000 0.077 0.000 1.392 624 F CB -0.541 38.367 39.000 -0.153 0.000 1.053 624 F HN 0.275 nan 8.300 nan 0.000 0.521 625 D N -0.627 119.901 120.400 0.212 0.000 2.117 625 D HA -0.163 4.477 4.640 0.001 0.000 0.198 625 D C 2.427 178.805 176.300 0.131 0.000 0.982 625 D CA 1.333 55.406 54.000 0.121 0.000 0.828 625 D CB -0.503 40.333 40.800 0.059 0.000 0.967 625 D HN 0.139 nan 8.370 nan 0.000 0.464 626 S N -0.735 115.073 115.700 0.180 0.000 2.370 626 S HA -0.224 4.247 4.470 0.001 0.000 0.226 626 S C 2.006 176.762 174.600 0.259 0.000 1.033 626 S CA 0.956 59.291 58.200 0.226 0.000 1.011 626 S CB -0.429 62.948 63.200 0.294 0.000 0.852 626 S HN 0.359 nan 8.310 nan 0.000 0.457 627 Y N 2.049 122.394 120.300 0.075 0.000 2.070 627 Y HA -0.136 4.415 4.550 0.001 0.000 0.280 627 Y C 2.657 178.483 175.900 -0.122 0.000 1.148 627 Y CA 2.347 60.300 58.100 -0.246 0.000 1.125 627 Y CB -0.453 37.846 38.460 -0.269 0.000 0.975 627 Y HN 0.269 nan 8.280 nan 0.000 0.492 628 E N 0.838 121.054 120.200 0.027 0.000 2.130 628 E HA -0.283 4.068 4.350 0.001 0.000 0.196 628 E C 2.311 178.836 176.600 -0.125 0.000 0.998 628 E CA 1.461 57.798 56.400 -0.106 0.000 0.806 628 E CB -0.285 29.396 29.700 -0.032 0.000 0.738 628 E HN 0.498 nan 8.360 nan 0.000 0.459 629 R N 0.259 120.727 120.500 -0.053 0.000 2.062 629 R HA -0.095 4.246 4.340 0.001 0.000 0.231 629 R C 2.520 178.776 176.300 -0.073 0.000 1.136 629 R CA 1.539 57.612 56.100 -0.046 0.000 0.948 629 R CB -0.193 30.108 30.300 0.002 0.000 0.845 629 R HN 0.192 nan 8.270 nan 0.000 0.430 630 E N -0.085 120.074 120.200 -0.068 0.000 2.077 630 E HA -0.165 4.186 4.350 0.001 0.000 0.193 630 E C 1.880 178.397 176.600 -0.138 0.000 0.989 630 E CA 1.460 57.811 56.400 -0.083 0.000 0.800 630 E CB 0.171 29.862 29.700 -0.015 0.000 0.746 630 E HN 0.155 nan 8.360 nan 0.000 0.452 631 V N 0.607 120.380 119.914 -0.234 0.000 2.307 631 V HA -0.237 3.884 4.120 0.001 0.000 0.245 631 V C 2.437 178.431 176.094 -0.166 0.000 1.045 631 V CA 1.830 64.003 62.300 -0.212 0.000 1.024 631 V CB -0.516 31.064 31.823 -0.405 0.000 0.651 631 V HN 0.219 nan 8.190 nan 0.000 0.449 632 S N -0.586 115.002 115.700 -0.187 0.000 2.365 632 S HA -0.289 4.181 4.470 0.001 0.000 0.225 632 S C 2.060 176.574 174.600 -0.143 0.000 1.039 632 S CA 1.937 60.035 58.200 -0.169 0.000 1.033 632 S CB -0.370 62.748 63.200 -0.138 0.000 0.887 632 S HN 0.536 nan 8.310 nan 0.000 0.447 633 K N 0.920 121.251 120.400 -0.114 0.000 2.063 633 K HA -0.107 4.214 4.320 0.001 0.000 0.208 633 K C 2.321 178.867 176.600 -0.091 0.000 1.048 633 K CA 1.201 57.433 56.287 -0.093 0.000 0.928 633 K CB -0.113 32.337 32.500 -0.084 0.000 0.713 633 K HN 0.236 nan 8.250 nan 0.000 0.442 634 R N 0.082 120.530 120.500 -0.087 0.000 2.115 634 R HA -0.000 4.340 4.340 0.001 0.000 0.226 634 R C 2.357 178.621 176.300 -0.060 0.000 1.100 634 R CA 1.105 57.185 56.100 -0.033 0.000 0.980 634 R CB -0.157 30.167 30.300 0.040 0.000 0.875 634 R HN 0.268 nan 8.270 nan 0.000 0.445 635 I N 0.814 121.238 120.570 -0.244 0.000 2.353 635 I HA -0.223 3.948 4.170 0.001 0.000 0.248 635 I C 1.977 177.952 176.117 -0.237 0.000 1.119 635 I CA 0.903 61.879 61.300 -0.539 0.000 1.417 635 I CB -0.309 37.178 38.000 -0.855 0.000 1.078 635 I HN 0.153 nan 8.210 nan 0.000 0.421 636 N N 0.856 119.465 118.700 -0.150 0.000 2.171 636 N HA -0.154 4.586 4.740 0.001 0.000 0.184 636 N C 1.403 176.893 175.510 -0.034 0.000 1.021 636 N CA 1.280 54.286 53.050 -0.074 0.000 0.854 636 N CB -0.161 38.284 38.487 -0.071 0.000 0.994 636 N HN 0.268 nan 8.380 nan 0.000 0.426 637 D N 0.881 121.259 120.400 -0.036 0.000 2.123 637 D HA -0.156 4.485 4.640 0.001 0.000 0.196 637 D C 1.466 177.778 176.300 0.020 0.000 0.992 637 D CA 1.051 55.044 54.000 -0.011 0.000 0.833 637 D CB -0.412 40.379 40.800 -0.014 0.000 0.954 637 D HN 0.331 nan 8.370 nan 0.000 0.455 638 D N -0.234 120.190 120.400 0.041 0.000 2.078 638 D HA -0.105 4.535 4.640 0.001 0.000 0.193 638 D C 2.191 178.570 176.300 0.131 0.000 0.990 638 D CA 0.962 55.020 54.000 0.096 0.000 0.827 638 D CB -0.082 40.825 40.800 0.177 0.000 0.975 638 D HN 0.094 nan 8.370 nan 0.000 0.451 639 I N -0.070 120.589 120.570 0.147 0.000 2.087 639 I HA -0.307 3.863 4.170 0.001 0.000 0.240 639 I C 2.478 178.670 176.117 0.124 0.000 1.054 639 I CA 0.852 62.264 61.300 0.186 0.000 1.311 639 I CB -0.456 37.630 38.000 0.144 0.000 1.024 639 I HN 0.055 nan 8.210 nan 0.000 0.402 640 V N 0.197 120.140 119.914 0.048 0.000 2.282 640 V HA -0.330 3.791 4.120 0.001 0.000 0.249 640 V C 2.584 178.684 176.094 0.010 0.000 1.057 640 V CA 2.288 64.589 62.300 0.002 0.000 1.032 640 V CB -0.590 31.225 31.823 -0.014 0.000 0.645 640 V HN 0.394 nan 8.190 nan 0.000 0.447 641 S N -0.384 115.334 115.700 0.030 0.000 2.368 641 S HA -0.274 4.197 4.470 0.001 0.000 0.226 641 S C 2.007 176.637 174.600 0.051 0.000 1.044 641 S CA 2.027 60.245 58.200 0.031 0.000 1.062 641 S CB -0.366 62.849 63.200 0.025 0.000 0.931 641 S HN 0.592 nan 8.310 nan 0.000 0.440 642 R N 0.948 121.511 120.500 0.106 0.000 2.193 642 R HA 0.001 4.341 4.340 0.001 0.000 0.229 642 R C 2.224 178.619 176.300 0.159 0.000 1.110 642 R CA 0.969 57.174 56.100 0.175 0.000 0.988 642 R CB -0.170 30.298 30.300 0.280 0.000 0.871 642 R HN 0.379 nan 8.270 nan 0.000 0.458 643 K N 0.217 120.626 120.400 0.015 0.000 2.076 643 K HA 0.035 4.356 4.320 0.001 0.000 0.204 643 K C 2.172 178.718 176.600 -0.089 0.000 1.051 643 K CA 1.275 57.452 56.287 -0.183 0.000 0.949 643 K CB 0.127 32.437 32.500 -0.317 0.000 0.726 643 K HN 0.026 nan 8.250 nan 0.000 0.443 644 S N 1.589 117.262 115.700 -0.044 0.000 2.382 644 S HA -0.192 4.279 4.470 0.001 0.000 0.228 644 S C 1.921 176.516 174.600 -0.008 0.000 1.027 644 S CA 1.305 59.488 58.200 -0.027 0.000 0.991 644 S CB -0.176 63.015 63.200 -0.015 0.000 0.823 644 S HN 0.399 nan 8.310 nan 0.000 0.469 645 E N 1.341 121.548 120.200 0.012 0.000 2.106 645 E HA -0.125 4.226 4.350 0.001 0.000 0.192 645 E C 1.907 178.522 176.600 0.025 0.000 0.984 645 E CA 0.807 57.222 56.400 0.024 0.000 0.806 645 E CB -0.154 29.571 29.700 0.042 0.000 0.750 645 E HN 0.472 nan 8.360 nan 0.000 0.458 646 L N 0.877 122.115 121.223 0.025 0.000 2.044 646 L HA -0.125 4.215 4.340 0.001 0.000 0.205 646 L C 2.439 179.309 176.870 0.000 0.000 1.075 646 L CA 1.150 56.003 54.840 0.023 0.000 0.747 646 L CB -0.466 41.613 42.059 0.033 0.000 0.903 646 L HN 0.140 nan 8.230 nan 0.000 0.435 647 D N 0.166 120.553 120.400 -0.022 0.000 2.123 647 D HA -0.179 4.461 4.640 0.001 0.000 0.196 647 D C 1.820 178.113 176.300 -0.012 0.000 0.992 647 D CA 1.101 55.085 54.000 -0.026 0.000 0.833 647 D CB -0.075 40.699 40.800 -0.042 0.000 0.954 647 D HN 0.322 nan 8.370 nan 0.000 0.455 648 N N 1.200 119.896 118.700 -0.007 0.000 2.061 648 N HA -0.157 4.584 4.740 0.001 0.000 0.193 648 N C 2.096 177.608 175.510 0.003 0.000 1.030 648 N CA 0.431 53.480 53.050 -0.001 0.000 0.856 648 N CB -0.644 37.845 38.487 0.003 0.000 1.023 648 N HN 0.282 nan 8.380 nan 0.000 0.424 649 L N 0.887 122.115 121.223 0.008 0.000 2.017 649 L HA -0.153 4.188 4.340 0.001 0.000 0.208 649 L C 2.139 179.015 176.870 0.009 0.000 1.073 649 L CA 1.013 55.860 54.840 0.012 0.000 0.745 649 L CB -0.259 41.811 42.059 0.019 0.000 0.894 649 L HN -0.034 nan 8.230 nan 0.000 0.432 650 V N 0.117 120.034 119.914 0.005 0.000 2.287 650 V HA -0.355 3.766 4.120 0.001 0.000 0.248 650 V C 2.445 178.539 176.094 0.000 0.000 1.053 650 V CA 2.032 64.333 62.300 0.002 0.000 1.027 650 V CB -0.543 31.277 31.823 -0.005 0.000 0.646 650 V HN 0.456 nan 8.190 nan 0.000 0.447 651 K N -0.505 119.894 120.400 -0.002 0.000 2.147 651 K HA -0.221 4.099 4.320 0.001 0.000 0.205 651 K C 2.310 178.911 176.600 0.001 0.000 1.049 651 K CA 1.322 57.608 56.287 -0.002 0.000 0.936 651 K CB -0.231 32.266 32.500 -0.005 0.000 0.722 651 K HN 0.431 nan 8.250 nan 0.000 0.446 652 Q N 1.889 121.691 119.800 0.004 0.000 1.993 652 Q HA -0.181 4.160 4.340 0.001 0.000 0.202 652 Q C 1.744 177.749 176.000 0.008 0.000 0.984 652 Q CA 1.716 57.524 55.803 0.007 0.000 0.837 652 Q CB 0.019 28.763 28.738 0.011 0.000 0.902 652 Q HN 0.210 nan 8.270 nan 0.000 0.423 653 K N 0.197 120.603 120.400 0.009 0.000 2.113 653 K HA -0.198 4.122 4.320 0.001 0.000 0.208 653 K C 2.232 178.836 176.600 0.007 0.000 1.047 653 K CA 1.698 57.991 56.287 0.010 0.000 0.928 653 K CB -0.091 32.415 32.500 0.011 0.000 0.716 653 K HN 0.393 nan 8.250 nan 0.000 0.446 654 Q N -0.487 119.315 119.800 0.005 0.000 2.224 654 Q HA -0.078 4.262 4.340 0.001 0.000 0.203 654 Q C 1.358 177.360 176.000 0.003 0.000 0.970 654 Q CA 1.539 57.343 55.803 0.003 0.000 0.865 654 Q CB 0.290 29.028 28.738 0.000 0.000 0.922 654 Q HN 0.395 nan 8.270 nan 0.000 0.445 655 T N -1.215 113.341 114.554 0.003 0.000 3.238 655 T HA 0.178 4.529 4.350 0.001 0.000 0.242 655 T C 0.600 175.302 174.700 0.004 0.000 0.980 655 T CA -0.302 61.800 62.100 0.003 0.000 1.235 655 T CB 0.203 69.072 68.868 0.002 0.000 1.069 655 T HN -0.041 nan 8.240 nan 0.000 0.407 656 R N 1.611 122.114 120.500 0.006 0.000 2.528 656 R HA 0.453 4.794 4.340 0.001 0.000 0.271 656 R C -0.345 175.960 176.300 0.009 0.000 1.056 656 R CA -0.380 55.725 56.100 0.007 0.000 1.117 656 R CB 0.714 31.019 30.300 0.008 0.000 1.085 656 R HN 0.308 nan 8.270 nan 0.000 0.530 657 E N 2.726 122.932 120.200 0.009 0.000 2.191 657 E HA 0.317 4.667 4.350 0.001 0.000 0.278 657 E C -0.457 176.151 176.600 0.013 0.000 0.972 657 E CA -0.509 55.898 56.400 0.011 0.000 0.804 657 E CB 1.761 31.466 29.700 0.009 0.000 1.110 657 E HN 0.425 nan 8.360 nan 0.000 0.394 658 I N -0.665 119.915 120.570 0.016 0.000 2.647 658 I HA 0.409 4.580 4.170 0.001 0.000 0.295 658 I C -0.322 175.809 176.117 0.023 0.000 1.078 658 I CA -1.243 60.069 61.300 0.021 0.000 1.048 658 I CB 1.817 39.832 38.000 0.025 0.000 1.239 658 I HN 0.099 nan 8.210 nan 0.000 0.421 659 N N 3.332 122.047 118.700 0.025 0.000 2.406 659 N HA 0.169 4.910 4.740 0.001 0.000 0.265 659 N C 0.784 176.319 175.510 0.042 0.000 1.203 659 N CA -0.098 52.969 53.050 0.028 0.000 0.945 659 N CB 0.687 39.189 38.487 0.026 0.000 1.165 659 N HN 0.528 nan 8.380 nan 0.000 0.485 660 R N 2.152 122.675 120.500 0.039 0.000 2.103 660 R HA -0.156 4.184 4.340 0.001 0.000 0.242 660 R C 1.329 177.682 176.300 0.089 0.000 1.142 660 R CA 1.631 57.767 56.100 0.059 0.000 0.960 660 R CB -0.120 30.201 30.300 0.035 0.000 0.858 660 R HN 0.679 nan 8.270 nan 0.000 0.439 661 E N -0.704 119.527 120.200 0.052 0.000 2.107 661 E HA -0.064 4.287 4.350 0.001 0.000 0.191 661 E C 1.948 178.623 176.600 0.125 0.000 0.982 661 E CA 1.239 57.674 56.400 0.059 0.000 0.809 661 E CB 0.094 29.789 29.700 -0.009 0.000 0.756 661 E HN 0.181 nan 8.360 nan 0.000 0.459 662 S N 0.621 116.373 115.700 0.086 0.000 2.348 662 S HA -0.214 4.256 4.470 0.001 0.000 0.221 662 S C 1.918 176.576 174.600 0.096 0.000 1.033 662 S CA 1.414 59.662 58.200 0.080 0.000 1.010 662 S CB -0.219 63.011 63.200 0.050 0.000 0.891 662 S HN 0.194 nan 8.310 nan 0.000 0.442 663 E N 0.849 121.105 120.200 0.094 0.000 2.110 663 E HA -0.129 4.221 4.350 0.001 0.000 0.193 663 E C 1.649 178.310 176.600 0.102 0.000 0.988 663 E CA 1.042 57.490 56.400 0.080 0.000 0.804 663 E CB -0.436 29.307 29.700 0.071 0.000 0.745 663 E HN 0.501 nan 8.360 nan 0.000 0.458 664 F N 1.019 120.975 119.950 0.010 0.000 2.095 664 F HA -0.215 4.312 4.527 0.001 0.000 0.298 664 F C 1.874 177.680 175.800 0.010 0.000 1.104 664 F CA 1.844 59.850 58.000 0.010 0.000 1.232 664 F CB -0.318 38.688 39.000 0.009 0.000 0.987 664 F HN 0.060 nan 8.300 nan 0.000 0.475 665 N N 0.515 119.359 118.700 0.240 0.000 2.120 665 N HA -0.201 4.540 4.740 0.001 0.000 0.188 665 N C 2.112 177.625 175.510 0.005 0.000 1.024 665 N CA 1.308 54.434 53.050 0.127 0.000 0.852 665 N CB -0.622 37.953 38.487 0.146 0.000 1.003 665 N HN 0.363 nan 8.380 nan 0.000 0.424 666 R N 0.909 121.417 120.500 0.013 0.000 2.105 666 R HA -0.032 4.309 4.340 0.001 0.000 0.239 666 R C 2.009 178.281 176.300 -0.047 0.000 1.135 666 R CA 0.927 57.022 56.100 -0.008 0.000 0.967 666 R CB -0.168 30.136 30.300 0.008 0.000 0.861 666 R HN 0.179 nan 8.270 nan 0.000 0.442 667 L N 0.343 121.512 121.223 -0.090 0.000 2.209 667 L HA -0.050 4.290 4.340 0.001 0.000 0.207 667 L C 2.448 179.211 176.870 -0.179 0.000 1.094 667 L CA 0.755 55.520 54.840 -0.126 0.000 0.790 667 L CB -0.151 41.825 42.059 -0.138 0.000 0.932 667 L HN 0.005 nan 8.230 nan 0.000 0.447 668 K N 0.016 120.257 120.400 -0.266 0.000 2.103 668 K HA -0.061 4.260 4.320 0.001 0.000 0.204 668 K C 1.801 178.334 176.600 -0.111 0.000 1.052 668 K CA 0.775 56.919 56.287 -0.238 0.000 0.945 668 K CB -0.356 31.960 32.500 -0.305 0.000 0.722 668 K HN 0.260 nan 8.250 nan 0.000 0.443 669 N N 1.646 120.300 118.700 -0.076 0.000 2.061 669 N HA -0.183 4.558 4.740 0.001 0.000 0.193 669 N C 1.880 177.369 175.510 -0.035 0.000 1.030 669 N CA 0.813 53.840 53.050 -0.038 0.000 0.856 669 N CB -0.461 38.013 38.487 -0.022 0.000 1.023 669 N HN 0.134 nan 8.380 nan 0.000 0.424 670 L N 1.292 122.490 121.223 -0.041 0.000 1.970 670 L HA -0.265 4.076 4.340 0.001 0.000 0.212 670 L C 2.416 179.269 176.870 -0.028 0.000 1.071 670 L CA 1.523 56.345 54.840 -0.029 0.000 0.751 670 L CB -0.344 41.697 42.059 -0.029 0.000 0.889 670 L HN 0.290 nan 8.230 nan 0.000 0.432 671 Q N -0.537 119.238 119.800 -0.042 0.000 2.062 671 Q HA -0.344 3.996 4.340 0.001 0.000 0.209 671 Q C 2.087 178.071 176.000 -0.027 0.000 0.996 671 Q CA 2.415 58.197 55.803 -0.035 0.000 0.859 671 Q CB -0.215 28.492 28.738 -0.051 0.000 0.920 671 Q HN 0.524 nan 8.270 nan 0.000 0.415 672 E N 0.163 120.345 120.200 -0.030 0.000 2.049 672 E HA -0.231 4.120 4.350 0.001 0.000 0.198 672 E C 1.638 178.230 176.600 -0.013 0.000 1.007 672 E CA 1.565 57.954 56.400 -0.019 0.000 0.809 672 E CB 0.114 29.803 29.700 -0.017 0.000 0.749 672 E HN 0.306 nan 8.360 nan 0.000 0.450 673 D N -0.305 120.087 120.400 -0.013 0.000 2.097 673 D HA -0.144 4.496 4.640 0.001 0.000 0.195 673 D C 2.038 178.334 176.300 -0.008 0.000 0.989 673 D CA 0.950 54.945 54.000 -0.009 0.000 0.827 673 D CB -0.317 40.478 40.800 -0.008 0.000 0.966 673 D HN 0.095 nan 8.370 nan 0.000 0.456 674 V N 0.844 120.753 119.914 -0.008 0.000 2.379 674 V HA -0.148 3.973 4.120 0.001 0.000 0.245 674 V C 2.413 178.501 176.094 -0.010 0.000 1.044 674 V CA 0.732 63.028 62.300 -0.007 0.000 1.036 674 V CB -0.185 31.636 31.823 -0.003 0.000 0.664 674 V HN 0.091 nan 8.190 nan 0.000 0.453 675 I N 0.061 120.623 120.570 -0.012 0.000 2.756 675 I HA -0.161 4.009 4.170 0.001 0.000 0.262 675 I C 2.251 178.361 176.117 -0.012 0.000 1.225 675 I CA 1.290 62.581 61.300 -0.014 0.000 1.472 675 I CB -0.184 37.807 38.000 -0.014 0.000 1.094 675 I HN 0.236 nan 8.210 nan 0.000 0.454 676 A N -0.775 122.039 122.820 -0.010 0.000 1.878 676 A HA -0.156 4.165 4.320 0.001 0.000 0.213 676 A C 2.197 179.776 177.584 -0.008 0.000 1.192 676 A CA 0.966 52.998 52.037 -0.008 0.000 0.619 676 A CB -0.490 18.506 19.000 -0.006 0.000 0.837 676 A HN 0.362 nan 8.150 nan 0.000 0.446 677 Q N -0.271 119.524 119.800 -0.008 0.000 2.124 677 Q HA -0.044 4.296 4.340 0.001 0.000 0.202 677 Q C 1.935 177.929 176.000 -0.010 0.000 0.977 677 Q CA 1.113 56.911 55.803 -0.007 0.000 0.850 677 Q CB -0.434 28.301 28.738 -0.005 0.000 0.901 677 Q HN 0.645 nan 8.270 nan 0.000 0.429 678 L N -0.246 120.969 121.223 -0.014 0.000 2.046 678 L HA -0.284 4.057 4.340 0.001 0.000 0.208 678 L C 2.129 178.989 176.870 -0.017 0.000 1.077 678 L CA 1.652 56.480 54.840 -0.020 0.000 0.747 678 L CB -0.194 41.849 42.059 -0.027 0.000 0.896 678 L HN 0.371 nan 8.230 nan 0.000 0.432 679 Q N -0.334 119.459 119.800 -0.012 0.000 2.084 679 Q HA -0.264 4.076 4.340 0.001 0.000 0.202 679 Q C 2.197 178.196 176.000 -0.002 0.000 0.978 679 Q CA 1.908 57.707 55.803 -0.007 0.000 0.844 679 Q CB 0.068 28.802 28.738 -0.006 0.000 0.898 679 Q HN 0.408 nan 8.270 nan 0.000 0.426 680 K N 0.166 120.564 120.400 -0.003 0.000 2.032 680 K HA -0.172 4.149 4.320 0.001 0.000 0.209 680 K C 2.003 178.606 176.600 0.005 0.000 1.048 680 K CA 1.397 57.683 56.287 -0.002 0.000 0.927 680 K CB -0.176 32.321 32.500 -0.005 0.000 0.712 680 K HN 0.210 nan 8.250 nan 0.000 0.441 681 I N 1.196 121.768 120.570 0.004 0.000 2.127 681 I HA -0.292 3.878 4.170 0.001 0.000 0.241 681 I C 2.146 178.283 176.117 0.033 0.000 1.075 681 I CA 1.480 62.788 61.300 0.013 0.000 1.334 681 I CB -0.254 37.744 38.000 -0.004 0.000 1.040 681 I HN 0.236 nan 8.210 nan 0.000 0.405 682 E N 0.696 120.904 120.200 0.013 0.000 2.204 682 E HA -0.201 4.149 4.350 0.001 0.000 0.195 682 E C 2.261 178.900 176.600 0.066 0.000 0.990 682 E CA 1.127 57.542 56.400 0.026 0.000 0.821 682 E CB -0.122 29.573 29.700 -0.009 0.000 0.750 682 E HN 0.535 nan 8.360 nan 0.000 0.477 683 A N 1.530 124.375 122.820 0.040 0.000 1.872 683 A HA -0.035 4.286 4.320 0.001 0.000 0.214 683 A C 2.399 180.004 177.584 0.034 0.000 1.187 683 A CA 1.424 53.480 52.037 0.033 0.000 0.614 683 A CB -0.575 18.432 19.000 0.011 0.000 0.826 683 A HN 0.282 nan 8.150 nan 0.000 0.442 684 A N -1.129 121.710 122.820 0.033 0.000 1.851 684 A HA -0.186 4.135 4.320 0.001 0.000 0.216 684 A C 2.179 179.778 177.584 0.025 0.000 1.195 684 A CA 1.815 53.859 52.037 0.013 0.000 0.622 684 A CB -1.091 17.918 19.000 0.014 0.000 0.831 684 A HN 0.748 nan 8.150 nan 0.000 0.444 685 Y N 0.651 120.927 120.300 -0.041 0.000 2.097 685 Y HA -0.237 4.314 4.550 0.001 0.000 0.282 685 Y C 2.986 178.864 175.900 -0.037 0.000 1.152 685 Y CA 2.212 60.289 58.100 -0.037 0.000 1.136 685 Y CB -0.456 37.989 38.460 -0.025 0.000 0.975 685 Y HN 0.331 nan 8.280 nan 0.000 0.498 686 S N -0.019 115.790 115.700 0.182 0.000 2.370 686 S HA -0.273 4.198 4.470 0.001 0.000 0.226 686 S C 1.662 176.255 174.600 -0.011 0.000 1.033 686 S CA 2.139 60.402 58.200 0.105 0.000 1.011 686 S CB -0.661 62.603 63.200 0.107 0.000 0.852 686 S HN 0.747 nan 8.310 nan 0.000 0.457 687 N N 0.953 119.634 118.700 -0.033 0.000 2.142 687 N HA 0.006 4.746 4.740 0.001 0.000 0.186 687 N C 1.868 177.309 175.510 -0.114 0.000 1.023 687 N CA 1.086 54.106 53.050 -0.051 0.000 0.852 687 N CB -0.237 38.216 38.487 -0.057 0.000 0.998 687 N HN 0.246 nan 8.380 nan 0.000 0.424 688 L N 0.904 121.995 121.223 -0.220 0.000 1.970 688 L HA -0.126 4.215 4.340 0.001 0.000 0.212 688 L C 2.067 178.640 176.870 -0.496 0.000 1.071 688 L CA 1.648 56.243 54.840 -0.409 0.000 0.751 688 L CB -0.628 41.177 42.059 -0.424 0.000 0.889 688 L HN 0.251 nan 8.230 nan 0.000 0.432 689 L N 0.322 121.315 121.223 -0.384 0.000 2.131 689 L HA -0.094 4.247 4.340 0.001 0.000 0.210 689 L C 2.599 179.442 176.870 -0.045 0.000 1.092 689 L CA 1.864 56.567 54.840 -0.227 0.000 0.759 689 L CB -0.793 41.110 42.059 -0.261 0.000 0.903 689 L HN 0.293 nan 8.230 nan 0.000 0.435 690 A N -1.551 121.265 122.820 -0.006 0.000 1.897 690 A HA -0.256 4.064 4.320 0.001 0.000 0.215 690 A C 2.285 179.990 177.584 0.201 0.000 1.181 690 A CA 1.505 53.615 52.037 0.121 0.000 0.620 690 A CB -1.087 17.983 19.000 0.117 0.000 0.821 690 A HN 0.583 nan 8.150 nan 0.000 0.443 691 Y N -0.690 119.604 120.300 -0.011 0.000 2.128 691 Y HA -0.332 4.218 4.550 0.001 0.000 0.284 691 Y C 2.234 178.259 175.900 0.207 0.000 1.154 691 Y CA 2.164 60.268 58.100 0.006 0.000 1.149 691 Y CB -0.455 37.863 38.460 -0.237 0.000 0.976 691 Y HN 0.437 nan 8.280 nan 0.000 0.505 692 Y N -1.386 118.884 120.300 -0.050 0.000 2.224 692 Y HA -0.293 4.257 4.550 0.001 0.000 0.289 692 Y C 3.026 178.881 175.900 -0.076 0.000 1.146 692 Y CA 0.663 58.698 58.100 -0.108 0.000 1.182 692 Y CB -0.431 38.016 38.460 -0.022 0.000 0.983 692 Y HN 0.187 nan 8.280 nan 0.000 0.524 693 S N -0.910 114.866 115.700 0.128 0.000 2.383 693 S HA -0.164 4.306 4.470 0.001 0.000 0.227 693 S C 1.345 175.862 174.600 -0.138 0.000 1.026 693 S CA 0.966 59.159 58.200 -0.013 0.000 0.981 693 S CB -0.309 62.866 63.200 -0.041 0.000 0.818 693 S HN 0.452 nan 8.310 nan 0.000 0.472 694 H N -0.381 118.702 119.070 0.021 0.000 2.517 694 H HA 0.279 4.836 4.556 0.001 0.000 0.282 694 H C -0.169 174.926 175.328 -0.389 0.000 1.023 694 H CA 0.275 56.253 56.048 -0.118 0.000 1.169 694 H CB 0.149 29.849 29.762 -0.103 0.000 1.454 694 H HN 0.465 nan 8.280 nan 0.000 0.556 695 H N 0.000 118.990 119.070 -0.133 0.000 2.539 695 H HA 0.000 4.557 4.556 0.001 0.000 0.296 695 H CA 0.000 55.937 56.048 -0.185 0.000 1.023 695 H CB 0.000 29.501 29.762 -0.435 0.000 1.292 695 H HN 0.000 nan 8.280 nan 0.000 0.496