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 2r9h_1_B DATA FIRST_RESID 18 DATA SEQUENCE RRQLIRQLLE RDKTPLAILF MAAVVGTLVG LAAVAFDKGV AWLQNQRMGA DATA SEQUENCE LVHTADNYPL LLTVAFLCSA VLAMFGYFLV RKYAPEAGGS GIPEIEGALE DATA SEQUENCE DQRPVRWWRV LPVKFFGGLG TLGGGMVLGR EGPTVQIGGN IGRMVLDIFR DATA SEQUENCE LKGDEARHTL LATGAAAGLA AAFNAPLAGI LFIIEEMRPC FRYTLISIKA DATA SEQUENCE VFIGVIMSTI MYRIFNHEVA LIDVGKLSDA PLNTLWLYLI LGIIFGIFGP DATA SEQUENCE IFNKWVLGMQ DLLHRVHGGN ITKWVLMGGA IGGLCGLLGF VAPATSGGGF DATA SEQUENCE NLIPIATAGN FSMGMLVFIF VARVITTLLC FSSGAPGGIF APMLALGTVL DATA SEQUENCE GTAFGMVAVE LFPQYHLEAG TFAIAGMGAL LAASIRAPLT GIILVLEMTD DATA SEQUENCE NYQLILPMII TGLGATLLAQ FTGGKPLYSA ILARTLAKQE A 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.297 176.300 -0.004 0.000 0.893 18 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 18 R CB 0.000 30.297 30.300 -0.004 0.000 0.687 19 R N 0.957 121.455 120.500 -0.002 0.000 2.092 19 R HA -0.087 4.252 4.340 -0.002 0.000 0.231 19 R C 2.000 178.300 176.300 -0.001 0.000 1.119 19 R CA 1.629 57.729 56.100 -0.001 0.000 0.970 19 R CB -0.170 30.130 30.300 0.000 0.000 0.864 19 R HN 0.294 nan 8.270 nan 0.000 0.440 20 Q N 1.134 120.933 119.800 -0.001 0.000 2.167 20 Q HA -0.153 4.186 4.340 -0.002 0.000 0.202 20 Q C 2.047 178.045 176.000 -0.004 0.000 0.970 20 Q CA 1.221 57.024 55.803 -0.000 0.000 0.855 20 Q CB 0.018 28.757 28.738 0.001 0.000 0.911 20 Q HN 0.267 nan 8.270 nan 0.000 0.438 21 L N 0.655 121.874 121.223 -0.007 0.000 2.056 21 L HA -0.118 4.221 4.340 -0.002 0.000 0.207 21 L C 2.333 179.197 176.870 -0.009 0.000 1.078 21 L CA 1.222 56.055 54.840 -0.012 0.000 0.749 21 L CB -0.277 41.773 42.059 -0.015 0.000 0.901 21 L HN 0.201 nan 8.230 nan 0.000 0.433 22 I N -1.007 119.559 120.570 -0.006 0.000 2.335 22 I HA -0.300 3.869 4.170 -0.002 0.000 0.251 22 I C 2.593 178.709 176.117 -0.003 0.000 1.129 22 I CA 0.951 62.249 61.300 -0.005 0.000 1.402 22 I CB -0.288 37.710 38.000 -0.003 0.000 1.069 22 I HN 0.227 nan 8.210 nan 0.000 0.424 23 R N 0.941 121.441 120.500 -0.001 0.000 2.092 23 R HA -0.144 4.195 4.340 -0.002 0.000 0.231 23 R C 2.220 178.522 176.300 0.003 0.000 1.119 23 R CA 1.557 57.659 56.100 0.002 0.000 0.970 23 R CB -0.246 30.057 30.300 0.004 0.000 0.864 23 R HN 0.389 nan 8.270 nan 0.000 0.440 24 Q N -0.382 119.418 119.800 -0.000 0.000 2.016 24 Q HA -0.084 4.255 4.340 -0.002 0.000 0.200 24 Q C 2.150 178.149 176.000 -0.003 0.000 0.978 24 Q CA 1.609 57.412 55.803 -0.001 0.000 0.833 24 Q CB -0.138 28.593 28.738 -0.011 0.000 0.895 24 Q HN 0.298 nan 8.270 nan 0.000 0.427 25 L N 0.381 121.600 121.223 -0.007 0.000 2.013 25 L HA -0.245 4.094 4.340 -0.002 0.000 0.212 25 L C 2.175 179.043 176.870 -0.003 0.000 1.073 25 L CA 1.167 56.002 54.840 -0.008 0.000 0.753 25 L CB -0.362 41.691 42.059 -0.009 0.000 0.890 25 L HN 0.267 nan 8.230 nan 0.000 0.432 26 L N -1.055 120.167 121.223 -0.001 0.000 2.478 26 L HA -0.070 4.269 4.340 -0.002 0.000 0.223 26 L C 1.926 178.798 176.870 0.004 0.000 1.140 26 L CA 0.408 55.249 54.840 0.001 0.000 0.842 26 L CB -0.190 41.869 42.059 0.000 0.000 0.953 26 L HN 0.217 nan 8.230 nan 0.000 0.452 27 E N -0.131 120.073 120.200 0.007 0.000 2.498 27 E HA 0.091 4.440 4.350 -0.002 0.000 0.203 27 E C 0.489 177.100 176.600 0.018 0.000 1.013 27 E CA -0.088 56.320 56.400 0.013 0.000 0.927 27 E CB 0.393 30.102 29.700 0.016 0.000 1.012 27 E HN 0.302 nan 8.360 nan 0.000 0.482 28 R N 1.684 122.192 120.500 0.014 0.000 2.594 28 R HA -0.034 4.305 4.340 -0.002 0.000 0.272 28 R C -0.205 176.106 176.300 0.019 0.000 1.074 28 R CA 0.323 56.435 56.100 0.019 0.000 1.105 28 R CB 0.275 30.581 30.300 0.010 0.000 1.008 28 R HN -0.141 nan 8.270 nan 0.000 0.472 29 D N 1.689 122.106 120.400 0.028 0.000 2.723 29 D HA -0.159 4.480 4.640 -0.002 0.000 0.236 29 D C -1.347 174.964 176.300 0.019 0.000 1.138 29 D CA 1.231 55.245 54.000 0.024 0.000 0.676 29 D CB -0.529 40.278 40.800 0.012 0.000 1.069 29 D HN 0.492 nan 8.370 nan 0.000 0.430 30 K N 0.843 121.258 120.400 0.025 0.000 2.527 30 K HA 0.363 4.682 4.320 -0.002 0.000 0.240 30 K C -0.748 175.867 176.600 0.025 0.000 0.989 30 K CA -0.562 55.738 56.287 0.020 0.000 0.985 30 K CB 1.403 33.913 32.500 0.018 0.000 1.221 30 K HN 0.013 nan 8.250 nan 0.000 0.458 31 T N 3.531 118.099 114.554 0.023 0.000 2.758 31 T HA 0.275 4.624 4.350 -0.002 0.000 0.285 31 T C -2.386 172.328 174.700 0.022 0.000 0.981 31 T CA -1.762 60.354 62.100 0.026 0.000 0.965 31 T CB 1.091 69.976 68.868 0.028 0.000 0.927 31 T HN 0.206 nan 8.240 nan 0.000 0.448 32 P HA 0.044 nan 4.420 nan 0.000 0.260 32 P C 1.061 178.374 177.300 0.022 0.000 1.172 32 P CA -0.164 62.947 63.100 0.019 0.000 0.760 32 P CB 0.460 32.171 31.700 0.018 0.000 0.773 33 L N 3.940 125.174 121.223 0.019 0.000 2.137 33 L HA -0.312 4.027 4.340 -0.002 0.000 0.213 33 L C 2.038 178.936 176.870 0.047 0.000 1.085 33 L CA 2.199 57.056 54.840 0.029 0.000 0.760 33 L CB -0.539 41.526 42.059 0.010 0.000 0.893 33 L HN 0.464 nan 8.230 nan 0.000 0.434 34 A N 0.017 122.853 122.820 0.028 0.000 1.908 34 A HA -0.226 4.093 4.320 -0.002 0.000 0.218 34 A C 2.141 179.754 177.584 0.049 0.000 1.181 34 A CA 2.117 54.174 52.037 0.034 0.000 0.627 34 A CB -0.822 18.188 19.000 0.017 0.000 0.818 34 A HN 0.529 nan 8.150 nan 0.000 0.445 35 I N -0.337 120.251 120.570 0.031 0.000 2.226 35 I HA -0.259 3.910 4.170 -0.002 0.000 0.245 35 I C 2.381 178.510 176.117 0.020 0.000 1.100 35 I CA 1.050 62.360 61.300 0.016 0.000 1.374 35 I CB -0.350 37.658 38.000 0.014 0.000 1.057 35 I HN 0.306 nan 8.210 nan 0.000 0.413 36 L N -0.368 120.880 121.223 0.042 0.000 1.994 36 L HA -0.242 4.097 4.340 -0.002 0.000 0.208 36 L C 2.601 179.499 176.870 0.046 0.000 1.071 36 L CA 1.523 56.388 54.840 0.042 0.000 0.745 36 L CB -0.726 41.365 42.059 0.052 0.000 0.892 36 L HN 0.180 nan 8.230 nan 0.000 0.431 37 F N 0.137 120.051 119.950 -0.060 0.000 2.216 37 F HA -0.245 4.281 4.527 -0.002 0.000 0.300 37 F C 2.474 178.199 175.800 -0.124 0.000 1.085 37 F CA 1.367 59.319 58.000 -0.079 0.000 1.326 37 F CB 0.011 38.964 39.000 -0.079 0.000 1.027 37 F HN 0.001 nan 8.300 nan 0.000 0.497 38 M N -0.072 119.499 119.600 -0.048 0.000 2.319 38 M HA 0.009 4.488 4.480 -0.002 0.000 0.265 38 M C 2.497 178.682 176.300 -0.193 0.000 1.068 38 M CA 1.234 56.420 55.300 -0.189 0.000 1.118 38 M CB -1.947 30.562 32.600 -0.151 0.000 1.395 38 M HN 0.273 nan 8.290 nan 0.000 0.435 39 A N 0.525 123.270 122.820 -0.125 0.000 1.902 39 A HA -0.006 4.314 4.320 -0.002 0.000 0.217 39 A C 2.469 179.975 177.584 -0.130 0.000 1.181 39 A CA 2.050 54.029 52.037 -0.098 0.000 0.623 39 A CB -0.863 18.110 19.000 -0.044 0.000 0.818 39 A HN 0.447 nan 8.150 nan 0.000 0.443 40 A N 0.009 122.717 122.820 -0.187 0.000 1.883 40 A HA -0.062 4.257 4.320 -0.002 0.000 0.217 40 A C 2.390 179.833 177.584 -0.234 0.000 1.186 40 A CA 2.488 54.396 52.037 -0.215 0.000 0.624 40 A CB -1.345 17.471 19.000 -0.307 0.000 0.822 40 A HN 1.240 nan 8.150 nan 0.000 0.444 41 V N -1.989 117.731 119.914 -0.323 0.000 2.515 41 V HA -0.149 3.970 4.120 -0.002 0.000 0.250 41 V C 2.142 178.134 176.094 -0.170 0.000 1.058 41 V CA 2.108 64.249 62.300 -0.264 0.000 1.064 41 V CB -1.226 30.404 31.823 -0.321 0.000 0.675 41 V HN 0.222 nan 8.190 nan 0.000 0.461 42 V N 2.114 121.931 119.914 -0.162 0.000 2.233 42 V HA -0.111 4.009 4.120 -0.002 0.000 0.247 42 V C 3.033 179.071 176.094 -0.093 0.000 1.050 42 V CA 2.498 64.725 62.300 -0.121 0.000 1.010 42 V CB -1.824 29.934 31.823 -0.109 0.000 0.637 42 V HN 0.624 nan 8.190 nan 0.000 0.444 43 G N -0.268 108.482 108.800 -0.083 0.000 2.446 43 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.217 43 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.217 43 G C 1.677 176.552 174.900 -0.041 0.000 1.168 43 G CA 1.697 46.764 45.100 -0.055 0.000 0.771 43 G HN 0.482 nan 8.290 nan 0.000 0.551 44 T N 1.452 115.973 114.554 -0.054 0.000 2.665 44 T HA -0.135 4.214 4.350 -0.002 0.000 0.268 44 T C 2.423 177.109 174.700 -0.024 0.000 1.035 44 T CA 1.327 63.408 62.100 -0.033 0.000 1.151 44 T CB -0.290 68.544 68.868 -0.057 0.000 0.862 44 T HN 0.161 nan 8.240 nan 0.000 0.438 45 L N 0.539 121.732 121.223 -0.050 0.000 2.017 45 L HA -0.078 4.261 4.340 -0.002 0.000 0.208 45 L C 2.727 179.569 176.870 -0.047 0.000 1.073 45 L CA 0.906 55.715 54.840 -0.052 0.000 0.745 45 L CB -0.651 41.365 42.059 -0.072 0.000 0.894 45 L HN 0.129 nan 8.230 nan 0.000 0.432 46 V N 0.014 119.898 119.914 -0.050 0.000 2.407 46 V HA -0.221 3.898 4.120 -0.002 0.000 0.248 46 V C 2.554 178.635 176.094 -0.021 0.000 1.055 46 V CA 1.916 64.188 62.300 -0.047 0.000 1.049 46 V CB -1.405 30.384 31.823 -0.057 0.000 0.662 46 V HN 0.584 nan 8.190 nan 0.000 0.455 47 G N 0.173 108.974 108.800 0.001 0.000 2.453 47 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.215 47 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.215 47 G C 1.564 176.489 174.900 0.042 0.000 1.201 47 G CA 1.117 46.245 45.100 0.047 0.000 0.784 47 G HN 0.457 nan 8.290 nan 0.000 0.545 48 L N 1.008 122.238 121.223 0.012 0.000 2.013 48 L HA -0.153 4.186 4.340 -0.002 0.000 0.212 48 L C 3.442 180.281 176.870 -0.052 0.000 1.073 48 L CA 1.331 56.138 54.840 -0.054 0.000 0.753 48 L CB -0.538 41.497 42.059 -0.040 0.000 0.890 48 L HN 0.310 nan 8.230 nan 0.000 0.432 49 A N -0.030 122.779 122.820 -0.018 0.000 1.883 49 A HA -0.217 4.102 4.320 -0.002 0.000 0.217 49 A C 2.551 180.219 177.584 0.140 0.000 1.186 49 A CA 2.021 54.079 52.037 0.034 0.000 0.624 49 A CB -0.886 18.106 19.000 -0.012 0.000 0.822 49 A HN 0.419 nan 8.150 nan 0.000 0.444 50 A N -0.665 122.198 122.820 0.072 0.000 1.902 50 A HA -0.002 4.317 4.320 -0.002 0.000 0.217 50 A C 2.258 179.936 177.584 0.156 0.000 1.181 50 A CA 1.851 53.943 52.037 0.091 0.000 0.623 50 A CB -1.010 18.007 19.000 0.028 0.000 0.818 50 A HN 0.407 nan 8.150 nan 0.000 0.443 51 V N -0.067 119.899 119.914 0.086 0.000 2.255 51 V HA -0.280 3.839 4.120 -0.002 0.000 0.247 51 V C 3.091 179.163 176.094 -0.038 0.000 1.051 51 V CA 2.096 64.394 62.300 -0.004 0.000 1.018 51 V CB -1.372 30.310 31.823 -0.234 0.000 0.641 51 V HN 0.627 nan 8.190 nan 0.000 0.445 52 A N -0.559 122.241 122.820 -0.033 0.000 1.908 52 A HA -0.286 4.033 4.320 -0.002 0.000 0.218 52 A C 2.135 179.774 177.584 0.092 0.000 1.181 52 A CA 2.281 54.336 52.037 0.029 0.000 0.627 52 A CB -0.811 18.244 19.000 0.091 0.000 0.818 52 A HN 0.541 nan 8.150 nan 0.000 0.445 53 F N 0.923 120.878 119.950 0.008 0.000 2.095 53 F HA -0.201 4.325 4.527 -0.002 0.000 0.298 53 F C 1.985 177.675 175.800 -0.182 0.000 1.104 53 F CA 2.183 60.023 58.000 -0.266 0.000 1.232 53 F CB -0.183 38.679 39.000 -0.230 0.000 0.987 53 F HN 0.317 nan 8.300 nan 0.000 0.475 54 D N 0.224 120.648 120.400 0.040 0.000 2.117 54 D HA -0.161 4.478 4.640 -0.002 0.000 0.197 54 D C 2.072 178.335 176.300 -0.063 0.000 0.987 54 D CA 1.130 55.136 54.000 0.009 0.000 0.829 54 D CB -0.064 40.817 40.800 0.136 0.000 0.961 54 D HN 0.177 nan 8.370 nan 0.000 0.460 55 K N 0.108 120.476 120.400 -0.053 0.000 2.026 55 K HA -0.065 4.254 4.320 -0.002 0.000 0.208 55 K C 2.201 178.784 176.600 -0.029 0.000 1.048 55 K CA 1.143 57.417 56.287 -0.023 0.000 0.929 55 K CB -0.886 31.596 32.500 -0.030 0.000 0.713 55 K HN 0.229 nan 8.250 nan 0.000 0.439 56 G N 1.486 110.187 108.800 -0.165 0.000 2.459 56 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.217 56 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.217 56 G C 1.744 176.559 174.900 -0.141 0.000 1.183 56 G CA 1.197 46.167 45.100 -0.217 0.000 0.776 56 G HN 0.124 nan 8.290 nan 0.000 0.552 57 V N 1.720 121.450 119.914 -0.306 0.000 2.287 57 V HA -0.180 3.939 4.120 -0.002 0.000 0.248 57 V C 3.343 179.414 176.094 -0.040 0.000 1.053 57 V CA 2.187 64.354 62.300 -0.222 0.000 1.027 57 V CB -1.139 30.504 31.823 -0.300 0.000 0.646 57 V HN 0.505 nan 8.190 nan 0.000 0.447 58 A N -0.913 121.906 122.820 -0.002 0.000 1.858 58 A HA -0.299 4.020 4.320 -0.002 0.000 0.216 58 A C 1.977 179.621 177.584 0.099 0.000 1.190 58 A CA 2.053 54.120 52.037 0.050 0.000 0.617 58 A CB -1.098 17.935 19.000 0.056 0.000 0.827 58 A HN 0.706 nan 8.150 nan 0.000 0.443 59 W N 0.395 121.659 121.300 -0.060 0.000 2.305 59 W HA -0.235 4.424 4.660 -0.002 0.000 0.308 59 W C 1.797 178.293 176.519 -0.038 0.000 1.226 59 W CA 2.275 59.594 57.345 -0.042 0.000 1.253 59 W CB -0.199 29.231 29.460 -0.049 0.000 1.146 59 W HN 0.291 nan 8.180 nan 0.000 0.507 60 L N -0.423 120.981 121.223 0.302 0.000 2.162 60 L HA -0.127 4.212 4.340 -0.002 0.000 0.205 60 L C 2.531 179.424 176.870 0.040 0.000 1.086 60 L CA 1.125 56.078 54.840 0.188 0.000 0.778 60 L CB -0.916 41.255 42.059 0.187 0.000 0.928 60 L HN -0.026 nan 8.230 nan 0.000 0.446 61 Q N -0.296 119.523 119.800 0.031 0.000 2.170 61 Q HA -0.210 4.129 4.340 -0.002 0.000 0.203 61 Q C 1.996 177.989 176.000 -0.011 0.000 0.976 61 Q CA 1.409 57.222 55.803 0.016 0.000 0.858 61 Q CB -0.199 28.554 28.738 0.025 0.000 0.907 61 Q HN 0.497 nan 8.270 nan 0.000 0.433 62 N N -0.141 118.528 118.700 -0.051 0.000 2.106 62 N HA -0.186 4.553 4.740 -0.002 0.000 0.188 62 N C 1.659 177.086 175.510 -0.138 0.000 1.029 62 N CA 0.827 53.817 53.050 -0.100 0.000 0.848 62 N CB 0.237 38.630 38.487 -0.157 0.000 1.007 62 N HN 0.234 nan 8.380 nan 0.000 0.423 63 Q N 1.000 120.672 119.800 -0.214 0.000 2.061 63 Q HA -0.144 4.195 4.340 -0.002 0.000 0.204 63 Q C 2.106 178.060 176.000 -0.076 0.000 0.984 63 Q CA 1.239 56.921 55.803 -0.202 0.000 0.846 63 Q CB -0.535 28.056 28.738 -0.245 0.000 0.902 63 Q HN 0.457 nan 8.270 nan 0.000 0.421 64 R N -0.078 120.399 120.500 -0.038 0.000 2.105 64 R HA -0.034 4.305 4.340 -0.002 0.000 0.239 64 R C 2.374 178.687 176.300 0.021 0.000 1.135 64 R CA 1.296 57.397 56.100 0.003 0.000 0.967 64 R CB -0.228 30.084 30.300 0.021 0.000 0.861 64 R HN 0.292 nan 8.270 nan 0.000 0.442 65 M N -0.684 118.927 119.600 0.019 0.000 2.319 65 M HA -0.037 4.442 4.480 -0.002 0.000 0.265 65 M C 2.273 178.587 176.300 0.023 0.000 1.068 65 M CA 1.366 56.691 55.300 0.042 0.000 1.118 65 M CB -0.188 32.433 32.600 0.034 0.000 1.395 65 M HN 0.325 nan 8.290 nan 0.000 0.435 66 G N 0.017 108.819 108.800 0.002 0.000 2.408 66 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.217 66 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.217 66 G C 1.582 176.554 174.900 0.121 0.000 1.150 66 G CA 0.904 46.017 45.100 0.022 0.000 0.776 66 G HN 0.521 nan 8.290 nan 0.000 0.542 67 A N 0.422 123.304 122.820 0.103 0.000 1.930 67 A HA 0.191 4.510 4.320 -0.002 0.000 0.217 67 A C 2.366 179.997 177.584 0.078 0.000 1.175 67 A CA 0.920 53.029 52.037 0.120 0.000 0.627 67 A CB -0.329 18.698 19.000 0.045 0.000 0.815 67 A HN 0.340 nan 8.150 nan 0.000 0.443 68 L N -0.647 120.598 121.223 0.037 0.000 2.201 68 L HA -0.131 4.208 4.340 -0.002 0.000 0.212 68 L C 2.401 179.289 176.870 0.030 0.000 1.105 68 L CA 0.644 55.490 54.840 0.011 0.000 0.775 68 L CB -0.260 41.830 42.059 0.051 0.000 0.913 68 L HN 0.250 nan 8.230 nan 0.000 0.440 69 V N -1.012 118.902 119.914 -0.001 0.000 2.379 69 V HA -0.272 3.847 4.120 -0.002 0.000 0.245 69 V C 2.061 178.083 176.094 -0.120 0.000 1.044 69 V CA 1.639 63.891 62.300 -0.080 0.000 1.036 69 V CB -0.601 31.116 31.823 -0.177 0.000 0.664 69 V HN 0.469 nan 8.190 nan 0.000 0.453 70 H N 0.222 119.295 119.070 0.005 0.000 2.545 70 H HA -0.030 4.525 4.556 -0.002 0.000 0.282 70 H C 1.376 176.704 175.328 -0.001 0.000 1.020 70 H CA 1.403 57.450 56.048 -0.000 0.000 1.243 70 H CB 0.083 29.840 29.762 -0.009 0.000 1.377 70 H HN 0.594 nan 8.280 nan 0.000 0.581 71 T N -3.431 111.173 114.554 0.083 0.000 3.533 71 T HA 0.514 4.863 4.350 -0.002 0.000 0.275 71 T C 1.218 175.935 174.700 0.028 0.000 1.000 71 T CA -0.038 62.088 62.100 0.043 0.000 1.015 71 T CB 0.437 69.315 68.868 0.017 0.000 1.153 71 T HN 0.253 nan 8.240 nan 0.000 0.504 72 A N 1.616 124.461 122.820 0.041 0.000 2.235 72 A HA 0.079 4.399 4.320 -0.002 0.000 0.208 72 A C 1.942 179.577 177.584 0.084 0.000 1.172 72 A CA 0.809 52.888 52.037 0.070 0.000 0.786 72 A CB -0.267 18.773 19.000 0.068 0.000 0.804 72 A HN 0.781 nan 8.150 nan 0.000 0.479 73 D N -0.210 120.229 120.400 0.064 0.000 2.255 73 D HA -0.095 4.544 4.640 -0.002 0.000 0.224 73 D C 0.692 177.042 176.300 0.084 0.000 0.997 73 D CA 0.084 54.123 54.000 0.065 0.000 0.906 73 D CB -0.793 40.034 40.800 0.046 0.000 1.047 73 D HN 0.397 nan 8.370 nan 0.000 0.458 74 N N -0.014 118.727 118.700 0.069 0.000 2.405 74 N HA -0.066 4.673 4.740 -0.002 0.000 0.260 74 N C 0.310 175.884 175.510 0.106 0.000 1.152 74 N CA -0.287 52.810 53.050 0.078 0.000 0.948 74 N CB 0.650 39.162 38.487 0.041 0.000 1.111 74 N HN 0.065 nan 8.380 nan 0.000 0.485 75 Y N 6.828 127.130 120.300 0.003 0.000 2.070 75 Y HA -0.048 4.501 4.550 -0.002 0.000 0.280 75 Y C -1.053 174.836 175.900 -0.018 0.000 1.148 75 Y CA 1.525 59.628 58.100 0.005 0.000 1.125 75 Y CB -0.931 37.547 38.460 0.029 0.000 0.975 75 Y HN 0.617 nan 8.280 nan 0.000 0.492 76 P HA -0.156 nan 4.420 nan 0.000 0.220 76 P C 1.778 179.003 177.300 -0.125 0.000 1.148 76 P CA 1.332 64.352 63.100 -0.133 0.000 0.803 76 P CB -0.151 31.527 31.700 -0.037 0.000 0.782 77 L N -0.161 121.018 121.223 -0.073 0.000 2.093 77 L HA -0.114 4.225 4.340 -0.002 0.000 0.208 77 L C 1.891 178.701 176.870 -0.100 0.000 1.085 77 L CA 1.600 56.400 54.840 -0.065 0.000 0.755 77 L CB -1.273 40.770 42.059 -0.027 0.000 0.904 77 L HN -0.121 nan 8.230 nan 0.000 0.435 78 L N -2.570 118.568 121.223 -0.141 0.000 2.109 78 L HA -0.048 4.291 4.340 -0.002 0.000 0.207 78 L C 2.150 178.822 176.870 -0.330 0.000 1.086 78 L CA 1.576 56.280 54.840 -0.226 0.000 0.760 78 L CB -1.391 40.520 42.059 -0.247 0.000 0.910 78 L HN 0.127 nan 8.230 nan 0.000 0.437 79 L N -0.134 120.879 121.223 -0.349 0.000 2.201 79 L HA -0.096 4.243 4.340 -0.002 0.000 0.212 79 L C 2.401 179.196 176.870 -0.125 0.000 1.105 79 L CA 1.306 55.971 54.840 -0.292 0.000 0.775 79 L CB -1.127 40.736 42.059 -0.327 0.000 0.913 79 L HN 0.378 nan 8.230 nan 0.000 0.440 80 T N -0.214 114.271 114.554 -0.115 0.000 2.732 80 T HA -0.121 4.228 4.350 -0.002 0.000 0.261 80 T C 1.912 176.612 174.700 0.001 0.000 1.040 80 T CA 1.528 63.594 62.100 -0.057 0.000 1.145 80 T CB -0.330 68.491 68.868 -0.077 0.000 0.866 80 T HN 0.322 nan 8.240 nan 0.000 0.427 81 V N 0.612 120.503 119.914 -0.038 0.000 2.913 81 V HA 0.142 4.261 4.120 -0.002 0.000 0.260 81 V C 2.515 178.603 176.094 -0.011 0.000 1.098 81 V CA 1.059 63.348 62.300 -0.017 0.000 1.121 81 V CB -1.544 30.260 31.823 -0.032 0.000 0.714 81 V HN 0.422 nan 8.190 nan 0.000 0.487 82 A N 0.359 123.153 122.820 -0.044 0.000 1.854 82 A HA -0.027 4.292 4.320 -0.002 0.000 0.214 82 A C 2.013 179.626 177.584 0.048 0.000 1.192 82 A CA 1.682 53.700 52.037 -0.030 0.000 0.611 82 A CB -0.848 18.088 19.000 -0.107 0.000 0.832 82 A HN 0.534 nan 8.150 nan 0.000 0.442 83 F N 0.562 120.481 119.950 -0.052 0.000 2.046 83 F HA -0.169 4.357 4.527 -0.001 0.000 0.297 83 F C 2.067 177.862 175.800 -0.009 0.000 1.123 83 F CA 1.831 59.817 58.000 -0.023 0.000 1.199 83 F CB -0.472 38.507 39.000 -0.034 0.000 0.972 83 F HN 0.138 nan 8.300 nan 0.000 0.474 84 L N -0.932 120.489 121.223 0.331 0.000 1.970 84 L HA -0.349 3.990 4.340 -0.002 0.000 0.212 84 L C 2.722 179.663 176.870 0.118 0.000 1.071 84 L CA 1.730 56.700 54.840 0.217 0.000 0.751 84 L CB -1.052 41.075 42.059 0.114 0.000 0.889 84 L HN 0.283 nan 8.230 nan 0.000 0.432 85 C N -0.881 118.463 119.300 0.073 0.000 2.401 85 C HA -0.199 4.260 4.460 -0.002 0.000 0.276 85 C C 3.124 178.140 174.990 0.044 0.000 1.233 85 C CA 1.467 60.514 59.018 0.047 0.000 1.753 85 C CB -0.803 26.955 27.740 0.030 0.000 2.029 85 C HN 0.538 nan 8.230 nan 0.000 0.478 86 S N 0.377 116.089 115.700 0.019 0.000 2.387 86 S HA 0.001 4.470 4.470 -0.002 0.000 0.226 86 S C 2.135 176.732 174.600 -0.005 0.000 1.026 86 S CA 1.053 59.249 58.200 -0.007 0.000 0.972 86 S CB -0.383 62.777 63.200 -0.067 0.000 0.814 86 S HN 0.714 nan 8.310 nan 0.000 0.477 87 A N 1.490 124.298 122.820 -0.019 0.000 1.858 87 A HA -0.044 4.275 4.320 -0.002 0.000 0.216 87 A C 2.326 179.966 177.584 0.094 0.000 1.190 87 A CA 1.551 53.606 52.037 0.029 0.000 0.617 87 A CB -1.068 18.015 19.000 0.137 0.000 0.827 87 A HN 0.316 nan 8.150 nan 0.000 0.443 88 V N 0.072 120.047 119.914 0.102 0.000 2.332 88 V HA -0.278 3.841 4.120 -0.002 0.000 0.248 88 V C 2.560 178.746 176.094 0.154 0.000 1.055 88 V CA 2.108 64.475 62.300 0.112 0.000 1.038 88 V CB -0.760 31.111 31.823 0.081 0.000 0.651 88 V HN 0.549 nan 8.190 nan 0.000 0.450 89 L N -0.406 120.899 121.223 0.136 0.000 2.109 89 L HA -0.042 4.298 4.340 -0.002 0.000 0.207 89 L C 2.669 179.700 176.870 0.269 0.000 1.086 89 L CA 1.198 56.144 54.840 0.176 0.000 0.760 89 L CB -0.700 41.425 42.059 0.110 0.000 0.910 89 L HN 0.333 nan 8.230 nan 0.000 0.437 90 A N 0.095 123.052 122.820 0.228 0.000 1.858 90 A HA -0.230 4.090 4.320 -0.002 0.000 0.216 90 A C 2.322 180.152 177.584 0.410 0.000 1.190 90 A CA 1.643 53.868 52.037 0.315 0.000 0.617 90 A CB -0.503 18.639 19.000 0.236 0.000 0.827 90 A HN 0.283 nan 8.150 nan 0.000 0.443 91 M N -1.862 117.901 119.600 0.271 0.000 2.089 91 M HA -0.187 4.292 4.480 -0.002 0.000 0.257 91 M C 2.179 178.678 176.300 0.332 0.000 1.071 91 M CA 2.226 57.673 55.300 0.245 0.000 1.096 91 M CB -0.603 32.087 32.600 0.150 0.000 1.330 91 M HN 0.558 nan 8.290 nan 0.000 0.403 92 F N 0.859 120.932 119.950 0.204 0.000 2.161 92 F HA -0.149 4.378 4.527 -0.002 0.000 0.300 92 F C 2.098 178.056 175.800 0.262 0.000 1.089 92 F CA 1.865 60.004 58.000 0.232 0.000 1.282 92 F CB -0.585 38.518 39.000 0.172 0.000 1.010 92 F HN 0.064 nan 8.300 nan 0.000 0.485 93 G N -1.159 107.810 108.800 0.281 0.000 2.404 93 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.214 93 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.214 93 G C 1.381 176.285 174.900 0.006 0.000 1.189 93 G CA 0.796 45.961 45.100 0.108 0.000 0.789 93 G HN 0.436 nan 8.290 nan 0.000 0.533 94 Y N -0.117 120.201 120.300 0.029 0.000 2.151 94 Y HA -0.149 4.400 4.550 -0.002 0.000 0.284 94 Y C 2.389 178.230 175.900 -0.098 0.000 1.166 94 Y CA 1.718 59.796 58.100 -0.037 0.000 1.163 94 Y CB -0.483 38.006 38.460 0.048 0.000 0.974 94 Y HN 0.265 nan 8.280 nan 0.000 0.511 95 F N -0.525 119.426 119.950 0.001 0.000 2.084 95 F HA -0.220 4.306 4.527 -0.002 0.000 0.296 95 F C 2.173 177.887 175.800 -0.142 0.000 1.111 95 F CA 1.079 59.026 58.000 -0.089 0.000 1.224 95 F CB -0.420 38.543 39.000 -0.062 0.000 0.991 95 F HN -0.072 nan 8.300 nan 0.000 0.471 96 L N 0.368 121.365 121.223 -0.377 0.000 2.261 96 L HA -0.170 4.169 4.340 -0.002 0.000 0.216 96 L C 2.097 178.805 176.870 -0.271 0.000 1.114 96 L CA 1.180 55.780 54.840 -0.401 0.000 0.777 96 L CB -0.875 40.947 42.059 -0.394 0.000 0.910 96 L HN 0.180 nan 8.230 nan 0.000 0.440 97 V N -0.747 118.999 119.914 -0.279 0.000 2.331 97 V HA -0.124 3.995 4.120 -0.002 0.000 0.242 97 V C 2.577 178.472 176.094 -0.331 0.000 1.034 97 V CA 0.958 63.099 62.300 -0.264 0.000 1.027 97 V CB -0.428 31.221 31.823 -0.289 0.000 0.667 97 V HN 0.344 nan 8.190 nan 0.000 0.457 98 R N 0.504 120.751 120.500 -0.421 0.000 2.115 98 R HA -0.119 4.220 4.340 -0.002 0.000 0.230 98 R C 2.177 178.227 176.300 -0.416 0.000 1.111 98 R CA 1.131 56.962 56.100 -0.448 0.000 0.976 98 R CB -0.381 29.631 30.300 -0.480 0.000 0.870 98 R HN 0.359 nan 8.270 nan 0.000 0.445 99 K N -0.509 119.545 120.400 -0.576 0.000 2.137 99 K HA -0.031 4.288 4.320 -0.002 0.000 0.202 99 K C 1.077 177.187 176.600 -0.816 0.000 1.052 99 K CA 1.238 57.053 56.287 -0.786 0.000 0.961 99 K CB 0.166 31.869 32.500 -1.329 0.000 0.741 99 K HN 0.141 nan 8.250 nan 0.000 0.452 100 Y N -1.960 118.148 120.300 -0.319 0.000 2.701 100 Y HA 0.468 5.017 4.550 -0.002 0.000 0.275 100 Y C -0.062 175.742 175.900 -0.160 0.000 1.133 100 Y CA -0.157 57.818 58.100 -0.208 0.000 1.241 100 Y CB 1.000 39.343 38.460 -0.196 0.000 1.389 100 Y HN -0.032 nan 8.280 nan 0.000 0.486 101 A N 0.452 123.248 122.820 -0.040 0.000 2.745 101 A HA 0.471 4.790 4.320 -0.002 0.000 0.301 101 A C -2.483 175.026 177.584 -0.126 0.000 1.188 101 A CA -1.203 50.790 52.037 -0.073 0.000 0.746 101 A CB 0.521 19.484 19.000 -0.062 0.000 1.207 101 A HN -0.014 nan 8.150 nan 0.000 0.432 102 P HA -0.170 nan 4.420 nan 0.000 0.218 102 P C 1.167 178.396 177.300 -0.118 0.000 1.149 102 P CA 1.505 64.508 63.100 -0.161 0.000 0.817 102 P CB 0.188 31.811 31.700 -0.130 0.000 0.785 103 E N 0.119 120.266 120.200 -0.087 0.000 2.333 103 E HA -0.079 4.270 4.350 -0.002 0.000 0.198 103 E C 1.373 177.929 176.600 -0.072 0.000 1.007 103 E CA 0.928 57.288 56.400 -0.066 0.000 0.845 103 E CB -0.778 28.884 29.700 -0.062 0.000 0.766 103 E HN 0.132 nan 8.360 nan 0.000 0.507 104 A N 1.572 124.337 122.820 -0.092 0.000 2.370 104 A HA 0.332 4.651 4.320 -0.002 0.000 0.238 104 A C 0.971 178.492 177.584 -0.105 0.000 1.289 104 A CA 0.106 52.090 52.037 -0.088 0.000 0.885 104 A CB -0.200 18.750 19.000 -0.083 0.000 0.961 104 A HN 0.265 nan 8.150 nan 0.000 0.499 105 G N -1.780 106.952 108.800 -0.114 0.000 2.537 105 G HA2 0.535 4.494 3.960 -0.002 0.000 0.273 105 G HA3 0.535 4.494 3.960 -0.002 0.000 0.273 105 G C 0.854 175.687 174.900 -0.111 0.000 1.189 105 G CA 0.167 45.188 45.100 -0.132 0.000 0.881 105 G HN 1.348 nan 8.290 nan 0.000 0.535 106 G N 0.026 108.724 108.800 -0.170 0.000 2.614 106 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.303 106 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.303 106 G C 1.602 176.527 174.900 0.042 0.000 1.270 106 G CA 1.277 46.214 45.100 -0.272 0.000 0.988 106 G HN 1.629 nan 8.290 nan 0.000 0.551 107 S N -0.377 115.505 115.700 0.303 0.000 2.343 107 S HA 0.286 4.755 4.470 -0.002 0.000 0.212 107 S C 2.345 176.997 174.600 0.087 0.000 1.033 107 S CA 3.119 61.525 58.200 0.343 0.000 1.004 107 S CB -0.707 62.762 63.200 0.448 0.000 0.977 107 S HN 2.824 nan 8.310 nan 0.000 0.427 108 G N -0.210 108.608 108.800 0.031 0.000 2.211 108 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.201 108 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.201 108 G C 0.812 175.670 174.900 -0.070 0.000 0.997 108 G CA 0.309 45.392 45.100 -0.028 0.000 0.652 108 G HN 0.518 nan 8.290 nan 0.000 0.500 109 I N 1.878 122.355 120.570 -0.155 0.000 2.252 109 I HA -0.039 4.130 4.170 -0.002 0.000 0.245 109 I C 0.603 176.623 176.117 -0.161 0.000 1.102 109 I CA 1.504 62.670 61.300 -0.224 0.000 1.385 109 I CB -0.822 36.882 38.000 -0.492 0.000 1.064 109 I HN 0.172 nan 8.210 nan 0.000 0.414 110 P HA -0.200 nan 4.420 nan 0.000 0.216 110 P C 1.343 178.653 177.300 0.017 0.000 1.150 110 P CA 1.593 64.701 63.100 0.013 0.000 0.837 110 P CB 0.065 31.828 31.700 0.104 0.000 0.786 111 E N -0.377 119.822 120.200 -0.002 0.000 2.150 111 E HA -0.109 4.240 4.350 -0.002 0.000 0.193 111 E C 2.000 178.596 176.600 -0.005 0.000 0.985 111 E CA 0.837 57.235 56.400 -0.003 0.000 0.814 111 E CB -0.713 28.976 29.700 -0.018 0.000 0.752 111 E HN 0.098 nan 8.360 nan 0.000 0.466 112 I N 0.806 121.368 120.570 -0.013 0.000 2.500 112 I HA -0.116 4.053 4.170 -0.002 0.000 0.252 112 I C 1.905 178.026 176.117 0.007 0.000 1.142 112 I CA 1.026 62.323 61.300 -0.005 0.000 1.451 112 I CB -0.962 37.033 38.000 -0.008 0.000 1.093 112 I HN 0.219 nan 8.210 nan 0.000 0.430 113 E N 1.052 121.255 120.200 0.006 0.000 2.085 113 E HA -0.176 4.173 4.350 -0.002 0.000 0.194 113 E C 2.285 178.902 176.600 0.028 0.000 0.994 113 E CA 1.360 57.768 56.400 0.014 0.000 0.801 113 E CB -0.301 29.419 29.700 0.033 0.000 0.743 113 E HN 0.540 nan 8.360 nan 0.000 0.453 114 G N 1.464 110.284 108.800 0.033 0.000 2.446 114 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.217 114 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.217 114 G C 1.725 176.651 174.900 0.043 0.000 1.168 114 G CA 1.058 46.180 45.100 0.037 0.000 0.771 114 G HN 0.359 nan 8.290 nan 0.000 0.551 115 A N 0.145 122.989 122.820 0.040 0.000 2.076 115 A HA 0.103 4.422 4.320 -0.002 0.000 0.220 115 A C 2.374 180.025 177.584 0.111 0.000 1.160 115 A CA 1.230 53.300 52.037 0.056 0.000 0.653 115 A CB -0.291 18.729 19.000 0.033 0.000 0.801 115 A HN 0.385 nan 8.150 nan 0.000 0.455 116 L N -0.885 120.395 121.223 0.094 0.000 2.240 116 L HA -0.021 4.318 4.340 -0.002 0.000 0.211 116 L C 1.747 178.632 176.870 0.026 0.000 1.106 116 L CA 0.667 55.568 54.840 0.103 0.000 0.793 116 L CB -0.143 41.909 42.059 -0.013 0.000 0.927 116 L HN 0.262 nan 8.230 nan 0.000 0.446 117 E N -0.413 119.814 120.200 0.046 0.000 2.465 117 E HA -0.045 4.304 4.350 -0.002 0.000 0.191 117 E C -0.406 176.251 176.600 0.095 0.000 1.053 117 E CA 0.130 56.554 56.400 0.040 0.000 0.869 117 E CB -0.004 29.717 29.700 0.035 0.000 0.977 117 E HN 0.312 nan 8.360 nan 0.000 0.483 118 D N 1.199 121.690 120.400 0.151 0.000 2.699 118 D HA -0.172 4.467 4.640 -0.002 0.000 0.239 118 D C 0.462 176.802 176.300 0.065 0.000 1.136 118 D CA 0.500 54.569 54.000 0.114 0.000 0.668 118 D CB -0.521 40.352 40.800 0.121 0.000 1.060 118 D HN 0.272 nan 8.370 nan 0.000 0.429 119 Q N -0.855 118.977 119.800 0.054 0.000 2.164 119 Q HA 0.138 4.477 4.340 -0.002 0.000 0.226 119 Q C 0.458 176.476 176.000 0.030 0.000 0.813 119 Q CA 0.289 56.114 55.803 0.036 0.000 0.978 119 Q CB 1.318 30.074 28.738 0.029 0.000 1.149 119 Q HN 0.233 nan 8.270 nan 0.000 0.489 120 R N 0.841 121.360 120.500 0.031 0.000 2.698 120 R HA 0.550 4.889 4.340 -0.002 0.000 0.275 120 R C -2.646 173.663 176.300 0.016 0.000 1.001 120 R CA -1.833 54.278 56.100 0.019 0.000 0.896 120 R CB 1.231 31.539 30.300 0.013 0.000 1.218 120 R HN -0.083 nan 8.270 nan 0.000 0.462 121 P HA 0.318 nan 4.420 nan 0.000 0.281 121 P C -0.564 176.707 177.300 -0.049 0.000 1.249 121 P CA -0.641 62.458 63.100 -0.001 0.000 0.810 121 P CB 0.873 32.581 31.700 0.014 0.000 1.008 122 V N 3.245 123.117 119.914 -0.069 0.000 2.239 122 V HA 0.280 4.399 4.120 -0.002 0.000 0.267 122 V C 0.770 176.648 176.094 -0.361 0.000 1.056 122 V CA -0.461 61.765 62.300 -0.124 0.000 0.830 122 V CB -0.212 31.595 31.823 -0.027 0.000 1.090 122 V HN 0.411 nan 8.190 nan 0.000 0.459 123 R N 4.724 124.896 120.500 -0.547 0.000 3.701 123 R HA 0.095 4.434 4.340 -0.002 0.000 0.210 123 R C 1.352 176.885 176.300 -1.278 0.000 1.598 123 R CA -0.294 55.035 56.100 -1.286 0.000 1.427 123 R CB 0.153 30.002 30.300 -0.753 0.000 1.339 123 R HN 0.942 nan 8.270 nan 0.000 0.720 124 W N 1.527 122.204 121.300 -1.038 0.000 2.342 124 W HA -0.222 4.437 4.660 -0.001 0.000 0.297 124 W C 0.754 177.077 176.519 -0.327 0.000 1.213 124 W CA 0.616 57.664 57.345 -0.494 0.000 1.251 124 W CB -1.095 28.210 29.460 -0.257 0.000 1.136 124 W HN 0.489 nan 8.180 nan 0.000 0.526 125 W N 1.743 122.617 121.300 -0.709 0.000 2.341 125 W HA -0.063 4.596 4.660 -0.002 0.000 0.283 125 W C 2.134 178.523 176.519 -0.216 0.000 1.215 125 W CA 1.731 58.729 57.345 -0.578 0.000 1.211 125 W CB -1.437 27.523 29.460 -0.833 0.000 1.131 125 W HN -0.169 nan 8.180 nan 0.000 0.552 126 R N 0.227 120.552 120.500 -0.291 0.000 2.102 126 R HA 0.059 4.398 4.340 -0.002 0.000 0.208 126 R C 2.215 178.464 176.300 -0.086 0.000 1.131 126 R CA 1.070 57.108 56.100 -0.103 0.000 1.054 126 R CB -0.592 29.661 30.300 -0.078 0.000 0.954 126 R HN 0.126 nan 8.270 nan 0.000 0.465 127 V N 2.140 121.970 119.914 -0.140 0.000 2.358 127 V HA -0.202 3.917 4.120 -0.002 0.000 0.246 127 V C 2.396 178.492 176.094 0.004 0.000 1.047 127 V CA 1.515 63.773 62.300 -0.071 0.000 1.035 127 V CB -0.592 31.170 31.823 -0.101 0.000 0.658 127 V HN 0.237 nan 8.190 nan 0.000 0.452 128 L N 0.665 121.909 121.223 0.034 0.000 1.963 128 L HA -0.172 4.167 4.340 -0.002 0.000 0.220 128 L C 0.394 177.341 176.870 0.127 0.000 1.076 128 L CA 2.317 57.200 54.840 0.071 0.000 0.772 128 L CB -2.211 39.906 42.059 0.096 0.000 0.892 128 L HN 0.368 nan 8.230 nan 0.000 0.435 129 P HA -0.093 nan 4.420 nan 0.000 0.220 129 P C 1.873 179.381 177.300 0.347 0.000 1.148 129 P CA 1.195 64.496 63.100 0.336 0.000 0.803 129 P CB 0.063 31.882 31.700 0.198 0.000 0.782 130 V N 0.514 120.516 119.914 0.146 0.000 2.323 130 V HA -0.167 3.952 4.120 -0.002 0.000 0.244 130 V C 2.746 178.902 176.094 0.104 0.000 1.041 130 V CA 1.994 64.344 62.300 0.083 0.000 1.025 130 V CB -1.004 30.819 31.823 -0.001 0.000 0.656 130 V HN 0.060 nan 8.190 nan 0.000 0.451 131 K N -0.171 120.279 120.400 0.084 0.000 2.062 131 K HA -0.096 4.223 4.320 -0.002 0.000 0.205 131 K C 1.856 178.529 176.600 0.121 0.000 1.051 131 K CA 1.411 57.728 56.287 0.050 0.000 0.941 131 K CB -0.556 31.934 32.500 -0.017 0.000 0.719 131 K HN 0.323 nan 8.250 nan 0.000 0.440 132 F N -0.024 119.929 119.950 0.006 0.000 1.988 132 F HA -0.204 4.321 4.527 -0.002 0.000 0.296 132 F C 1.657 177.509 175.800 0.088 0.000 1.178 132 F CA 1.955 59.959 58.000 0.008 0.000 1.174 132 F CB -0.506 38.361 39.000 -0.223 0.000 0.963 132 F HN 0.006 nan 8.300 nan 0.000 0.489 133 F N 0.644 120.856 119.950 0.436 0.000 2.269 133 F HA -0.031 4.495 4.527 -0.001 0.000 0.301 133 F C 2.545 178.533 175.800 0.313 0.000 1.082 133 F CA 1.134 59.342 58.000 0.346 0.000 1.360 133 F CB -1.417 37.834 39.000 0.418 0.000 1.041 133 F HN 0.136 nan 8.300 nan 0.000 0.512 134 G N -0.226 108.773 108.800 0.331 0.000 2.394 134 G HA2 -0.094 3.865 3.960 -0.002 0.000 0.215 134 G HA3 -0.094 3.865 3.960 -0.002 0.000 0.215 134 G C 2.044 177.046 174.900 0.170 0.000 1.165 134 G CA 0.733 45.939 45.100 0.177 0.000 0.784 134 G HN 0.476 nan 8.290 nan 0.000 0.535 135 G N 0.990 109.901 108.800 0.185 0.000 2.404 135 G HA2 -0.114 3.845 3.960 -0.002 0.000 0.215 135 G HA3 -0.114 3.845 3.960 -0.002 0.000 0.215 135 G C 1.739 176.712 174.900 0.121 0.000 1.174 135 G CA 0.767 46.012 45.100 0.241 0.000 0.780 135 G HN 0.325 nan 8.290 nan 0.000 0.537 136 L N 1.455 122.646 121.223 -0.054 0.000 2.151 136 L HA -0.078 4.261 4.340 -0.002 0.000 0.215 136 L C 2.955 179.812 176.870 -0.021 0.000 1.084 136 L CA 1.890 56.584 54.840 -0.243 0.000 0.764 136 L CB -0.551 41.349 42.059 -0.265 0.000 0.891 136 L HN 0.287 nan 8.230 nan 0.000 0.435 137 G N -1.920 106.969 108.800 0.148 0.000 2.404 137 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.213 137 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.213 137 G C 1.591 176.585 174.900 0.157 0.000 1.189 137 G CA 1.008 46.238 45.100 0.217 0.000 0.796 137 G HN 0.446 nan 8.290 nan 0.000 0.532 138 T N 0.278 114.916 114.554 0.141 0.000 2.770 138 T HA 0.092 4.441 4.350 -0.002 0.000 0.263 138 T C 2.447 177.202 174.700 0.092 0.000 1.039 138 T CA 0.774 62.947 62.100 0.123 0.000 1.142 138 T CB -0.298 68.620 68.868 0.083 0.000 0.868 138 T HN 0.123 nan 8.240 nan 0.000 0.435 139 L N 1.058 122.322 121.223 0.068 0.000 2.044 139 L HA 0.130 4.469 4.340 -0.002 0.000 0.205 139 L C 3.157 180.032 176.870 0.008 0.000 1.075 139 L CA 1.445 56.308 54.840 0.039 0.000 0.747 139 L CB -1.091 40.983 42.059 0.026 0.000 0.903 139 L HN 0.472 nan 8.230 nan 0.000 0.435 140 G N -0.692 108.095 108.800 -0.022 0.000 2.535 140 G HA2 -0.140 3.819 3.960 -0.002 0.000 0.218 140 G HA3 -0.140 3.819 3.960 -0.002 0.000 0.218 140 G C 1.404 176.323 174.900 0.031 0.000 1.122 140 G CA 0.661 45.756 45.100 -0.008 0.000 0.769 140 G HN 0.513 nan 8.290 nan 0.000 0.549 141 G N -0.829 107.998 108.800 0.047 0.000 2.777 141 G HA2 0.375 4.334 3.960 -0.002 0.000 0.211 141 G HA3 0.375 4.334 3.960 -0.002 0.000 0.211 141 G C 1.155 176.080 174.900 0.042 0.000 1.149 141 G CA 0.482 45.613 45.100 0.050 0.000 0.785 141 G HN 1.328 nan 8.290 nan 0.000 0.536 142 G N -0.426 108.400 108.800 0.045 0.000 2.148 142 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.203 142 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.203 142 G C 0.424 175.353 174.900 0.049 0.000 0.993 142 G CA 0.009 45.137 45.100 0.046 0.000 0.661 142 G HN 0.348 nan 8.290 nan 0.000 0.518 143 M N 0.687 120.323 119.600 0.060 0.000 2.248 143 M HA 0.273 4.752 4.480 -0.002 0.000 0.337 143 M C 1.139 177.483 176.300 0.073 0.000 1.121 143 M CA 0.039 55.383 55.300 0.075 0.000 1.155 143 M CB 1.089 33.753 32.600 0.107 0.000 1.514 143 M HN -0.085 nan 8.290 nan 0.000 0.452 144 V N 5.422 125.384 119.914 0.080 0.000 2.070 144 V HA 0.108 4.227 4.120 -0.002 0.000 0.239 144 V C 0.068 176.223 176.094 0.101 0.000 1.472 144 V CA 0.500 62.845 62.300 0.075 0.000 1.453 144 V CB -1.723 30.147 31.823 0.078 0.000 1.503 144 V HN 0.566 nan 8.190 nan 0.000 0.501 145 L N 1.567 122.842 121.223 0.087 0.000 2.415 145 L HA 0.811 5.150 4.340 -0.002 0.000 0.256 145 L C 0.638 177.551 176.870 0.071 0.000 1.010 145 L CA -0.618 54.292 54.840 0.117 0.000 0.826 145 L CB 2.171 44.324 42.059 0.156 0.000 1.405 145 L HN 0.453 nan 8.230 nan 0.000 0.410 146 G N -0.216 108.638 108.800 0.091 0.000 2.531 146 G HA2 0.461 4.420 3.960 -0.002 0.000 0.313 146 G HA3 0.461 4.420 3.960 -0.002 0.000 0.313 146 G C 0.233 175.165 174.900 0.053 0.000 1.238 146 G CA -0.406 44.727 45.100 0.055 0.000 0.994 146 G HN 0.673 nan 8.290 nan 0.000 0.493 147 R N -0.870 119.624 120.500 -0.010 0.000 2.223 147 R HA 0.050 4.389 4.340 -0.002 0.000 0.198 147 R C 2.257 178.449 176.300 -0.179 0.000 0.984 147 R CA 0.677 56.754 56.100 -0.039 0.000 1.018 147 R CB 0.186 30.461 30.300 -0.042 0.000 0.945 147 R HN 0.579 nan 8.270 nan 0.000 0.479 148 E N 0.318 120.403 120.200 -0.192 0.000 2.038 148 E HA -0.138 4.211 4.350 -0.002 0.000 0.195 148 E C 1.959 178.466 176.600 -0.154 0.000 1.000 148 E CA 1.464 57.726 56.400 -0.230 0.000 0.803 148 E CB -0.888 28.680 29.700 -0.219 0.000 0.750 148 E HN 0.350 nan 8.360 nan 0.000 0.448 149 G N 1.942 110.717 108.800 -0.042 0.000 2.672 149 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.218 149 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.218 149 G C -0.792 174.046 174.900 -0.104 0.000 1.238 149 G CA 1.478 46.569 45.100 -0.014 0.000 0.791 149 G HN 0.299 nan 8.290 nan 0.000 0.606 150 P HA -0.147 nan 4.420 nan 0.000 0.214 150 P C 2.412 179.497 177.300 -0.358 0.000 1.169 150 P CA 2.901 65.811 63.100 -0.316 0.000 0.908 150 P CB -0.575 30.783 31.700 -0.571 0.000 0.791 151 T N -3.037 111.282 114.554 -0.392 0.000 2.788 151 T HA -0.099 4.250 4.350 -0.002 0.000 0.268 151 T C 1.840 176.420 174.700 -0.200 0.000 1.044 151 T CA 1.290 63.202 62.100 -0.312 0.000 1.139 151 T CB -1.495 67.198 68.868 -0.292 0.000 0.867 151 T HN -0.124 nan 8.240 nan 0.000 0.454 152 V N 1.661 121.470 119.914 -0.174 0.000 2.283 152 V HA -0.163 3.956 4.120 -0.002 0.000 0.243 152 V C 2.944 178.988 176.094 -0.085 0.000 1.039 152 V CA 1.967 64.201 62.300 -0.110 0.000 1.016 152 V CB -0.877 30.894 31.823 -0.088 0.000 0.650 152 V HN 0.495 nan 8.190 nan 0.000 0.449 153 Q N -0.218 119.526 119.800 -0.094 0.000 2.030 153 Q HA -0.218 4.121 4.340 -0.002 0.000 0.204 153 Q C 2.249 178.202 176.000 -0.078 0.000 0.986 153 Q CA 2.256 58.012 55.803 -0.077 0.000 0.843 153 Q CB -0.235 28.457 28.738 -0.077 0.000 0.904 153 Q HN 0.622 nan 8.270 nan 0.000 0.420 154 I N 0.166 120.674 120.570 -0.103 0.000 2.208 154 I HA -0.260 3.909 4.170 -0.002 0.000 0.245 154 I C 2.292 178.362 176.117 -0.078 0.000 1.097 154 I CA 1.228 62.477 61.300 -0.086 0.000 1.363 154 I CB -0.623 37.312 38.000 -0.108 0.000 1.051 154 I HN 0.410 nan 8.210 nan 0.000 0.413 155 G N 0.286 109.032 108.800 -0.090 0.000 2.418 155 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.217 155 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.217 155 G C 1.707 176.567 174.900 -0.067 0.000 1.158 155 G CA 0.836 45.889 45.100 -0.078 0.000 0.771 155 G HN 0.504 nan 8.290 nan 0.000 0.545 156 G N 1.109 109.876 108.800 -0.055 0.000 2.421 156 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.216 156 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.216 156 G C 1.728 176.598 174.900 -0.050 0.000 1.171 156 G CA 1.213 46.287 45.100 -0.043 0.000 0.775 156 G HN 0.456 nan 8.290 nan 0.000 0.543 157 N N 0.611 119.284 118.700 -0.046 0.000 2.166 157 N HA -0.072 4.667 4.740 -0.002 0.000 0.186 157 N C 2.049 177.500 175.510 -0.099 0.000 1.019 157 N CA 0.672 53.705 53.050 -0.028 0.000 0.856 157 N CB -0.158 38.338 38.487 0.014 0.000 0.993 157 N HN 0.192 nan 8.380 nan 0.000 0.426 158 I N 0.288 120.794 120.570 -0.108 0.000 2.264 158 I HA -0.126 4.043 4.170 -0.002 0.000 0.248 158 I C 2.198 178.207 176.117 -0.179 0.000 1.111 158 I CA 1.230 62.437 61.300 -0.155 0.000 1.382 158 I CB -1.540 36.392 38.000 -0.114 0.000 1.060 158 I HN 0.180 nan 8.210 nan 0.000 0.418 159 G N 0.126 108.848 108.800 -0.131 0.000 2.448 159 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.218 159 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.218 159 G C 1.882 176.708 174.900 -0.123 0.000 1.135 159 G CA 0.439 45.471 45.100 -0.114 0.000 0.784 159 G HN 0.244 nan 8.290 nan 0.000 0.543 160 R N -0.072 120.345 120.500 -0.138 0.000 2.075 160 R HA 0.229 4.568 4.340 -0.002 0.000 0.226 160 R C 2.413 178.522 176.300 -0.318 0.000 1.114 160 R CA 1.163 57.191 56.100 -0.120 0.000 0.972 160 R CB -0.555 29.743 30.300 -0.004 0.000 0.869 160 R HN 0.312 nan 8.270 nan 0.000 0.437 161 M N 0.364 119.544 119.600 -0.699 0.000 2.082 161 M HA -0.167 4.312 4.480 -0.002 0.000 0.258 161 M C 1.772 177.731 176.300 -0.568 0.000 1.069 161 M CA 2.360 56.900 55.300 -1.267 0.000 1.102 161 M CB -0.054 31.797 32.600 -1.248 0.000 1.336 161 M HN 0.181 nan 8.290 nan 0.000 0.404 162 V N -1.263 118.473 119.914 -0.296 0.000 2.809 162 V HA -0.151 3.968 4.120 -0.002 0.000 0.256 162 V C 2.108 178.211 176.094 0.015 0.000 1.080 162 V CA 1.236 63.493 62.300 -0.071 0.000 1.102 162 V CB -1.215 30.548 31.823 -0.101 0.000 0.705 162 V HN 0.582 nan 8.190 nan 0.000 0.475 163 L N 0.969 122.165 121.223 -0.044 0.000 2.027 163 L HA -0.026 4.313 4.340 -0.002 0.000 0.206 163 L C 2.238 179.154 176.870 0.078 0.000 1.074 163 L CA 2.315 57.166 54.840 0.019 0.000 0.745 163 L CB -0.676 41.382 42.059 -0.002 0.000 0.898 163 L HN 0.225 nan 8.230 nan 0.000 0.433 164 D N -0.019 120.423 120.400 0.069 0.000 2.077 164 D HA -0.183 4.456 4.640 -0.002 0.000 0.193 164 D C 2.331 178.710 176.300 0.132 0.000 0.989 164 D CA 2.027 56.126 54.000 0.164 0.000 0.831 164 D CB -0.301 40.721 40.800 0.370 0.000 0.979 164 D HN 0.398 nan 8.370 nan 0.000 0.449 165 I N -0.073 120.540 120.570 0.072 0.000 2.185 165 I HA -0.294 3.875 4.170 -0.002 0.000 0.246 165 I C 1.854 177.956 176.117 -0.024 0.000 1.088 165 I CA 1.150 62.466 61.300 0.027 0.000 1.347 165 I CB -0.188 37.797 38.000 -0.024 0.000 1.041 165 I HN -0.071 nan 8.210 nan 0.000 0.415 166 F N 0.476 120.422 119.950 -0.007 0.000 2.797 166 F HA 0.191 4.717 4.527 -0.001 0.000 0.302 166 F C 0.765 176.575 175.800 0.016 0.000 1.130 166 F CA -0.030 57.975 58.000 0.008 0.000 1.387 166 F CB 0.007 39.014 39.000 0.010 0.000 1.107 166 F HN -0.097 nan 8.300 nan 0.000 0.577 167 R N 1.208 121.799 120.500 0.152 0.000 3.059 167 R HA -0.197 4.142 4.340 -0.002 0.000 0.251 167 R C -0.933 175.430 176.300 0.105 0.000 0.886 167 R CA 0.061 56.223 56.100 0.105 0.000 0.634 167 R CB -2.126 28.214 30.300 0.065 0.000 1.282 167 R HN 0.284 nan 8.270 nan 0.000 0.487 168 L N 1.046 122.330 121.223 0.102 0.000 2.312 168 L HA 0.340 4.679 4.340 -0.002 0.000 0.281 168 L C 0.694 177.590 176.870 0.044 0.000 1.070 168 L CA -0.129 54.753 54.840 0.071 0.000 0.805 168 L CB 1.255 43.346 42.059 0.054 0.000 1.174 168 L HN 0.143 nan 8.230 nan 0.000 0.434 169 K N 1.962 122.383 120.400 0.034 0.000 2.207 169 K HA 0.770 5.089 4.320 -0.002 0.000 0.255 169 K C -0.432 176.175 176.600 0.012 0.000 0.941 169 K CA -0.243 56.058 56.287 0.022 0.000 0.825 169 K CB 1.768 34.283 32.500 0.024 0.000 1.119 169 K HN 0.763 nan 8.250 nan 0.000 0.430 170 G N 2.424 111.225 108.800 0.002 0.000 2.375 170 G HA2 -0.116 3.843 3.960 -0.002 0.000 0.663 170 G HA3 -0.116 3.843 3.960 -0.002 0.000 0.663 170 G C -0.371 174.513 174.900 -0.026 0.000 1.391 170 G CA -0.733 44.365 45.100 -0.002 0.000 0.949 170 G HN 0.637 nan 8.290 nan 0.000 0.646 171 D N -0.319 120.071 120.400 -0.017 0.000 2.183 171 D HA -0.040 4.599 4.640 -0.002 0.000 0.203 171 D C 1.928 178.227 176.300 -0.002 0.000 0.969 171 D CA 1.287 55.267 54.000 -0.035 0.000 0.842 171 D CB 0.205 41.029 40.800 0.040 0.000 0.957 171 D HN 0.647 nan 8.370 nan 0.000 0.484 172 E N 0.861 121.073 120.200 0.021 0.000 2.017 172 E HA -0.160 4.189 4.350 -0.002 0.000 0.193 172 E C 2.044 178.652 176.600 0.013 0.000 0.997 172 E CA 1.064 57.482 56.400 0.029 0.000 0.804 172 E CB 0.027 29.741 29.700 0.023 0.000 0.757 172 E HN 0.120 nan 8.360 nan 0.000 0.448 173 A N 1.182 123.999 122.820 -0.005 0.000 1.978 173 A HA -0.223 4.096 4.320 -0.002 0.000 0.220 173 A C 2.147 179.710 177.584 -0.035 0.000 1.170 173 A CA 1.709 53.738 52.037 -0.013 0.000 0.636 173 A CB -0.544 18.453 19.000 -0.006 0.000 0.810 173 A HN 0.217 nan 8.150 nan 0.000 0.448 174 R N -1.590 118.860 120.500 -0.082 0.000 2.073 174 R HA -0.101 4.238 4.340 -0.002 0.000 0.229 174 R C 1.955 178.166 176.300 -0.148 0.000 1.120 174 R CA 1.697 57.709 56.100 -0.148 0.000 0.967 174 R CB -0.291 29.855 30.300 -0.255 0.000 0.862 174 R HN 0.751 nan 8.270 nan 0.000 0.436 175 H N -1.469 117.589 119.070 -0.022 0.000 2.384 175 H HA 0.071 4.626 4.556 -0.002 0.000 0.300 175 H C 1.881 177.186 175.328 -0.040 0.000 1.057 175 H CA 1.527 57.554 56.048 -0.035 0.000 1.370 175 H CB 0.316 30.047 29.762 -0.052 0.000 1.417 175 H HN 0.150 nan 8.280 nan 0.000 0.527 176 T N 1.314 115.915 114.554 0.079 0.000 2.643 176 T HA -0.121 4.228 4.350 -0.002 0.000 0.264 176 T C 2.062 176.767 174.700 0.008 0.000 1.045 176 T CA 1.020 63.138 62.100 0.030 0.000 1.155 176 T CB -0.277 68.602 68.868 0.018 0.000 0.863 176 T HN 0.196 nan 8.240 nan 0.000 0.420 177 L N 0.316 121.535 121.223 -0.008 0.000 2.191 177 L HA -0.005 4.334 4.340 -0.002 0.000 0.212 177 L C 2.446 179.297 176.870 -0.031 0.000 1.103 177 L CA 0.795 55.617 54.840 -0.030 0.000 0.769 177 L CB -0.597 41.434 42.059 -0.047 0.000 0.908 177 L HN 0.230 nan 8.230 nan 0.000 0.438 178 L N -0.074 121.142 121.223 -0.011 0.000 2.109 178 L HA -0.056 4.283 4.340 -0.002 0.000 0.207 178 L C 2.615 179.484 176.870 -0.002 0.000 1.086 178 L CA 1.482 56.319 54.840 -0.005 0.000 0.760 178 L CB -0.312 41.760 42.059 0.022 0.000 0.910 178 L HN 0.119 nan 8.230 nan 0.000 0.437 179 A N -1.081 121.743 122.820 0.006 0.000 1.854 179 A HA -0.176 4.143 4.320 -0.002 0.000 0.214 179 A C 2.391 179.969 177.584 -0.011 0.000 1.192 179 A CA 1.926 53.961 52.037 -0.004 0.000 0.611 179 A CB -1.320 17.674 19.000 -0.009 0.000 0.832 179 A HN 0.540 nan 8.150 nan 0.000 0.442 180 T N -2.165 112.379 114.554 -0.016 0.000 2.759 180 T HA -0.051 4.298 4.350 -0.002 0.000 0.269 180 T C 1.879 176.560 174.700 -0.032 0.000 1.042 180 T CA 1.946 64.032 62.100 -0.023 0.000 1.140 180 T CB -0.980 67.874 68.868 -0.024 0.000 0.864 180 T HN 0.435 nan 8.240 nan 0.000 0.455 181 G N 1.014 109.791 108.800 -0.038 0.000 2.422 181 G HA2 0.098 4.057 3.960 -0.002 0.000 0.218 181 G HA3 0.098 4.057 3.960 -0.002 0.000 0.218 181 G C 1.920 176.795 174.900 -0.041 0.000 1.146 181 G CA 0.792 45.862 45.100 -0.049 0.000 0.769 181 G HN 0.789 nan 8.290 nan 0.000 0.547 182 A N 0.784 123.592 122.820 -0.021 0.000 1.968 182 A HA 0.430 4.749 4.320 -0.002 0.000 0.217 182 A C 2.703 180.299 177.584 0.020 0.000 1.169 182 A CA 1.940 53.977 52.037 0.001 0.000 0.638 182 A CB -0.466 18.552 19.000 0.030 0.000 0.812 182 A HN 0.625 nan 8.150 nan 0.000 0.446 183 A N -0.089 122.740 122.820 0.014 0.000 1.855 183 A HA 0.315 4.634 4.320 -0.002 0.000 0.213 183 A C 2.475 180.039 177.584 -0.034 0.000 1.195 183 A CA 1.571 53.616 52.037 0.014 0.000 0.610 183 A CB -1.114 17.882 19.000 -0.007 0.000 0.837 183 A HN 1.041 nan 8.150 nan 0.000 0.444 184 A N -0.360 122.434 122.820 -0.045 0.000 2.032 184 A HA 0.046 4.365 4.320 -0.002 0.000 0.221 184 A C 2.259 179.799 177.584 -0.073 0.000 1.165 184 A CA 2.020 54.024 52.037 -0.054 0.000 0.645 184 A CB -1.215 17.757 19.000 -0.046 0.000 0.807 184 A HN 0.712 nan 8.150 nan 0.000 0.453 185 G N -0.533 108.219 108.800 -0.080 0.000 2.394 185 G HA2 -0.044 3.915 3.960 -0.002 0.000 0.215 185 G HA3 -0.044 3.915 3.960 -0.002 0.000 0.215 185 G C 1.478 176.282 174.900 -0.160 0.000 1.165 185 G CA 1.015 46.046 45.100 -0.115 0.000 0.784 185 G HN 0.476 nan 8.290 nan 0.000 0.535 186 L N 1.053 122.189 121.223 -0.145 0.000 2.072 186 L HA 0.273 4.612 4.340 -0.002 0.000 0.205 186 L C 3.117 179.908 176.870 -0.131 0.000 1.079 186 L CA 1.878 56.606 54.840 -0.186 0.000 0.752 186 L CB -0.494 41.434 42.059 -0.218 0.000 0.906 186 L HN 0.226 nan 8.230 nan 0.000 0.436 187 A N -0.062 122.695 122.820 -0.105 0.000 1.859 187 A HA -0.238 4.081 4.320 -0.002 0.000 0.217 187 A C 2.364 179.836 177.584 -0.187 0.000 1.198 187 A CA 2.108 54.084 52.037 -0.102 0.000 0.629 187 A CB -1.388 17.563 19.000 -0.082 0.000 0.830 187 A HN 0.547 nan 8.150 nan 0.000 0.446 188 A N -0.983 121.718 122.820 -0.198 0.000 2.216 188 A HA 0.333 4.652 4.320 -0.002 0.000 0.214 188 A C 2.138 179.451 177.584 -0.452 0.000 1.160 188 A CA 1.584 53.452 52.037 -0.282 0.000 0.725 188 A CB -0.638 18.308 19.000 -0.090 0.000 0.784 188 A HN 1.038 nan 8.150 nan 0.000 0.472 189 A N -2.029 120.537 122.820 -0.424 0.000 2.081 189 A HA 0.400 4.719 4.320 -0.002 0.000 0.214 189 A C 1.352 178.462 177.584 -0.789 0.000 1.158 189 A CA 0.750 52.439 52.037 -0.580 0.000 0.724 189 A CB -0.186 18.412 19.000 -0.671 0.000 0.826 189 A HN 0.490 nan 8.150 nan 0.000 0.463 190 F N -2.000 117.747 119.950 -0.339 0.000 2.798 190 F HA 0.238 4.764 4.527 -0.002 0.000 0.328 190 F C 0.775 176.378 175.800 -0.328 0.000 1.098 190 F CA -0.038 57.789 58.000 -0.287 0.000 1.172 190 F CB 0.563 39.438 39.000 -0.207 0.000 1.072 190 F HN 0.203 nan 8.300 nan 0.000 0.555 191 N N 1.771 120.249 118.700 -0.370 0.000 2.740 191 N HA -0.218 4.521 4.740 -0.002 0.000 0.248 191 N C -0.633 174.843 175.510 -0.057 0.000 1.062 191 N CA 0.714 53.627 53.050 -0.228 0.000 0.704 191 N CB -0.965 37.517 38.487 -0.008 0.000 0.968 191 N HN 0.313 nan 8.380 nan 0.000 0.547 192 A N 0.229 123.019 122.820 -0.050 0.000 2.802 192 A HA 0.524 4.843 4.320 -0.002 0.000 0.344 192 A C -1.091 176.466 177.584 -0.046 0.000 1.215 192 A CA -0.870 51.150 52.037 -0.029 0.000 0.821 192 A CB 1.059 20.046 19.000 -0.021 0.000 1.099 192 A HN 0.186 nan 8.150 nan 0.000 0.479 193 P HA -0.191 nan 4.420 nan 0.000 0.214 193 P C 1.546 178.780 177.300 -0.111 0.000 1.163 193 P CA 1.041 64.102 63.100 -0.066 0.000 0.883 193 P CB 0.136 31.817 31.700 -0.032 0.000 0.788 194 L N -0.663 120.506 121.223 -0.090 0.000 2.056 194 L HA -0.106 4.233 4.340 -0.002 0.000 0.207 194 L C 2.841 179.666 176.870 -0.075 0.000 1.078 194 L CA 1.557 56.334 54.840 -0.104 0.000 0.749 194 L CB -1.381 40.645 42.059 -0.056 0.000 0.901 194 L HN -0.061 nan 8.230 nan 0.000 0.433 195 A N 0.647 123.436 122.820 -0.051 0.000 1.940 195 A HA -0.134 4.185 4.320 -0.002 0.000 0.219 195 A C 2.415 180.002 177.584 0.005 0.000 1.176 195 A CA 1.772 53.794 52.037 -0.025 0.000 0.631 195 A CB -1.236 17.724 19.000 -0.067 0.000 0.814 195 A HN 0.445 nan 8.150 nan 0.000 0.446 196 G N 0.283 109.064 108.800 -0.031 0.000 2.480 196 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.216 196 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.216 196 G C 1.529 176.439 174.900 0.016 0.000 1.200 196 G CA 1.227 46.323 45.100 -0.008 0.000 0.782 196 G HN 0.492 nan 8.290 nan 0.000 0.554 197 I N 0.317 120.832 120.570 -0.091 0.000 2.179 197 I HA -0.119 4.050 4.170 -0.002 0.000 0.242 197 I C 2.646 178.729 176.117 -0.058 0.000 1.088 197 I CA 0.481 61.696 61.300 -0.142 0.000 1.357 197 I CB -0.289 37.494 38.000 -0.362 0.000 1.051 197 I HN 0.068 nan 8.210 nan 0.000 0.409 198 L N 0.056 121.264 121.223 -0.024 0.000 2.046 198 L HA -0.229 4.110 4.340 -0.002 0.000 0.208 198 L C 2.576 179.490 176.870 0.073 0.000 1.077 198 L CA 1.977 56.827 54.840 0.017 0.000 0.747 198 L CB -1.217 40.858 42.059 0.027 0.000 0.896 198 L HN 0.244 nan 8.230 nan 0.000 0.432 199 F N 0.518 120.459 119.950 -0.016 0.000 2.161 199 F HA -0.257 4.269 4.527 -0.002 0.000 0.300 199 F C 2.321 178.130 175.800 0.015 0.000 1.089 199 F CA 1.253 59.268 58.000 0.026 0.000 1.282 199 F CB -0.185 38.838 39.000 0.037 0.000 1.010 199 F HN -0.030 nan 8.300 nan 0.000 0.485 200 I N 1.116 121.620 120.570 -0.111 0.000 2.142 200 I HA -0.226 3.943 4.170 -0.002 0.000 0.240 200 I C 2.050 178.053 176.117 -0.190 0.000 1.078 200 I CA 1.512 62.690 61.300 -0.204 0.000 1.343 200 I CB -0.764 37.192 38.000 -0.073 0.000 1.046 200 I HN 0.305 nan 8.210 nan 0.000 0.405 201 I N -1.884 118.620 120.570 -0.110 0.000 3.764 201 I HA 0.151 4.320 4.170 -0.002 0.000 0.312 201 I C 1.318 177.383 176.117 -0.086 0.000 1.340 201 I CA 0.619 61.869 61.300 -0.082 0.000 1.195 201 I CB -0.425 37.553 38.000 -0.036 0.000 1.068 201 I HN 0.357 nan 8.210 nan 0.000 0.421 202 E N 0.740 120.860 120.200 -0.133 0.000 2.783 202 E HA -0.052 4.297 4.350 -0.002 0.000 0.205 202 E C 1.565 178.071 176.600 -0.156 0.000 0.955 202 E CA 0.233 56.567 56.400 -0.109 0.000 1.594 202 E CB 0.056 29.730 29.700 -0.044 0.000 1.686 202 E HN 0.323 nan 8.360 nan 0.000 0.902 203 E N 0.010 120.039 120.200 -0.285 0.000 2.152 203 E HA 0.103 4.452 4.350 -0.002 0.000 0.195 203 E C 1.817 178.243 176.600 -0.289 0.000 0.934 203 E CA 1.144 57.364 56.400 -0.301 0.000 0.869 203 E CB 0.127 29.534 29.700 -0.488 0.000 0.842 203 E HN 0.181 nan 8.360 nan 0.000 0.472 204 M N 0.631 119.991 119.600 -0.400 0.000 2.100 204 M HA 0.069 4.548 4.480 -0.002 0.000 0.254 204 M C 1.043 177.242 176.300 -0.168 0.000 1.106 204 M CA 0.718 55.861 55.300 -0.261 0.000 1.127 204 M CB -1.301 31.135 32.600 -0.274 0.000 1.263 204 M HN 0.062 nan 8.290 nan 0.000 0.427 205 R N 2.692 123.092 120.500 -0.167 0.000 4.508 205 R HA -0.128 4.211 4.340 -0.002 0.000 0.117 205 R C -2.217 174.006 176.300 -0.129 0.000 0.253 205 R CA -0.342 55.674 56.100 -0.141 0.000 0.827 205 R CB -1.224 29.005 30.300 -0.119 0.000 1.086 205 R HN 0.115 nan 8.270 nan 0.000 0.271 206 P HA -0.214 nan 4.420 nan 0.000 0.255 206 P C -0.032 177.229 177.300 -0.064 0.000 1.104 206 P CA 0.506 63.581 63.100 -0.043 0.000 0.764 206 P CB 0.134 31.787 31.700 -0.078 0.000 0.682 207 C N 2.371 121.592 119.300 -0.133 0.000 2.578 207 C HA 0.189 4.648 4.460 -0.002 0.000 0.285 207 C C 1.206 175.633 174.990 -0.940 0.000 1.297 207 C CA 0.290 58.937 59.018 -0.618 0.000 1.690 207 C CB -1.758 25.441 27.740 -0.902 0.000 1.773 207 C HN 0.604 nan 8.230 nan 0.000 0.594 208 F N -1.009 118.936 119.950 -0.008 0.000 2.743 208 F HA 0.253 4.779 4.527 -0.001 0.000 0.356 208 F C 1.014 176.822 175.800 0.013 0.000 0.845 208 F CA -0.357 57.644 58.000 0.002 0.000 1.058 208 F CB 0.041 39.040 39.000 -0.002 0.000 0.952 208 F HN -0.173 nan 8.300 nan 0.000 0.620 209 R N -0.220 120.386 120.500 0.178 0.000 2.803 209 R HA 0.406 4.745 4.340 -0.002 0.000 0.276 209 R C -1.460 174.897 176.300 0.095 0.000 0.978 209 R CA -0.961 55.211 56.100 0.120 0.000 0.939 209 R CB 2.290 32.645 30.300 0.092 0.000 1.179 209 R HN -0.013 nan 8.270 nan 0.000 0.472 210 Y N 1.054 121.350 120.300 -0.006 0.000 2.300 210 Y HA 0.270 4.819 4.550 -0.002 0.000 0.328 210 Y C 0.091 175.973 175.900 -0.031 0.000 1.270 210 Y CA 0.254 58.340 58.100 -0.024 0.000 1.352 210 Y CB 1.059 39.511 38.460 -0.013 0.000 1.286 210 Y HN 0.737 nan 8.280 nan 0.000 0.536 211 T N 1.278 115.177 114.554 -1.091 0.000 2.669 211 T HA 0.438 4.787 4.350 -0.002 0.000 0.283 211 T C -0.170 174.025 174.700 -0.843 0.000 1.019 211 T CA -0.837 60.828 62.100 -0.724 0.000 1.039 211 T CB 0.937 69.519 68.868 -0.477 0.000 1.374 211 T HN 0.621 nan 8.240 nan 0.000 0.523 212 L N -0.003 121.002 121.223 -0.363 0.000 2.808 212 L HA 0.447 4.786 4.340 -0.002 0.000 0.246 212 L C 0.170 176.982 176.870 -0.096 0.000 1.153 212 L CA -0.440 54.291 54.840 -0.183 0.000 0.956 212 L CB -0.084 41.951 42.059 -0.040 0.000 1.270 212 L HN 0.554 nan 8.230 nan 0.000 0.528 213 I N 0.999 121.497 120.570 -0.120 0.000 3.136 213 I HA -0.192 3.977 4.170 -0.002 0.000 0.298 213 I C 1.018 177.122 176.117 -0.022 0.000 1.232 213 I CA 0.648 61.912 61.300 -0.059 0.000 1.379 213 I CB 0.043 37.992 38.000 -0.085 0.000 1.411 213 I HN 0.117 nan 8.210 nan 0.000 0.532 214 S N 6.727 122.434 115.700 0.011 0.000 2.439 214 S HA 0.341 4.810 4.470 -0.002 0.000 0.282 214 S C 1.243 175.877 174.600 0.056 0.000 1.170 214 S CA -0.812 57.411 58.200 0.039 0.000 1.054 214 S CB 0.445 63.668 63.200 0.038 0.000 0.956 214 S HN 0.473 nan 8.310 nan 0.000 0.490 215 I N 5.066 125.683 120.570 0.078 0.000 2.163 215 I HA -0.156 4.013 4.170 -0.002 0.000 0.243 215 I C 2.548 178.780 176.117 0.191 0.000 1.085 215 I CA 1.153 62.524 61.300 0.118 0.000 1.347 215 I CB -0.380 37.700 38.000 0.133 0.000 1.044 215 I HN 0.621 nan 8.210 nan 0.000 0.408 216 K N 1.579 122.067 120.400 0.148 0.000 2.103 216 K HA -0.215 4.104 4.320 -0.002 0.000 0.207 216 K C 2.228 178.910 176.600 0.136 0.000 1.048 216 K CA 1.656 58.019 56.287 0.125 0.000 0.930 216 K CB -0.139 32.383 32.500 0.037 0.000 0.716 216 K HN 0.385 nan 8.250 nan 0.000 0.444 217 A N 0.501 123.377 122.820 0.094 0.000 1.929 217 A HA -0.063 4.256 4.320 -0.002 0.000 0.216 217 A C 2.191 179.818 177.584 0.071 0.000 1.176 217 A CA 1.295 53.371 52.037 0.065 0.000 0.628 217 A CB -0.428 18.594 19.000 0.036 0.000 0.816 217 A HN 0.161 nan 8.150 nan 0.000 0.444 218 V N -1.170 118.789 119.914 0.075 0.000 2.332 218 V HA -0.270 3.849 4.120 -0.002 0.000 0.248 218 V C 2.227 178.348 176.094 0.045 0.000 1.055 218 V CA 2.085 64.406 62.300 0.034 0.000 1.038 218 V CB -1.057 30.766 31.823 0.001 0.000 0.651 218 V HN 0.560 nan 8.190 nan 0.000 0.450 219 F N 0.213 120.158 119.950 -0.008 0.000 2.027 219 F HA -0.281 4.245 4.527 -0.002 0.000 0.297 219 F C 2.259 178.050 175.800 -0.015 0.000 1.129 219 F CA 2.402 60.397 58.000 -0.008 0.000 1.195 219 F CB -0.337 38.660 39.000 -0.006 0.000 0.960 219 F HN 0.041 nan 8.300 nan 0.000 0.485 220 I N -0.392 120.309 120.570 0.219 0.000 2.151 220 I HA -0.333 3.836 4.170 -0.002 0.000 0.243 220 I C 2.744 178.886 176.117 0.042 0.000 1.080 220 I CA 1.565 62.925 61.300 0.100 0.000 1.339 220 I CB -1.417 36.607 38.000 0.041 0.000 1.039 220 I HN 0.283 nan 8.210 nan 0.000 0.409 221 G N 0.678 109.488 108.800 0.017 0.000 2.446 221 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.217 221 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.217 221 G C 1.708 176.600 174.900 -0.014 0.000 1.168 221 G CA 1.133 46.222 45.100 -0.018 0.000 0.771 221 G HN 0.269 nan 8.290 nan 0.000 0.551 222 V N 1.279 121.184 119.914 -0.014 0.000 2.343 222 V HA -0.180 3.939 4.120 -0.002 0.000 0.247 222 V C 2.808 178.904 176.094 0.003 0.000 1.051 222 V CA 1.664 63.946 62.300 -0.032 0.000 1.036 222 V CB -0.464 31.303 31.823 -0.095 0.000 0.654 222 V HN 0.413 nan 8.190 nan 0.000 0.451 223 I N -0.681 119.915 120.570 0.044 0.000 2.099 223 I HA -0.303 3.866 4.170 -0.002 0.000 0.239 223 I C 2.627 178.770 176.117 0.043 0.000 1.066 223 I CA 1.610 62.949 61.300 0.064 0.000 1.324 223 I CB -0.480 37.578 38.000 0.097 0.000 1.037 223 I HN 0.243 nan 8.210 nan 0.000 0.401 224 M N 0.615 120.230 119.600 0.024 0.000 2.108 224 M HA -0.175 4.304 4.480 -0.002 0.000 0.261 224 M C 2.664 178.985 176.300 0.034 0.000 1.066 224 M CA 2.247 57.556 55.300 0.014 0.000 1.107 224 M CB -1.675 30.913 32.600 -0.020 0.000 1.356 224 M HN 0.459 nan 8.290 nan 0.000 0.406 225 S N -1.161 114.555 115.700 0.026 0.000 2.406 225 S HA -0.070 4.399 4.470 -0.002 0.000 0.228 225 S C 1.899 176.552 174.600 0.088 0.000 1.020 225 S CA 1.515 59.740 58.200 0.042 0.000 0.965 225 S CB -0.675 62.527 63.200 0.004 0.000 0.798 225 S HN 0.445 nan 8.310 nan 0.000 0.488 226 T N 2.585 117.182 114.554 0.072 0.000 2.812 226 T HA 0.203 4.552 4.350 -0.002 0.000 0.264 226 T C 1.695 176.491 174.700 0.160 0.000 1.042 226 T CA 1.238 63.403 62.100 0.109 0.000 1.140 226 T CB -0.414 68.490 68.868 0.060 0.000 0.870 226 T HN 0.372 nan 8.240 nan 0.000 0.445 227 I N 1.070 121.706 120.570 0.109 0.000 2.163 227 I HA -0.216 3.954 4.170 -0.002 0.000 0.243 227 I C 2.546 178.741 176.117 0.130 0.000 1.085 227 I CA 1.121 62.478 61.300 0.094 0.000 1.347 227 I CB -0.329 37.704 38.000 0.055 0.000 1.044 227 I HN 0.205 nan 8.210 nan 0.000 0.408 228 M N -0.582 119.112 119.600 0.156 0.000 2.149 228 M HA -0.273 4.206 4.480 -0.002 0.000 0.261 228 M C 2.455 178.956 176.300 0.335 0.000 1.064 228 M CA 1.966 57.407 55.300 0.235 0.000 1.102 228 M CB -1.345 31.368 32.600 0.188 0.000 1.369 228 M HN 0.293 nan 8.290 nan 0.000 0.408 229 Y N 0.873 121.266 120.300 0.156 0.000 2.242 229 Y HA -0.143 4.405 4.550 -0.002 0.000 0.291 229 Y C 2.399 178.409 175.900 0.184 0.000 1.137 229 Y CA 1.722 59.915 58.100 0.155 0.000 1.181 229 Y CB -0.167 38.342 38.460 0.081 0.000 0.989 229 Y HN 0.123 nan 8.280 nan 0.000 0.527 230 R N -0.337 120.267 120.500 0.174 0.000 2.193 230 R HA 0.003 4.342 4.340 -0.002 0.000 0.213 230 R C 2.140 178.488 176.300 0.081 0.000 1.055 230 R CA 1.126 57.283 56.100 0.095 0.000 0.995 230 R CB -0.176 30.199 30.300 0.124 0.000 0.893 230 R HN 0.404 nan 8.270 nan 0.000 0.459 231 I N -0.339 120.257 120.570 0.044 0.000 2.394 231 I HA -0.227 3.942 4.170 -0.002 0.000 0.251 231 I C 1.030 177.012 176.117 -0.224 0.000 1.136 231 I CA 1.444 62.660 61.300 -0.140 0.000 1.425 231 I CB 0.092 37.936 38.000 -0.260 0.000 1.079 231 I HN 0.099 nan 8.210 nan 0.000 0.425 232 F N -0.885 119.075 119.950 0.018 0.000 2.694 232 F HA 0.174 4.701 4.527 -0.001 0.000 0.292 232 F C 1.287 176.975 175.800 -0.186 0.000 1.121 232 F CA 0.170 58.140 58.000 -0.050 0.000 1.352 232 F CB 0.131 39.092 39.000 -0.066 0.000 1.107 232 F HN -0.061 nan 8.300 nan 0.000 0.597 233 N N 0.016 118.628 118.700 -0.146 0.000 2.480 233 N HA 0.076 4.815 4.740 -0.002 0.000 0.281 233 N C -0.517 174.862 175.510 -0.218 0.000 1.381 233 N CA -0.056 52.795 53.050 -0.331 0.000 0.903 233 N CB 0.133 38.159 38.487 -0.769 0.000 1.274 233 N HN 0.399 nan 8.380 nan 0.000 0.505 234 H N -0.381 118.620 119.070 -0.114 0.000 2.581 234 H HA 0.267 4.822 4.556 -0.001 0.000 0.369 234 H C 0.544 175.852 175.328 -0.033 0.000 1.351 234 H CA -0.093 55.920 56.048 -0.058 0.000 1.434 234 H CB 0.583 30.314 29.762 -0.052 0.000 1.558 234 H HN -0.125 nan 8.280 nan 0.000 0.608 235 E N -2.345 117.911 120.200 0.093 0.000 3.547 235 E HA -0.206 4.143 4.350 -0.002 0.000 0.300 235 E C -0.652 175.947 176.600 -0.001 0.000 0.857 235 E CA 1.041 57.465 56.400 0.041 0.000 1.039 235 E CB -1.987 27.735 29.700 0.036 0.000 1.524 235 E HN 0.401 nan 8.360 nan 0.000 0.457 236 V N -0.848 119.064 119.914 -0.004 0.000 2.711 236 V HA 0.717 4.836 4.120 -0.002 0.000 0.304 236 V C -0.968 175.148 176.094 0.037 0.000 1.097 236 V CA -0.106 62.198 62.300 0.006 0.000 0.906 236 V CB 1.892 33.706 31.823 -0.015 0.000 1.015 236 V HN 0.309 nan 8.190 nan 0.000 0.427 237 A N 5.654 128.498 122.820 0.040 0.000 2.303 237 A HA 0.708 5.027 4.320 -0.002 0.000 0.317 237 A C 0.748 178.352 177.584 0.032 0.000 1.149 237 A CA -0.538 51.527 52.037 0.048 0.000 0.822 237 A CB 1.165 20.183 19.000 0.031 0.000 1.131 237 A HN 1.024 nan 8.150 nan 0.000 0.493 238 L N 0.913 122.144 121.223 0.013 0.000 2.046 238 L HA -0.027 4.312 4.340 -0.002 0.000 0.208 238 L C 0.004 176.821 176.870 -0.089 0.000 1.077 238 L CA 1.310 56.115 54.840 -0.059 0.000 0.747 238 L CB -0.404 41.533 42.059 -0.204 0.000 0.896 238 L HN 0.592 nan 8.230 nan 0.000 0.432 239 I N -1.023 119.494 120.570 -0.087 0.000 2.447 239 I HA 0.265 4.434 4.170 -0.002 0.000 0.287 239 I C -0.956 175.157 176.117 -0.008 0.000 1.023 239 I CA -0.472 60.803 61.300 -0.041 0.000 1.083 239 I CB 2.099 40.063 38.000 -0.060 0.000 1.245 239 I HN -0.146 nan 8.210 nan 0.000 0.434 240 D N 4.871 125.278 120.400 0.013 0.000 2.278 240 D HA 0.470 5.109 4.640 -0.002 0.000 0.245 240 D C -0.117 176.195 176.300 0.019 0.000 1.052 240 D CA -0.173 53.835 54.000 0.015 0.000 0.834 240 D CB 2.932 43.742 40.800 0.017 0.000 1.194 240 D HN 0.281 nan 8.370 nan 0.000 0.481 241 V N 1.939 121.862 119.914 0.016 0.000 3.380 241 V HA 0.292 4.411 4.120 -0.002 0.000 0.277 241 V C 0.875 176.977 176.094 0.014 0.000 1.590 241 V CA 0.597 62.908 62.300 0.019 0.000 1.019 241 V CB 0.232 32.068 31.823 0.022 0.000 0.828 241 V HN 0.903 nan 8.190 nan 0.000 0.427 242 G N 1.434 110.241 108.800 0.011 0.000 2.796 242 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.226 242 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.226 242 G C -0.433 174.472 174.900 0.008 0.000 1.381 242 G CA -0.333 44.773 45.100 0.010 0.000 0.867 242 G HN 0.352 nan 8.290 nan 0.000 0.552 243 K N 0.359 120.764 120.400 0.007 0.000 2.285 243 K HA 0.467 4.786 4.320 -0.002 0.000 0.286 243 K C 0.882 177.483 176.600 0.003 0.000 1.072 243 K CA -0.692 55.598 56.287 0.005 0.000 0.913 243 K CB 0.688 33.192 32.500 0.007 0.000 1.067 243 K HN 0.314 nan 8.250 nan 0.000 0.479 244 L N 1.530 122.751 121.223 -0.003 0.000 2.490 244 L HA 0.245 4.584 4.340 -0.002 0.000 0.245 244 L C 1.115 177.979 176.870 -0.011 0.000 1.185 244 L CA 0.050 54.887 54.840 -0.005 0.000 0.813 244 L CB 1.057 43.110 42.059 -0.011 0.000 1.233 244 L HN 0.747 nan 8.230 nan 0.000 0.489 245 S N -0.761 114.934 115.700 -0.008 0.000 2.608 245 S HA 0.187 4.656 4.470 -0.002 0.000 0.261 245 S C -0.312 174.266 174.600 -0.036 0.000 1.314 245 S CA -0.794 57.400 58.200 -0.011 0.000 0.992 245 S CB 0.914 64.120 63.200 0.010 0.000 0.935 245 S HN 0.461 nan 8.310 nan 0.000 0.564 246 D N 0.423 120.800 120.400 -0.038 0.000 2.433 246 D HA 0.622 5.261 4.640 -0.002 0.000 0.255 246 D C -0.383 175.873 176.300 -0.074 0.000 1.226 246 D CA -0.024 53.937 54.000 -0.065 0.000 1.015 246 D CB 0.454 41.222 40.800 -0.053 0.000 1.091 246 D HN 0.851 nan 8.370 nan 0.000 0.527 247 A N 0.709 123.465 122.820 -0.108 0.000 2.340 247 A HA 0.572 4.891 4.320 -0.002 0.000 0.297 247 A C -2.477 175.061 177.584 -0.077 0.000 1.195 247 A CA -1.248 50.726 52.037 -0.106 0.000 0.769 247 A CB 0.468 19.334 19.000 -0.225 0.000 1.163 247 A HN 0.296 nan 8.150 nan 0.000 0.472 248 P HA 0.193 nan 4.420 nan 0.000 0.269 248 P C 0.976 178.270 177.300 -0.011 0.000 1.215 248 P CA -0.391 62.706 63.100 -0.004 0.000 0.780 248 P CB 0.581 32.308 31.700 0.044 0.000 0.898 249 L N 1.172 122.397 121.223 0.004 0.000 2.127 249 L HA -0.173 4.166 4.340 -0.002 0.000 0.211 249 L C 1.798 178.701 176.870 0.055 0.000 1.089 249 L CA 1.390 56.240 54.840 0.015 0.000 0.757 249 L CB -0.852 41.217 42.059 0.017 0.000 0.899 249 L HN 0.522 nan 8.230 nan 0.000 0.434 250 N N -1.551 117.192 118.700 0.071 0.000 2.501 250 N HA -0.114 4.625 4.740 -0.002 0.000 0.195 250 N C 1.121 176.642 175.510 0.018 0.000 1.213 250 N CA 0.807 53.933 53.050 0.126 0.000 0.864 250 N CB 0.010 38.623 38.487 0.210 0.000 0.999 250 N HN 0.053 nan 8.380 nan 0.000 0.454 251 T N -0.287 114.206 114.554 -0.101 0.000 3.004 251 T HA 0.350 4.699 4.350 -0.002 0.000 0.266 251 T C 1.477 176.097 174.700 -0.134 0.000 0.986 251 T CA -0.342 61.538 62.100 -0.367 0.000 0.902 251 T CB 0.148 68.814 68.868 -0.335 0.000 1.118 251 T HN 0.073 nan 8.240 nan 0.000 0.522 252 L N 1.010 122.281 121.223 0.080 0.000 2.093 252 L HA -0.014 4.325 4.340 -0.002 0.000 0.208 252 L C 2.712 179.698 176.870 0.194 0.000 1.085 252 L CA 1.261 56.207 54.840 0.176 0.000 0.755 252 L CB -0.547 41.565 42.059 0.090 0.000 0.904 252 L HN 0.584 nan 8.230 nan 0.000 0.435 253 W N 0.564 121.893 121.300 0.049 0.000 2.350 253 W HA -0.190 4.469 4.660 -0.002 0.000 0.289 253 W C 1.655 178.216 176.519 0.071 0.000 1.215 253 W CA 0.599 57.970 57.345 0.044 0.000 1.236 253 W CB -1.211 28.251 29.460 0.003 0.000 1.130 253 W HN 0.169 nan 8.180 nan 0.000 0.541 254 L N -0.218 120.533 121.223 -0.788 0.000 2.201 254 L HA -0.204 4.135 4.340 -0.002 0.000 0.212 254 L C 2.554 179.324 176.870 -0.167 0.000 1.105 254 L CA 1.431 55.869 54.840 -0.670 0.000 0.775 254 L CB -0.883 40.676 42.059 -0.834 0.000 0.913 254 L HN -0.136 nan 8.230 nan 0.000 0.440 255 Y N -1.197 119.110 120.300 0.013 0.000 2.337 255 Y HA -0.186 4.364 4.550 -0.001 0.000 0.293 255 Y C 2.216 178.104 175.900 -0.020 0.000 1.123 255 Y CA 0.536 58.662 58.100 0.043 0.000 1.201 255 Y CB -0.111 38.335 38.460 -0.023 0.000 1.011 255 Y HN 0.056 nan 8.280 nan 0.000 0.545 256 L N 0.250 121.558 121.223 0.142 0.000 2.046 256 L HA -0.172 4.167 4.340 -0.002 0.000 0.208 256 L C 1.977 178.881 176.870 0.055 0.000 1.077 256 L CA 1.633 56.534 54.840 0.102 0.000 0.747 256 L CB -0.749 41.396 42.059 0.142 0.000 0.896 256 L HN 0.222 nan 8.230 nan 0.000 0.432 257 I N -1.154 119.441 120.570 0.041 0.000 2.286 257 I HA -0.285 3.884 4.170 -0.002 0.000 0.248 257 I C 2.322 178.313 176.117 -0.211 0.000 1.115 257 I CA 1.050 62.349 61.300 -0.000 0.000 1.392 257 I CB -0.256 37.810 38.000 0.110 0.000 1.065 257 I HN 0.327 nan 8.210 nan 0.000 0.418 258 L N 0.954 121.926 121.223 -0.418 0.000 2.083 258 L HA -0.083 4.256 4.340 -0.002 0.000 0.209 258 L C 2.320 179.141 176.870 -0.082 0.000 1.083 258 L CA 2.112 56.602 54.840 -0.583 0.000 0.752 258 L CB -1.101 40.631 42.059 -0.546 0.000 0.899 258 L HN 0.180 nan 8.230 nan 0.000 0.433 259 G N -0.188 108.599 108.800 -0.021 0.000 2.421 259 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.216 259 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.216 259 G C 1.617 176.566 174.900 0.081 0.000 1.171 259 G CA 1.203 46.330 45.100 0.045 0.000 0.775 259 G HN 0.480 nan 8.290 nan 0.000 0.543 260 I N 0.640 121.235 120.570 0.042 0.000 2.151 260 I HA -0.202 3.968 4.170 -0.002 0.000 0.243 260 I C 2.674 178.814 176.117 0.039 0.000 1.080 260 I CA 1.007 62.338 61.300 0.051 0.000 1.339 260 I CB -0.238 37.791 38.000 0.047 0.000 1.039 260 I HN 0.147 nan 8.210 nan 0.000 0.409 261 I N -0.243 120.312 120.570 -0.025 0.000 2.286 261 I HA -0.289 3.880 4.170 -0.002 0.000 0.248 261 I C 2.296 178.359 176.117 -0.090 0.000 1.115 261 I CA 1.615 62.860 61.300 -0.092 0.000 1.392 261 I CB -0.298 37.562 38.000 -0.233 0.000 1.065 261 I HN 0.102 nan 8.210 nan 0.000 0.418 262 F N 0.696 120.597 119.950 -0.082 0.000 2.325 262 F HA -0.042 4.484 4.527 -0.001 0.000 0.299 262 F C 2.472 178.290 175.800 0.030 0.000 1.090 262 F CA 1.246 59.233 58.000 -0.022 0.000 1.392 262 F CB -0.645 38.316 39.000 -0.065 0.000 1.053 262 F HN 0.006 nan 8.300 nan 0.000 0.521 263 G N 0.595 109.504 108.800 0.181 0.000 2.422 263 G HA2 -0.189 3.771 3.960 -0.002 0.000 0.218 263 G HA3 -0.189 3.771 3.960 -0.002 0.000 0.218 263 G C 1.636 176.586 174.900 0.084 0.000 1.140 263 G CA 1.075 46.242 45.100 0.112 0.000 0.775 263 G HN 0.515 nan 8.290 nan 0.000 0.545 264 I N -3.507 117.113 120.570 0.084 0.000 2.480 264 I HA 0.277 4.446 4.170 -0.002 0.000 0.251 264 I C 2.396 178.541 176.117 0.046 0.000 1.124 264 I CA 0.650 61.985 61.300 0.059 0.000 1.444 264 I CB -0.262 37.774 38.000 0.060 0.000 1.098 264 I HN 0.008 nan 8.210 nan 0.000 0.428 265 F N 2.555 122.458 119.950 -0.078 0.000 2.234 265 F HA 0.211 4.737 4.527 -0.002 0.000 0.296 265 F C 2.368 178.114 175.800 -0.091 0.000 1.089 265 F CA 1.179 59.109 58.000 -0.116 0.000 1.343 265 F CB -0.553 38.357 39.000 -0.149 0.000 1.040 265 F HN 0.101 nan 8.300 nan 0.000 0.498 266 G N 1.773 110.627 108.800 0.090 0.000 2.631 266 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.219 266 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.219 266 G C -0.598 174.251 174.900 -0.086 0.000 1.214 266 G CA 1.202 46.325 45.100 0.040 0.000 0.785 266 G HN 0.337 nan 8.290 nan 0.000 0.596 267 P HA -0.002 nan 4.420 nan 0.000 0.219 267 P C 1.987 179.110 177.300 -0.294 0.000 1.150 267 P CA 0.894 63.901 63.100 -0.155 0.000 0.814 267 P CB -0.077 31.559 31.700 -0.107 0.000 0.787 268 I N -1.662 118.635 120.570 -0.454 0.000 2.315 268 I HA -0.198 3.971 4.170 -0.002 0.000 0.248 268 I C 2.426 177.832 176.117 -1.186 0.000 1.117 268 I CA 1.131 61.958 61.300 -0.788 0.000 1.404 268 I CB -0.626 36.882 38.000 -0.821 0.000 1.071 268 I HN -0.184 nan 8.210 nan 0.000 0.419 269 F N 2.128 121.386 119.950 -1.155 0.000 2.234 269 F HA -0.182 4.344 4.527 -0.001 0.000 0.299 269 F C 2.167 177.734 175.800 -0.389 0.000 1.087 269 F CA 1.467 58.979 58.000 -0.813 0.000 1.340 269 F CB -0.324 38.327 39.000 -0.581 0.000 1.031 269 F HN 0.065 nan 8.300 nan 0.000 0.500 270 N N 0.596 119.117 118.700 -0.298 0.000 2.188 270 N HA -0.138 4.601 4.740 -0.002 0.000 0.184 270 N C 1.794 177.179 175.510 -0.208 0.000 1.018 270 N CA 1.084 54.004 53.050 -0.218 0.000 0.858 270 N CB -0.297 38.117 38.487 -0.122 0.000 0.989 270 N HN 0.321 nan 8.380 nan 0.000 0.426 271 K N -0.420 119.822 120.400 -0.263 0.000 2.002 271 K HA -0.118 4.202 4.320 -0.002 0.000 0.209 271 K C 1.780 178.376 176.600 -0.008 0.000 1.048 271 K CA 1.067 57.266 56.287 -0.146 0.000 0.930 271 K CB -0.118 32.272 32.500 -0.182 0.000 0.714 271 K HN 0.221 nan 8.250 nan 0.000 0.438 272 W N 0.248 121.419 121.300 -0.216 0.000 2.358 272 W HA -0.125 4.534 4.660 -0.002 0.000 0.303 272 W C 2.142 178.522 176.519 -0.232 0.000 1.208 272 W CA 0.148 57.361 57.345 -0.220 0.000 1.274 272 W CB -1.309 28.000 29.460 -0.251 0.000 1.138 272 W HN -0.062 nan 8.180 nan 0.000 0.515 273 V N 0.986 120.825 119.914 -0.125 0.000 2.287 273 V HA -0.284 3.835 4.120 -0.002 0.000 0.248 273 V C 2.169 178.278 176.094 0.026 0.000 1.053 273 V CA 1.872 64.116 62.300 -0.093 0.000 1.027 273 V CB -0.568 31.145 31.823 -0.184 0.000 0.646 273 V HN 0.059 nan 8.190 nan 0.000 0.447 274 L N 0.086 121.317 121.223 0.014 0.000 1.988 274 L HA -0.011 4.328 4.340 -0.002 0.000 0.207 274 L C 2.758 179.645 176.870 0.027 0.000 1.071 274 L CA 1.794 56.654 54.840 0.033 0.000 0.744 274 L CB -1.488 40.583 42.059 0.020 0.000 0.893 274 L HN 0.467 nan 8.230 nan 0.000 0.433 275 G N -0.383 108.437 108.800 0.033 0.000 2.469 275 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.220 275 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.220 275 G C 1.526 176.430 174.900 0.007 0.000 1.136 275 G CA 0.941 46.057 45.100 0.028 0.000 0.759 275 G HN 0.155 nan 8.290 nan 0.000 0.562 276 M N 0.155 119.762 119.600 0.012 0.000 2.349 276 M HA 0.141 4.621 4.480 -0.002 0.000 0.266 276 M C 2.551 178.850 176.300 -0.001 0.000 1.076 276 M CA 0.899 56.194 55.300 -0.008 0.000 1.126 276 M CB -0.320 32.278 32.600 -0.003 0.000 1.392 276 M HN 0.286 nan 8.290 nan 0.000 0.440 277 Q N -0.166 119.647 119.800 0.021 0.000 2.135 277 Q HA -0.203 4.136 4.340 -0.002 0.000 0.204 277 Q C 1.364 177.378 176.000 0.022 0.000 0.981 277 Q CA 1.560 57.383 55.803 0.033 0.000 0.856 277 Q CB -0.140 28.626 28.738 0.046 0.000 0.902 277 Q HN 0.502 nan 8.270 nan 0.000 0.425 278 D N 0.618 121.016 120.400 -0.003 0.000 2.091 278 D HA -0.132 4.507 4.640 -0.002 0.000 0.199 278 D C 1.841 178.115 176.300 -0.044 0.000 0.980 278 D CA 0.666 54.652 54.000 -0.024 0.000 0.831 278 D CB -0.334 40.448 40.800 -0.030 0.000 0.987 278 D HN 0.133 nan 8.370 nan 0.000 0.460 279 L N 0.369 121.558 121.223 -0.056 0.000 2.127 279 L HA -0.130 4.209 4.340 -0.002 0.000 0.211 279 L C 2.069 178.857 176.870 -0.137 0.000 1.089 279 L CA 0.928 55.718 54.840 -0.084 0.000 0.757 279 L CB 0.004 42.018 42.059 -0.075 0.000 0.899 279 L HN 0.008 nan 8.230 nan 0.000 0.434 280 L N -1.987 119.148 121.223 -0.147 0.000 2.446 280 L HA -0.119 4.220 4.340 -0.002 0.000 0.219 280 L C 2.154 178.669 176.870 -0.591 0.000 1.116 280 L CA 0.382 55.068 54.840 -0.256 0.000 0.844 280 L CB -0.380 41.601 42.059 -0.130 0.000 0.970 280 L HN 0.294 nan 8.230 nan 0.000 0.457 281 H N 0.139 118.905 119.070 -0.508 0.000 2.428 281 H HA -0.036 4.519 4.556 -0.002 0.000 0.296 281 H C 2.355 177.330 175.328 -0.589 0.000 1.062 281 H CA 1.216 56.886 56.048 -0.631 0.000 1.350 281 H CB 0.327 29.945 29.762 -0.240 0.000 1.403 281 H HN 0.057 nan 8.280 nan 0.000 0.533 282 R N -0.593 119.757 120.500 -0.250 0.000 2.096 282 R HA -0.093 4.246 4.340 -0.002 0.000 0.235 282 R C 2.261 178.397 176.300 -0.273 0.000 1.127 282 R CA 1.201 57.189 56.100 -0.187 0.000 0.968 282 R CB -0.191 30.037 30.300 -0.120 0.000 0.861 282 R HN 0.171 nan 8.270 nan 0.000 0.440 283 V N 0.799 120.473 119.914 -0.400 0.000 2.392 283 V HA -0.259 3.860 4.120 -0.002 0.000 0.249 283 V C 1.757 177.676 176.094 -0.291 0.000 1.059 283 V CA 2.336 64.441 62.300 -0.325 0.000 1.051 283 V CB -0.504 31.140 31.823 -0.299 0.000 0.658 283 V HN 0.568 nan 8.190 nan 0.000 0.455 284 H N -1.946 116.963 119.070 -0.269 0.000 2.855 284 H HA 0.454 5.009 4.556 -0.002 0.000 0.259 284 H C 1.665 176.889 175.328 -0.174 0.000 0.972 284 H CA 0.439 56.345 56.048 -0.235 0.000 1.213 284 H CB -0.226 29.340 29.762 -0.325 0.000 1.451 284 H HN 0.283 nan 8.280 nan 0.000 0.484 285 G N 0.219 108.925 108.800 -0.157 0.000 2.166 285 G HA2 -0.146 3.814 3.960 -0.002 0.000 0.260 285 G HA3 -0.146 3.814 3.960 -0.002 0.000 0.260 285 G C 1.327 176.298 174.900 0.119 0.000 0.986 285 G CA 0.978 46.084 45.100 0.010 0.000 0.683 285 G HN 1.561 nan 8.290 nan 0.000 0.527 286 G N -1.199 107.676 108.800 0.126 0.000 2.176 286 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.232 286 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.232 286 G C 0.124 175.217 174.900 0.322 0.000 0.986 286 G CA 0.708 46.010 45.100 0.337 0.000 0.643 286 G HN 1.639 nan 8.290 nan 0.000 0.522 287 N N 0.706 119.552 118.700 0.244 0.000 2.420 287 N HA 0.354 5.093 4.740 -0.002 0.000 0.262 287 N C 1.496 177.128 175.510 0.203 0.000 1.144 287 N CA 0.069 53.225 53.050 0.178 0.000 0.952 287 N CB 0.431 38.992 38.487 0.124 0.000 1.081 287 N HN 0.290 nan 8.380 nan 0.000 0.480 288 I N 2.546 123.197 120.570 0.135 0.000 2.657 288 I HA -0.263 3.906 4.170 -0.002 0.000 0.261 288 I C 1.033 177.226 176.117 0.127 0.000 1.212 288 I CA 1.160 62.522 61.300 0.103 0.000 1.453 288 I CB 0.154 38.182 38.000 0.047 0.000 1.092 288 I HN 0.557 nan 8.210 nan 0.000 0.452 289 T N 0.250 114.869 114.554 0.109 0.000 2.901 289 T HA -0.051 4.298 4.350 -0.002 0.000 0.252 289 T C 1.771 176.524 174.700 0.088 0.000 1.035 289 T CA 0.898 63.046 62.100 0.080 0.000 1.142 289 T CB 0.061 68.959 68.868 0.051 0.000 0.869 289 T HN 0.295 nan 8.240 nan 0.000 0.442 290 K N 0.150 120.611 120.400 0.103 0.000 2.217 290 K HA -0.041 4.278 4.320 -0.002 0.000 0.202 290 K C 2.014 178.684 176.600 0.115 0.000 1.051 290 K CA 0.641 56.985 56.287 0.095 0.000 0.952 290 K CB 0.018 32.575 32.500 0.094 0.000 0.736 290 K HN 0.314 nan 8.250 nan 0.000 0.453 291 W N 1.346 122.585 121.300 -0.101 0.000 2.380 291 W HA -0.138 4.521 4.660 -0.002 0.000 0.317 291 W C 1.752 178.140 176.519 -0.217 0.000 1.196 291 W CA 0.988 58.152 57.345 -0.302 0.000 1.307 291 W CB -0.599 28.596 29.460 -0.441 0.000 1.157 291 W HN -0.234 nan 8.180 nan 0.000 0.483 292 V N 1.242 121.274 119.914 0.197 0.000 2.392 292 V HA -0.314 3.805 4.120 -0.002 0.000 0.249 292 V C 2.459 178.544 176.094 -0.014 0.000 1.059 292 V CA 1.750 64.104 62.300 0.091 0.000 1.051 292 V CB -1.115 30.794 31.823 0.144 0.000 0.658 292 V HN 0.108 nan 8.190 nan 0.000 0.455 293 L N -1.118 120.113 121.223 0.013 0.000 2.056 293 L HA -0.183 4.156 4.340 -0.002 0.000 0.207 293 L C 2.491 179.340 176.870 -0.034 0.000 1.078 293 L CA 1.855 56.696 54.840 0.000 0.000 0.749 293 L CB -0.392 41.679 42.059 0.020 0.000 0.901 293 L HN 0.340 nan 8.230 nan 0.000 0.433 294 M N -0.565 119.005 119.600 -0.051 0.000 2.175 294 M HA -0.119 4.360 4.480 -0.002 0.000 0.264 294 M C 2.109 178.284 176.300 -0.207 0.000 1.063 294 M CA 1.949 57.202 55.300 -0.078 0.000 1.119 294 M CB -0.490 32.087 32.600 -0.038 0.000 1.377 294 M HN 0.299 nan 8.290 nan 0.000 0.415 295 G N -0.481 108.037 108.800 -0.470 0.000 2.442 295 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.219 295 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.219 295 G C 1.380 175.977 174.900 -0.505 0.000 1.141 295 G CA 0.964 45.360 45.100 -1.174 0.000 0.763 295 G HN 0.610 nan 8.290 nan 0.000 0.554 296 G N 0.682 109.341 108.800 -0.236 0.000 2.448 296 G HA2 0.161 4.120 3.960 -0.002 0.000 0.218 296 G HA3 0.161 4.120 3.960 -0.002 0.000 0.218 296 G C 1.961 176.828 174.900 -0.054 0.000 1.135 296 G CA 1.327 46.392 45.100 -0.059 0.000 0.784 296 G HN 0.617 nan 8.290 nan 0.000 0.543 297 A N 0.799 123.605 122.820 -0.023 0.000 1.898 297 A HA 0.109 4.428 4.320 -0.002 0.000 0.216 297 A C 2.351 179.880 177.584 -0.092 0.000 1.181 297 A CA 1.105 53.171 52.037 0.050 0.000 0.620 297 A CB -0.284 18.772 19.000 0.094 0.000 0.819 297 A HN 0.356 nan 8.150 nan 0.000 0.442 298 I N -0.321 120.200 120.570 -0.082 0.000 2.163 298 I HA -0.151 4.018 4.170 -0.002 0.000 0.240 298 I C 2.769 178.831 176.117 -0.090 0.000 1.081 298 I CA 1.125 62.391 61.300 -0.057 0.000 1.353 298 I CB -0.791 37.216 38.000 0.012 0.000 1.054 298 I HN 0.362 nan 8.210 nan 0.000 0.407 299 G N 0.638 109.403 108.800 -0.059 0.000 2.469 299 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.219 299 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.219 299 G C 1.725 176.502 174.900 -0.205 0.000 1.150 299 G CA 0.997 46.072 45.100 -0.042 0.000 0.763 299 G HN 0.520 nan 8.290 nan 0.000 0.561 300 G N 0.584 109.106 108.800 -0.464 0.000 2.408 300 G HA2 -0.093 3.866 3.960 -0.002 0.000 0.217 300 G HA3 -0.093 3.866 3.960 -0.002 0.000 0.217 300 G C 1.726 176.026 174.900 -1.000 0.000 1.150 300 G CA 0.951 45.428 45.100 -1.038 0.000 0.776 300 G HN 0.441 nan 8.290 nan 0.000 0.542 301 L N 0.600 121.431 121.223 -0.654 0.000 2.131 301 L HA -0.006 4.333 4.340 -0.002 0.000 0.210 301 L C 2.658 179.456 176.870 -0.121 0.000 1.092 301 L CA 1.381 56.067 54.840 -0.258 0.000 0.759 301 L CB -0.675 41.325 42.059 -0.098 0.000 0.903 301 L HN 0.245 nan 8.230 nan 0.000 0.435 302 C N -0.239 118.993 119.300 -0.113 0.000 2.453 302 C HA 0.003 4.462 4.460 -0.002 0.000 0.277 302 C C 2.762 177.748 174.990 -0.007 0.000 1.262 302 C CA 0.652 59.653 59.018 -0.028 0.000 1.718 302 C CB -1.878 25.860 27.740 -0.002 0.000 2.031 302 C HN 0.725 nan 8.230 nan 0.000 0.480 303 G N -0.144 108.629 108.800 -0.044 0.000 2.448 303 G HA2 -0.166 3.793 3.960 -0.002 0.000 0.219 303 G HA3 -0.166 3.793 3.960 -0.002 0.000 0.219 303 G C 1.605 176.528 174.900 0.038 0.000 1.127 303 G CA 0.537 45.637 45.100 0.001 0.000 0.766 303 G HN 0.532 nan 8.290 nan 0.000 0.552 304 L N -0.342 120.887 121.223 0.010 0.000 2.044 304 L HA 0.216 4.555 4.340 -0.002 0.000 0.205 304 L C 2.733 179.684 176.870 0.135 0.000 1.075 304 L CA 0.759 55.644 54.840 0.075 0.000 0.747 304 L CB -0.085 42.035 42.059 0.102 0.000 0.903 304 L HN 0.156 nan 8.230 nan 0.000 0.435 305 L N -0.742 120.543 121.223 0.103 0.000 2.156 305 L HA -0.065 4.274 4.340 -0.002 0.000 0.208 305 L C 2.092 179.047 176.870 0.141 0.000 1.095 305 L CA 0.878 55.792 54.840 0.124 0.000 0.770 305 L CB -0.784 41.329 42.059 0.091 0.000 0.914 305 L HN 0.378 nan 8.230 nan 0.000 0.439 306 G N -1.716 107.163 108.800 0.131 0.000 3.028 306 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.205 306 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.205 306 G C 0.821 175.842 174.900 0.201 0.000 1.182 306 G CA 0.181 45.362 45.100 0.135 0.000 0.860 306 G HN 0.336 nan 8.290 nan 0.000 0.507 307 F N -0.697 119.286 119.950 0.055 0.000 2.244 307 F HA 0.092 4.618 4.527 -0.002 0.000 0.272 307 F C 2.122 177.968 175.800 0.076 0.000 0.882 307 F CA 0.581 58.617 58.000 0.059 0.000 1.101 307 F CB 0.170 39.197 39.000 0.046 0.000 1.097 307 F HN 0.000 nan 8.300 nan 0.000 0.762 308 V N -0.595 119.504 119.914 0.307 0.000 3.041 308 V HA 0.462 4.581 4.120 -0.002 0.000 0.260 308 V C 0.527 176.694 176.094 0.122 0.000 1.105 308 V CA 1.012 63.442 62.300 0.217 0.000 1.125 308 V CB -0.827 31.140 31.823 0.241 0.000 0.730 308 V HN 0.502 nan 8.190 nan 0.000 0.479 309 A N -0.292 122.598 122.820 0.117 0.000 3.068 309 A HA 0.612 4.931 4.320 -0.002 0.000 0.269 309 A C -1.876 175.775 177.584 0.111 0.000 1.259 309 A CA -0.301 51.802 52.037 0.110 0.000 0.938 309 A CB 0.247 19.359 19.000 0.187 0.000 1.433 309 A HN 0.249 nan 8.150 nan 0.000 0.664 310 P HA -0.172 nan 4.420 nan 0.000 0.220 310 P C 1.721 179.078 177.300 0.095 0.000 1.144 310 P CA 1.913 65.061 63.100 0.080 0.000 0.800 310 P CB 0.303 32.033 31.700 0.051 0.000 0.772 311 A N -0.397 122.487 122.820 0.107 0.000 1.969 311 A HA -0.156 4.163 4.320 -0.002 0.000 0.218 311 A C 2.233 179.869 177.584 0.087 0.000 1.169 311 A CA 2.206 54.304 52.037 0.102 0.000 0.635 311 A CB -1.812 17.233 19.000 0.074 0.000 0.810 311 A HN 0.346 nan 8.150 nan 0.000 0.445 312 T N -3.403 111.217 114.554 0.110 0.000 2.951 312 T HA 0.088 4.437 4.350 -0.002 0.000 0.268 312 T C 1.190 175.925 174.700 0.058 0.000 1.073 312 T CA 1.225 63.373 62.100 0.079 0.000 1.134 312 T CB -0.251 68.675 68.868 0.098 0.000 0.884 312 T HN 0.298 nan 8.240 nan 0.000 0.479 313 S N -0.734 115.009 115.700 0.070 0.000 2.768 313 S HA 0.654 5.123 4.470 -0.002 0.000 0.300 313 S C 0.520 175.154 174.600 0.057 0.000 1.122 313 S CA 0.256 58.492 58.200 0.060 0.000 0.995 313 S CB 0.694 63.933 63.200 0.066 0.000 1.195 313 S HN 1.456 nan 8.310 nan 0.000 0.547 314 G N -0.145 108.685 108.800 0.050 0.000 2.814 314 G HA2 -0.026 3.933 3.960 -0.002 0.000 0.677 314 G HA3 -0.026 3.933 3.960 -0.002 0.000 0.677 314 G C 0.790 175.697 174.900 0.011 0.000 1.429 314 G CA -0.016 45.108 45.100 0.040 0.000 0.868 314 G HN 1.438 nan 8.290 nan 0.000 0.553 315 G N -0.781 108.006 108.800 -0.021 0.000 2.476 315 G HA2 0.326 4.285 3.960 -0.002 0.000 0.218 315 G HA3 0.326 4.285 3.960 -0.002 0.000 0.218 315 G C 2.040 176.823 174.900 -0.195 0.000 1.164 315 G CA 2.485 47.510 45.100 -0.124 0.000 0.768 315 G HN 2.779 nan 8.290 nan 0.000 0.560 316 G N -1.430 107.305 108.800 -0.109 0.000 2.284 316 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.201 316 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.201 316 G C 1.024 175.980 174.900 0.093 0.000 0.998 316 G CA 0.532 45.615 45.100 -0.030 0.000 0.651 316 G HN 0.240 nan 8.290 nan 0.000 0.489 317 F N 2.571 122.601 119.950 0.133 0.000 2.333 317 F HA 0.026 4.553 4.527 -0.001 0.000 0.300 317 F C 2.373 178.245 175.800 0.121 0.000 1.083 317 F CA 1.198 59.278 58.000 0.133 0.000 1.395 317 F CB -0.509 38.574 39.000 0.137 0.000 1.056 317 F HN 0.237 nan 8.300 nan 0.000 0.529 318 N N 1.029 119.898 118.700 0.283 0.000 2.120 318 N HA -0.153 4.586 4.740 -0.002 0.000 0.188 318 N C 1.928 177.562 175.510 0.208 0.000 1.024 318 N CA 1.710 54.884 53.050 0.207 0.000 0.852 318 N CB -0.675 37.909 38.487 0.162 0.000 1.003 318 N HN 0.412 nan 8.380 nan 0.000 0.424 319 L N -1.759 119.609 121.223 0.241 0.000 2.591 319 L HA 0.314 4.653 4.340 -0.002 0.000 0.228 319 L C 1.823 178.886 176.870 0.321 0.000 1.133 319 L CA 0.316 55.350 54.840 0.323 0.000 0.880 319 L CB -0.264 42.005 42.059 0.349 0.000 1.033 319 L HN -0.110 nan 8.230 nan 0.000 0.450 320 I N 0.948 121.673 120.570 0.258 0.000 2.113 320 I HA -0.099 4.070 4.170 -0.002 0.000 0.238 320 I C -0.120 176.097 176.117 0.166 0.000 1.070 320 I CA 1.281 62.716 61.300 0.224 0.000 1.332 320 I CB -1.403 36.736 38.000 0.231 0.000 1.044 320 I HN 0.239 nan 8.210 nan 0.000 0.402 321 P HA -0.153 nan 4.420 nan 0.000 0.216 321 P C 1.811 179.130 177.300 0.032 0.000 1.150 321 P CA 1.606 64.748 63.100 0.071 0.000 0.837 321 P CB -0.056 31.679 31.700 0.058 0.000 0.786 322 I N -0.883 119.696 120.570 0.016 0.000 2.252 322 I HA -0.226 3.943 4.170 -0.002 0.000 0.245 322 I C 2.327 178.319 176.117 -0.208 0.000 1.102 322 I CA 1.448 62.650 61.300 -0.164 0.000 1.385 322 I CB -0.839 37.000 38.000 -0.268 0.000 1.064 322 I HN -0.084 nan 8.210 nan 0.000 0.414 323 A N 0.604 123.493 122.820 0.114 0.000 1.898 323 A HA -0.165 4.154 4.320 -0.002 0.000 0.216 323 A C 2.392 180.069 177.584 0.155 0.000 1.181 323 A CA 2.266 54.482 52.037 0.298 0.000 0.620 323 A CB -1.058 18.201 19.000 0.431 0.000 0.819 323 A HN 0.378 nan 8.150 nan 0.000 0.442 324 T N 0.506 115.129 114.554 0.114 0.000 2.788 324 T HA -0.016 4.333 4.350 -0.002 0.000 0.268 324 T C 2.067 176.801 174.700 0.057 0.000 1.044 324 T CA 1.427 63.581 62.100 0.090 0.000 1.139 324 T CB -0.388 68.524 68.868 0.074 0.000 0.867 324 T HN 0.570 nan 8.240 nan 0.000 0.454 325 A N 0.593 123.424 122.820 0.019 0.000 2.172 325 A HA 0.421 4.740 4.320 -0.002 0.000 0.216 325 A C 1.942 179.523 177.584 -0.005 0.000 1.154 325 A CA 1.029 53.065 52.037 -0.003 0.000 0.701 325 A CB -0.948 18.031 19.000 -0.034 0.000 0.789 325 A HN 0.872 nan 8.150 nan 0.000 0.465 326 G N -0.641 108.162 108.800 0.005 0.000 2.182 326 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.248 326 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.248 326 G C 0.350 175.233 174.900 -0.029 0.000 1.042 326 G CA 0.504 45.618 45.100 0.023 0.000 0.775 326 G HN 0.647 nan 8.290 nan 0.000 0.501 327 N N -1.124 117.489 118.700 -0.145 0.000 2.416 327 N HA 0.181 4.920 4.740 -0.002 0.000 0.177 327 N C 0.436 175.806 175.510 -0.233 0.000 1.036 327 N CA 0.115 53.025 53.050 -0.232 0.000 0.901 327 N CB 0.077 38.350 38.487 -0.357 0.000 0.976 327 N HN 0.406 nan 8.380 nan 0.000 0.444 328 F N 1.153 121.120 119.950 0.027 0.000 2.382 328 F HA 0.210 4.736 4.527 -0.001 0.000 0.331 328 F C 1.307 177.117 175.800 0.016 0.000 1.121 328 F CA -1.437 56.578 58.000 0.025 0.000 1.183 328 F CB 0.661 39.685 39.000 0.041 0.000 1.207 328 F HN -0.124 nan 8.300 nan 0.000 0.555 329 S N 1.983 117.818 115.700 0.224 0.000 2.661 329 S HA 0.238 4.707 4.470 -0.002 0.000 0.265 329 S C 1.036 175.698 174.600 0.104 0.000 1.225 329 S CA -0.704 57.566 58.200 0.117 0.000 0.986 329 S CB 0.635 63.878 63.200 0.072 0.000 1.008 329 S HN 0.745 nan 8.310 nan 0.000 0.565 330 M N 1.642 121.276 119.600 0.056 0.000 2.077 330 M HA 0.123 4.602 4.480 -0.002 0.000 0.261 330 M C 2.023 178.347 176.300 0.040 0.000 1.070 330 M CA 2.362 57.682 55.300 0.034 0.000 1.125 330 M CB -1.503 31.102 32.600 0.008 0.000 1.339 330 M HN 0.876 nan 8.290 nan 0.000 0.409 331 G N 0.078 108.902 108.800 0.041 0.000 2.469 331 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.219 331 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.219 331 G C 1.502 176.448 174.900 0.077 0.000 1.150 331 G CA 1.411 46.543 45.100 0.054 0.000 0.763 331 G HN 0.534 nan 8.290 nan 0.000 0.561 332 M N 0.142 119.771 119.600 0.049 0.000 2.213 332 M HA 0.162 4.641 4.480 -0.002 0.000 0.263 332 M C 2.258 178.560 176.300 0.002 0.000 1.062 332 M CA 1.154 56.465 55.300 0.018 0.000 1.105 332 M CB -0.293 32.332 32.600 0.042 0.000 1.385 332 M HN 0.188 nan 8.290 nan 0.000 0.417 333 L N -1.579 119.650 121.223 0.009 0.000 2.044 333 L HA -0.159 4.180 4.340 -0.002 0.000 0.205 333 L C 2.265 179.163 176.870 0.046 0.000 1.075 333 L CA 0.754 55.581 54.840 -0.021 0.000 0.747 333 L CB -0.693 41.372 42.059 0.009 0.000 0.903 333 L HN 0.119 nan 8.230 nan 0.000 0.435 334 V N -0.340 119.619 119.914 0.074 0.000 2.295 334 V HA -0.329 3.790 4.120 -0.002 0.000 0.246 334 V C 2.230 178.427 176.094 0.172 0.000 1.049 334 V CA 1.953 64.320 62.300 0.112 0.000 1.024 334 V CB -0.558 31.315 31.823 0.084 0.000 0.648 334 V HN 0.333 nan 8.190 nan 0.000 0.447 335 F N 0.676 120.641 119.950 0.025 0.000 2.025 335 F HA -0.266 4.260 4.527 -0.002 0.000 0.297 335 F C 2.174 177.980 175.800 0.011 0.000 1.132 335 F CA 2.151 60.160 58.000 0.015 0.000 1.191 335 F CB -0.378 38.618 39.000 -0.006 0.000 0.963 335 F HN 0.048 nan 8.300 nan 0.000 0.481 336 I N -0.754 119.971 120.570 0.257 0.000 2.194 336 I HA -0.346 3.823 4.170 -0.002 0.000 0.246 336 I C 2.344 178.486 176.117 0.042 0.000 1.093 336 I CA 1.628 62.991 61.300 0.106 0.000 1.355 336 I CB -0.628 37.350 38.000 -0.035 0.000 1.046 336 I HN 0.240 nan 8.210 nan 0.000 0.413 337 F N 1.175 121.081 119.950 -0.074 0.000 2.046 337 F HA -0.236 4.290 4.527 -0.002 0.000 0.297 337 F C 2.396 178.160 175.800 -0.059 0.000 1.123 337 F CA 1.838 59.793 58.000 -0.075 0.000 1.199 337 F CB -0.633 38.310 39.000 -0.094 0.000 0.972 337 F HN -0.223 nan 8.300 nan 0.000 0.474 338 V N 0.537 120.392 119.914 -0.098 0.000 2.295 338 V HA -0.321 3.798 4.120 -0.002 0.000 0.246 338 V C 2.743 178.696 176.094 -0.235 0.000 1.049 338 V CA 1.968 64.155 62.300 -0.189 0.000 1.024 338 V CB -1.667 30.095 31.823 -0.103 0.000 0.648 338 V HN 0.496 nan 8.190 nan 0.000 0.447 339 A N -0.207 122.431 122.820 -0.303 0.000 1.933 339 A HA -0.266 4.053 4.320 -0.002 0.000 0.218 339 A C 2.381 179.876 177.584 -0.149 0.000 1.175 339 A CA 2.169 54.037 52.037 -0.282 0.000 0.628 339 A CB -0.539 18.202 19.000 -0.432 0.000 0.814 339 A HN 0.504 nan 8.150 nan 0.000 0.444 340 R N -0.682 119.739 120.500 -0.132 0.000 2.119 340 R HA 0.005 4.344 4.340 -0.002 0.000 0.222 340 R C 1.830 178.092 176.300 -0.064 0.000 1.088 340 R CA 1.168 57.226 56.100 -0.070 0.000 0.984 340 R CB -0.273 30.002 30.300 -0.041 0.000 0.884 340 R HN 0.289 nan 8.270 nan 0.000 0.447 341 V N 1.177 120.999 119.914 -0.154 0.000 2.233 341 V HA -0.294 3.825 4.120 -0.002 0.000 0.247 341 V C 2.277 178.411 176.094 0.066 0.000 1.050 341 V CA 2.059 64.350 62.300 -0.016 0.000 1.010 341 V CB -0.391 31.384 31.823 -0.081 0.000 0.637 341 V HN 0.316 nan 8.190 nan 0.000 0.444 342 I N 0.983 121.536 120.570 -0.028 0.000 2.091 342 I HA -0.305 3.864 4.170 -0.002 0.000 0.239 342 I C 2.735 178.859 176.117 0.011 0.000 1.061 342 I CA 2.348 63.628 61.300 -0.033 0.000 1.317 342 I CB -0.862 37.090 38.000 -0.081 0.000 1.031 342 I HN 0.534 nan 8.210 nan 0.000 0.401 343 T N -2.911 111.650 114.554 0.011 0.000 2.915 343 T HA -0.112 4.237 4.350 -0.002 0.000 0.269 343 T C 1.739 176.492 174.700 0.088 0.000 1.071 343 T CA 1.610 63.734 62.100 0.040 0.000 1.132 343 T CB -0.738 68.147 68.868 0.029 0.000 0.878 343 T HN 0.249 nan 8.240 nan 0.000 0.479 344 T N 2.334 116.957 114.554 0.115 0.000 2.777 344 T HA 0.150 4.499 4.350 -0.002 0.000 0.266 344 T C 1.857 176.684 174.700 0.213 0.000 1.040 344 T CA 1.055 63.264 62.100 0.180 0.000 1.141 344 T CB -0.409 68.605 68.868 0.242 0.000 0.868 344 T HN 0.321 nan 8.240 nan 0.000 0.444 345 L N 0.119 121.444 121.223 0.169 0.000 2.005 345 L HA 0.010 4.349 4.340 -0.002 0.000 0.207 345 L C 2.394 179.341 176.870 0.130 0.000 1.072 345 L CA 0.813 55.730 54.840 0.128 0.000 0.744 345 L CB -0.608 41.483 42.059 0.054 0.000 0.895 345 L HN 0.165 nan 8.230 nan 0.000 0.433 346 L N -0.777 120.502 121.223 0.094 0.000 2.187 346 L HA -0.261 4.078 4.340 -0.002 0.000 0.213 346 L C 2.412 179.367 176.870 0.142 0.000 1.100 346 L CA 1.460 56.353 54.840 0.088 0.000 0.765 346 L CB -0.490 41.601 42.059 0.053 0.000 0.904 346 L HN 0.387 nan 8.230 nan 0.000 0.437 347 C N -2.613 116.793 119.300 0.176 0.000 2.538 347 C HA -0.015 4.444 4.460 -0.002 0.000 0.281 347 C C 2.499 177.641 174.990 0.252 0.000 1.320 347 C CA -0.203 58.944 59.018 0.215 0.000 1.714 347 C CB -0.719 27.138 27.740 0.194 0.000 2.095 347 C HN 0.546 nan 8.230 nan 0.000 0.497 348 F N 2.204 122.229 119.950 0.124 0.000 2.149 348 F HA -0.041 4.485 4.527 -0.001 0.000 0.294 348 F C 2.472 178.349 175.800 0.128 0.000 1.095 348 F CA 1.785 59.859 58.000 0.124 0.000 1.276 348 F CB -0.473 38.603 39.000 0.127 0.000 1.023 348 F HN 0.041 nan 8.300 nan 0.000 0.480 349 S N -0.292 115.499 115.700 0.152 0.000 2.419 349 S HA -0.170 4.299 4.470 -0.002 0.000 0.233 349 S C 1.738 176.365 174.600 0.044 0.000 1.016 349 S CA 1.173 59.405 58.200 0.053 0.000 0.974 349 S CB -0.837 62.418 63.200 0.093 0.000 0.786 349 S HN 0.510 nan 8.310 nan 0.000 0.492 350 S N 0.793 116.561 115.700 0.114 0.000 2.840 350 S HA 0.392 4.861 4.470 -0.002 0.000 0.235 350 S C 1.319 176.135 174.600 0.360 0.000 0.968 350 S CA 0.252 58.588 58.200 0.226 0.000 1.026 350 S CB -0.638 62.724 63.200 0.270 0.000 0.788 350 S HN 0.665 nan 8.310 nan 0.000 0.487 351 G N 0.587 109.473 108.800 0.143 0.000 2.200 351 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.267 351 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.267 351 G C 0.384 175.238 174.900 -0.075 0.000 0.993 351 G CA 0.081 45.235 45.100 0.089 0.000 0.701 351 G HN 1.433 nan 8.290 nan 0.000 0.524 352 A N 0.851 123.584 122.820 -0.146 0.000 2.498 352 A HA 0.566 4.885 4.320 -0.002 0.000 0.239 352 A C -1.143 176.307 177.584 -0.224 0.000 1.068 352 A CA -0.450 51.329 52.037 -0.430 0.000 0.766 352 A CB 0.344 19.191 19.000 -0.255 0.000 1.003 352 A HN 0.279 nan 8.150 nan 0.000 0.497 353 P HA 0.385 nan 4.420 nan 0.000 0.270 353 P C 0.105 177.410 177.300 0.008 0.000 1.242 353 P CA 0.795 63.840 63.100 -0.092 0.000 0.768 353 P CB 0.554 32.200 31.700 -0.091 0.000 0.820 354 G N 2.029 110.872 108.800 0.072 0.000 2.249 354 G HA2 0.379 4.338 3.960 -0.002 0.000 0.252 354 G HA3 0.379 4.338 3.960 -0.002 0.000 0.252 354 G C -0.263 174.794 174.900 0.262 0.000 1.697 354 G CA -0.422 44.760 45.100 0.137 0.000 0.916 354 G HN 0.565 nan 8.290 nan 0.000 0.725 355 G N -0.338 108.592 108.800 0.216 0.000 2.667 355 G HA2 0.487 4.446 3.960 -0.002 0.000 0.250 355 G HA3 0.487 4.446 3.960 -0.002 0.000 0.250 355 G C 0.927 175.959 174.900 0.219 0.000 1.212 355 G CA -0.040 45.224 45.100 0.273 0.000 0.874 355 G HN 1.209 nan 8.290 nan 0.000 0.561 356 I N 0.082 120.681 120.570 0.050 0.000 4.082 356 I HA 0.231 4.400 4.170 -0.002 0.000 0.337 356 I C 1.582 177.718 176.117 0.032 0.000 1.352 356 I CA -0.421 60.793 61.300 -0.144 0.000 1.097 356 I CB -0.017 37.518 38.000 -0.776 0.000 1.048 356 I HN 0.612 nan 8.210 nan 0.000 0.393 357 F N 1.735 121.715 119.950 0.049 0.000 2.069 357 F HA -0.288 4.238 4.527 -0.002 0.000 0.298 357 F C 2.473 178.338 175.800 0.109 0.000 1.113 357 F CA 2.304 60.358 58.000 0.091 0.000 1.214 357 F CB -0.015 39.086 39.000 0.168 0.000 0.978 357 F HN 0.152 nan 8.300 nan 0.000 0.474 358 A N 0.163 123.250 122.820 0.445 0.000 1.855 358 A HA -0.088 4.231 4.320 -0.002 0.000 0.215 358 A C -0.324 177.308 177.584 0.079 0.000 1.191 358 A CA 1.577 53.795 52.037 0.301 0.000 0.613 358 A CB -2.132 16.923 19.000 0.093 0.000 0.829 358 A HN 0.294 nan 8.150 nan 0.000 0.442 359 P HA -0.168 nan 4.420 nan 0.000 0.218 359 P C 1.513 178.821 177.300 0.013 0.000 1.146 359 P CA 1.324 64.432 63.100 0.014 0.000 0.813 359 P CB -0.173 31.555 31.700 0.047 0.000 0.778 360 M N -2.105 117.492 119.600 -0.006 0.000 2.319 360 M HA -0.067 4.412 4.480 -0.002 0.000 0.265 360 M C 1.873 178.161 176.300 -0.019 0.000 1.068 360 M CA 1.301 56.558 55.300 -0.072 0.000 1.118 360 M CB -0.558 31.945 32.600 -0.162 0.000 1.395 360 M HN -0.037 nan 8.290 nan 0.000 0.435 361 L N -0.322 120.927 121.223 0.044 0.000 1.994 361 L HA -0.151 4.188 4.340 -0.002 0.000 0.208 361 L C 2.803 179.745 176.870 0.120 0.000 1.071 361 L CA 1.342 56.238 54.840 0.093 0.000 0.745 361 L CB -0.905 41.279 42.059 0.208 0.000 0.892 361 L HN 0.263 nan 8.230 nan 0.000 0.431 362 A N -0.112 122.783 122.820 0.125 0.000 1.978 362 A HA -0.170 4.149 4.320 -0.002 0.000 0.220 362 A C 2.264 179.926 177.584 0.130 0.000 1.170 362 A CA 1.517 53.633 52.037 0.131 0.000 0.636 362 A CB -0.686 18.369 19.000 0.092 0.000 0.810 362 A HN 0.354 nan 8.150 nan 0.000 0.448 363 L N -0.927 120.361 121.223 0.108 0.000 2.027 363 L HA -0.071 4.268 4.340 -0.002 0.000 0.206 363 L C 2.849 179.854 176.870 0.224 0.000 1.074 363 L CA 1.157 56.098 54.840 0.168 0.000 0.745 363 L CB -0.671 41.417 42.059 0.047 0.000 0.898 363 L HN 0.463 nan 8.230 nan 0.000 0.433 364 G N -1.044 107.880 108.800 0.207 0.000 2.418 364 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.217 364 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.217 364 G C 1.548 176.593 174.900 0.242 0.000 1.158 364 G CA 1.238 46.529 45.100 0.318 0.000 0.771 364 G HN 0.305 nan 8.290 nan 0.000 0.545 365 T N 1.123 115.772 114.554 0.159 0.000 2.622 365 T HA -0.155 4.194 4.350 -0.002 0.000 0.266 365 T C 2.522 177.310 174.700 0.147 0.000 1.047 365 T CA 1.459 63.649 62.100 0.149 0.000 1.159 365 T CB -0.495 68.466 68.868 0.155 0.000 0.863 365 T HN 0.050 nan 8.240 nan 0.000 0.422 366 V N 1.508 121.502 119.914 0.133 0.000 2.287 366 V HA -0.134 3.985 4.120 -0.002 0.000 0.248 366 V C 2.445 178.510 176.094 -0.048 0.000 1.053 366 V CA 1.489 63.837 62.300 0.079 0.000 1.027 366 V CB -0.765 31.124 31.823 0.111 0.000 0.646 366 V HN 0.296 nan 8.190 nan 0.000 0.447 367 L N 1.174 122.305 121.223 -0.153 0.000 2.046 367 L HA -0.025 4.314 4.340 -0.002 0.000 0.208 367 L C 2.351 179.163 176.870 -0.097 0.000 1.077 367 L CA 2.421 57.019 54.840 -0.403 0.000 0.747 367 L CB -1.334 40.311 42.059 -0.691 0.000 0.896 367 L HN 0.276 nan 8.230 nan 0.000 0.432 368 G N -1.798 107.083 108.800 0.134 0.000 2.459 368 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.217 368 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.217 368 G C 1.431 176.461 174.900 0.218 0.000 1.183 368 G CA 1.291 46.533 45.100 0.236 0.000 0.776 368 G HN 0.430 nan 8.290 nan 0.000 0.552 369 T N 1.902 116.555 114.554 0.164 0.000 2.665 369 T HA -0.116 4.233 4.350 -0.002 0.000 0.268 369 T C 2.783 177.531 174.700 0.080 0.000 1.035 369 T CA 1.871 64.060 62.100 0.148 0.000 1.151 369 T CB -0.523 68.437 68.868 0.153 0.000 0.862 369 T HN 0.414 nan 8.240 nan 0.000 0.438 370 A N 0.970 123.802 122.820 0.020 0.000 1.908 370 A HA -0.078 4.241 4.320 -0.002 0.000 0.218 370 A C 2.043 179.597 177.584 -0.051 0.000 1.181 370 A CA 1.587 53.600 52.037 -0.041 0.000 0.627 370 A CB -1.032 17.890 19.000 -0.130 0.000 0.818 370 A HN 0.485 nan 8.150 nan 0.000 0.445 371 F N 1.050 120.883 119.950 -0.194 0.000 2.186 371 F HA 0.009 4.535 4.527 -0.002 0.000 0.299 371 F C 2.318 177.866 175.800 -0.419 0.000 1.090 371 F CA 1.335 59.165 58.000 -0.284 0.000 1.307 371 F CB -0.641 38.194 39.000 -0.276 0.000 1.019 371 F HN 0.209 nan 8.300 nan 0.000 0.489 372 G N 0.486 109.138 108.800 -0.247 0.000 2.446 372 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.217 372 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.217 372 G C 1.678 176.444 174.900 -0.222 0.000 1.168 372 G CA 1.069 45.989 45.100 -0.300 0.000 0.771 372 G HN 0.355 nan 8.290 nan 0.000 0.551 373 M N 0.135 119.660 119.600 -0.124 0.000 2.080 373 M HA -0.102 4.377 4.480 -0.002 0.000 0.260 373 M C 2.726 178.923 176.300 -0.171 0.000 1.068 373 M CA 1.175 56.417 55.300 -0.097 0.000 1.109 373 M CB -0.610 31.961 32.600 -0.049 0.000 1.342 373 M HN 0.136 nan 8.290 nan 0.000 0.405 374 V N 0.578 120.335 119.914 -0.261 0.000 2.295 374 V HA -0.256 3.863 4.120 -0.002 0.000 0.246 374 V C 2.722 178.603 176.094 -0.355 0.000 1.049 374 V CA 2.019 64.137 62.300 -0.302 0.000 1.024 374 V CB -1.492 30.121 31.823 -0.349 0.000 0.648 374 V HN 0.521 nan 8.190 nan 0.000 0.447 375 A N -0.097 122.409 122.820 -0.523 0.000 1.883 375 A HA -0.183 4.136 4.320 -0.002 0.000 0.217 375 A C 2.436 179.972 177.584 -0.081 0.000 1.186 375 A CA 2.214 54.012 52.037 -0.398 0.000 0.624 375 A CB -0.831 17.661 19.000 -0.846 0.000 0.822 375 A HN 0.319 nan 8.150 nan 0.000 0.444 376 V N 1.094 120.955 119.914 -0.089 0.000 2.252 376 V HA -0.347 3.772 4.120 -0.002 0.000 0.249 376 V C 2.635 178.713 176.094 -0.027 0.000 1.056 376 V CA 2.651 64.958 62.300 0.011 0.000 1.022 376 V CB -0.961 30.870 31.823 0.013 0.000 0.641 376 V HN 0.948 nan 8.190 nan 0.000 0.445 377 E N -0.090 120.053 120.200 -0.094 0.000 2.216 377 E HA -0.106 4.243 4.350 -0.002 0.000 0.192 377 E C 2.052 178.532 176.600 -0.200 0.000 0.988 377 E CA 0.955 57.283 56.400 -0.120 0.000 0.834 377 E CB -0.332 29.299 29.700 -0.114 0.000 0.772 377 E HN 0.548 nan 8.360 nan 0.000 0.479 378 L N -0.305 120.734 121.223 -0.307 0.000 2.291 378 L HA 0.078 4.417 4.340 -0.002 0.000 0.214 378 L C 0.264 176.595 176.870 -0.898 0.000 1.120 378 L CA 0.595 55.054 54.840 -0.636 0.000 0.799 378 L CB 0.024 41.576 42.059 -0.845 0.000 0.925 378 L HN 0.115 nan 8.230 nan 0.000 0.446 379 F N -0.697 119.225 119.950 -0.048 0.000 2.931 379 F HA 0.289 4.816 4.527 -0.002 0.000 0.375 379 F C -1.729 174.024 175.800 -0.078 0.000 1.243 379 F CA -1.432 56.534 58.000 -0.056 0.000 1.206 379 F CB 0.706 39.777 39.000 0.117 0.000 1.643 379 F HN -0.218 nan 8.300 nan 0.000 0.593 380 P HA -0.192 nan 4.420 nan 0.000 0.223 380 P C 1.266 178.438 177.300 -0.214 0.000 1.151 380 P CA 1.186 64.223 63.100 -0.104 0.000 0.787 380 P CB 0.259 31.887 31.700 -0.121 0.000 0.788 381 Q N -1.058 118.648 119.800 -0.156 0.000 2.291 381 Q HA -0.156 4.183 4.340 -0.002 0.000 0.205 381 Q C 1.272 177.284 176.000 0.019 0.000 0.970 381 Q CA 1.355 57.072 55.803 -0.144 0.000 0.876 381 Q CB -1.101 27.532 28.738 -0.173 0.000 0.935 381 Q HN 0.269 nan 8.270 nan 0.000 0.455 382 Y N 0.583 120.970 120.300 0.145 0.000 2.517 382 Y HA 0.081 4.630 4.550 -0.002 0.000 0.281 382 Y C 0.052 176.112 175.900 0.267 0.000 1.125 382 Y CA 0.253 58.472 58.100 0.198 0.000 1.283 382 Y CB -0.369 38.173 38.460 0.138 0.000 1.042 382 Y HN 0.318 nan 8.280 nan 0.000 0.547 383 H N -1.417 117.786 119.070 0.221 0.000 2.756 383 H HA -0.159 4.397 4.556 -0.001 0.000 0.315 383 H C -0.153 175.264 175.328 0.148 0.000 1.210 383 H CA 0.146 56.282 56.048 0.147 0.000 1.150 383 H CB -2.136 27.692 29.762 0.109 0.000 1.463 383 H HN 0.174 nan 8.280 nan 0.000 0.427 384 L N 0.089 121.457 121.223 0.243 0.000 2.476 384 L HA 0.265 4.604 4.340 -0.002 0.000 0.255 384 L C 0.970 177.949 176.870 0.181 0.000 1.218 384 L CA 0.348 55.329 54.840 0.235 0.000 0.819 384 L CB 0.606 42.852 42.059 0.312 0.000 1.119 384 L HN 0.433 nan 8.230 nan 0.000 0.485 385 E N -0.387 119.920 120.200 0.178 0.000 2.281 385 E HA 0.331 4.680 4.350 -0.002 0.000 0.266 385 E C 0.071 176.793 176.600 0.203 0.000 0.893 385 E CA -0.366 56.119 56.400 0.142 0.000 0.798 385 E CB 1.828 31.581 29.700 0.087 0.000 1.245 385 E HN 0.654 nan 8.360 nan 0.000 0.410 386 A N 3.642 126.589 122.820 0.212 0.000 1.986 386 A HA -0.177 4.142 4.320 -0.002 0.000 0.220 386 A C 1.883 179.621 177.584 0.257 0.000 1.171 386 A CA 2.067 54.271 52.037 0.278 0.000 0.640 386 A CB -0.850 18.243 19.000 0.154 0.000 0.811 386 A HN 0.786 nan 8.150 nan 0.000 0.451 387 G N -0.367 108.523 108.800 0.150 0.000 2.475 387 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.220 387 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.220 387 G C 1.708 176.653 174.900 0.075 0.000 1.125 387 G CA 2.114 47.277 45.100 0.104 0.000 0.755 387 G HN 0.751 nan 8.290 nan 0.000 0.565 388 T N -1.634 112.931 114.554 0.019 0.000 2.904 388 T HA 0.014 4.363 4.350 -0.002 0.000 0.267 388 T C 2.071 176.734 174.700 -0.061 0.000 1.059 388 T CA 0.897 62.945 62.100 -0.086 0.000 1.137 388 T CB -0.414 68.336 68.868 -0.195 0.000 0.879 388 T HN 0.225 nan 8.240 nan 0.000 0.467 389 F N 1.828 121.878 119.950 0.168 0.000 2.367 389 F HA 0.377 4.903 4.527 -0.001 0.000 0.298 389 F C 2.878 178.755 175.800 0.128 0.000 1.094 389 F CA 0.324 58.419 58.000 0.158 0.000 1.409 389 F CB -0.526 38.540 39.000 0.109 0.000 1.064 389 F HN 0.237 nan 8.300 nan 0.000 0.528 390 A N 0.557 123.532 122.820 0.258 0.000 1.877 390 A HA -0.139 4.180 4.320 -0.002 0.000 0.216 390 A C 2.197 179.849 177.584 0.112 0.000 1.186 390 A CA 1.485 53.628 52.037 0.177 0.000 0.620 390 A CB -0.946 18.146 19.000 0.154 0.000 0.822 390 A HN 0.389 nan 8.150 nan 0.000 0.443 391 I N -0.549 120.066 120.570 0.074 0.000 2.546 391 I HA -0.190 3.979 4.170 -0.002 0.000 0.255 391 I C 2.839 178.946 176.117 -0.017 0.000 1.163 391 I CA 0.771 62.081 61.300 0.018 0.000 1.457 391 I CB -0.191 37.803 38.000 -0.010 0.000 1.092 391 I HN 0.378 nan 8.210 nan 0.000 0.434 392 A N 0.672 123.503 122.820 0.018 0.000 1.897 392 A HA -0.064 4.255 4.320 -0.002 0.000 0.215 392 A C 2.371 179.896 177.584 -0.098 0.000 1.181 392 A CA 1.682 53.716 52.037 -0.005 0.000 0.620 392 A CB -1.149 17.962 19.000 0.184 0.000 0.821 392 A HN 0.428 nan 8.150 nan 0.000 0.443 393 G N -0.992 107.780 108.800 -0.046 0.000 2.511 393 G HA2 -0.085 3.874 3.960 -0.002 0.000 0.217 393 G HA3 -0.085 3.874 3.960 -0.002 0.000 0.217 393 G C 1.523 176.282 174.900 -0.235 0.000 1.133 393 G CA 0.892 45.864 45.100 -0.213 0.000 0.792 393 G HN 0.481 nan 8.290 nan 0.000 0.539 394 M N 0.982 120.531 119.600 -0.085 0.000 2.080 394 M HA -0.004 4.475 4.480 -0.002 0.000 0.260 394 M C 2.213 178.448 176.300 -0.107 0.000 1.068 394 M CA 1.998 57.275 55.300 -0.039 0.000 1.109 394 M CB -0.135 32.467 32.600 0.002 0.000 1.342 394 M HN 0.167 nan 8.290 nan 0.000 0.405 395 G N -1.420 107.280 108.800 -0.165 0.000 3.284 395 G HA2 0.359 4.318 3.960 -0.002 0.000 0.236 395 G HA3 0.359 4.318 3.960 -0.002 0.000 0.236 395 G C 1.127 175.863 174.900 -0.274 0.000 1.158 395 G CA 0.474 45.465 45.100 -0.182 0.000 0.774 395 G HN 0.595 nan 8.290 nan 0.000 0.545 396 A N 0.500 123.038 122.820 -0.470 0.000 1.898 396 A HA 0.170 4.489 4.320 -0.002 0.000 0.214 396 A C 2.128 179.432 177.584 -0.467 0.000 1.183 396 A CA 0.916 52.523 52.037 -0.716 0.000 0.622 396 A CB -0.264 17.773 19.000 -1.606 0.000 0.824 396 A HN 0.353 nan 8.150 nan 0.000 0.444 397 L N -0.080 120.989 121.223 -0.257 0.000 2.131 397 L HA -0.041 4.298 4.340 -0.002 0.000 0.210 397 L C 2.182 178.995 176.870 -0.095 0.000 1.092 397 L CA 1.334 56.215 54.840 0.068 0.000 0.759 397 L CB -0.388 41.757 42.059 0.144 0.000 0.903 397 L HN 0.393 nan 8.230 nan 0.000 0.435 398 L N -1.073 120.032 121.223 -0.197 0.000 2.191 398 L HA -0.170 4.169 4.340 -0.002 0.000 0.212 398 L C 2.403 179.159 176.870 -0.190 0.000 1.103 398 L CA 0.997 55.670 54.840 -0.279 0.000 0.769 398 L CB -0.677 41.176 42.059 -0.343 0.000 0.908 398 L HN 0.361 nan 8.230 nan 0.000 0.438 399 A N -0.763 121.967 122.820 -0.150 0.000 2.081 399 A HA 0.209 4.528 4.320 -0.002 0.000 0.214 399 A C 2.244 179.785 177.584 -0.072 0.000 1.158 399 A CA 1.055 53.028 52.037 -0.107 0.000 0.724 399 A CB -0.172 18.756 19.000 -0.121 0.000 0.826 399 A HN 0.335 nan 8.150 nan 0.000 0.463 400 A N -1.680 121.114 122.820 -0.044 0.000 2.252 400 A HA 0.382 4.701 4.320 -0.002 0.000 0.213 400 A C 1.931 179.507 177.584 -0.012 0.000 1.188 400 A CA 1.252 53.291 52.037 0.004 0.000 0.863 400 A CB 0.062 19.123 19.000 0.101 0.000 0.893 400 A HN 0.320 nan 8.150 nan 0.000 0.495 401 S N -0.897 114.777 115.700 -0.043 0.000 2.665 401 S HA 0.137 4.606 4.470 -0.002 0.000 0.240 401 S C 1.537 176.059 174.600 -0.129 0.000 1.081 401 S CA 0.635 58.803 58.200 -0.053 0.000 0.887 401 S CB -0.031 63.175 63.200 0.011 0.000 0.805 401 S HN 0.689 nan 8.310 nan 0.000 0.486 402 I N -0.797 119.660 120.570 -0.188 0.000 3.941 402 I HA 0.364 4.533 4.170 -0.002 0.000 0.321 402 I C -0.027 176.042 176.117 -0.079 0.000 1.284 402 I CA 0.068 61.242 61.300 -0.210 0.000 1.226 402 I CB 0.240 38.015 38.000 -0.376 0.000 1.045 402 I HN -0.080 nan 8.210 nan 0.000 0.420 403 R N 0.825 121.281 120.500 -0.074 0.000 3.525 403 R HA -0.161 4.178 4.340 -0.002 0.000 0.276 403 R C 0.057 176.346 176.300 -0.018 0.000 1.116 403 R CA 0.823 56.895 56.100 -0.047 0.000 0.745 403 R CB -2.717 27.557 30.300 -0.043 0.000 1.185 403 R HN 0.632 nan 8.270 nan 0.000 0.454 404 A N 0.569 123.391 122.820 0.004 0.000 2.923 404 A HA 0.498 4.817 4.320 -0.002 0.000 0.343 404 A C -1.092 176.508 177.584 0.027 0.000 1.199 404 A CA -1.154 50.916 52.037 0.056 0.000 0.878 404 A CB 0.800 19.920 19.000 0.200 0.000 1.104 404 A HN -0.036 nan 8.150 nan 0.000 0.483 405 P HA -0.123 nan 4.420 nan 0.000 0.215 405 P C 1.603 178.894 177.300 -0.015 0.000 1.157 405 P CA 0.466 63.545 63.100 -0.035 0.000 0.856 405 P CB 0.194 31.864 31.700 -0.049 0.000 0.786 406 L N 0.079 121.301 121.223 -0.001 0.000 2.079 406 L HA -0.116 4.223 4.340 -0.002 0.000 0.210 406 L C 2.147 179.036 176.870 0.031 0.000 1.081 406 L CA 2.243 57.087 54.840 0.007 0.000 0.752 406 L CB -1.732 40.330 42.059 0.006 0.000 0.896 406 L HN -0.070 nan 8.230 nan 0.000 0.433 407 T N -0.710 113.889 114.554 0.076 0.000 2.737 407 T HA -0.060 4.289 4.350 -0.002 0.000 0.265 407 T C 1.701 176.452 174.700 0.085 0.000 1.038 407 T CA 1.166 63.343 62.100 0.129 0.000 1.144 407 T CB -0.846 68.202 68.868 0.300 0.000 0.866 407 T HN 0.581 nan 8.240 nan 0.000 0.434 408 G N 1.418 110.253 108.800 0.057 0.000 2.446 408 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.217 408 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.217 408 G C 1.531 176.406 174.900 -0.042 0.000 1.168 408 G CA 0.762 45.856 45.100 -0.010 0.000 0.771 408 G HN 0.478 nan 8.290 nan 0.000 0.551 409 I N 0.572 121.116 120.570 -0.043 0.000 2.099 409 I HA -0.185 3.984 4.170 -0.002 0.000 0.239 409 I C 2.673 178.771 176.117 -0.033 0.000 1.066 409 I CA 1.121 62.391 61.300 -0.050 0.000 1.324 409 I CB -0.216 37.757 38.000 -0.046 0.000 1.037 409 I HN 0.134 nan 8.210 nan 0.000 0.401 410 I N -0.084 120.477 120.570 -0.015 0.000 2.493 410 I HA -0.267 3.902 4.170 -0.002 0.000 0.254 410 I C 2.410 178.505 176.117 -0.037 0.000 1.160 410 I CA 0.915 62.208 61.300 -0.011 0.000 1.445 410 I CB -0.203 37.796 38.000 -0.001 0.000 1.086 410 I HN 0.251 nan 8.210 nan 0.000 0.433 411 L N 0.305 121.494 121.223 -0.057 0.000 1.994 411 L HA -0.171 4.168 4.340 -0.002 0.000 0.208 411 L C 2.486 179.278 176.870 -0.130 0.000 1.071 411 L CA 1.737 56.502 54.840 -0.125 0.000 0.745 411 L CB -0.327 41.635 42.059 -0.162 0.000 0.892 411 L HN -0.059 nan 8.230 nan 0.000 0.431 412 V N -0.323 119.531 119.914 -0.100 0.000 2.255 412 V HA -0.320 3.799 4.120 -0.002 0.000 0.247 412 V C 2.504 178.566 176.094 -0.054 0.000 1.051 412 V CA 1.940 64.192 62.300 -0.080 0.000 1.018 412 V CB -0.796 30.985 31.823 -0.070 0.000 0.641 412 V HN 0.529 nan 8.190 nan 0.000 0.445 413 L N 0.301 121.502 121.223 -0.036 0.000 2.021 413 L HA -0.255 4.084 4.340 -0.002 0.000 0.215 413 L C 2.418 179.284 176.870 -0.006 0.000 1.074 413 L CA 2.155 56.993 54.840 -0.002 0.000 0.760 413 L CB -0.688 41.390 42.059 0.032 0.000 0.889 413 L HN 0.390 nan 8.230 nan 0.000 0.433 414 E N -1.423 118.761 120.200 -0.026 0.000 2.268 414 E HA -0.170 4.179 4.350 -0.002 0.000 0.195 414 E C 2.017 178.599 176.600 -0.031 0.000 0.995 414 E CA 1.204 57.588 56.400 -0.027 0.000 0.836 414 E CB -0.062 29.615 29.700 -0.037 0.000 0.763 414 E HN 0.586 nan 8.360 nan 0.000 0.491 415 M N -0.679 118.891 119.600 -0.050 0.000 2.461 415 M HA 0.006 4.485 4.480 -0.002 0.000 0.255 415 M C 2.002 178.279 176.300 -0.037 0.000 1.137 415 M CA 0.854 56.121 55.300 -0.056 0.000 1.086 415 M CB 0.527 33.064 32.600 -0.106 0.000 1.356 415 M HN 0.103 nan 8.290 nan 0.000 0.487 416 T N -4.766 109.773 114.554 -0.025 0.000 2.978 416 T HA 0.061 4.410 4.350 -0.002 0.000 0.248 416 T C 0.615 175.315 174.700 0.000 0.000 1.018 416 T CA 0.221 62.315 62.100 -0.011 0.000 1.026 416 T CB 0.123 68.984 68.868 -0.012 0.000 1.032 416 T HN 0.231 nan 8.240 nan 0.000 0.485 417 D N 1.755 122.159 120.400 0.007 0.000 2.697 417 D HA -0.145 4.494 4.640 -0.002 0.000 0.238 417 D C -0.896 175.423 176.300 0.032 0.000 1.152 417 D CA 0.337 54.351 54.000 0.023 0.000 0.666 417 D CB -2.014 38.795 40.800 0.016 0.000 1.037 417 D HN 0.529 nan 8.370 nan 0.000 0.423 418 N N 0.603 119.320 118.700 0.028 0.000 2.806 418 N HA 0.137 4.876 4.740 -0.002 0.000 0.315 418 N C 0.444 175.961 175.510 0.012 0.000 1.738 418 N CA -0.518 52.539 53.050 0.012 0.000 0.993 418 N CB 0.035 38.508 38.487 -0.024 0.000 1.324 418 N HN 0.218 nan 8.380 nan 0.000 0.493 419 Y N 1.469 121.738 120.300 -0.052 0.000 2.298 419 Y HA -0.305 4.244 4.550 -0.001 0.000 0.287 419 Y C 1.544 177.402 175.900 -0.070 0.000 1.164 419 Y CA 1.893 59.959 58.100 -0.057 0.000 1.229 419 Y CB 0.130 38.564 38.460 -0.043 0.000 0.977 419 Y HN 0.334 nan 8.280 nan 0.000 0.538 420 Q N -0.015 119.691 119.800 -0.157 0.000 2.443 420 Q HA -0.091 4.248 4.340 -0.002 0.000 0.213 420 Q C 1.259 177.084 176.000 -0.292 0.000 0.982 420 Q CA 1.524 57.196 55.803 -0.219 0.000 0.894 420 Q CB -0.492 28.186 28.738 -0.100 0.000 0.947 420 Q HN 0.522 nan 8.270 nan 0.000 0.480 421 L N -0.322 120.726 121.223 -0.292 0.000 2.741 421 L HA 0.195 4.534 4.340 -0.002 0.000 0.237 421 L C 1.195 177.848 176.870 -0.361 0.000 1.178 421 L CA -0.340 54.309 54.840 -0.318 0.000 0.973 421 L CB 0.043 41.953 42.059 -0.249 0.000 1.255 421 L HN 0.177 nan 8.230 nan 0.000 0.498 422 I N 0.193 120.494 120.570 -0.447 0.000 2.286 422 I HA -0.271 3.898 4.170 -0.002 0.000 0.248 422 I C 2.067 178.000 176.117 -0.307 0.000 1.115 422 I CA 1.634 62.695 61.300 -0.399 0.000 1.392 422 I CB 0.091 37.724 38.000 -0.613 0.000 1.065 422 I HN 0.178 nan 8.210 nan 0.000 0.418 423 L N 0.883 121.911 121.223 -0.326 0.000 1.994 423 L HA -0.088 4.251 4.340 -0.002 0.000 0.208 423 L C -0.385 176.291 176.870 -0.323 0.000 1.071 423 L CA 2.332 57.011 54.840 -0.268 0.000 0.745 423 L CB -1.986 39.931 42.059 -0.237 0.000 0.892 423 L HN 0.157 nan 8.230 nan 0.000 0.431 424 P HA -0.180 nan 4.420 nan 0.000 0.216 424 P C 2.011 179.061 177.300 -0.416 0.000 1.150 424 P CA 1.618 64.235 63.100 -0.804 0.000 0.837 424 P CB -0.062 30.693 31.700 -1.576 0.000 0.786 425 M N -1.878 117.527 119.600 -0.324 0.000 2.132 425 M HA -0.125 4.354 4.480 -0.002 0.000 0.263 425 M C 2.121 178.328 176.300 -0.155 0.000 1.065 425 M CA 1.758 56.938 55.300 -0.201 0.000 1.122 425 M CB -0.741 31.754 32.600 -0.175 0.000 1.365 425 M HN -0.087 nan 8.290 nan 0.000 0.411 426 I N 0.250 120.730 120.570 -0.151 0.000 2.133 426 I HA -0.305 3.864 4.170 -0.002 0.000 0.238 426 I C 2.285 178.350 176.117 -0.087 0.000 1.074 426 I CA 1.387 62.624 61.300 -0.105 0.000 1.342 426 I CB -0.308 37.636 38.000 -0.093 0.000 1.053 426 I HN 0.199 nan 8.210 nan 0.000 0.404 427 I N 0.348 120.864 120.570 -0.090 0.000 2.118 427 I HA -0.368 3.801 4.170 -0.002 0.000 0.241 427 I C 2.569 178.675 176.117 -0.017 0.000 1.070 427 I CA 1.903 63.179 61.300 -0.040 0.000 1.327 427 I CB -0.568 37.418 38.000 -0.024 0.000 1.034 427 I HN 0.284 nan 8.210 nan 0.000 0.405 428 T N 0.232 114.773 114.554 -0.022 0.000 2.684 428 T HA -0.167 4.182 4.350 -0.002 0.000 0.267 428 T C 1.873 176.517 174.700 -0.093 0.000 1.036 428 T CA 1.605 63.688 62.100 -0.029 0.000 1.148 428 T CB -0.889 67.962 68.868 -0.029 0.000 0.863 428 T HN 0.614 nan 8.240 nan 0.000 0.436 429 G N 1.163 109.892 108.800 -0.120 0.000 2.446 429 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.217 429 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.217 429 G C 1.558 176.411 174.900 -0.079 0.000 1.168 429 G CA 0.889 45.912 45.100 -0.128 0.000 0.771 429 G HN 0.443 nan 8.290 nan 0.000 0.551 430 L N 1.199 122.390 121.223 -0.054 0.000 2.046 430 L HA 0.134 4.473 4.340 -0.002 0.000 0.208 430 L C 2.876 179.741 176.870 -0.009 0.000 1.077 430 L CA 2.225 57.047 54.840 -0.030 0.000 0.747 430 L CB -0.729 41.319 42.059 -0.018 0.000 0.896 430 L HN 0.188 nan 8.230 nan 0.000 0.432 431 G N -1.059 107.742 108.800 0.002 0.000 2.440 431 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.218 431 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.218 431 G C 1.601 176.522 174.900 0.034 0.000 1.154 431 G CA 0.806 45.924 45.100 0.031 0.000 0.767 431 G HN 0.617 nan 8.290 nan 0.000 0.552 432 A N 0.447 123.274 122.820 0.011 0.000 1.877 432 A HA -0.014 4.305 4.320 -0.002 0.000 0.216 432 A C 2.559 180.148 177.584 0.009 0.000 1.186 432 A CA 2.494 54.551 52.037 0.032 0.000 0.620 432 A CB -0.930 18.065 19.000 -0.008 0.000 0.822 432 A HN 0.319 nan 8.150 nan 0.000 0.443 433 T N 0.382 114.920 114.554 -0.026 0.000 2.867 433 T HA -0.007 4.342 4.350 -0.002 0.000 0.268 433 T C 1.809 176.460 174.700 -0.082 0.000 1.057 433 T CA 1.161 63.229 62.100 -0.053 0.000 1.136 433 T CB -0.311 68.520 68.868 -0.062 0.000 0.874 433 T HN 0.321 nan 8.240 nan 0.000 0.466 434 L N 0.443 121.636 121.223 -0.050 0.000 1.976 434 L HA -0.023 4.316 4.340 -0.002 0.000 0.209 434 L C 2.491 179.340 176.870 -0.036 0.000 1.071 434 L CA 1.052 55.853 54.840 -0.063 0.000 0.746 434 L CB -0.515 41.596 42.059 0.087 0.000 0.890 434 L HN 0.226 nan 8.230 nan 0.000 0.432 435 L N -0.361 120.911 121.223 0.082 0.000 2.275 435 L HA -0.109 4.230 4.340 -0.002 0.000 0.215 435 L C 2.717 179.623 176.870 0.059 0.000 1.119 435 L CA 1.418 56.337 54.840 0.131 0.000 0.790 435 L CB -1.374 40.759 42.059 0.123 0.000 0.919 435 L HN 0.241 nan 8.230 nan 0.000 0.443 436 A N -0.695 122.126 122.820 0.002 0.000 1.969 436 A HA -0.234 4.085 4.320 -0.002 0.000 0.218 436 A C 2.288 179.831 177.584 -0.069 0.000 1.169 436 A CA 1.403 53.426 52.037 -0.024 0.000 0.635 436 A CB -0.323 18.660 19.000 -0.028 0.000 0.810 436 A HN 0.477 nan 8.150 nan 0.000 0.445 437 Q N -1.434 118.268 119.800 -0.163 0.000 2.049 437 Q HA -0.113 4.226 4.340 -0.002 0.000 0.198 437 Q C 1.202 177.081 176.000 -0.201 0.000 0.971 437 Q CA 1.447 57.090 55.803 -0.267 0.000 0.833 437 Q CB -0.162 28.273 28.738 -0.504 0.000 0.896 437 Q HN 0.578 nan 8.270 nan 0.000 0.434 438 F N 0.400 120.355 119.950 0.007 0.000 2.802 438 F HA 0.018 4.544 4.527 -0.002 0.000 0.300 438 F C 1.583 177.385 175.800 0.004 0.000 1.168 438 F CA 1.119 59.123 58.000 0.007 0.000 1.433 438 F CB 0.105 39.112 39.000 0.011 0.000 1.115 438 F HN 0.149 nan 8.300 nan 0.000 0.582 439 T N -3.863 110.770 114.554 0.132 0.000 3.215 439 T HA 0.467 4.816 4.350 -0.002 0.000 0.271 439 T C 1.401 176.119 174.700 0.029 0.000 1.012 439 T CA 0.143 62.287 62.100 0.074 0.000 0.899 439 T CB 0.051 68.949 68.868 0.050 0.000 1.089 439 T HN 0.329 nan 8.240 nan 0.000 0.552 440 G N 0.568 109.384 108.800 0.027 0.000 2.176 440 G HA2 -0.070 3.889 3.960 -0.002 0.000 0.252 440 G HA3 -0.070 3.889 3.960 -0.002 0.000 0.252 440 G C 0.435 175.325 174.900 -0.016 0.000 1.024 440 G CA -0.282 44.823 45.100 0.008 0.000 0.755 440 G HN 1.045 nan 8.290 nan 0.000 0.507 441 G N -0.809 107.973 108.800 -0.031 0.000 2.537 441 G HA2 0.612 4.571 3.960 -0.002 0.000 0.273 441 G HA3 0.612 4.571 3.960 -0.002 0.000 0.273 441 G C -0.125 174.753 174.900 -0.036 0.000 1.189 441 G CA -0.426 44.647 45.100 -0.044 0.000 0.881 441 G HN 0.466 nan 8.290 nan 0.000 0.535 442 K N 0.888 121.269 120.400 -0.031 0.000 2.464 442 K HA 0.333 4.652 4.320 -0.002 0.000 0.253 442 K C -2.772 173.820 176.600 -0.013 0.000 0.933 442 K CA -1.768 54.511 56.287 -0.013 0.000 0.801 442 K CB 2.757 35.259 32.500 0.004 0.000 1.271 442 K HN 0.150 nan 8.250 nan 0.000 0.430 443 P HA -0.088 nan 4.420 nan 0.000 0.255 443 P C 0.515 177.824 177.300 0.014 0.000 1.173 443 P CA 0.333 63.434 63.100 0.002 0.000 0.780 443 P CB 0.303 32.025 31.700 0.037 0.000 0.758 444 L N 3.780 124.972 121.223 -0.051 0.000 2.127 444 L HA -0.223 4.116 4.340 -0.002 0.000 0.211 444 L C 1.610 178.534 176.870 0.091 0.000 1.089 444 L CA 1.590 56.406 54.840 -0.039 0.000 0.757 444 L CB -0.282 41.689 42.059 -0.147 0.000 0.899 444 L HN 0.402 nan 8.230 nan 0.000 0.434 445 Y N -1.432 118.933 120.300 0.109 0.000 2.373 445 Y HA -0.187 4.361 4.550 -0.002 0.000 0.293 445 Y C 2.727 178.696 175.900 0.115 0.000 1.129 445 Y CA 0.640 58.825 58.100 0.141 0.000 1.226 445 Y CB 0.090 38.661 38.460 0.185 0.000 1.000 445 Y HN 0.218 nan 8.280 nan 0.000 0.549 446 S N -0.161 115.682 115.700 0.237 0.000 2.395 446 S HA -0.108 4.361 4.470 -0.002 0.000 0.225 446 S C 2.234 176.913 174.600 0.131 0.000 1.027 446 S CA 0.786 59.087 58.200 0.170 0.000 0.965 446 S CB -0.280 63.011 63.200 0.153 0.000 0.812 446 S HN 0.488 nan 8.310 nan 0.000 0.482 447 A N 1.245 124.134 122.820 0.116 0.000 1.969 447 A HA 0.057 4.376 4.320 -0.002 0.000 0.218 447 A C 1.985 179.628 177.584 0.099 0.000 1.169 447 A CA 0.941 53.029 52.037 0.085 0.000 0.635 447 A CB -0.561 18.475 19.000 0.060 0.000 0.810 447 A HN 0.479 nan 8.150 nan 0.000 0.445 448 I N -0.918 119.741 120.570 0.148 0.000 2.439 448 I HA -0.161 4.008 4.170 -0.002 0.000 0.251 448 I C 2.319 178.509 176.117 0.122 0.000 1.139 448 I CA 0.692 62.086 61.300 0.157 0.000 1.438 448 I CB -0.062 38.089 38.000 0.251 0.000 1.085 448 I HN 0.382 nan 8.210 nan 0.000 0.427 449 L N 1.043 122.340 121.223 0.124 0.000 2.072 449 L HA -0.047 4.292 4.340 -0.002 0.000 0.205 449 L C 2.518 179.424 176.870 0.061 0.000 1.079 449 L CA 1.999 56.891 54.840 0.088 0.000 0.752 449 L CB -0.693 41.421 42.059 0.092 0.000 0.906 449 L HN 0.147 nan 8.230 nan 0.000 0.436 450 A N -0.530 122.326 122.820 0.059 0.000 1.930 450 A HA -0.192 4.127 4.320 -0.002 0.000 0.217 450 A C 2.447 180.047 177.584 0.027 0.000 1.175 450 A CA 1.650 53.707 52.037 0.033 0.000 0.627 450 A CB -0.505 18.512 19.000 0.029 0.000 0.815 450 A HN 0.478 nan 8.150 nan 0.000 0.443 451 R N -1.002 119.520 120.500 0.037 0.000 2.090 451 R HA -0.058 4.281 4.340 -0.002 0.000 0.228 451 R C 2.178 178.493 176.300 0.024 0.000 1.110 451 R CA 1.763 57.879 56.100 0.027 0.000 0.973 451 R CB -0.443 29.878 30.300 0.034 0.000 0.869 451 R HN 0.539 nan 8.270 nan 0.000 0.440 452 T N 0.972 115.546 114.554 0.034 0.000 2.857 452 T HA -0.069 4.280 4.350 -0.002 0.000 0.266 452 T C 1.547 176.260 174.700 0.021 0.000 1.048 452 T CA 0.784 62.903 62.100 0.030 0.000 1.139 452 T CB -0.040 68.851 68.868 0.038 0.000 0.874 452 T HN 0.003 nan 8.240 nan 0.000 0.455 453 L N 0.955 122.190 121.223 0.020 0.000 2.156 453 L HA 0.239 4.578 4.340 -0.002 0.000 0.208 453 L C 2.677 179.550 176.870 0.005 0.000 1.095 453 L CA 1.048 55.895 54.840 0.012 0.000 0.770 453 L CB -0.956 41.109 42.059 0.010 0.000 0.914 453 L HN 0.232 nan 8.230 nan 0.000 0.439 454 A N -1.255 121.567 122.820 0.004 0.000 1.968 454 A HA -0.178 4.141 4.320 -0.002 0.000 0.217 454 A C 2.365 179.949 177.584 -0.001 0.000 1.169 454 A CA 1.296 53.333 52.037 -0.001 0.000 0.638 454 A CB -0.335 18.663 19.000 -0.002 0.000 0.812 454 A HN 0.311 nan 8.150 nan 0.000 0.446 455 K N -0.641 119.760 120.400 0.000 0.000 2.366 455 K HA -0.032 4.287 4.320 -0.002 0.000 0.198 455 K C 2.088 178.689 176.600 0.003 0.000 1.044 455 K CA 0.756 57.041 56.287 -0.003 0.000 0.973 455 K CB -0.044 32.451 32.500 -0.008 0.000 0.767 455 K HN 0.627 nan 8.250 nan 0.000 0.475 456 Q N 0.784 120.588 119.800 0.006 0.000 2.172 456 Q HA -0.156 4.183 4.340 -0.002 0.000 0.200 456 Q C 1.122 177.126 176.000 0.006 0.000 0.964 456 Q CA 1.487 57.295 55.803 0.008 0.000 0.855 456 Q CB 0.266 29.010 28.738 0.010 0.000 0.918 456 Q HN 0.449 nan 8.270 nan 0.000 0.444 457 E N -1.073 119.128 120.200 0.003 0.000 2.474 457 E HA 0.294 4.643 4.350 -0.002 0.000 0.195 457 E C 0.098 176.698 176.600 -0.000 0.000 1.039 457 E CA -0.014 56.387 56.400 0.001 0.000 0.881 457 E CB 0.536 30.236 29.700 -0.001 0.000 0.970 457 E HN 0.184 nan 8.360 nan 0.000 0.486 458 A N 0.000 122.820 122.820 -0.001 0.000 2.254 458 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 458 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 458 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 458 A HN 0.000 nan 8.150 nan 0.000 0.486