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 1d8e_1_B DATA FIRST_RESID 17 DATA SEQUENCE PVWSEPLYSL RPEHARERLQ DDSVETVTSI EQAKVEEKIQ EVFSSYKFNH DATA SEQUENCE LVPRLVLQRE KHFHYLKRGL RQLTDAYECL DASRPWLCYW ILHSLELLDE DATA SEQUENCE PIPQIVATDV CQFLELCQSP DGGFGGGPGQ YPHLAPTYAA VNALCIIGTE DATA SEQUENCE EAYNVINREK LLQYLYSLKQ PDGSFLMHVG GEVDVRSAYC AASVASLTNI DATA SEQUENCE ITPDLFEGTA EWIARCQNWE GGIGGVPGME AHGGYTFCGL AALVILKKER DATA SEQUENCE SLNLKSLLQW VTSRQMRFEG GFQGRCNKLV DGCYSFWQAG LLPLLHRALH DATA SEQUENCE AQGDPALSMS HWMFHQQALQ EYILMCCQCP AGGLLDKPGK SRDFYHTCYC DATA SEQUENCE LSGLSIAQHF GSGAMLHDVV MGVPENVLQP THPVYNIGPD KVIQATTHFL DATA SEQUENCE QKPVPGF 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 17 P HA 0.000 nan 4.420 nan 0.000 0.216 17 P C 0.000 177.030 177.300 -0.449 0.000 1.155 17 P CA 0.000 62.843 63.100 -0.428 0.000 0.800 17 P CB 0.000 31.267 31.700 -0.722 0.000 0.726 18 V N 0.631 120.341 119.914 -0.340 0.000 2.346 18 V HA -0.041 4.079 4.120 -0.000 0.000 0.244 18 V C 1.379 177.372 176.094 -0.167 0.000 1.037 18 V CA 1.730 63.926 62.300 -0.173 0.000 1.029 18 V CB -0.484 31.336 31.823 -0.005 0.000 0.663 18 V HN 0.654 nan 8.190 nan 0.000 0.454 19 W N 0.092 121.386 121.300 -0.011 0.000 2.699 19 W HA 0.196 4.856 4.660 -0.000 0.000 0.249 19 W C 0.686 177.194 176.519 -0.019 0.000 1.280 19 W CA 0.177 57.515 57.345 -0.012 0.000 1.345 19 W CB -1.457 27.998 29.460 -0.008 0.000 1.128 19 W HN 0.268 nan 8.180 nan 0.000 0.642 20 S N 2.339 117.634 115.700 -0.674 0.000 2.516 20 S HA 0.054 4.524 4.470 -0.000 0.000 0.282 20 S C -0.079 174.386 174.600 -0.225 0.000 1.286 20 S CA 0.140 58.007 58.200 -0.556 0.000 1.066 20 S CB 0.989 63.763 63.200 -0.709 0.000 0.884 20 S HN 0.085 nan 8.310 nan 0.000 0.491 21 E N 4.851 124.980 120.200 -0.118 0.000 2.105 21 E HA 0.229 4.579 4.350 -0.000 0.000 0.285 21 E C -1.418 175.117 176.600 -0.108 0.000 1.055 21 E CA -2.295 54.049 56.400 -0.094 0.000 0.843 21 E CB 0.754 30.416 29.700 -0.064 0.000 1.067 21 E HN 0.246 nan 8.360 nan 0.000 0.398 22 P HA -0.080 nan 4.420 nan 0.000 0.223 22 P C -0.051 177.201 177.300 -0.080 0.000 1.151 22 P CA 0.608 63.652 63.100 -0.094 0.000 0.787 22 P CB 0.362 32.004 31.700 -0.097 0.000 0.788 23 L N 0.036 121.189 121.223 -0.117 0.000 2.261 23 L HA 0.198 4.538 4.340 -0.000 0.000 0.289 23 L C 1.884 178.661 176.870 -0.155 0.000 1.059 23 L CA -0.789 53.966 54.840 -0.142 0.000 0.816 23 L CB 0.436 42.364 42.059 -0.219 0.000 1.191 23 L HN -0.163 nan 8.230 nan 0.000 0.431 24 Y N 2.929 123.086 120.300 -0.238 0.000 2.139 24 Y HA -0.373 4.177 4.550 -0.000 0.000 0.282 24 Y C 2.395 178.008 175.900 -0.479 0.000 1.179 24 Y CA 2.343 60.289 58.100 -0.258 0.000 1.161 24 Y CB 0.274 38.589 38.460 -0.242 0.000 0.970 24 Y HN 0.675 nan 8.280 nan 0.000 0.511 25 S N 0.121 115.448 115.700 -0.622 0.000 2.428 25 S HA -0.091 4.379 4.470 -0.000 0.000 0.230 25 S C 1.820 175.769 174.600 -1.085 0.000 1.014 25 S CA 1.337 58.682 58.200 -1.424 0.000 0.957 25 S CB -0.289 61.873 63.200 -1.729 0.000 0.784 25 S HN 0.467 nan 8.310 nan 0.000 0.499 26 L N 0.497 121.353 121.223 -0.611 0.000 2.375 26 L HA 0.144 4.484 4.340 -0.000 0.000 0.215 26 L C 0.768 177.532 176.870 -0.177 0.000 1.108 26 L CA 0.174 54.820 54.840 -0.323 0.000 0.830 26 L CB -0.289 41.630 42.059 -0.234 0.000 0.959 26 L HN 0.104 nan 8.230 nan 0.000 0.457 27 R N 1.066 121.445 120.500 -0.201 0.000 2.583 27 R HA -0.054 4.286 4.340 -0.000 0.000 0.274 27 R C -1.409 174.879 176.300 -0.019 0.000 0.998 27 R CA -0.989 55.053 56.100 -0.097 0.000 1.081 27 R CB -0.056 30.160 30.300 -0.140 0.000 0.940 27 R HN -0.114 nan 8.270 nan 0.000 0.413 28 P HA -0.205 nan 4.420 nan 0.000 0.216 28 P C 0.302 177.630 177.300 0.046 0.000 1.150 28 P CA 1.328 64.455 63.100 0.045 0.000 0.843 28 P CB 0.280 32.007 31.700 0.045 0.000 0.787 29 E N -1.826 118.387 120.200 0.021 0.000 2.110 29 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 29 E C 1.935 178.537 176.600 0.002 0.000 0.988 29 E CA 1.164 57.566 56.400 0.003 0.000 0.804 29 E CB -1.415 28.275 29.700 -0.017 0.000 0.745 29 E HN 0.431 nan 8.360 nan 0.000 0.458 30 H N 0.699 119.698 119.070 -0.118 0.000 2.431 30 H HA -0.145 4.411 4.556 -0.000 0.000 0.297 30 H C 1.871 177.265 175.328 0.110 0.000 1.115 30 H CA 1.839 57.823 56.048 -0.106 0.000 1.277 30 H CB -0.229 29.392 29.762 -0.235 0.000 1.372 30 H HN 0.224 nan 8.280 nan 0.000 0.516 31 A N 0.807 123.724 122.820 0.161 0.000 2.024 31 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 31 A C 2.313 179.900 177.584 0.006 0.000 1.164 31 A CA 1.576 53.705 52.037 0.154 0.000 0.643 31 A CB -0.445 18.630 19.000 0.126 0.000 0.806 31 A HN 0.529 nan 8.150 nan 0.000 0.451 32 R N -0.252 120.236 120.500 -0.021 0.000 2.285 32 R HA -0.050 4.290 4.340 -0.000 0.000 0.213 32 R C 0.702 176.960 176.300 -0.070 0.000 1.068 32 R CA 0.850 56.923 56.100 -0.044 0.000 1.004 32 R CB -0.079 30.204 30.300 -0.029 0.000 0.873 32 R HN 0.464 nan 8.270 nan 0.000 0.467 33 E N 0.744 120.888 120.200 -0.095 0.000 2.511 33 E HA -0.001 4.348 4.350 -0.000 0.000 0.196 33 E C 0.284 176.835 176.600 -0.081 0.000 1.066 33 E CA 0.269 56.627 56.400 -0.070 0.000 0.871 33 E CB 0.049 29.661 29.700 -0.147 0.000 0.863 33 E HN 0.102 nan 8.360 nan 0.000 0.520 34 R N 0.875 121.226 120.500 -0.248 0.000 2.694 34 R HA 0.096 4.436 4.340 -0.000 0.000 0.268 34 R C 0.563 176.735 176.300 -0.213 0.000 1.061 34 R CA -0.669 55.164 56.100 -0.446 0.000 1.133 34 R CB 0.208 30.236 30.300 -0.453 0.000 1.020 34 R HN 0.069 nan 8.270 nan 0.000 0.475 35 L N 1.928 123.037 121.223 -0.191 0.000 2.514 35 L HA -0.060 4.280 4.340 -0.000 0.000 0.280 35 L C -0.148 176.675 176.870 -0.079 0.000 1.223 35 L CA 1.098 55.880 54.840 -0.097 0.000 0.864 35 L CB 0.300 42.315 42.059 -0.074 0.000 1.118 35 L HN 0.429 nan 8.230 nan 0.000 0.494 36 Q N 3.439 123.210 119.800 -0.048 0.000 2.456 36 Q HA 0.166 4.506 4.340 -0.000 0.000 0.252 36 Q C -0.147 175.840 176.000 -0.023 0.000 1.042 36 Q CA -0.369 55.413 55.803 -0.036 0.000 0.766 36 Q CB 0.964 29.685 28.738 -0.028 0.000 1.196 36 Q HN 0.764 nan 8.270 nan 0.000 0.504 37 D N 1.387 121.773 120.400 -0.023 0.000 2.363 37 D HA -0.129 4.511 4.640 -0.000 0.000 0.226 37 D C -0.387 175.909 176.300 -0.007 0.000 1.020 37 D CA 0.216 54.208 54.000 -0.013 0.000 0.892 37 D CB 0.209 41.001 40.800 -0.013 0.000 0.900 37 D HN 0.423 nan 8.370 nan 0.000 0.531 38 D N -0.344 120.051 120.400 -0.009 0.000 2.837 38 D HA -0.212 4.428 4.640 -0.000 0.000 0.230 38 D C -0.045 176.253 176.300 -0.004 0.000 1.152 38 D CA 0.967 54.964 54.000 -0.005 0.000 0.736 38 D CB -2.125 38.674 40.800 -0.001 0.000 1.084 38 D HN 0.222 nan 8.370 nan 0.000 0.429 39 S N -2.750 112.946 115.700 -0.007 0.000 3.445 39 S HA -0.230 4.240 4.470 -0.000 0.000 0.319 39 S C 0.288 174.886 174.600 -0.002 0.000 1.209 39 S CA 0.966 59.163 58.200 -0.005 0.000 0.934 39 S CB -0.715 62.483 63.200 -0.005 0.000 0.999 39 S HN 0.424 nan 8.310 nan 0.000 0.582 40 V N 1.841 121.754 119.914 -0.001 0.000 2.326 40 V HA 0.307 4.427 4.120 -0.000 0.000 0.281 40 V C 0.275 176.371 176.094 0.003 0.000 1.015 40 V CA -0.531 61.770 62.300 0.002 0.000 0.823 40 V CB 1.501 33.327 31.823 0.005 0.000 1.009 40 V HN 0.312 nan 8.190 nan 0.000 0.436 41 E N 3.415 123.617 120.200 0.004 0.000 2.174 41 E HA 0.581 4.931 4.350 -0.000 0.000 0.282 41 E C -0.041 176.564 176.600 0.009 0.000 0.992 41 E CA -0.327 56.075 56.400 0.005 0.000 0.803 41 E CB 1.806 31.508 29.700 0.003 0.000 1.090 41 E HN 0.802 nan 8.360 nan 0.000 0.396 42 T N -1.889 112.672 114.554 0.012 0.000 2.901 42 T HA 0.218 4.568 4.350 -0.000 0.000 0.293 42 T C 1.078 175.789 174.700 0.018 0.000 1.084 42 T CA -0.836 61.274 62.100 0.016 0.000 1.008 42 T CB 1.186 70.067 68.868 0.020 0.000 1.170 42 T HN 0.102 nan 8.240 nan 0.000 0.509 43 V N 1.290 121.217 119.914 0.022 0.000 2.324 43 V HA -0.223 3.897 4.120 -0.000 0.000 0.250 43 V C 2.909 179.019 176.094 0.028 0.000 1.060 43 V CA 2.777 65.091 62.300 0.024 0.000 1.042 43 V CB -1.497 30.343 31.823 0.027 0.000 0.650 43 V HN 1.115 nan 8.190 nan 0.000 0.450 44 T N 0.640 115.213 114.554 0.031 0.000 2.635 44 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 44 T C 2.114 176.831 174.700 0.028 0.000 1.040 44 T CA 2.192 64.313 62.100 0.035 0.000 1.156 44 T CB -0.472 68.419 68.868 0.038 0.000 0.863 44 T HN 0.764 nan 8.240 nan 0.000 0.430 45 S N 1.666 117.379 115.700 0.021 0.000 2.356 45 S HA -0.045 4.425 4.470 -0.000 0.000 0.223 45 S C 2.115 176.721 174.600 0.009 0.000 1.032 45 S CA 0.902 59.109 58.200 0.012 0.000 1.005 45 S CB -0.889 62.315 63.200 0.006 0.000 0.867 45 S HN 0.477 nan 8.310 nan 0.000 0.449 46 I N 1.999 122.575 120.570 0.011 0.000 2.118 46 I HA -0.199 3.971 4.170 -0.000 0.000 0.241 46 I C 3.005 179.130 176.117 0.014 0.000 1.070 46 I CA 1.742 63.047 61.300 0.009 0.000 1.327 46 I CB -0.484 37.522 38.000 0.011 0.000 1.034 46 I HN 0.272 nan 8.210 nan 0.000 0.405 47 E N 0.362 120.575 120.200 0.022 0.000 2.058 47 E HA -0.296 4.054 4.350 -0.000 0.000 0.194 47 E C 1.990 178.609 176.600 0.032 0.000 0.997 47 E CA 1.426 57.844 56.400 0.029 0.000 0.801 47 E CB -0.451 29.271 29.700 0.038 0.000 0.746 47 E HN 0.434 nan 8.360 nan 0.000 0.450 48 Q N 0.817 120.635 119.800 0.030 0.000 2.096 48 Q HA -0.098 4.241 4.340 -0.000 0.000 0.204 48 Q C 1.958 177.972 176.000 0.022 0.000 0.982 48 Q CA 2.111 57.934 55.803 0.033 0.000 0.850 48 Q CB -0.522 28.230 28.738 0.025 0.000 0.901 48 Q HN 0.212 nan 8.270 nan 0.000 0.422 49 A N 0.667 123.489 122.820 0.004 0.000 1.865 49 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 49 A C 2.042 179.625 177.584 -0.002 0.000 1.191 49 A CA 1.968 53.996 52.037 -0.015 0.000 0.623 49 A CB -0.593 18.396 19.000 -0.018 0.000 0.826 49 A HN 0.455 nan 8.150 nan 0.000 0.444 50 K N -0.538 119.868 120.400 0.010 0.000 2.044 50 K HA -0.126 4.194 4.320 -0.000 0.000 0.210 50 K C 1.905 178.522 176.600 0.028 0.000 1.049 50 K CA 1.614 57.910 56.287 0.016 0.000 0.927 50 K CB -0.487 32.024 32.500 0.018 0.000 0.713 50 K HN 0.327 nan 8.250 nan 0.000 0.443 51 V N 1.799 121.739 119.914 0.043 0.000 2.295 51 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 51 V C 2.090 178.241 176.094 0.094 0.000 1.049 51 V CA 1.786 64.125 62.300 0.065 0.000 1.024 51 V CB -0.451 31.421 31.823 0.082 0.000 0.648 51 V HN 0.340 nan 8.190 nan 0.000 0.447 52 E N -0.304 119.958 120.200 0.103 0.000 2.085 52 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 52 E C 2.310 178.993 176.600 0.138 0.000 0.994 52 E CA 1.407 57.908 56.400 0.168 0.000 0.801 52 E CB -0.142 29.525 29.700 -0.055 0.000 0.743 52 E HN 0.654 nan 8.360 nan 0.000 0.453 53 E N 0.975 121.200 120.200 0.042 0.000 2.072 53 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 53 E C 2.017 178.647 176.600 0.050 0.000 0.985 53 E CA 1.031 57.454 56.400 0.038 0.000 0.801 53 E CB 0.128 29.836 29.700 0.013 0.000 0.750 53 E HN -0.083 nan 8.360 nan 0.000 0.452 54 K N 0.735 121.155 120.400 0.033 0.000 2.057 54 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 54 K C 1.990 178.565 176.600 -0.042 0.000 1.050 54 K CA 0.957 57.246 56.287 0.002 0.000 0.935 54 K CB -0.233 32.267 32.500 -0.000 0.000 0.715 54 K HN 0.108 nan 8.250 nan 0.000 0.439 55 I N 1.112 121.655 120.570 -0.045 0.000 2.286 55 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 55 I C 2.251 178.121 176.117 -0.411 0.000 1.115 55 I CA 1.266 62.406 61.300 -0.267 0.000 1.392 55 I CB -1.159 36.711 38.000 -0.217 0.000 1.065 55 I HN 0.357 nan 8.210 nan 0.000 0.418 56 Q N 1.586 121.387 119.800 0.002 0.000 2.061 56 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 56 Q C 2.036 178.084 176.000 0.080 0.000 0.984 56 Q CA 1.941 57.849 55.803 0.174 0.000 0.846 56 Q CB -0.206 28.700 28.738 0.280 0.000 0.902 56 Q HN 0.516 nan 8.270 nan 0.000 0.421 57 E N -0.978 119.249 120.200 0.046 0.000 2.070 57 E HA -0.199 4.151 4.350 -0.000 0.000 0.197 57 E C 2.013 178.607 176.600 -0.011 0.000 1.004 57 E CA 1.645 58.080 56.400 0.059 0.000 0.805 57 E CB -0.213 29.506 29.700 0.032 0.000 0.744 57 E HN 0.195 nan 8.360 nan 0.000 0.451 58 V N 0.988 120.840 119.914 -0.104 0.000 2.252 58 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 58 V C 2.048 178.167 176.094 0.042 0.000 1.056 58 V CA 1.958 64.188 62.300 -0.117 0.000 1.022 58 V CB -0.661 31.038 31.823 -0.206 0.000 0.641 58 V HN 0.293 nan 8.190 nan 0.000 0.445 59 F N 0.503 120.462 119.950 0.015 0.000 2.095 59 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 59 F C 2.575 178.387 175.800 0.020 0.000 1.104 59 F CA 1.313 59.338 58.000 0.041 0.000 1.232 59 F CB -0.392 38.605 39.000 -0.005 0.000 0.987 59 F HN 0.144 nan 8.300 nan 0.000 0.475 60 S N -0.136 115.637 115.700 0.122 0.000 2.561 60 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 60 S C 1.986 176.394 174.600 -0.321 0.000 0.977 60 S CA 0.768 58.844 58.200 -0.206 0.000 0.926 60 S CB -0.422 62.554 63.200 -0.372 0.000 0.769 60 S HN 0.449 nan 8.310 nan 0.000 0.533 61 S N 1.469 117.048 115.700 -0.202 0.000 2.387 61 S HA -0.236 4.234 4.470 -0.000 0.000 0.230 61 S C 1.580 175.973 174.600 -0.345 0.000 1.035 61 S CA 1.142 59.172 58.200 -0.283 0.000 1.014 61 S CB -0.923 62.022 63.200 -0.426 0.000 0.836 61 S HN 0.613 nan 8.310 nan 0.000 0.466 62 Y N 2.262 122.509 120.300 -0.087 0.000 2.181 62 Y HA -0.013 4.537 4.550 -0.000 0.000 0.288 62 Y C 2.750 178.570 175.900 -0.133 0.000 1.146 62 Y CA 1.432 59.482 58.100 -0.083 0.000 1.164 62 Y CB -0.388 38.032 38.460 -0.067 0.000 0.982 62 Y HN 0.277 nan 8.280 nan 0.000 0.515 63 K N 0.478 120.826 120.400 -0.088 0.000 2.002 63 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 63 K C 1.730 178.168 176.600 -0.271 0.000 1.048 63 K CA 1.886 58.044 56.287 -0.214 0.000 0.930 63 K CB -0.563 31.693 32.500 -0.406 0.000 0.714 63 K HN 0.327 nan 8.250 nan 0.000 0.438 64 F N 0.839 120.680 119.950 -0.183 0.000 2.407 64 F HA -0.056 4.471 4.527 -0.000 0.000 0.299 64 F C 1.800 177.304 175.800 -0.493 0.000 1.097 64 F CA -0.043 57.773 58.000 -0.307 0.000 1.422 64 F CB 0.019 38.930 39.000 -0.148 0.000 1.067 64 F HN 0.143 nan 8.300 nan 0.000 0.539 65 N N -1.291 117.291 118.700 -0.196 0.000 2.392 65 N HA -0.060 4.680 4.740 -0.000 0.000 0.177 65 N C -0.293 175.172 175.510 -0.075 0.000 1.066 65 N CA 0.550 53.526 53.050 -0.124 0.000 0.895 65 N CB -0.224 38.236 38.487 -0.045 0.000 0.988 65 N HN 0.208 nan 8.380 nan 0.000 0.457 66 H N -0.631 118.492 119.070 0.089 0.000 2.904 66 H HA -0.113 4.443 4.556 -0.000 0.000 0.333 66 H C -0.730 174.638 175.328 0.067 0.000 1.271 66 H CA 0.467 56.560 56.048 0.075 0.000 1.183 66 H CB -2.071 27.731 29.762 0.067 0.000 1.519 66 H HN 0.170 nan 8.280 nan 0.000 0.441 67 L N -0.490 120.817 121.223 0.139 0.000 2.409 67 L HA 0.521 4.861 4.340 -0.000 0.000 0.262 67 L C 0.469 177.411 176.870 0.120 0.000 0.992 67 L CA -1.263 53.654 54.840 0.128 0.000 0.817 67 L CB 2.682 44.821 42.059 0.134 0.000 1.350 67 L HN 0.071 nan 8.230 nan 0.000 0.411 68 V N 2.705 122.659 119.914 0.068 0.000 2.455 68 V HA 0.418 4.537 4.120 -0.000 0.000 0.273 68 V C -1.935 174.133 176.094 -0.044 0.000 1.045 68 V CA -1.225 61.078 62.300 0.006 0.000 0.976 68 V CB 0.736 32.551 31.823 -0.014 0.000 0.993 68 V HN 0.641 nan 8.190 nan 0.000 0.475 69 P HA 0.202 nan 4.420 nan 0.000 0.263 69 P C -0.985 176.115 177.300 -0.333 0.000 1.195 69 P CA 0.101 62.851 63.100 -0.583 0.000 0.762 69 P CB 0.165 31.229 31.700 -1.060 0.000 0.799 70 R N 3.099 123.464 120.500 -0.224 0.000 2.451 70 R HA 0.508 4.848 4.340 -0.000 0.000 0.307 70 R C -0.598 175.647 176.300 -0.091 0.000 0.965 70 R CA -0.899 55.130 56.100 -0.119 0.000 0.865 70 R CB 0.899 31.170 30.300 -0.048 0.000 1.174 70 R HN 0.305 nan 8.270 nan 0.000 0.455 71 L N 4.315 125.480 121.223 -0.096 0.000 2.295 71 L HA 0.323 4.663 4.340 -0.000 0.000 0.288 71 L C -0.569 176.288 176.870 -0.023 0.000 1.079 71 L CA -0.829 53.979 54.840 -0.053 0.000 0.830 71 L CB 1.178 43.199 42.059 -0.063 0.000 1.200 71 L HN 0.473 nan 8.230 nan 0.000 0.438 72 V N 4.569 124.481 119.914 -0.003 0.000 2.448 72 V HA 0.263 4.383 4.120 -0.000 0.000 0.295 72 V C -0.042 176.057 176.094 0.008 0.000 1.025 72 V CA -0.715 61.584 62.300 -0.003 0.000 0.859 72 V CB 2.296 34.114 31.823 -0.008 0.000 0.988 72 V HN 0.456 nan 8.190 nan 0.000 0.431 73 L N 5.363 126.594 121.223 0.015 0.000 2.295 73 L HA 0.373 4.713 4.340 -0.000 0.000 0.288 73 L C 0.809 177.671 176.870 -0.014 0.000 1.079 73 L CA 0.317 55.185 54.840 0.046 0.000 0.830 73 L CB 0.820 42.920 42.059 0.067 0.000 1.200 73 L HN 0.631 nan 8.230 nan 0.000 0.438 74 Q N 5.314 125.046 119.800 -0.112 0.000 3.034 74 Q HA -0.003 4.337 4.340 -0.000 0.000 0.249 74 Q C 1.071 176.821 176.000 -0.416 0.000 1.282 74 Q CA 0.242 55.866 55.803 -0.299 0.000 0.918 74 Q CB -0.477 28.020 28.738 -0.402 0.000 1.772 74 Q HN 0.721 nan 8.270 nan 0.000 0.498 75 R N 0.622 121.052 120.500 -0.117 0.000 2.112 75 R HA -0.258 4.082 4.340 -0.000 0.000 0.242 75 R C 1.957 178.282 176.300 0.040 0.000 1.137 75 R CA 1.838 57.944 56.100 0.009 0.000 0.944 75 R CB -0.121 30.189 30.300 0.017 0.000 0.857 75 R HN 0.367 nan 8.270 nan 0.000 0.435 76 E N 1.134 121.337 120.200 0.006 0.000 2.065 76 E HA -0.224 4.126 4.350 -0.000 0.000 0.201 76 E C 1.783 178.466 176.600 0.138 0.000 1.016 76 E CA 1.661 58.110 56.400 0.081 0.000 0.818 76 E CB 0.044 29.756 29.700 0.020 0.000 0.749 76 E HN 0.030 nan 8.360 nan 0.000 0.453 77 K N -0.285 120.103 120.400 -0.020 0.000 2.032 77 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 77 K C 2.222 178.899 176.600 0.128 0.000 1.048 77 K CA 1.685 57.959 56.287 -0.021 0.000 0.927 77 K CB -0.637 31.754 32.500 -0.182 0.000 0.712 77 K HN 0.424 nan 8.250 nan 0.000 0.441 78 H N -0.516 118.658 119.070 0.174 0.000 2.357 78 H HA -0.100 4.456 4.556 -0.000 0.000 0.301 78 H C 1.966 177.455 175.328 0.269 0.000 1.082 78 H CA 1.033 57.210 56.048 0.215 0.000 1.342 78 H CB -0.751 29.101 29.762 0.150 0.000 1.389 78 H HN 0.160 nan 8.280 nan 0.000 0.511 79 F N 1.670 121.752 119.950 0.220 0.000 2.095 79 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 79 F C 2.831 178.720 175.800 0.149 0.000 1.104 79 F CA 1.911 59.997 58.000 0.144 0.000 1.232 79 F CB -0.512 38.542 39.000 0.091 0.000 0.987 79 F HN 0.246 nan 8.300 nan 0.000 0.475 80 H N -1.122 117.953 119.070 0.010 0.000 2.321 80 H HA -0.266 4.289 4.556 -0.000 0.000 0.300 80 H C 2.260 177.572 175.328 -0.027 0.000 1.087 80 H CA 2.271 58.261 56.048 -0.098 0.000 1.319 80 H CB -1.058 28.735 29.762 0.052 0.000 1.379 80 H HN 0.432 nan 8.280 nan 0.000 0.501 81 Y N 1.394 121.710 120.300 0.027 0.000 2.114 81 Y HA -0.233 4.317 4.550 -0.000 0.000 0.282 81 Y C 2.583 178.526 175.900 0.072 0.000 1.165 81 Y CA 1.723 59.853 58.100 0.050 0.000 1.148 81 Y CB -0.785 37.739 38.460 0.107 0.000 0.972 81 Y HN 0.154 nan 8.280 nan 0.000 0.504 82 L N 0.214 121.404 121.223 -0.055 0.000 1.988 82 L HA -0.218 4.121 4.340 -0.000 0.000 0.207 82 L C 2.662 179.336 176.870 -0.326 0.000 1.071 82 L CA 1.983 56.731 54.840 -0.153 0.000 0.744 82 L CB -0.800 41.218 42.059 -0.067 0.000 0.893 82 L HN 0.074 nan 8.230 nan 0.000 0.433 83 K N 0.183 120.296 120.400 -0.478 0.000 2.071 83 K HA -0.324 3.996 4.320 -0.000 0.000 0.217 83 K C 2.357 178.711 176.600 -0.410 0.000 1.054 83 K CA 2.212 58.165 56.287 -0.556 0.000 0.937 83 K CB -0.150 31.818 32.500 -0.886 0.000 0.719 83 K HN 0.107 nan 8.250 nan 0.000 0.454 84 R N -0.569 119.681 120.500 -0.417 0.000 2.062 84 R HA -0.077 4.263 4.340 -0.000 0.000 0.229 84 R C 2.414 178.534 176.300 -0.300 0.000 1.128 84 R CA 1.617 57.522 56.100 -0.325 0.000 0.960 84 R CB -0.647 29.464 30.300 -0.316 0.000 0.855 84 R HN 0.410 nan 8.270 nan 0.000 0.432 85 G N 1.366 109.960 108.800 -0.344 0.000 2.469 85 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.220 85 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.220 85 G C 1.280 175.849 174.900 -0.552 0.000 1.136 85 G CA 0.777 45.562 45.100 -0.525 0.000 0.759 85 G HN 0.315 nan 8.290 nan 0.000 0.562 86 L N -0.260 120.682 121.223 -0.469 0.000 2.261 86 L HA 0.110 4.450 4.340 -0.000 0.000 0.216 86 L C 2.594 179.266 176.870 -0.329 0.000 1.114 86 L CA 1.663 56.271 54.840 -0.387 0.000 0.777 86 L CB -0.209 41.667 42.059 -0.305 0.000 0.910 86 L HN 0.133 nan 8.230 nan 0.000 0.440 87 R N -0.772 119.552 120.500 -0.293 0.000 2.087 87 R HA 0.191 4.531 4.340 -0.000 0.000 0.213 87 R C 0.317 176.480 176.300 -0.228 0.000 1.137 87 R CA 0.927 56.882 56.100 -0.241 0.000 1.022 87 R CB 0.200 30.386 30.300 -0.190 0.000 0.920 87 R HN 0.639 nan 8.270 nan 0.000 0.451 88 Q N -0.945 118.727 119.800 -0.212 0.000 2.565 88 Q HA 0.534 4.874 4.340 -0.000 0.000 0.294 88 Q C -1.561 174.344 176.000 -0.159 0.000 1.005 88 Q CA -0.948 54.755 55.803 -0.167 0.000 0.771 88 Q CB 1.794 30.466 28.738 -0.110 0.000 1.486 88 Q HN 0.035 nan 8.270 nan 0.000 0.422 89 L N 0.568 121.732 121.223 -0.099 0.000 2.415 89 L HA 0.597 4.937 4.340 -0.000 0.000 0.256 89 L C 0.051 176.958 176.870 0.061 0.000 1.010 89 L CA -0.783 54.031 54.840 -0.045 0.000 0.826 89 L CB 2.502 44.507 42.059 -0.091 0.000 1.405 89 L HN 0.986 nan 8.230 nan 0.000 0.410 90 T N -3.730 110.910 114.554 0.144 0.000 2.732 90 T HA 0.074 4.424 4.350 -0.000 0.000 0.287 90 T C 0.812 175.606 174.700 0.157 0.000 0.993 90 T CA 0.003 62.188 62.100 0.142 0.000 0.966 90 T CB 0.544 69.505 68.868 0.156 0.000 1.047 90 T HN 0.776 nan 8.240 nan 0.000 0.527 91 D N -0.304 120.162 120.400 0.110 0.000 2.384 91 D HA -0.040 4.600 4.640 -0.000 0.000 0.222 91 D C 1.876 178.233 176.300 0.096 0.000 0.976 91 D CA 0.969 55.024 54.000 0.091 0.000 0.915 91 D CB -0.652 40.185 40.800 0.061 0.000 0.896 91 D HN 0.652 nan 8.370 nan 0.000 0.523 92 A N -0.206 122.689 122.820 0.125 0.000 1.968 92 A HA -0.095 4.224 4.320 -0.000 0.000 0.217 92 A C 1.174 178.750 177.584 -0.012 0.000 1.169 92 A CA 0.409 52.484 52.037 0.063 0.000 0.638 92 A CB -0.914 18.136 19.000 0.084 0.000 0.812 92 A HN 0.266 nan 8.150 nan 0.000 0.446 93 Y N 1.038 121.396 120.300 0.097 0.000 2.706 93 Y HA 0.135 4.685 4.550 -0.000 0.000 0.362 93 Y C 1.695 177.646 175.900 0.085 0.000 1.107 93 Y CA 0.063 58.231 58.100 0.113 0.000 1.477 93 Y CB -0.370 38.168 38.460 0.130 0.000 1.326 93 Y HN 0.492 nan 8.280 nan 0.000 0.499 94 E N -1.002 119.255 120.200 0.095 0.000 2.051 94 E HA -0.158 4.192 4.350 -0.000 0.000 0.189 94 E C 1.552 178.191 176.600 0.065 0.000 0.979 94 E CA 1.058 57.506 56.400 0.080 0.000 0.803 94 E CB -0.082 29.649 29.700 0.052 0.000 0.761 94 E HN 0.403 nan 8.360 nan 0.000 0.451 95 C N 0.744 120.064 119.300 0.033 0.000 2.485 95 C HA 0.019 4.479 4.460 -0.000 0.000 0.283 95 C C 1.603 176.626 174.990 0.055 0.000 1.478 95 C CA 0.194 59.230 59.018 0.030 0.000 1.741 95 C CB -1.075 26.667 27.740 0.004 0.000 1.675 95 C HN 0.281 nan 8.230 nan 0.000 0.573 96 L N 0.225 121.509 121.223 0.101 0.000 2.818 96 L HA 0.162 4.502 4.340 -0.000 0.000 0.243 96 L C 1.617 178.577 176.870 0.151 0.000 1.185 96 L CA 0.387 55.324 54.840 0.162 0.000 0.988 96 L CB -0.166 42.075 42.059 0.303 0.000 1.292 96 L HN 0.107 nan 8.230 nan 0.000 0.519 97 D N 0.743 121.208 120.400 0.108 0.000 2.219 97 D HA -0.122 4.518 4.640 -0.000 0.000 0.205 97 D C 1.895 178.240 176.300 0.074 0.000 0.970 97 D CA 1.196 55.251 54.000 0.091 0.000 0.851 97 D CB 0.470 41.311 40.800 0.068 0.000 0.943 97 D HN 0.261 nan 8.370 nan 0.000 0.488 98 A N -0.876 121.980 122.820 0.059 0.000 2.379 98 A HA 0.319 4.639 4.320 -0.000 0.000 0.236 98 A C 0.828 178.439 177.584 0.046 0.000 1.272 98 A CA -0.074 51.982 52.037 0.032 0.000 0.886 98 A CB 0.317 19.320 19.000 0.005 0.000 0.962 98 A HN 0.080 nan 8.150 nan 0.000 0.504 99 S N -0.722 115.036 115.700 0.097 0.000 2.901 99 S HA 0.189 4.659 4.470 -0.000 0.000 0.248 99 S C 0.999 175.687 174.600 0.148 0.000 1.021 99 S CA -0.564 57.735 58.200 0.165 0.000 1.090 99 S CB 0.127 63.436 63.200 0.182 0.000 1.039 99 S HN 0.572 nan 8.310 nan 0.000 0.514 100 R N 1.894 122.465 120.500 0.118 0.000 2.081 100 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 100 R C -1.068 175.279 176.300 0.079 0.000 1.131 100 R CA 1.389 57.570 56.100 0.134 0.000 0.960 100 R CB -1.538 28.917 30.300 0.258 0.000 0.856 100 R HN 0.295 nan 8.270 nan 0.000 0.436 101 P HA -0.183 nan 4.420 nan 0.000 0.216 101 P C 0.444 177.593 177.300 -0.251 0.000 1.150 101 P CA 1.168 64.169 63.100 -0.165 0.000 0.837 101 P CB -0.102 31.393 31.700 -0.342 0.000 0.786 102 W N -0.708 120.398 121.300 -0.322 0.000 2.338 102 W HA -0.130 4.530 4.660 -0.000 0.000 0.304 102 W C 2.171 178.249 176.519 -0.735 0.000 1.212 102 W CA 0.569 57.506 57.345 -0.681 0.000 1.264 102 W CB -0.945 27.904 29.460 -1.020 0.000 1.142 102 W HN -0.106 nan 8.180 nan 0.000 0.512 103 L N -0.928 120.202 121.223 -0.154 0.000 2.017 103 L HA -0.294 4.046 4.340 -0.000 0.000 0.208 103 L C 2.451 179.279 176.870 -0.070 0.000 1.073 103 L CA 1.331 56.160 54.840 -0.019 0.000 0.745 103 L CB -1.207 40.822 42.059 -0.050 0.000 0.894 103 L HN 0.060 nan 8.230 nan 0.000 0.432 104 C N -1.217 118.028 119.300 -0.091 0.000 2.393 104 C HA -0.264 4.196 4.460 -0.000 0.000 0.276 104 C C 2.708 177.669 174.990 -0.048 0.000 1.215 104 C CA 0.879 59.839 59.018 -0.096 0.000 1.743 104 C CB -1.034 26.667 27.740 -0.064 0.000 2.044 104 C HN 0.549 nan 8.230 nan 0.000 0.464 105 Y N 0.631 120.832 120.300 -0.164 0.000 2.089 105 Y HA -0.208 4.342 4.550 -0.000 0.000 0.282 105 Y C 2.423 178.377 175.900 0.089 0.000 1.139 105 Y CA 1.673 59.705 58.100 -0.113 0.000 1.123 105 Y CB -0.730 37.589 38.460 -0.235 0.000 0.980 105 Y HN 0.348 nan 8.280 nan 0.000 0.493 106 W N 0.624 121.950 121.300 0.043 0.000 2.290 106 W HA -0.293 4.367 4.660 -0.000 0.000 0.318 106 W C 2.387 178.784 176.519 -0.204 0.000 1.248 106 W CA 1.878 59.157 57.345 -0.110 0.000 1.263 106 W CB -1.360 28.212 29.460 0.186 0.000 1.147 106 W HN 0.247 nan 8.180 nan 0.000 0.494 107 I N -0.608 120.001 120.570 0.065 0.000 2.162 107 I HA -0.300 3.870 4.170 -0.000 0.000 0.238 107 I C 2.581 178.636 176.117 -0.102 0.000 1.076 107 I CA 1.077 62.337 61.300 -0.066 0.000 1.353 107 I CB -1.063 36.795 38.000 -0.236 0.000 1.063 107 I HN -0.215 nan 8.210 nan 0.000 0.408 108 L N -0.090 121.064 121.223 -0.115 0.000 1.997 108 L HA -0.332 4.008 4.340 -0.000 0.000 0.216 108 L C 2.788 179.602 176.870 -0.094 0.000 1.074 108 L CA 1.875 56.657 54.840 -0.095 0.000 0.763 108 L CB -1.036 40.975 42.059 -0.080 0.000 0.890 108 L HN 0.381 nan 8.230 nan 0.000 0.434 109 H N -0.189 118.690 119.070 -0.318 0.000 2.319 109 H HA -0.154 4.402 4.556 -0.000 0.000 0.299 109 H C 2.445 177.634 175.328 -0.231 0.000 1.092 109 H CA 1.852 57.689 56.048 -0.351 0.000 1.302 109 H CB -0.160 29.159 29.762 -0.738 0.000 1.373 109 H HN 0.135 nan 8.280 nan 0.000 0.497 110 S N -0.076 115.450 115.700 -0.290 0.000 2.374 110 S HA -0.160 4.310 4.470 -0.000 0.000 0.227 110 S C 2.373 176.880 174.600 -0.155 0.000 1.037 110 S CA 1.452 59.496 58.200 -0.260 0.000 1.024 110 S CB -0.376 62.748 63.200 -0.127 0.000 0.861 110 S HN 0.365 nan 8.310 nan 0.000 0.456 111 L N 1.121 122.297 121.223 -0.079 0.000 2.017 111 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 111 L C 2.703 179.557 176.870 -0.028 0.000 1.073 111 L CA 1.689 56.532 54.840 0.005 0.000 0.745 111 L CB -0.680 41.400 42.059 0.035 0.000 0.894 111 L HN 0.422 nan 8.230 nan 0.000 0.432 112 E N 0.890 121.052 120.200 -0.064 0.000 2.097 112 E HA -0.259 4.090 4.350 -0.000 0.000 0.196 112 E C 2.308 178.867 176.600 -0.069 0.000 1.000 112 E CA 1.405 57.778 56.400 -0.044 0.000 0.804 112 E CB -0.130 29.569 29.700 -0.003 0.000 0.740 112 E HN 0.476 nan 8.360 nan 0.000 0.454 113 L N 0.420 121.540 121.223 -0.171 0.000 2.046 113 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 113 L C 2.533 179.375 176.870 -0.048 0.000 1.077 113 L CA 0.855 55.611 54.840 -0.141 0.000 0.747 113 L CB -0.254 41.648 42.059 -0.261 0.000 0.896 113 L HN 0.267 nan 8.230 nan 0.000 0.432 114 L N -0.572 120.628 121.223 -0.038 0.000 2.622 114 L HA -0.088 4.252 4.340 -0.000 0.000 0.233 114 L C 0.438 177.305 176.870 -0.006 0.000 1.156 114 L CA 0.151 54.995 54.840 0.006 0.000 0.866 114 L CB -0.378 41.714 42.059 0.055 0.000 0.980 114 L HN 0.318 nan 8.230 nan 0.000 0.448 115 D N 0.966 121.359 120.400 -0.011 0.000 2.746 115 D HA -0.167 4.473 4.640 -0.000 0.000 0.236 115 D C -0.044 176.236 176.300 -0.033 0.000 1.129 115 D CA 0.605 54.596 54.000 -0.016 0.000 0.691 115 D CB -0.384 40.407 40.800 -0.015 0.000 1.077 115 D HN 0.290 nan 8.370 nan 0.000 0.432 116 E N 1.018 121.209 120.200 -0.015 0.000 2.174 116 E HA 0.374 4.724 4.350 -0.000 0.000 0.282 116 E C -1.798 174.810 176.600 0.014 0.000 0.992 116 E CA -1.490 54.898 56.400 -0.020 0.000 0.803 116 E CB 1.153 30.903 29.700 0.083 0.000 1.090 116 E HN 0.282 nan 8.360 nan 0.000 0.396 117 P HA 0.179 nan 4.420 nan 0.000 0.272 117 P C -0.284 177.028 177.300 0.021 0.000 1.223 117 P CA -0.265 62.836 63.100 0.002 0.000 0.784 117 P CB 0.909 32.602 31.700 -0.011 0.000 0.923 118 I N 3.012 123.581 120.570 -0.001 0.000 2.330 118 I HA 0.259 4.429 4.170 -0.000 0.000 0.286 118 I C -2.121 173.984 176.117 -0.019 0.000 1.025 118 I CA -2.746 58.547 61.300 -0.010 0.000 1.197 118 I CB 0.239 38.221 38.000 -0.031 0.000 1.358 118 I HN 0.141 nan 8.210 nan 0.000 0.467 119 P HA 0.062 nan 4.420 nan 0.000 0.265 119 P C 0.686 177.967 177.300 -0.031 0.000 1.193 119 P CA -0.190 62.900 63.100 -0.017 0.000 0.765 119 P CB 0.648 32.340 31.700 -0.012 0.000 0.823 120 Q N 1.785 121.566 119.800 -0.031 0.000 2.364 120 Q HA -0.075 4.265 4.340 -0.000 0.000 0.207 120 Q C 1.749 177.726 176.000 -0.037 0.000 0.970 120 Q CA 1.129 56.909 55.803 -0.038 0.000 0.888 120 Q CB -0.323 28.394 28.738 -0.035 0.000 0.951 120 Q HN 0.602 nan 8.270 nan 0.000 0.469 121 I N -0.441 120.109 120.570 -0.034 0.000 2.193 121 I HA -0.228 3.942 4.170 -0.000 0.000 0.240 121 I C 2.068 178.158 176.117 -0.045 0.000 1.084 121 I CA 0.637 61.916 61.300 -0.035 0.000 1.365 121 I CB -0.117 37.863 38.000 -0.033 0.000 1.064 121 I HN -0.020 nan 8.210 nan 0.000 0.410 122 V N 1.233 121.117 119.914 -0.051 0.000 2.219 122 V HA -0.373 3.747 4.120 -0.000 0.000 0.248 122 V C 2.707 178.762 176.094 -0.064 0.000 1.053 122 V CA 2.148 64.408 62.300 -0.066 0.000 1.009 122 V CB -1.401 30.381 31.823 -0.067 0.000 0.636 122 V HN 0.533 nan 8.190 nan 0.000 0.445 123 A N -0.364 122.420 122.820 -0.061 0.000 1.882 123 A HA -0.411 3.909 4.320 -0.000 0.000 0.220 123 A C 2.469 180.020 177.584 -0.055 0.000 1.253 123 A CA 3.507 55.504 52.037 -0.066 0.000 0.664 123 A CB -1.559 17.398 19.000 -0.072 0.000 0.838 123 A HN 0.517 nan 8.150 nan 0.000 0.460 124 T N -1.022 113.504 114.554 -0.047 0.000 2.737 124 T HA -0.197 4.152 4.350 -0.000 0.000 0.269 124 T C 1.580 176.270 174.700 -0.017 0.000 1.040 124 T CA 2.085 64.165 62.100 -0.033 0.000 1.142 124 T CB -0.689 68.163 68.868 -0.028 0.000 0.861 124 T HN 0.509 nan 8.240 nan 0.000 0.456 125 D N 0.363 120.748 120.400 -0.025 0.000 2.097 125 D HA -0.054 4.586 4.640 -0.000 0.000 0.195 125 D C 2.309 178.622 176.300 0.021 0.000 0.989 125 D CA 0.965 54.957 54.000 -0.013 0.000 0.827 125 D CB -0.581 40.190 40.800 -0.049 0.000 0.966 125 D HN 0.322 nan 8.370 nan 0.000 0.456 126 V N 1.191 121.101 119.914 -0.007 0.000 2.287 126 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 126 V C 2.773 178.916 176.094 0.081 0.000 1.053 126 V CA 1.462 63.781 62.300 0.031 0.000 1.027 126 V CB -0.678 31.126 31.823 -0.032 0.000 0.646 126 V HN 0.283 nan 8.190 nan 0.000 0.447 127 C N -0.538 118.773 119.300 0.019 0.000 2.418 127 C HA -0.250 4.210 4.460 -0.000 0.000 0.280 127 C C 2.856 177.872 174.990 0.043 0.000 1.223 127 C CA 1.390 60.415 59.018 0.011 0.000 1.736 127 C CB -1.262 26.471 27.740 -0.012 0.000 2.056 127 C HN 0.601 nan 8.230 nan 0.000 0.459 128 Q N -0.484 119.347 119.800 0.052 0.000 2.112 128 Q HA -0.254 4.086 4.340 -0.000 0.000 0.206 128 Q C 2.008 178.062 176.000 0.091 0.000 0.987 128 Q CA 2.087 57.925 55.803 0.058 0.000 0.858 128 Q CB -0.439 28.330 28.738 0.052 0.000 0.905 128 Q HN 0.777 nan 8.270 nan 0.000 0.420 129 F N 1.156 121.086 119.950 -0.035 0.000 2.069 129 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 129 F C 1.764 177.550 175.800 -0.022 0.000 1.113 129 F CA 1.405 59.382 58.000 -0.037 0.000 1.214 129 F CB -0.348 38.615 39.000 -0.062 0.000 0.978 129 F HN -0.031 nan 8.300 nan 0.000 0.474 130 L N 0.016 121.144 121.223 -0.157 0.000 2.127 130 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 130 L C 2.470 179.305 176.870 -0.059 0.000 1.089 130 L CA 1.713 56.392 54.840 -0.268 0.000 0.757 130 L CB -0.825 41.121 42.059 -0.189 0.000 0.899 130 L HN 0.289 nan 8.230 nan 0.000 0.434 131 E N 0.343 120.535 120.200 -0.012 0.000 2.077 131 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 131 E C 2.327 178.897 176.600 -0.050 0.000 0.989 131 E CA 0.962 57.375 56.400 0.021 0.000 0.800 131 E CB -0.017 29.691 29.700 0.013 0.000 0.746 131 E HN 0.461 nan 8.360 nan 0.000 0.452 132 L N -0.082 121.072 121.223 -0.116 0.000 2.265 132 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 132 L C 2.122 178.877 176.870 -0.191 0.000 1.117 132 L CA 0.423 55.179 54.840 -0.141 0.000 0.782 132 L CB -0.118 41.864 42.059 -0.128 0.000 0.914 132 L HN 0.350 nan 8.230 nan 0.000 0.441 133 C N -1.057 118.098 119.300 -0.241 0.000 2.673 133 C HA 0.017 4.477 4.460 -0.000 0.000 0.264 133 C C 1.462 176.435 174.990 -0.028 0.000 1.304 133 C CA -0.476 58.443 59.018 -0.166 0.000 1.727 133 C CB -0.712 26.878 27.740 -0.250 0.000 1.932 133 C HN 0.399 nan 8.230 nan 0.000 0.563 134 Q N 1.678 121.434 119.800 -0.072 0.000 2.296 134 Q HA 0.201 4.541 4.340 -0.000 0.000 0.262 134 Q C 0.374 176.192 176.000 -0.302 0.000 0.981 134 Q CA 0.124 55.686 55.803 -0.401 0.000 0.905 134 Q CB 0.673 29.156 28.738 -0.426 0.000 1.186 134 Q HN 0.478 nan 8.270 nan 0.000 0.399 135 S N 3.919 119.407 115.700 -0.354 0.000 2.585 135 S HA 0.236 4.706 4.470 -0.000 0.000 0.273 135 S C -1.822 172.667 174.600 -0.185 0.000 1.339 135 S CA -1.261 56.809 58.200 -0.217 0.000 1.028 135 S CB 0.692 63.767 63.200 -0.209 0.000 0.906 135 S HN 0.620 nan 8.310 nan 0.000 0.528 136 P HA 0.072 nan 4.420 nan 0.000 0.226 136 P C -0.005 177.259 177.300 -0.060 0.000 1.153 136 P CA 0.727 63.785 63.100 -0.071 0.000 0.777 136 P CB 0.091 31.772 31.700 -0.032 0.000 0.794 137 D N -0.998 119.369 120.400 -0.056 0.000 2.349 137 D HA 0.269 4.908 4.640 -0.000 0.000 0.214 137 D C 0.981 177.256 176.300 -0.042 0.000 1.063 137 D CA 0.514 54.505 54.000 -0.014 0.000 0.847 137 D CB 0.141 40.971 40.800 0.050 0.000 0.933 137 D HN 0.055 nan 8.370 nan 0.000 0.513 138 G N -0.261 108.430 108.800 -0.183 0.000 2.712 138 G HA2 0.414 4.374 3.960 -0.000 0.000 0.686 138 G HA3 0.414 4.374 3.960 -0.000 0.000 0.686 138 G C 0.219 174.738 174.900 -0.635 0.000 1.181 138 G CA -0.416 44.519 45.100 -0.276 0.000 0.762 138 G HN 0.715 nan 8.290 nan 0.000 0.641 139 G N -0.625 107.740 108.800 -0.726 0.000 2.712 139 G HA2 0.391 4.351 3.960 -0.000 0.000 0.683 139 G HA3 0.391 4.351 3.960 -0.000 0.000 0.683 139 G C -0.542 173.836 174.900 -0.870 0.000 1.320 139 G CA 0.027 44.599 45.100 -0.880 0.000 0.847 139 G HN 1.753 nan 8.290 nan 0.000 0.553 140 F N 0.393 120.154 119.950 -0.316 0.000 2.532 140 F HA 0.697 5.224 4.527 -0.000 0.000 0.321 140 F C 1.094 176.806 175.800 -0.146 0.000 1.089 140 F CA 0.187 58.055 58.000 -0.221 0.000 0.926 140 F CB 2.248 41.124 39.000 -0.206 0.000 1.168 140 F HN 0.810 nan 8.300 nan 0.000 0.459 141 G N 0.052 108.883 108.800 0.052 0.000 2.511 141 G HA2 0.436 4.395 3.960 -0.000 0.000 0.316 141 G HA3 0.436 4.395 3.960 -0.000 0.000 0.316 141 G C 0.756 175.659 174.900 0.004 0.000 1.210 141 G CA -0.486 44.632 45.100 0.029 0.000 0.969 141 G HN 0.917 nan 8.290 nan 0.000 0.492 142 G N -1.629 107.166 108.800 -0.008 0.000 2.848 142 G HA2 0.473 4.433 3.960 -0.000 0.000 0.208 142 G HA3 0.473 4.433 3.960 -0.000 0.000 0.208 142 G C 0.615 175.517 174.900 0.003 0.000 1.152 142 G CA 0.743 45.839 45.100 -0.006 0.000 0.789 142 G HN 1.226 nan 8.290 nan 0.000 0.531 143 G N -1.103 107.676 108.800 -0.035 0.000 2.387 143 G HA2 0.466 4.426 3.960 -0.000 0.000 0.294 143 G HA3 0.466 4.426 3.960 -0.000 0.000 0.294 143 G C -3.446 171.400 174.900 -0.090 0.000 1.509 143 G CA -0.990 44.092 45.100 -0.030 0.000 0.806 143 G HN -0.102 nan 8.290 nan 0.000 0.546 144 P HA 0.290 nan 4.420 nan 0.000 0.261 144 P C 1.109 178.354 177.300 -0.092 0.000 1.183 144 P CA 2.072 65.108 63.100 -0.108 0.000 0.761 144 P CB 0.900 32.565 31.700 -0.058 0.000 0.785 145 G N 1.707 110.439 108.800 -0.114 0.000 2.179 145 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 145 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 145 G C 0.143 174.914 174.900 -0.216 0.000 0.977 145 G CA -0.236 44.779 45.100 -0.141 0.000 0.641 145 G HN 0.562 nan 8.290 nan 0.000 0.533 146 Q N -0.792 118.903 119.800 -0.176 0.000 2.260 146 Q HA 0.564 4.904 4.340 -0.000 0.000 0.238 146 Q C -0.015 175.878 176.000 -0.178 0.000 0.948 146 Q CA -0.719 54.963 55.803 -0.202 0.000 0.895 146 Q CB 0.856 29.540 28.738 -0.091 0.000 1.218 146 Q HN 0.453 nan 8.270 nan 0.000 0.470 147 Y N 1.617 121.912 120.300 -0.009 0.000 2.379 147 Y HA 0.089 4.639 4.550 -0.000 0.000 0.337 147 Y C -1.631 174.272 175.900 0.006 0.000 1.238 147 Y CA -1.747 56.357 58.100 0.006 0.000 1.405 147 Y CB 0.194 38.683 38.460 0.047 0.000 1.310 147 Y HN 0.428 nan 8.280 nan 0.000 0.569 148 P HA -0.021 nan 4.420 nan 0.000 0.271 148 P C -1.065 176.382 177.300 0.244 0.000 1.216 148 P CA 0.540 63.625 63.100 -0.025 0.000 0.776 148 P CB 0.994 32.402 31.700 -0.487 0.000 0.881 149 H N 2.756 121.914 119.070 0.146 0.000 2.954 149 H HA 0.198 4.754 4.556 -0.000 0.000 0.361 149 H C 0.782 176.282 175.328 0.287 0.000 1.122 149 H CA -0.610 55.608 56.048 0.283 0.000 1.217 149 H CB 1.621 31.470 29.762 0.146 0.000 1.776 149 H HN 0.221 nan 8.280 nan 0.000 0.533 150 L N 3.017 124.438 121.223 0.330 0.000 2.043 150 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 150 L C 2.531 179.634 176.870 0.388 0.000 1.075 150 L CA 1.837 56.870 54.840 0.321 0.000 0.752 150 L CB -0.508 41.635 42.059 0.138 0.000 0.891 150 L HN 0.732 nan 8.230 nan 0.000 0.432 151 A N 0.261 123.477 122.820 0.660 0.000 1.858 151 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 151 A C -0.093 177.562 177.584 0.118 0.000 1.190 151 A CA 1.764 54.136 52.037 0.559 0.000 0.617 151 A CB -1.852 17.628 19.000 0.801 0.000 0.827 151 A HN 0.284 nan 8.150 nan 0.000 0.443 152 P HA -0.076 nan 4.420 nan 0.000 0.218 152 P C 1.345 178.504 177.300 -0.234 0.000 1.149 152 P CA 1.700 64.663 63.100 -0.229 0.000 0.817 152 P CB -0.196 31.485 31.700 -0.032 0.000 0.785 153 T N -1.579 112.993 114.554 0.031 0.000 2.777 153 T HA -0.198 4.152 4.350 -0.000 0.000 0.266 153 T C 1.613 176.267 174.700 -0.077 0.000 1.040 153 T CA 1.173 63.350 62.100 0.129 0.000 1.141 153 T CB -1.071 67.946 68.868 0.248 0.000 0.868 153 T HN 0.123 nan 8.240 nan 0.000 0.444 154 Y N 2.398 122.559 120.300 -0.232 0.000 2.114 154 Y HA -0.046 4.504 4.550 -0.000 0.000 0.284 154 Y C 2.539 178.098 175.900 -0.568 0.000 1.143 154 Y CA 1.033 58.932 58.100 -0.334 0.000 1.135 154 Y CB -0.870 37.419 38.460 -0.285 0.000 0.980 154 Y HN 0.160 nan 8.280 nan 0.000 0.499 155 A N 1.067 123.328 122.820 -0.932 0.000 1.883 155 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 155 A C 2.488 179.580 177.584 -0.820 0.000 1.186 155 A CA 2.410 53.713 52.037 -1.223 0.000 0.624 155 A CB -1.696 16.353 19.000 -1.585 0.000 0.822 155 A HN 0.706 nan 8.150 nan 0.000 0.444 156 A N -0.570 121.794 122.820 -0.761 0.000 1.892 156 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 156 A C 2.275 179.464 177.584 -0.658 0.000 1.188 156 A CA 2.132 53.657 52.037 -0.854 0.000 0.631 156 A CB -1.134 16.870 19.000 -1.661 0.000 0.822 156 A HN 0.459 nan 8.150 nan 0.000 0.447 157 V N 0.639 120.224 119.914 -0.548 0.000 2.237 157 V HA -0.289 3.831 4.120 -0.000 0.000 0.245 157 V C 2.354 178.261 176.094 -0.310 0.000 1.046 157 V CA 2.291 64.392 62.300 -0.332 0.000 1.007 157 V CB -1.213 30.469 31.823 -0.234 0.000 0.638 157 V HN 0.554 nan 8.190 nan 0.000 0.445 158 N N 0.352 118.768 118.700 -0.474 0.000 2.091 158 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 158 N C 1.789 177.221 175.510 -0.130 0.000 1.021 158 N CA 1.855 54.688 53.050 -0.361 0.000 0.862 158 N CB -0.663 37.388 38.487 -0.726 0.000 1.018 158 N HN 0.524 nan 8.380 nan 0.000 0.429 159 A N 0.929 123.653 122.820 -0.161 0.000 1.841 159 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 159 A C 2.341 179.861 177.584 -0.107 0.000 1.199 159 A CA 1.250 53.245 52.037 -0.069 0.000 0.621 159 A CB -1.030 17.890 19.000 -0.134 0.000 0.835 159 A HN 0.275 nan 8.150 nan 0.000 0.445 160 L N -0.740 120.388 121.223 -0.158 0.000 2.129 160 L HA -0.308 4.032 4.340 -0.000 0.000 0.212 160 L C 2.717 179.512 176.870 -0.125 0.000 1.087 160 L CA 1.378 56.137 54.840 -0.134 0.000 0.757 160 L CB -0.720 41.279 42.059 -0.100 0.000 0.896 160 L HN 0.542 nan 8.230 nan 0.000 0.434 161 C N -0.324 118.942 119.300 -0.057 0.000 2.457 161 C HA -0.089 4.371 4.460 -0.000 0.000 0.278 161 C C 2.701 177.668 174.990 -0.038 0.000 1.309 161 C CA 0.226 59.250 59.018 0.009 0.000 1.735 161 C CB -0.522 27.249 27.740 0.052 0.000 1.992 161 C HN 0.434 nan 8.230 nan 0.000 0.493 162 I N 0.695 121.247 120.570 -0.030 0.000 2.335 162 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 162 I C 2.213 178.292 176.117 -0.063 0.000 1.129 162 I CA 1.637 62.930 61.300 -0.012 0.000 1.402 162 I CB -0.348 37.661 38.000 0.014 0.000 1.069 162 I HN 0.356 nan 8.210 nan 0.000 0.424 163 I N 0.338 120.837 120.570 -0.118 0.000 2.133 163 I HA -0.178 3.992 4.170 -0.000 0.000 0.238 163 I C 2.012 177.988 176.117 -0.236 0.000 1.074 163 I CA 1.478 62.682 61.300 -0.160 0.000 1.342 163 I CB -0.787 37.105 38.000 -0.181 0.000 1.053 163 I HN 0.437 nan 8.210 nan 0.000 0.404 164 G N 1.138 109.684 108.800 -0.423 0.000 2.168 164 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.263 164 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.263 164 G C 0.521 174.966 174.900 -0.758 0.000 0.977 164 G CA 0.550 45.246 45.100 -0.672 0.000 0.659 164 G HN 0.543 nan 8.290 nan 0.000 0.533 165 T N -2.325 111.888 114.554 -0.567 0.000 2.828 165 T HA 0.572 4.922 4.350 -0.000 0.000 0.290 165 T C 1.179 175.629 174.700 -0.417 0.000 1.019 165 T CA 0.623 62.507 62.100 -0.359 0.000 1.031 165 T CB 1.830 70.572 68.868 -0.210 0.000 1.001 165 T HN 0.185 nan 8.240 nan 0.000 0.531 166 E N 0.335 120.433 120.200 -0.171 0.000 2.118 166 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 166 E C 1.992 178.562 176.600 -0.049 0.000 0.992 166 E CA 1.907 58.272 56.400 -0.059 0.000 0.804 166 E CB -0.293 29.396 29.700 -0.019 0.000 0.741 166 E HN 0.882 nan 8.360 nan 0.000 0.458 167 E N -0.307 119.847 120.200 -0.076 0.000 2.038 167 E HA -0.274 4.075 4.350 -0.000 0.000 0.195 167 E C 1.986 178.557 176.600 -0.048 0.000 1.000 167 E CA 1.291 57.664 56.400 -0.044 0.000 0.803 167 E CB -0.324 29.344 29.700 -0.053 0.000 0.750 167 E HN 0.322 nan 8.360 nan 0.000 0.448 168 A N 0.603 123.335 122.820 -0.147 0.000 1.869 168 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 168 A C 2.082 179.650 177.584 -0.027 0.000 1.203 168 A CA 1.953 53.894 52.037 -0.161 0.000 0.638 168 A CB -1.441 17.354 19.000 -0.340 0.000 0.831 168 A HN 0.558 nan 8.150 nan 0.000 0.450 169 Y N 0.136 120.424 120.300 -0.020 0.000 2.151 169 Y HA -0.247 4.303 4.550 -0.000 0.000 0.284 169 Y C 2.372 178.380 175.900 0.179 0.000 1.166 169 Y CA 1.026 59.176 58.100 0.083 0.000 1.163 169 Y CB -0.318 37.961 38.460 -0.302 0.000 0.974 169 Y HN 0.322 nan 8.280 nan 0.000 0.511 170 N N -0.117 118.730 118.700 0.244 0.000 2.520 170 N HA -0.109 4.631 4.740 -0.000 0.000 0.185 170 N C 1.702 177.305 175.510 0.157 0.000 1.068 170 N CA 0.617 53.782 53.050 0.192 0.000 0.911 170 N CB -0.332 38.227 38.487 0.120 0.000 0.961 170 N HN 0.193 nan 8.380 nan 0.000 0.446 171 V N 1.509 121.514 119.914 0.151 0.000 2.295 171 V HA -0.120 4.000 4.120 -0.000 0.000 0.246 171 V C 1.170 177.355 176.094 0.151 0.000 1.049 171 V CA 0.789 63.166 62.300 0.129 0.000 1.024 171 V CB -0.273 31.625 31.823 0.125 0.000 0.648 171 V HN 0.202 nan 8.190 nan 0.000 0.447 172 I N 2.359 123.056 120.570 0.212 0.000 2.662 172 I HA -0.024 4.146 4.170 -0.000 0.000 0.285 172 I C 0.574 176.748 176.117 0.096 0.000 1.161 172 I CA 0.353 61.760 61.300 0.179 0.000 1.415 172 I CB -0.250 37.867 38.000 0.196 0.000 1.385 172 I HN 0.206 nan 8.210 nan 0.000 0.552 173 N N 7.214 125.913 118.700 -0.002 0.000 2.602 173 N HA 0.132 4.872 4.740 -0.000 0.000 0.238 173 N C 0.947 176.446 175.510 -0.018 0.000 1.084 173 N CA -0.120 52.922 53.050 -0.012 0.000 0.952 173 N CB 0.499 38.947 38.487 -0.064 0.000 1.244 173 N HN 0.468 nan 8.380 nan 0.000 0.512 174 R N 1.778 122.290 120.500 0.020 0.000 2.105 174 R HA -0.153 4.187 4.340 -0.000 0.000 0.239 174 R C 0.916 177.221 176.300 0.009 0.000 1.135 174 R CA 1.520 57.622 56.100 0.002 0.000 0.967 174 R CB 0.185 30.499 30.300 0.023 0.000 0.861 174 R HN 0.478 nan 8.270 nan 0.000 0.442 175 E N 0.715 120.931 120.200 0.026 0.000 2.017 175 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 175 E C 1.880 178.501 176.600 0.035 0.000 0.997 175 E CA 1.154 57.578 56.400 0.040 0.000 0.804 175 E CB -0.041 29.684 29.700 0.043 0.000 0.757 175 E HN 0.025 nan 8.360 nan 0.000 0.448 176 K N 0.364 120.771 120.400 0.012 0.000 2.063 176 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 176 K C 2.184 178.801 176.600 0.028 0.000 1.048 176 K CA 0.705 56.997 56.287 0.008 0.000 0.928 176 K CB -0.737 31.737 32.500 -0.044 0.000 0.713 176 K HN 0.124 nan 8.250 nan 0.000 0.442 177 L N 1.381 122.596 121.223 -0.014 0.000 1.990 177 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 177 L C 2.213 179.126 176.870 0.071 0.000 1.072 177 L CA 1.519 56.363 54.840 0.007 0.000 0.755 177 L CB -0.855 41.183 42.059 -0.035 0.000 0.889 177 L HN 0.117 nan 8.230 nan 0.000 0.432 178 L N -0.323 120.916 121.223 0.026 0.000 1.989 178 L HA -0.255 4.085 4.340 -0.000 0.000 0.211 178 L C 2.527 179.431 176.870 0.057 0.000 1.071 178 L CA 1.969 56.801 54.840 -0.014 0.000 0.749 178 L CB -1.142 40.918 42.059 0.001 0.000 0.890 178 L HN 0.492 nan 8.230 nan 0.000 0.431 179 Q N -1.686 118.197 119.800 0.138 0.000 2.082 179 Q HA -0.327 4.013 4.340 -0.000 0.000 0.211 179 Q C 2.185 178.288 176.000 0.172 0.000 1.002 179 Q CA 2.499 58.413 55.803 0.186 0.000 0.868 179 Q CB -0.671 28.142 28.738 0.125 0.000 0.931 179 Q HN 0.631 nan 8.270 nan 0.000 0.414 180 Y N 1.338 121.655 120.300 0.029 0.000 2.040 180 Y HA -0.298 4.252 4.550 -0.000 0.000 0.275 180 Y C 1.938 177.861 175.900 0.037 0.000 1.171 180 Y CA 1.839 59.948 58.100 0.016 0.000 1.123 180 Y CB -0.569 37.877 38.460 -0.024 0.000 0.963 180 Y HN 0.049 nan 8.280 nan 0.000 0.493 181 L N -1.357 119.821 121.223 -0.075 0.000 2.043 181 L HA -0.328 4.012 4.340 -0.000 0.000 0.212 181 L C 2.360 179.226 176.870 -0.007 0.000 1.075 181 L CA 1.947 56.694 54.840 -0.154 0.000 0.752 181 L CB -0.993 40.946 42.059 -0.199 0.000 0.891 181 L HN 0.319 nan 8.230 nan 0.000 0.432 182 Y N 0.187 120.468 120.300 -0.030 0.000 2.200 182 Y HA -0.269 4.281 4.550 -0.000 0.000 0.290 182 Y C 3.076 178.914 175.900 -0.105 0.000 1.137 182 Y CA 1.193 59.260 58.100 -0.055 0.000 1.163 182 Y CB -0.146 38.277 38.460 -0.062 0.000 0.988 182 Y HN 0.302 nan 8.280 nan 0.000 0.518 183 S N -0.047 115.681 115.700 0.048 0.000 2.493 183 S HA -0.152 4.318 4.470 -0.000 0.000 0.243 183 S C 1.432 175.961 174.600 -0.117 0.000 0.991 183 S CA 1.140 59.310 58.200 -0.050 0.000 0.957 183 S CB -0.669 62.498 63.200 -0.056 0.000 0.756 183 S HN 0.497 nan 8.310 nan 0.000 0.521 184 L N -0.495 120.653 121.223 -0.124 0.000 2.556 184 L HA 0.349 4.689 4.340 -0.000 0.000 0.226 184 L C 0.907 177.691 176.870 -0.143 0.000 1.089 184 L CA -0.284 54.492 54.840 -0.106 0.000 0.864 184 L CB -0.155 41.851 42.059 -0.088 0.000 1.067 184 L HN 0.115 nan 8.230 nan 0.000 0.477 185 K N 1.786 122.020 120.400 -0.277 0.000 2.484 185 K HA 0.019 4.339 4.320 -0.000 0.000 0.280 185 K C -0.201 176.074 176.600 -0.541 0.000 1.013 185 K CA 0.552 56.334 56.287 -0.841 0.000 1.029 185 K CB 0.426 32.585 32.500 -0.568 0.000 0.902 185 K HN -0.083 nan 8.250 nan 0.000 0.481 186 Q N 4.561 123.987 119.800 -0.623 0.000 2.257 186 Q HA 0.278 4.618 4.340 -0.000 0.000 0.262 186 Q C -1.838 173.981 176.000 -0.302 0.000 0.997 186 Q CA -2.281 53.290 55.803 -0.386 0.000 0.873 186 Q CB 1.021 29.533 28.738 -0.377 0.000 1.312 186 Q HN 0.442 nan 8.270 nan 0.000 0.450 187 P HA -0.156 nan 4.420 nan 0.000 0.216 187 P C 0.344 177.582 177.300 -0.102 0.000 1.150 187 P CA 1.337 64.358 63.100 -0.131 0.000 0.837 187 P CB 0.238 31.881 31.700 -0.094 0.000 0.786 188 D N -1.721 118.616 120.400 -0.106 0.000 2.323 188 D HA 0.078 4.717 4.640 -0.000 0.000 0.239 188 D C 1.405 177.689 176.300 -0.027 0.000 1.129 188 D CA 0.497 54.487 54.000 -0.017 0.000 0.865 188 D CB -0.972 39.866 40.800 0.063 0.000 0.913 188 D HN 0.252 nan 8.370 nan 0.000 0.517 189 G N 0.095 108.809 108.800 -0.143 0.000 2.284 189 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.247 189 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.247 189 G C 0.602 175.311 174.900 -0.319 0.000 1.012 189 G CA 0.520 45.547 45.100 -0.121 0.000 0.618 189 G HN 0.821 nan 8.290 nan 0.000 0.521 190 S N -0.326 114.967 115.700 -0.678 0.000 2.640 190 S HA 0.791 5.261 4.470 -0.000 0.000 0.262 190 S C -0.222 173.993 174.600 -0.641 0.000 1.232 190 S CA -0.170 57.471 58.200 -0.932 0.000 0.988 190 S CB 1.257 63.444 63.200 -1.689 0.000 1.034 190 S HN 0.655 nan 8.310 nan 0.000 0.569 191 F N -0.769 118.908 119.950 -0.455 0.000 2.588 191 F HA 0.512 5.039 4.527 -0.000 0.000 0.310 191 F C -0.084 175.558 175.800 -0.264 0.000 1.082 191 F CA -1.042 56.789 58.000 -0.282 0.000 0.929 191 F CB 1.543 40.435 39.000 -0.181 0.000 1.254 191 F HN 0.454 nan 8.300 nan 0.000 0.455 192 L N 3.104 124.309 121.223 -0.031 0.000 2.466 192 L HA 0.184 4.524 4.340 -0.000 0.000 0.257 192 L C 1.134 177.947 176.870 -0.096 0.000 1.189 192 L CA -0.631 54.138 54.840 -0.118 0.000 0.813 192 L CB 0.497 42.447 42.059 -0.182 0.000 1.118 192 L HN 0.667 nan 8.230 nan 0.000 0.471 193 M N 0.169 119.679 119.600 -0.151 0.000 2.506 193 M HA 0.055 4.535 4.480 -0.000 0.000 0.260 193 M C 0.055 176.219 176.300 -0.227 0.000 1.104 193 M CA 0.951 56.148 55.300 -0.172 0.000 1.112 193 M CB -0.972 31.559 32.600 -0.116 0.000 1.401 193 M HN 0.795 nan 8.290 nan 0.000 0.473 194 H N -5.053 113.897 119.070 -0.200 0.000 2.919 194 H HA 0.357 4.913 4.556 -0.000 0.000 0.270 194 H C -1.011 174.285 175.328 -0.054 0.000 1.412 194 H CA -1.168 54.833 56.048 -0.078 0.000 1.261 194 H CB 0.198 29.950 29.762 -0.016 0.000 1.850 194 H HN -0.260 nan 8.280 nan 0.000 0.478 195 V N 1.827 121.767 119.914 0.043 0.000 2.584 195 V HA 0.239 4.359 4.120 -0.000 0.000 0.303 195 V C 1.736 177.751 176.094 -0.133 0.000 1.035 195 V CA 1.914 64.175 62.300 -0.064 0.000 1.172 195 V CB 0.134 31.939 31.823 -0.030 0.000 0.896 195 V HN 1.504 nan 8.190 nan 0.000 0.486 196 G N 3.524 112.209 108.800 -0.193 0.000 2.166 196 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.260 196 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.260 196 G C 0.565 175.291 174.900 -0.290 0.000 0.986 196 G CA 0.332 45.335 45.100 -0.162 0.000 0.683 196 G HN 1.338 nan 8.290 nan 0.000 0.527 197 G N -0.502 107.887 108.800 -0.686 0.000 2.509 197 G HA2 0.633 4.592 3.960 -0.000 0.000 0.269 197 G HA3 0.633 4.592 3.960 -0.000 0.000 0.269 197 G C 0.300 175.023 174.900 -0.296 0.000 1.416 197 G CA 0.327 44.946 45.100 -0.802 0.000 1.052 197 G HN 0.698 nan 8.290 nan 0.000 0.542 198 E N -1.460 118.652 120.200 -0.148 0.000 2.267 198 E HA 0.556 4.906 4.350 -0.000 0.000 0.258 198 E C -1.138 175.424 176.600 -0.063 0.000 1.074 198 E CA -0.668 55.697 56.400 -0.058 0.000 0.915 198 E CB 1.512 31.226 29.700 0.024 0.000 1.186 198 E HN 0.161 nan 8.360 nan 0.000 0.439 199 V N 1.101 120.991 119.914 -0.040 0.000 2.656 199 V HA 0.473 4.593 4.120 -0.000 0.000 0.307 199 V C -0.992 175.108 176.094 0.011 0.000 1.051 199 V CA -0.389 61.875 62.300 -0.059 0.000 0.893 199 V CB 1.477 33.222 31.823 -0.130 0.000 0.999 199 V HN 0.971 nan 8.190 nan 0.000 0.426 200 D N 1.831 122.251 120.400 0.034 0.000 2.769 200 D HA 0.113 4.752 4.640 -0.000 0.000 0.309 200 D C 0.245 176.680 176.300 0.225 0.000 1.315 200 D CA -0.398 53.690 54.000 0.147 0.000 0.780 200 D CB 1.486 42.282 40.800 -0.007 0.000 1.312 200 D HN 0.189 nan 8.370 nan 0.000 0.437 201 V N 0.448 120.545 119.914 0.304 0.000 2.568 201 V HA -0.232 3.888 4.120 -0.000 0.000 0.253 201 V C 2.108 178.384 176.094 0.303 0.000 1.072 201 V CA 2.106 64.635 62.300 0.381 0.000 1.084 201 V CB -0.626 31.348 31.823 0.252 0.000 0.676 201 V HN 0.574 nan 8.190 nan 0.000 0.469 202 R N 0.734 121.421 120.500 0.312 0.000 2.096 202 R HA -0.181 4.159 4.340 -0.000 0.000 0.240 202 R C 2.602 179.027 176.300 0.208 0.000 1.139 202 R CA 1.944 58.215 56.100 0.284 0.000 0.952 202 R CB -0.745 29.722 30.300 0.278 0.000 0.854 202 R HN 0.789 nan 8.270 nan 0.000 0.436 203 S N 0.958 116.744 115.700 0.145 0.000 2.365 203 S HA -0.227 4.243 4.470 -0.000 0.000 0.225 203 S C 2.268 176.855 174.600 -0.021 0.000 1.039 203 S CA 1.213 59.443 58.200 0.051 0.000 1.033 203 S CB -0.519 62.709 63.200 0.046 0.000 0.887 203 S HN 0.429 nan 8.310 nan 0.000 0.447 204 A N 1.297 124.167 122.820 0.084 0.000 1.865 204 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 204 A C 2.128 179.736 177.584 0.041 0.000 1.191 204 A CA 1.858 53.952 52.037 0.094 0.000 0.623 204 A CB -1.486 17.654 19.000 0.232 0.000 0.826 204 A HN 0.665 nan 8.150 nan 0.000 0.444 205 Y N 0.502 120.791 120.300 -0.019 0.000 2.128 205 Y HA -0.292 4.258 4.550 -0.000 0.000 0.284 205 Y C 2.622 178.487 175.900 -0.058 0.000 1.154 205 Y CA 1.346 59.419 58.100 -0.046 0.000 1.149 205 Y CB -1.034 37.430 38.460 0.007 0.000 0.976 205 Y HN 0.410 nan 8.280 nan 0.000 0.505 206 C N 0.406 119.599 119.300 -0.178 0.000 2.432 206 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 206 C C 3.093 178.004 174.990 -0.131 0.000 1.249 206 C CA 1.249 60.137 59.018 -0.216 0.000 1.725 206 C CB -1.833 25.890 27.740 -0.028 0.000 2.028 206 C HN 0.728 nan 8.230 nan 0.000 0.477 207 A N 0.674 123.390 122.820 -0.173 0.000 1.883 207 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 207 A C 2.359 179.951 177.584 0.014 0.000 1.186 207 A CA 2.394 54.318 52.037 -0.188 0.000 0.624 207 A CB -0.983 17.659 19.000 -0.597 0.000 0.822 207 A HN 0.599 nan 8.150 nan 0.000 0.444 208 A N -1.065 121.692 122.820 -0.105 0.000 1.841 208 A HA -0.092 4.228 4.320 -0.000 0.000 0.214 208 A C 2.474 180.019 177.584 -0.065 0.000 1.195 208 A CA 2.161 54.074 52.037 -0.207 0.000 0.611 208 A CB -1.244 17.517 19.000 -0.398 0.000 0.835 208 A HN 0.553 nan 8.150 nan 0.000 0.443 209 S N -0.583 115.036 115.700 -0.135 0.000 2.368 209 S HA -0.226 4.244 4.470 -0.000 0.000 0.226 209 S C 2.076 176.757 174.600 0.135 0.000 1.044 209 S CA 2.731 60.932 58.200 0.002 0.000 1.062 209 S CB -0.874 62.269 63.200 -0.095 0.000 0.931 209 S HN 1.060 nan 8.310 nan 0.000 0.440 210 V N 0.096 120.039 119.914 0.048 0.000 2.379 210 V HA 0.151 4.271 4.120 -0.000 0.000 0.245 210 V C 2.489 178.576 176.094 -0.012 0.000 1.044 210 V CA 1.593 63.896 62.300 0.005 0.000 1.036 210 V CB -1.638 30.186 31.823 0.003 0.000 0.664 210 V HN 0.501 nan 8.190 nan 0.000 0.453 211 A N 1.809 124.653 122.820 0.041 0.000 1.908 211 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 211 A C 2.605 180.220 177.584 0.052 0.000 1.181 211 A CA 2.920 54.992 52.037 0.059 0.000 0.627 211 A CB -1.103 18.024 19.000 0.212 0.000 0.818 211 A HN 0.948 nan 8.150 nan 0.000 0.445 212 S N 0.195 115.949 115.700 0.091 0.000 2.345 212 S HA -0.097 4.373 4.470 -0.000 0.000 0.220 212 S C 1.933 176.553 174.600 0.032 0.000 1.031 212 S CA 1.386 59.644 58.200 0.098 0.000 0.996 212 S CB -0.928 62.379 63.200 0.179 0.000 0.882 212 S HN 0.430 nan 8.310 nan 0.000 0.445 213 L N 2.050 123.274 121.223 0.001 0.000 2.013 213 L HA -0.117 4.222 4.340 -0.000 0.000 0.212 213 L C 3.155 179.882 176.870 -0.240 0.000 1.073 213 L CA 1.847 56.617 54.840 -0.116 0.000 0.753 213 L CB -1.488 40.479 42.059 -0.154 0.000 0.890 213 L HN 0.623 nan 8.230 nan 0.000 0.432 214 T N -3.620 110.686 114.554 -0.414 0.000 3.118 214 T HA -0.050 4.300 4.350 -0.000 0.000 0.260 214 T C 0.939 175.435 174.700 -0.340 0.000 1.139 214 T CA 0.492 62.104 62.100 -0.813 0.000 1.085 214 T CB -0.441 68.042 68.868 -0.642 0.000 0.934 214 T HN 0.416 nan 8.240 nan 0.000 0.518 215 N N 0.930 119.561 118.700 -0.115 0.000 2.708 215 N HA -0.174 4.566 4.740 -0.000 0.000 0.255 215 N C 0.234 175.732 175.510 -0.020 0.000 1.046 215 N CA 0.894 53.935 53.050 -0.014 0.000 0.715 215 N CB -1.945 36.567 38.487 0.042 0.000 0.895 215 N HN 0.906 nan 8.380 nan 0.000 0.545 216 I N -2.817 117.737 120.570 -0.027 0.000 4.240 216 I HA 0.389 4.559 4.170 -0.000 0.000 0.331 216 I C 0.253 176.359 176.117 -0.018 0.000 1.381 216 I CA -0.635 60.651 61.300 -0.025 0.000 1.136 216 I CB 0.138 38.106 38.000 -0.054 0.000 1.137 216 I HN 0.041 nan 8.210 nan 0.000 0.411 217 I N 4.074 124.660 120.570 0.026 0.000 2.662 217 I HA 0.039 4.209 4.170 -0.000 0.000 0.285 217 I C 1.014 177.153 176.117 0.038 0.000 1.161 217 I CA 0.457 61.792 61.300 0.058 0.000 1.415 217 I CB 0.488 38.595 38.000 0.178 0.000 1.385 217 I HN 0.386 nan 8.210 nan 0.000 0.552 218 T N 3.199 117.748 114.554 -0.008 0.000 2.923 218 T HA 0.385 4.735 4.350 -0.000 0.000 0.281 218 T C -1.755 172.984 174.700 0.065 0.000 0.995 218 T CA -1.792 60.336 62.100 0.048 0.000 0.985 218 T CB 1.608 70.535 68.868 0.098 0.000 1.114 218 T HN 0.266 nan 8.240 nan 0.000 0.548 219 P HA -0.060 nan 4.420 nan 0.000 0.216 219 P C 1.068 178.420 177.300 0.087 0.000 1.150 219 P CA 1.097 64.247 63.100 0.084 0.000 0.837 219 P CB 0.027 31.770 31.700 0.072 0.000 0.786 220 D N -1.529 118.924 120.400 0.089 0.000 2.360 220 D HA -0.013 4.627 4.640 -0.000 0.000 0.210 220 D C 1.794 178.130 176.300 0.059 0.000 1.047 220 D CA -0.056 53.995 54.000 0.086 0.000 0.854 220 D CB -0.705 40.146 40.800 0.085 0.000 0.936 220 D HN 0.021 nan 8.370 nan 0.000 0.514 221 L N 0.389 121.583 121.223 -0.049 0.000 2.021 221 L HA -0.117 4.223 4.340 -0.000 0.000 0.215 221 L C 1.144 177.731 176.870 -0.471 0.000 1.074 221 L CA 1.731 56.329 54.840 -0.403 0.000 0.760 221 L CB -0.712 40.873 42.059 -0.790 0.000 0.889 221 L HN -0.042 nan 8.230 nan 0.000 0.433 222 F N -0.455 119.564 119.950 0.115 0.000 2.819 222 F HA 0.234 4.761 4.527 -0.000 0.000 0.294 222 F C 0.737 176.595 175.800 0.097 0.000 1.166 222 F CA -0.759 57.325 58.000 0.140 0.000 1.374 222 F CB -0.210 38.867 39.000 0.127 0.000 0.956 222 F HN -0.103 nan 8.300 nan 0.000 0.509 223 E N 1.036 121.324 120.200 0.147 0.000 2.498 223 E HA 0.059 4.409 4.350 -0.000 0.000 0.252 223 E C 1.294 177.953 176.600 0.098 0.000 1.025 223 E CA 0.905 57.368 56.400 0.104 0.000 0.938 223 E CB 0.600 30.330 29.700 0.049 0.000 0.947 223 E HN 0.664 nan 8.360 nan 0.000 0.478 224 G N 3.794 112.665 108.800 0.118 0.000 2.212 224 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.266 224 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.266 224 G C 1.302 176.310 174.900 0.180 0.000 0.978 224 G CA 0.871 46.043 45.100 0.119 0.000 0.632 224 G HN 0.539 nan 8.290 nan 0.000 0.537 225 T N 1.069 115.757 114.554 0.224 0.000 2.684 225 T HA 0.054 4.403 4.350 -0.000 0.000 0.267 225 T C 2.806 177.681 174.700 0.291 0.000 1.036 225 T CA 2.671 64.954 62.100 0.304 0.000 1.148 225 T CB -0.542 68.593 68.868 0.445 0.000 0.863 225 T HN 1.302 nan 8.240 nan 0.000 0.436 226 A N 1.687 124.626 122.820 0.199 0.000 1.892 226 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 226 A C 2.239 179.893 177.584 0.116 0.000 1.188 226 A CA 1.976 54.091 52.037 0.129 0.000 0.631 226 A CB -0.667 18.384 19.000 0.085 0.000 0.822 226 A HN 0.458 nan 8.150 nan 0.000 0.447 227 E N -1.503 118.771 120.200 0.123 0.000 2.110 227 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 227 E C 1.540 178.187 176.600 0.079 0.000 0.988 227 E CA 1.234 57.682 56.400 0.081 0.000 0.804 227 E CB -0.357 29.392 29.700 0.081 0.000 0.745 227 E HN 0.842 nan 8.360 nan 0.000 0.458 228 W N 0.972 122.279 121.300 0.011 0.000 2.354 228 W HA -0.118 4.542 4.660 -0.000 0.000 0.315 228 W C 1.741 178.254 176.519 -0.010 0.000 1.206 228 W CA 1.549 58.895 57.345 0.002 0.000 1.290 228 W CB -0.287 29.183 29.460 0.016 0.000 1.152 228 W HN -0.023 nan 8.180 nan 0.000 0.489 229 I N 0.875 121.541 120.570 0.160 0.000 2.151 229 I HA -0.384 3.786 4.170 -0.000 0.000 0.243 229 I C 2.638 178.637 176.117 -0.196 0.000 1.080 229 I CA 1.694 62.982 61.300 -0.020 0.000 1.339 229 I CB -1.349 36.719 38.000 0.113 0.000 1.039 229 I HN 0.109 nan 8.210 nan 0.000 0.409 230 A N 1.077 123.828 122.820 -0.116 0.000 1.903 230 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 230 A C 2.360 179.824 177.584 -0.200 0.000 1.191 230 A CA 1.847 53.808 52.037 -0.127 0.000 0.638 230 A CB -0.742 18.217 19.000 -0.069 0.000 0.823 230 A HN 0.382 nan 8.150 nan 0.000 0.451 231 R N -1.068 119.269 120.500 -0.271 0.000 2.241 231 R HA -0.123 4.217 4.340 -0.000 0.000 0.224 231 R C 1.905 177.977 176.300 -0.381 0.000 1.101 231 R CA 1.234 57.147 56.100 -0.312 0.000 0.995 231 R CB -0.730 29.353 30.300 -0.362 0.000 0.870 231 R HN 0.640 nan 8.270 nan 0.000 0.463 232 C N 0.469 119.486 119.300 -0.473 0.000 2.468 232 C HA -0.017 4.443 4.460 -0.000 0.000 0.277 232 C C 1.489 176.287 174.990 -0.320 0.000 1.400 232 C CA -0.348 58.404 59.018 -0.444 0.000 1.770 232 C CB -0.760 26.671 27.740 -0.515 0.000 1.905 232 C HN 0.472 nan 8.230 nan 0.000 0.519 233 Q N 2.598 122.235 119.800 -0.272 0.000 2.311 233 Q HA 0.115 4.455 4.340 -0.000 0.000 0.272 233 Q C 0.249 176.111 176.000 -0.231 0.000 1.012 233 Q CA 0.440 56.088 55.803 -0.257 0.000 0.891 233 Q CB 0.550 29.170 28.738 -0.196 0.000 1.201 233 Q HN 0.722 nan 8.270 nan 0.000 0.391 234 N N 3.550 122.076 118.700 -0.289 0.000 2.989 234 N HA 0.139 4.879 4.740 -0.000 0.000 0.338 234 N C 0.737 176.146 175.510 -0.169 0.000 1.369 234 N CA -0.539 52.382 53.050 -0.216 0.000 0.794 234 N CB -0.435 37.875 38.487 -0.296 0.000 1.359 234 N HN 0.887 nan 8.380 nan 0.000 0.609 235 W N -0.535 120.708 121.300 -0.095 0.000 2.421 235 W HA 0.025 4.685 4.660 -0.000 0.000 0.270 235 W C 0.411 176.907 176.519 -0.038 0.000 1.233 235 W CA 0.714 58.025 57.345 -0.056 0.000 1.226 235 W CB -0.787 28.651 29.460 -0.037 0.000 1.121 235 W HN 0.553 nan 8.180 nan 0.000 0.579 236 E N 0.309 120.014 120.200 -0.824 0.000 2.358 236 E HA 0.120 4.469 4.350 -0.000 0.000 0.195 236 E C 2.085 178.522 176.600 -0.271 0.000 1.010 236 E CA 0.899 56.911 56.400 -0.647 0.000 0.856 236 E CB -0.330 28.813 29.700 -0.929 0.000 0.795 236 E HN 0.442 nan 8.360 nan 0.000 0.504 237 G N 0.509 109.121 108.800 -0.313 0.000 2.279 237 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.223 237 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.223 237 G C 0.678 175.343 174.900 -0.392 0.000 1.015 237 G CA -0.158 44.832 45.100 -0.183 0.000 0.621 237 G HN 0.526 nan 8.290 nan 0.000 0.506 238 G N -0.292 107.922 108.800 -0.977 0.000 2.514 238 G HA2 0.605 4.565 3.960 -0.000 0.000 0.245 238 G HA3 0.605 4.565 3.960 -0.000 0.000 0.245 238 G C -0.136 174.251 174.900 -0.855 0.000 1.488 238 G CA -0.119 44.089 45.100 -1.486 0.000 1.063 238 G HN 0.821 nan 8.290 nan 0.000 0.557 239 I N -0.221 119.882 120.570 -0.778 0.000 2.569 239 I HA 0.450 4.620 4.170 -0.000 0.000 0.290 239 I C 0.583 176.521 176.117 -0.299 0.000 1.088 239 I CA -0.780 60.264 61.300 -0.427 0.000 1.047 239 I CB 2.293 40.126 38.000 -0.278 0.000 1.237 239 I HN 0.630 nan 8.210 nan 0.000 0.421 240 G N 2.487 111.123 108.800 -0.275 0.000 2.535 240 G HA2 0.444 4.404 3.960 -0.000 0.000 0.303 240 G HA3 0.444 4.404 3.960 -0.000 0.000 0.303 240 G C 0.880 175.561 174.900 -0.366 0.000 1.237 240 G CA -0.025 44.946 45.100 -0.214 0.000 0.986 240 G HN 0.782 nan 8.290 nan 0.000 0.494 241 G N -1.487 106.898 108.800 -0.692 0.000 2.402 241 G HA2 0.250 4.209 3.960 -0.000 0.000 0.216 241 G HA3 0.250 4.209 3.960 -0.000 0.000 0.216 241 G C 0.583 175.171 174.900 -0.521 0.000 1.162 241 G CA 1.815 46.104 45.100 -1.353 0.000 0.777 241 G HN 1.490 nan 8.290 nan 0.000 0.539 242 V N -4.537 115.174 119.914 -0.339 0.000 3.049 242 V HA 0.635 4.754 4.120 -0.000 0.000 0.309 242 V C -3.009 172.924 176.094 -0.267 0.000 1.148 242 V CA -3.033 59.148 62.300 -0.198 0.000 0.990 242 V CB 1.853 33.685 31.823 0.015 0.000 1.039 242 V HN -0.122 nan 8.190 nan 0.000 0.430 243 P HA 0.218 nan 4.420 nan 0.000 0.259 243 P C 1.080 178.294 177.300 -0.144 0.000 1.155 243 P CA 2.532 65.467 63.100 -0.275 0.000 0.759 243 P CB 0.344 31.887 31.700 -0.263 0.000 0.753 244 G N 1.919 110.654 108.800 -0.109 0.000 2.234 244 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.235 244 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.235 244 G C 0.206 175.098 174.900 -0.014 0.000 0.997 244 G CA -0.368 44.712 45.100 -0.033 0.000 0.623 244 G HN 0.411 nan 8.290 nan 0.000 0.514 245 M N 1.338 120.896 119.600 -0.070 0.000 2.288 245 M HA 0.421 4.901 4.480 -0.000 0.000 0.334 245 M C 0.764 177.025 176.300 -0.065 0.000 1.150 245 M CA -1.041 54.227 55.300 -0.053 0.000 1.118 245 M CB 0.911 33.455 32.600 -0.093 0.000 1.501 245 M HN 0.393 nan 8.290 nan 0.000 0.462 246 E N 1.138 121.332 120.200 -0.011 0.000 2.508 246 E HA 0.180 4.530 4.350 -0.000 0.000 0.266 246 E C -0.642 175.897 176.600 -0.102 0.000 1.010 246 E CA -0.227 56.149 56.400 -0.039 0.000 0.955 246 E CB 0.686 30.418 29.700 0.054 0.000 0.946 246 E HN 0.703 nan 8.360 nan 0.000 0.454 247 A N 4.606 127.275 122.820 -0.251 0.000 2.425 247 A HA 0.170 4.490 4.320 -0.000 0.000 0.249 247 A C -0.518 177.037 177.584 -0.049 0.000 1.084 247 A CA -0.018 51.786 52.037 -0.389 0.000 0.781 247 A CB 0.485 18.917 19.000 -0.946 0.000 1.019 247 A HN 0.718 nan 8.150 nan 0.000 0.490 248 H N 1.103 120.096 119.070 -0.128 0.000 2.954 248 H HA 0.332 4.888 4.556 -0.000 0.000 0.361 248 H C 1.186 176.553 175.328 0.066 0.000 1.122 248 H CA 0.123 56.202 56.048 0.052 0.000 1.217 248 H CB 1.777 31.574 29.762 0.060 0.000 1.776 248 H HN 0.746 nan 8.280 nan 0.000 0.533 249 G N 2.503 111.216 108.800 -0.145 0.000 2.529 249 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.219 249 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.219 249 G C 1.543 176.486 174.900 0.073 0.000 1.177 249 G CA 1.056 46.165 45.100 0.015 0.000 0.773 249 G HN 0.683 nan 8.290 nan 0.000 0.573 250 G N -0.188 108.586 108.800 -0.044 0.000 2.446 250 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 250 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 250 G C 1.662 176.404 174.900 -0.264 0.000 1.168 250 G CA 1.056 45.867 45.100 -0.482 0.000 0.771 250 G HN 0.545 nan 8.290 nan 0.000 0.551 251 Y N 0.831 121.120 120.300 -0.017 0.000 2.200 251 Y HA -0.107 4.443 4.550 -0.000 0.000 0.290 251 Y C 3.422 179.282 175.900 -0.066 0.000 1.137 251 Y CA 1.169 59.240 58.100 -0.049 0.000 1.163 251 Y CB -0.370 38.057 38.460 -0.054 0.000 0.988 251 Y HN 0.129 nan 8.280 nan 0.000 0.518 252 T N 0.744 115.344 114.554 0.078 0.000 2.652 252 T HA -0.276 4.074 4.350 -0.000 0.000 0.267 252 T C 1.551 176.242 174.700 -0.016 0.000 1.039 252 T CA 1.750 63.827 62.100 -0.038 0.000 1.153 252 T CB -0.813 68.026 68.868 -0.048 0.000 0.863 252 T HN 0.327 nan 8.240 nan 0.000 0.428 253 F N 1.356 121.272 119.950 -0.057 0.000 2.046 253 F HA -0.224 4.303 4.527 -0.000 0.000 0.297 253 F C 2.629 178.291 175.800 -0.230 0.000 1.123 253 F CA 1.139 59.084 58.000 -0.090 0.000 1.199 253 F CB -0.795 38.251 39.000 0.077 0.000 0.972 253 F HN 0.167 nan 8.300 nan 0.000 0.474 254 C N 0.824 120.116 119.300 -0.013 0.000 2.385 254 C HA -0.209 4.251 4.460 -0.000 0.000 0.275 254 C C 3.065 177.947 174.990 -0.180 0.000 1.207 254 C CA 1.396 60.282 59.018 -0.220 0.000 1.760 254 C CB -1.986 25.789 27.740 0.058 0.000 2.051 254 C HN 0.781 nan 8.230 nan 0.000 0.467 255 G N -0.162 108.585 108.800 -0.088 0.000 2.453 255 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.215 255 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.215 255 G C 1.445 176.258 174.900 -0.145 0.000 1.201 255 G CA 0.998 46.054 45.100 -0.072 0.000 0.784 255 G HN 0.415 nan 8.290 nan 0.000 0.545 256 L N 1.691 122.780 121.223 -0.223 0.000 1.971 256 L HA 0.009 4.349 4.340 -0.000 0.000 0.215 256 L C 3.175 179.875 176.870 -0.283 0.000 1.072 256 L CA 2.394 57.090 54.840 -0.241 0.000 0.758 256 L CB -1.190 40.703 42.059 -0.276 0.000 0.889 256 L HN 0.296 nan 8.230 nan 0.000 0.433 257 A N -0.422 122.098 122.820 -0.500 0.000 1.869 257 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 257 A C 2.475 179.975 177.584 -0.139 0.000 1.203 257 A CA 2.996 54.769 52.037 -0.440 0.000 0.638 257 A CB -1.510 17.008 19.000 -0.803 0.000 0.831 257 A HN 0.667 nan 8.150 nan 0.000 0.450 258 A N -0.562 122.228 122.820 -0.050 0.000 1.892 258 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 258 A C 2.219 179.757 177.584 -0.077 0.000 1.188 258 A CA 1.754 53.798 52.037 0.012 0.000 0.631 258 A CB -0.717 18.315 19.000 0.052 0.000 0.822 258 A HN 0.522 nan 8.150 nan 0.000 0.447 259 L N -0.509 120.669 121.223 -0.074 0.000 2.083 259 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 259 L C 2.515 179.352 176.870 -0.054 0.000 1.083 259 L CA 1.056 55.860 54.840 -0.060 0.000 0.752 259 L CB -0.562 41.465 42.059 -0.053 0.000 0.899 259 L HN 0.275 nan 8.230 nan 0.000 0.433 260 V N 0.178 120.052 119.914 -0.067 0.000 2.407 260 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 260 V C 2.284 178.374 176.094 -0.007 0.000 1.055 260 V CA 1.700 63.979 62.300 -0.034 0.000 1.049 260 V CB -0.279 31.514 31.823 -0.049 0.000 0.662 260 V HN 0.330 nan 8.190 nan 0.000 0.455 261 I N -0.535 120.015 120.570 -0.033 0.000 2.252 261 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 261 I C 2.080 178.178 176.117 -0.032 0.000 1.102 261 I CA 1.452 62.741 61.300 -0.018 0.000 1.385 261 I CB -0.213 37.746 38.000 -0.068 0.000 1.064 261 I HN 0.231 nan 8.210 nan 0.000 0.414 262 L N 0.763 121.938 121.223 -0.081 0.000 2.622 262 L HA -0.062 4.278 4.340 -0.000 0.000 0.233 262 L C 0.497 177.366 176.870 -0.001 0.000 1.156 262 L CA 0.463 55.264 54.840 -0.064 0.000 0.866 262 L CB -0.499 41.501 42.059 -0.099 0.000 0.980 262 L HN 0.286 nan 8.230 nan 0.000 0.448 263 K N 0.157 120.561 120.400 0.007 0.000 3.077 263 K HA -0.191 4.129 4.320 -0.000 0.000 0.264 263 K C 0.120 176.733 176.600 0.021 0.000 1.008 263 K CA 0.420 56.721 56.287 0.025 0.000 0.740 263 K CB -1.051 31.473 32.500 0.040 0.000 1.273 263 K HN 0.224 nan 8.250 nan 0.000 0.477 264 K N 0.180 120.585 120.400 0.008 0.000 2.676 264 K HA 0.060 4.379 4.320 -0.000 0.000 0.205 264 K C 0.362 176.962 176.600 0.000 0.000 1.084 264 K CA -0.019 56.275 56.287 0.011 0.000 1.057 264 K CB 0.822 33.332 32.500 0.017 0.000 0.791 264 K HN 0.203 nan 8.250 nan 0.000 0.484 265 E N 0.980 121.177 120.200 -0.004 0.000 2.130 265 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 265 E C 1.592 178.187 176.600 -0.008 0.000 0.998 265 E CA 1.232 57.624 56.400 -0.013 0.000 0.806 265 E CB -0.086 29.610 29.700 -0.006 0.000 0.738 265 E HN 0.194 nan 8.360 nan 0.000 0.459 266 R N 0.492 120.994 120.500 0.003 0.000 2.170 266 R HA -0.077 4.263 4.340 -0.000 0.000 0.242 266 R C 2.045 178.345 176.300 -0.002 0.000 1.145 266 R CA 1.292 57.395 56.100 0.004 0.000 0.984 266 R CB -0.434 29.872 30.300 0.010 0.000 0.869 266 R HN 0.100 nan 8.270 nan 0.000 0.455 267 S N 0.665 116.363 115.700 -0.003 0.000 2.528 267 S HA -0.013 4.457 4.470 -0.000 0.000 0.244 267 S C 0.822 175.409 174.600 -0.022 0.000 0.982 267 S CA 0.688 58.883 58.200 -0.008 0.000 0.953 267 S CB -0.109 63.089 63.200 -0.003 0.000 0.754 267 S HN 0.161 nan 8.310 nan 0.000 0.529 268 L N 1.182 122.389 121.223 -0.026 0.000 2.303 268 L HA 0.442 4.782 4.340 -0.000 0.000 0.266 268 L C 0.239 177.093 176.870 -0.025 0.000 1.011 268 L CA -0.929 53.887 54.840 -0.039 0.000 0.818 268 L CB 0.780 42.807 42.059 -0.053 0.000 1.326 268 L HN -0.105 nan 8.230 nan 0.000 0.435 269 N N 1.784 120.466 118.700 -0.030 0.000 2.739 269 N HA 0.142 4.882 4.740 -0.000 0.000 0.266 269 N C 0.714 176.221 175.510 -0.006 0.000 1.168 269 N CA 0.099 53.141 53.050 -0.013 0.000 1.055 269 N CB 0.345 38.824 38.487 -0.012 0.000 1.393 269 N HN 0.591 nan 8.380 nan 0.000 0.514 270 L N 1.737 122.961 121.223 0.002 0.000 2.187 270 L HA -0.188 4.152 4.340 -0.000 0.000 0.213 270 L C 2.351 179.242 176.870 0.034 0.000 1.100 270 L CA 1.084 55.932 54.840 0.014 0.000 0.765 270 L CB -0.241 41.828 42.059 0.016 0.000 0.904 270 L HN 0.506 nan 8.230 nan 0.000 0.437 271 K N 0.744 121.164 120.400 0.034 0.000 1.973 271 K HA -0.202 4.118 4.320 -0.000 0.000 0.212 271 K C 2.396 179.033 176.600 0.062 0.000 1.047 271 K CA 1.976 58.291 56.287 0.047 0.000 0.937 271 K CB -0.158 32.366 32.500 0.040 0.000 0.721 271 K HN 0.298 nan 8.250 nan 0.000 0.440 272 S N 1.320 117.051 115.700 0.053 0.000 2.383 272 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 272 S C 2.026 176.687 174.600 0.101 0.000 1.030 272 S CA 1.217 59.459 58.200 0.069 0.000 1.002 272 S CB -0.679 62.546 63.200 0.041 0.000 0.829 272 S HN 0.370 nan 8.310 nan 0.000 0.467 273 L N 1.597 122.860 121.223 0.068 0.000 1.989 273 L HA 0.022 4.362 4.340 -0.000 0.000 0.211 273 L C 2.318 179.305 176.870 0.195 0.000 1.071 273 L CA 1.900 56.800 54.840 0.100 0.000 0.749 273 L CB -1.345 40.732 42.059 0.029 0.000 0.890 273 L HN 0.441 nan 8.230 nan 0.000 0.431 274 L N -0.166 121.136 121.223 0.131 0.000 1.989 274 L HA -0.276 4.064 4.340 -0.000 0.000 0.211 274 L C 2.629 179.579 176.870 0.134 0.000 1.071 274 L CA 2.467 57.383 54.840 0.127 0.000 0.749 274 L CB -1.026 41.095 42.059 0.104 0.000 0.890 274 L HN 0.616 nan 8.230 nan 0.000 0.431 275 Q N -1.728 118.148 119.800 0.128 0.000 2.135 275 Q HA -0.289 4.051 4.340 -0.000 0.000 0.204 275 Q C 2.073 178.141 176.000 0.114 0.000 0.981 275 Q CA 2.345 58.215 55.803 0.111 0.000 0.856 275 Q CB -0.551 28.250 28.738 0.105 0.000 0.902 275 Q HN 0.695 nan 8.270 nan 0.000 0.425 276 W N -0.324 120.973 121.300 -0.006 0.000 2.378 276 W HA -0.194 4.466 4.660 -0.000 0.000 0.313 276 W C 2.020 178.530 176.519 -0.015 0.000 1.197 276 W CA 1.613 58.938 57.345 -0.034 0.000 1.304 276 W CB -0.773 28.637 29.460 -0.083 0.000 1.148 276 W HN 0.048 nan 8.180 nan 0.000 0.494 277 V N 1.576 121.444 119.914 -0.077 0.000 2.287 277 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 277 V C 2.500 178.468 176.094 -0.210 0.000 1.053 277 V CA 3.595 65.670 62.300 -0.375 0.000 1.027 277 V CB -1.298 30.502 31.823 -0.039 0.000 0.646 277 V HN 0.495 nan 8.190 nan 0.000 0.447 278 T N -2.449 112.095 114.554 -0.017 0.000 2.849 278 T HA -0.160 4.190 4.350 -0.000 0.000 0.270 278 T C 1.761 176.468 174.700 0.012 0.000 1.066 278 T CA 1.826 63.984 62.100 0.096 0.000 1.130 278 T CB -0.669 68.267 68.868 0.113 0.000 0.864 278 T HN 0.519 nan 8.240 nan 0.000 0.481 279 S N 0.991 116.623 115.700 -0.112 0.000 2.561 279 S HA 0.124 4.594 4.470 -0.000 0.000 0.225 279 S C 1.932 176.410 174.600 -0.203 0.000 0.977 279 S CA -0.066 58.050 58.200 -0.141 0.000 0.926 279 S CB -0.144 62.967 63.200 -0.148 0.000 0.769 279 S HN 0.425 nan 8.310 nan 0.000 0.533 280 R N 1.370 121.725 120.500 -0.243 0.000 2.240 280 R HA 0.133 4.473 4.340 -0.000 0.000 0.203 280 R C 0.956 177.216 176.300 -0.066 0.000 1.011 280 R CA 0.148 56.137 56.100 -0.186 0.000 1.007 280 R CB -0.390 29.703 30.300 -0.344 0.000 0.911 280 R HN 0.505 nan 8.270 nan 0.000 0.468 281 Q N 1.370 120.967 119.800 -0.338 0.000 2.286 281 Q HA 0.082 4.422 4.340 -0.000 0.000 0.267 281 Q C -0.483 175.264 176.000 -0.421 0.000 1.028 281 Q CA -0.179 55.040 55.803 -0.972 0.000 0.901 281 Q CB 0.624 28.702 28.738 -1.099 0.000 1.183 281 Q HN -0.143 nan 8.270 nan 0.000 0.392 282 M N 4.451 123.840 119.600 -0.350 0.000 2.268 282 M HA 0.018 4.498 4.480 -0.000 0.000 0.349 282 M C 1.232 177.476 176.300 -0.093 0.000 1.485 282 M CA 0.653 55.855 55.300 -0.162 0.000 1.094 282 M CB 0.283 32.805 32.600 -0.130 0.000 1.843 282 M HN 0.721 nan 8.290 nan 0.000 0.460 283 R N 2.231 122.722 120.500 -0.014 0.000 2.083 283 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 283 R C 1.694 178.072 176.300 0.130 0.000 1.137 283 R CA 1.675 57.802 56.100 0.045 0.000 0.951 283 R CB -0.634 29.692 30.300 0.044 0.000 0.851 283 R HN 0.528 nan 8.270 nan 0.000 0.434 284 F N 2.202 122.151 119.950 -0.001 0.000 2.118 284 F HA 0.044 4.571 4.527 -0.000 0.000 0.293 284 F C 1.718 177.730 175.800 0.354 0.000 1.102 284 F CA 1.477 59.515 58.000 0.063 0.000 1.247 284 F CB -0.041 38.981 39.000 0.037 0.000 1.017 284 F HN -0.016 nan 8.300 nan 0.000 0.475 285 E N -0.090 120.176 120.200 0.110 0.000 2.274 285 E HA 0.101 4.451 4.350 -0.000 0.000 0.194 285 E C 1.954 178.554 176.600 0.001 0.000 0.996 285 E CA 0.996 57.413 56.400 0.029 0.000 0.840 285 E CB -0.582 29.081 29.700 -0.061 0.000 0.772 285 E HN 0.574 nan 8.360 nan 0.000 0.491 286 G N 0.170 108.925 108.800 -0.075 0.000 2.396 286 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.242 286 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.242 286 G C 0.716 175.450 174.900 -0.277 0.000 1.069 286 G CA 0.147 45.170 45.100 -0.129 0.000 0.633 286 G HN 0.636 nan 8.290 nan 0.000 0.517 287 G N -0.609 107.869 108.800 -0.536 0.000 2.563 287 G HA2 0.579 4.539 3.960 -0.000 0.000 0.283 287 G HA3 0.579 4.539 3.960 -0.000 0.000 0.283 287 G C -0.415 174.217 174.900 -0.446 0.000 1.309 287 G CA -0.594 44.157 45.100 -0.582 0.000 1.022 287 G HN 0.317 nan 8.290 nan 0.000 0.501 288 F N -0.577 119.269 119.950 -0.173 0.000 2.432 288 F HA 0.400 4.927 4.527 -0.000 0.000 0.329 288 F C 0.830 176.601 175.800 -0.049 0.000 1.076 288 F CA -0.605 57.325 58.000 -0.116 0.000 1.018 288 F CB 2.033 40.976 39.000 -0.094 0.000 1.201 288 F HN 0.521 nan 8.300 nan 0.000 0.489 289 Q N 0.631 120.481 119.800 0.083 0.000 2.204 289 Q HA 0.568 4.908 4.340 -0.000 0.000 0.254 289 Q C 0.463 176.216 176.000 -0.413 0.000 0.981 289 Q CA -0.596 55.185 55.803 -0.037 0.000 0.897 289 Q CB 1.753 30.450 28.738 -0.068 0.000 1.273 289 Q HN 0.808 nan 8.270 nan 0.000 0.464 290 G N 1.154 109.528 108.800 -0.709 0.000 2.408 290 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.215 290 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.215 290 G C 0.138 174.610 174.900 -0.714 0.000 1.156 290 G CA 0.099 44.346 45.100 -1.421 0.000 0.793 290 G HN 0.670 nan 8.290 nan 0.000 0.535 291 R N -1.666 118.658 120.500 -0.293 0.000 2.680 291 R HA 0.444 4.784 4.340 -0.000 0.000 0.269 291 R C -0.978 175.318 176.300 -0.007 0.000 1.026 291 R CA -0.942 55.141 56.100 -0.028 0.000 0.889 291 R CB 0.248 30.610 30.300 0.103 0.000 1.241 291 R HN 0.006 nan 8.270 nan 0.000 0.463 292 C N 2.773 122.101 119.300 0.047 0.000 2.502 292 C HA -0.013 4.447 4.460 -0.000 0.000 0.404 292 C C 0.979 175.996 174.990 0.044 0.000 1.409 292 C CA 1.159 60.191 59.018 0.024 0.000 1.648 292 C CB -1.219 26.562 27.740 0.068 0.000 2.571 292 C HN 1.037 nan 8.230 nan 0.000 0.601 293 N N 2.033 120.750 118.700 0.028 0.000 2.800 293 N HA -0.140 4.600 4.740 -0.000 0.000 0.250 293 N C -0.394 175.144 175.510 0.047 0.000 1.078 293 N CA 1.442 54.517 53.050 0.042 0.000 0.804 293 N CB -0.649 37.875 38.487 0.060 0.000 1.135 293 N HN 0.812 nan 8.380 nan 0.000 0.565 294 K N -0.102 120.321 120.400 0.039 0.000 2.316 294 K HA 0.525 4.844 4.320 -0.000 0.000 0.234 294 K C 0.537 177.171 176.600 0.056 0.000 1.054 294 K CA -0.800 55.522 56.287 0.058 0.000 0.879 294 K CB 1.208 33.754 32.500 0.077 0.000 1.252 294 K HN -0.056 nan 8.250 nan 0.000 0.471 295 L N 1.085 122.360 121.223 0.087 0.000 2.453 295 L HA 0.198 4.538 4.340 -0.000 0.000 0.261 295 L C 0.697 177.641 176.870 0.123 0.000 1.179 295 L CA -0.519 54.378 54.840 0.095 0.000 0.813 295 L CB 0.719 42.842 42.059 0.107 0.000 1.110 295 L HN 0.294 nan 8.230 nan 0.000 0.466 296 V N 1.249 121.221 119.914 0.096 0.000 3.237 296 V HA 0.178 4.298 4.120 -0.000 0.000 0.305 296 V C -0.446 175.772 176.094 0.207 0.000 1.096 296 V CA 0.280 62.634 62.300 0.090 0.000 1.130 296 V CB 1.499 33.273 31.823 -0.082 0.000 1.048 296 V HN 0.914 nan 8.190 nan 0.000 0.484 297 D N 2.121 122.687 120.400 0.277 0.000 2.812 297 D HA 0.314 4.954 4.640 -0.000 0.000 0.210 297 D C 0.665 177.126 176.300 0.268 0.000 1.260 297 D CA 0.200 54.370 54.000 0.283 0.000 0.817 297 D CB 1.613 42.563 40.800 0.250 0.000 1.694 297 D HN 0.645 nan 8.370 nan 0.000 0.530 298 G N 1.748 110.730 108.800 0.303 0.000 2.513 298 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.219 298 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.219 298 G C 1.855 176.839 174.900 0.141 0.000 1.160 298 G CA 1.732 47.005 45.100 0.287 0.000 0.767 298 G HN 0.795 nan 8.290 nan 0.000 0.571 299 C N -0.923 118.386 119.300 0.015 0.000 2.403 299 C HA -0.099 4.361 4.460 -0.000 0.000 0.277 299 C C 2.494 177.361 174.990 -0.204 0.000 1.248 299 C CA 0.819 59.655 59.018 -0.303 0.000 1.762 299 C CB -1.825 25.583 27.740 -0.553 0.000 2.014 299 C HN 0.500 nan 8.230 nan 0.000 0.486 300 Y N 2.192 122.584 120.300 0.152 0.000 2.483 300 Y HA -0.117 4.433 4.550 -0.000 0.000 0.291 300 Y C 2.822 178.699 175.900 -0.038 0.000 1.143 300 Y CA 0.783 58.948 58.100 0.108 0.000 1.289 300 Y CB -0.468 38.058 38.460 0.111 0.000 0.983 300 Y HN 0.340 nan 8.280 nan 0.000 0.556 301 S N 0.076 115.873 115.700 0.162 0.000 2.420 301 S HA -0.216 4.254 4.470 -0.000 0.000 0.237 301 S C 1.506 176.083 174.600 -0.038 0.000 1.023 301 S CA 1.599 59.873 58.200 0.123 0.000 0.991 301 S CB -0.374 62.931 63.200 0.175 0.000 0.792 301 S HN 0.566 nan 8.310 nan 0.000 0.488 302 F N -0.061 119.751 119.950 -0.229 0.000 2.387 302 F HA 0.207 4.734 4.527 -0.000 0.000 0.278 302 F C 1.699 177.304 175.800 -0.325 0.000 1.010 302 F CA -0.107 57.697 58.000 -0.326 0.000 1.236 302 F CB -0.705 38.045 39.000 -0.417 0.000 1.137 302 F HN 0.114 nan 8.300 nan 0.000 0.604 303 W N 1.363 122.630 121.300 -0.055 0.000 2.277 303 W HA -0.335 4.325 4.660 -0.000 0.000 0.327 303 W C 2.523 178.921 176.519 -0.200 0.000 1.284 303 W CA 1.352 58.604 57.345 -0.156 0.000 1.277 303 W CB -0.634 28.887 29.460 0.103 0.000 1.141 303 W HN 0.144 nan 8.180 nan 0.000 0.482 304 Q N -0.361 119.382 119.800 -0.095 0.000 1.937 304 Q HA -0.057 4.283 4.340 -0.000 0.000 0.198 304 Q C 2.467 178.020 176.000 -0.744 0.000 0.977 304 Q CA 1.549 57.065 55.803 -0.478 0.000 0.836 304 Q CB -1.579 26.629 28.738 -0.883 0.000 0.899 304 Q HN 0.296 nan 8.270 nan 0.000 0.437 305 A N 1.209 123.321 122.820 -1.180 0.000 2.032 305 A HA -0.146 4.174 4.320 -0.000 0.000 0.221 305 A C 2.232 179.381 177.584 -0.725 0.000 1.165 305 A CA 1.867 53.232 52.037 -1.120 0.000 0.645 305 A CB -1.145 17.109 19.000 -1.242 0.000 0.807 305 A HN 0.500 nan 8.150 nan 0.000 0.453 306 G N -0.436 107.977 108.800 -0.646 0.000 2.470 306 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.220 306 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.220 306 G C 1.437 176.125 174.900 -0.354 0.000 1.121 306 G CA 0.926 45.669 45.100 -0.596 0.000 0.766 306 G HN 0.481 nan 8.290 nan 0.000 0.553 307 L N -0.308 120.748 121.223 -0.277 0.000 2.046 307 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 307 L C 2.830 179.598 176.870 -0.169 0.000 1.077 307 L CA 0.456 55.176 54.840 -0.199 0.000 0.747 307 L CB -0.392 41.598 42.059 -0.115 0.000 0.896 307 L HN 0.174 nan 8.230 nan 0.000 0.432 308 L N -0.401 120.717 121.223 -0.175 0.000 1.997 308 L HA -0.229 4.111 4.340 -0.000 0.000 0.216 308 L C -0.191 176.649 176.870 -0.050 0.000 1.074 308 L CA 1.927 56.765 54.840 -0.003 0.000 0.763 308 L CB -1.753 40.411 42.059 0.174 0.000 0.890 308 L HN 0.200 nan 8.230 nan 0.000 0.434 309 P HA -0.167 nan 4.420 nan 0.000 0.216 309 P C 1.896 179.124 177.300 -0.120 0.000 1.153 309 P CA 1.301 64.020 63.100 -0.635 0.000 0.848 309 P CB 0.058 31.177 31.700 -0.968 0.000 0.787 310 L N -1.522 119.612 121.223 -0.148 0.000 1.989 310 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 310 L C 2.504 179.385 176.870 0.018 0.000 1.071 310 L CA 1.541 56.331 54.840 -0.082 0.000 0.749 310 L CB -1.185 40.769 42.059 -0.174 0.000 0.890 310 L HN -0.041 nan 8.230 nan 0.000 0.431 311 L N -1.003 120.241 121.223 0.034 0.000 2.012 311 L HA -0.302 4.037 4.340 -0.000 0.000 0.210 311 L C 2.658 179.625 176.870 0.162 0.000 1.073 311 L CA 1.530 56.421 54.840 0.085 0.000 0.748 311 L CB -0.638 41.478 42.059 0.095 0.000 0.891 311 L HN 0.341 nan 8.230 nan 0.000 0.431 312 H N -0.043 119.131 119.070 0.173 0.000 2.289 312 H HA -0.257 4.299 4.556 -0.000 0.000 0.296 312 H C 2.508 177.959 175.328 0.205 0.000 1.091 312 H CA 2.276 58.478 56.048 0.257 0.000 1.274 312 H CB 0.060 30.099 29.762 0.461 0.000 1.364 312 H HN 0.100 nan 8.280 nan 0.000 0.490 313 R N 0.212 120.924 120.500 0.353 0.000 2.091 313 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 313 R C 2.350 178.767 176.300 0.194 0.000 1.136 313 R CA 1.405 57.657 56.100 0.252 0.000 0.959 313 R CB -0.464 29.929 30.300 0.155 0.000 0.856 313 R HN 0.425 nan 8.270 nan 0.000 0.437 314 A N 1.238 124.136 122.820 0.131 0.000 1.855 314 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 314 A C 2.280 179.912 177.584 0.081 0.000 1.191 314 A CA 1.230 53.319 52.037 0.088 0.000 0.613 314 A CB -0.633 18.397 19.000 0.050 0.000 0.829 314 A HN 0.353 nan 8.150 nan 0.000 0.442 315 L N -1.186 120.080 121.223 0.072 0.000 2.012 315 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 315 L C 2.757 179.656 176.870 0.049 0.000 1.073 315 L CA 1.818 56.683 54.840 0.042 0.000 0.748 315 L CB -0.779 41.289 42.059 0.017 0.000 0.891 315 L HN 0.639 nan 8.230 nan 0.000 0.431 316 H N 0.329 119.381 119.070 -0.031 0.000 2.387 316 H HA -0.177 4.379 4.556 -0.000 0.000 0.299 316 H C 2.063 177.409 175.328 0.030 0.000 1.099 316 H CA 1.511 57.555 56.048 -0.006 0.000 1.315 316 H CB 0.351 30.140 29.762 0.045 0.000 1.380 316 H HN 0.354 nan 8.280 nan 0.000 0.513 317 A N 0.732 123.605 122.820 0.088 0.000 2.070 317 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 317 A C 2.114 179.682 177.584 -0.026 0.000 1.159 317 A CA 1.150 53.206 52.037 0.032 0.000 0.656 317 A CB -0.322 18.726 19.000 0.081 0.000 0.800 317 A HN 0.576 nan 8.150 nan 0.000 0.453 318 Q N -1.163 118.623 119.800 -0.022 0.000 2.282 318 Q HA 0.254 4.594 4.340 -0.000 0.000 0.205 318 Q C 0.929 176.896 176.000 -0.055 0.000 0.915 318 Q CA 0.205 55.993 55.803 -0.025 0.000 0.949 318 Q CB -0.051 28.683 28.738 -0.005 0.000 1.035 318 Q HN 0.806 nan 8.270 nan 0.000 0.484 319 G N 2.088 110.817 108.800 -0.118 0.000 2.225 319 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.267 319 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.267 319 G C -0.208 174.640 174.900 -0.087 0.000 1.024 319 G CA 0.357 45.374 45.100 -0.137 0.000 0.784 319 G HN 0.430 nan 8.290 nan 0.000 0.507 320 D N 0.589 120.951 120.400 -0.065 0.000 2.451 320 D HA 0.156 4.796 4.640 -0.000 0.000 0.254 320 D C 0.194 176.487 176.300 -0.011 0.000 1.204 320 D CA -0.837 53.149 54.000 -0.024 0.000 0.896 320 D CB 1.086 41.880 40.800 -0.010 0.000 1.136 320 D HN 0.288 nan 8.370 nan 0.000 0.499 321 P HA 0.020 nan 4.420 nan 0.000 0.230 321 P C 0.768 178.082 177.300 0.024 0.000 1.168 321 P CA 0.221 63.328 63.100 0.012 0.000 0.793 321 P CB 0.340 32.043 31.700 0.005 0.000 0.851 322 A N 0.031 122.863 122.820 0.020 0.000 2.206 322 A HA 0.103 4.423 4.320 -0.000 0.000 0.211 322 A C 1.307 178.911 177.584 0.034 0.000 1.158 322 A CA -0.044 52.008 52.037 0.025 0.000 0.761 322 A CB -1.079 17.935 19.000 0.023 0.000 0.801 322 A HN 0.152 nan 8.150 nan 0.000 0.473 323 L N 1.118 122.361 121.223 0.034 0.000 2.499 323 L HA 0.053 4.393 4.340 -0.000 0.000 0.273 323 L C 1.157 178.087 176.870 0.100 0.000 1.195 323 L CA -0.301 54.562 54.840 0.038 0.000 0.882 323 L CB 0.480 42.498 42.059 -0.067 0.000 1.133 323 L HN 0.292 nan 8.230 nan 0.000 0.483 324 S N 3.012 118.790 115.700 0.130 0.000 2.569 324 S HA 0.096 4.566 4.470 -0.000 0.000 0.274 324 S C 0.855 175.493 174.600 0.062 0.000 1.353 324 S CA -0.227 58.007 58.200 0.056 0.000 1.023 324 S CB 0.546 63.754 63.200 0.013 0.000 0.876 324 S HN 0.622 nan 8.310 nan 0.000 0.540 325 M N 2.415 121.919 119.600 -0.160 0.000 2.306 325 M HA 0.153 4.633 4.480 -0.000 0.000 0.292 325 M C 1.043 176.883 176.300 -0.767 0.000 1.018 325 M CA 0.257 55.439 55.300 -0.196 0.000 1.007 325 M CB -0.110 32.434 32.600 -0.093 0.000 1.510 325 M HN 0.833 nan 8.290 nan 0.000 0.537 326 S N -2.111 112.848 115.700 -1.235 0.000 2.744 326 S HA 0.251 4.721 4.470 -0.000 0.000 0.265 326 S C 0.197 173.646 174.600 -1.919 0.000 1.065 326 S CA -0.385 56.831 58.200 -1.641 0.000 1.191 326 S CB 0.624 63.157 63.200 -1.111 0.000 1.150 326 S HN 0.470 nan 8.310 nan 0.000 0.646 327 H N -1.417 116.919 119.070 -1.223 0.000 2.985 327 H HA 0.591 5.147 4.556 -0.000 0.000 0.360 327 H C -1.489 173.706 175.328 -0.222 0.000 1.221 327 H CA -0.938 54.747 56.048 -0.606 0.000 1.121 327 H CB 0.947 30.511 29.762 -0.331 0.000 1.854 327 H HN 0.280 nan 8.280 nan 0.000 0.551 328 W N 0.925 122.387 121.300 0.271 0.000 2.332 328 W HA 0.318 4.978 4.660 -0.000 0.000 0.351 328 W C 0.526 177.171 176.519 0.210 0.000 1.195 328 W CA -0.778 56.758 57.345 0.317 0.000 1.334 328 W CB 0.724 30.418 29.460 0.389 0.000 1.206 328 W HN 0.323 nan 8.180 nan 0.000 0.637 329 M N 3.159 123.123 119.600 0.607 0.000 3.168 329 M HA 0.134 4.614 4.480 -0.000 0.000 0.202 329 M C -1.132 175.428 176.300 0.435 0.000 1.310 329 M CA 0.424 55.961 55.300 0.395 0.000 1.302 329 M CB -0.993 31.800 32.600 0.321 0.000 1.484 329 M HN 0.308 nan 8.290 nan 0.000 0.434 330 F N -3.976 116.115 119.950 0.236 0.000 2.668 330 F HA 0.396 4.923 4.527 -0.000 0.000 0.309 330 F C -0.404 175.470 175.800 0.123 0.000 1.117 330 F CA -1.348 56.772 58.000 0.200 0.000 0.951 330 F CB 0.749 39.959 39.000 0.349 0.000 1.323 330 F HN -0.104 nan 8.300 nan 0.000 0.451 331 H N 3.129 122.187 119.070 -0.020 0.000 3.330 331 H HA 0.120 4.676 4.556 -0.000 0.000 0.260 331 H C 0.759 175.941 175.328 -0.243 0.000 1.439 331 H CA 0.888 56.794 56.048 -0.238 0.000 1.540 331 H CB 0.693 30.282 29.762 -0.289 0.000 1.698 331 H HN 0.874 nan 8.280 nan 0.000 0.516 332 Q N 2.273 121.820 119.800 -0.422 0.000 2.077 332 Q HA -0.241 4.099 4.340 -0.000 0.000 0.206 332 Q C 2.193 178.217 176.000 0.040 0.000 0.989 332 Q CA 1.734 57.393 55.803 -0.240 0.000 0.853 332 Q CB 0.099 28.683 28.738 -0.257 0.000 0.907 332 Q HN 0.694 nan 8.270 nan 0.000 0.418 333 Q N 0.079 119.897 119.800 0.030 0.000 2.030 333 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 333 Q C 2.056 178.073 176.000 0.028 0.000 0.986 333 Q CA 1.613 57.449 55.803 0.054 0.000 0.843 333 Q CB -0.196 28.584 28.738 0.069 0.000 0.904 333 Q HN 0.420 nan 8.270 nan 0.000 0.420 334 A N 0.635 123.429 122.820 -0.044 0.000 1.933 334 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 334 A C 1.980 179.571 177.584 0.012 0.000 1.175 334 A CA 1.300 53.199 52.037 -0.229 0.000 0.628 334 A CB -0.675 17.929 19.000 -0.661 0.000 0.814 334 A HN 0.473 nan 8.150 nan 0.000 0.444 335 L N -0.167 121.141 121.223 0.142 0.000 1.994 335 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 335 L C 2.560 179.573 176.870 0.239 0.000 1.071 335 L CA 2.387 57.379 54.840 0.254 0.000 0.745 335 L CB -0.792 41.542 42.059 0.459 0.000 0.892 335 L HN 0.501 nan 8.230 nan 0.000 0.431 336 Q N -0.574 119.338 119.800 0.187 0.000 2.112 336 Q HA -0.275 4.065 4.340 -0.000 0.000 0.206 336 Q C 2.078 178.133 176.000 0.093 0.000 0.987 336 Q CA 2.218 58.096 55.803 0.125 0.000 0.858 336 Q CB -0.266 28.521 28.738 0.082 0.000 0.905 336 Q HN 0.654 nan 8.270 nan 0.000 0.420 337 E N -0.126 120.117 120.200 0.071 0.000 2.038 337 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 337 E C 1.791 178.460 176.600 0.116 0.000 1.000 337 E CA 1.272 57.696 56.400 0.040 0.000 0.803 337 E CB -0.293 29.381 29.700 -0.043 0.000 0.750 337 E HN 0.343 nan 8.360 nan 0.000 0.448 338 Y N 1.883 122.223 120.300 0.067 0.000 2.053 338 Y HA -0.296 4.254 4.550 -0.000 0.000 0.277 338 Y C 2.017 177.970 175.900 0.089 0.000 1.159 338 Y CA 1.675 59.843 58.100 0.114 0.000 1.125 338 Y CB -0.393 38.123 38.460 0.092 0.000 0.969 338 Y HN -0.036 nan 8.280 nan 0.000 0.492 339 I N -0.215 120.385 120.570 0.050 0.000 2.053 339 I HA -0.418 3.752 4.170 -0.000 0.000 0.236 339 I C 2.503 178.565 176.117 -0.092 0.000 1.038 339 I CA 2.083 63.359 61.300 -0.041 0.000 1.304 339 I CB -0.929 37.115 38.000 0.073 0.000 1.023 339 I HN 0.290 nan 8.210 nan 0.000 0.395 340 L N -0.282 120.933 121.223 -0.014 0.000 2.013 340 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 340 L C 2.716 179.583 176.870 -0.005 0.000 1.073 340 L CA 1.732 56.573 54.840 0.001 0.000 0.753 340 L CB -0.450 41.620 42.059 0.018 0.000 0.890 340 L HN 0.323 nan 8.230 nan 0.000 0.432 341 M N -1.766 117.838 119.600 0.006 0.000 2.288 341 M HA -0.127 4.353 4.480 -0.000 0.000 0.266 341 M C 1.745 178.016 176.300 -0.047 0.000 1.072 341 M CA 1.100 56.434 55.300 0.058 0.000 1.132 341 M CB -0.078 32.645 32.600 0.205 0.000 1.386 341 M HN 0.439 nan 8.290 nan 0.000 0.432 342 C N -2.323 116.844 119.300 -0.222 0.000 3.580 342 C HA 0.202 4.662 4.460 -0.000 0.000 0.337 342 C C 1.744 176.530 174.990 -0.339 0.000 1.412 342 C CA -0.747 58.081 59.018 -0.318 0.000 1.797 342 C CB -0.683 26.775 27.740 -0.470 0.000 2.470 342 C HN 0.551 nan 8.230 nan 0.000 0.691 343 C N 1.111 120.212 119.300 -0.332 0.000 2.974 343 C HA 0.211 4.671 4.460 -0.000 0.000 0.282 343 C C 0.664 175.560 174.990 -0.157 0.000 1.292 343 C CA -0.117 58.752 59.018 -0.249 0.000 1.710 343 C CB -1.701 25.896 27.740 -0.239 0.000 2.036 343 C HN 0.607 nan 8.230 nan 0.000 0.629 344 Q N 0.329 120.067 119.800 -0.103 0.000 2.256 344 Q HA 0.383 4.723 4.340 -0.000 0.000 0.257 344 Q C -0.539 175.440 176.000 -0.036 0.000 0.936 344 Q CA -0.092 55.700 55.803 -0.019 0.000 0.903 344 Q CB 1.996 30.776 28.738 0.069 0.000 1.263 344 Q HN 0.489 nan 8.270 nan 0.000 0.440 345 C N 3.955 123.239 119.300 -0.026 0.000 2.388 345 C HA 0.370 4.830 4.460 -0.000 0.000 0.362 345 C C -1.371 173.591 174.990 -0.046 0.000 1.266 345 C CA -1.913 57.057 59.018 -0.079 0.000 2.028 345 C CB 0.275 27.914 27.740 -0.168 0.000 2.440 345 C HN 0.727 nan 8.230 nan 0.000 0.547 346 P HA -0.052 nan 4.420 nan 0.000 0.215 346 P C 1.253 178.507 177.300 -0.077 0.000 1.157 346 P CA 2.192 65.254 63.100 -0.064 0.000 0.868 346 P CB 0.016 31.680 31.700 -0.060 0.000 0.788 347 A N -1.189 121.578 122.820 -0.087 0.000 2.248 347 A HA 0.390 4.709 4.320 -0.000 0.000 0.210 347 A C 1.090 178.620 177.584 -0.090 0.000 1.174 347 A CA 1.108 53.093 52.037 -0.086 0.000 0.750 347 A CB -1.266 17.682 19.000 -0.086 0.000 0.780 347 A HN 0.364 nan 8.150 nan 0.000 0.478 348 G N -3.347 105.399 108.800 -0.090 0.000 2.497 348 G HA2 0.519 4.479 3.960 -0.000 0.000 0.686 348 G HA3 0.519 4.479 3.960 -0.000 0.000 0.686 348 G C 0.465 175.271 174.900 -0.157 0.000 1.288 348 G CA -0.152 44.964 45.100 0.026 0.000 0.899 348 G HN 2.397 nan 8.290 nan 0.000 0.608 349 G N -1.650 107.228 108.800 0.130 0.000 2.819 349 G HA2 0.275 4.235 3.960 -0.000 0.000 0.682 349 G HA3 0.275 4.235 3.960 -0.000 0.000 0.682 349 G C -0.296 174.439 174.900 -0.276 0.000 1.481 349 G CA 0.259 45.208 45.100 -0.251 0.000 0.904 349 G HN 1.592 nan 8.290 nan 0.000 0.563 350 L N -0.067 121.000 121.223 -0.261 0.000 2.271 350 L HA 0.954 5.294 4.340 -0.000 0.000 0.265 350 L C 0.441 177.208 176.870 -0.172 0.000 1.013 350 L CA -1.095 53.613 54.840 -0.220 0.000 0.820 350 L CB 1.831 43.750 42.059 -0.233 0.000 1.352 350 L HN 0.992 nan 8.230 nan 0.000 0.443 351 L N -3.374 117.731 121.223 -0.197 0.000 2.510 351 L HA 0.650 4.990 4.340 -0.000 0.000 0.252 351 L C 0.228 176.822 176.870 -0.461 0.000 1.091 351 L CA -0.661 53.975 54.840 -0.340 0.000 0.888 351 L CB 0.427 42.317 42.059 -0.282 0.000 1.507 351 L HN 0.423 nan 8.230 nan 0.000 0.407 352 D N 0.116 120.021 120.400 -0.824 0.000 2.081 352 D HA -0.065 4.575 4.640 -0.000 0.000 0.194 352 D C 0.073 176.322 176.300 -0.084 0.000 0.986 352 D CA 2.439 56.151 54.000 -0.480 0.000 0.837 352 D CB 0.317 40.887 40.800 -0.384 0.000 0.985 352 D HN 0.738 nan 8.370 nan 0.000 0.448 353 K N -2.222 118.120 120.400 -0.097 0.000 2.571 353 K HA 0.521 4.841 4.320 -0.000 0.000 0.289 353 K C -3.000 173.552 176.600 -0.079 0.000 1.028 353 K CA -1.682 54.593 56.287 -0.019 0.000 0.895 353 K CB 1.223 33.791 32.500 0.113 0.000 1.534 353 K HN -0.289 nan 8.250 nan 0.000 0.421 354 P HA 0.057 nan 4.420 nan 0.000 0.263 354 P C 0.376 177.643 177.300 -0.055 0.000 1.195 354 P CA 1.587 64.638 63.100 -0.083 0.000 0.762 354 P CB 0.612 32.260 31.700 -0.086 0.000 0.799 355 G N 1.844 110.608 108.800 -0.060 0.000 2.238 355 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 355 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 355 G C 0.106 174.978 174.900 -0.047 0.000 0.996 355 G CA -0.345 44.729 45.100 -0.044 0.000 0.632 355 G HN 0.447 nan 8.290 nan 0.000 0.503 356 K N 1.434 121.794 120.400 -0.067 0.000 2.118 356 K HA 0.683 5.003 4.320 -0.000 0.000 0.254 356 K C 0.634 177.175 176.600 -0.098 0.000 0.961 356 K CA 0.098 56.338 56.287 -0.078 0.000 0.876 356 K CB 1.549 33.987 32.500 -0.103 0.000 1.077 356 K HN 0.549 nan 8.250 nan 0.000 0.440 357 S N 0.990 116.641 115.700 -0.081 0.000 2.610 357 S HA 0.387 4.857 4.470 -0.000 0.000 0.273 357 S C 0.278 174.816 174.600 -0.102 0.000 1.274 357 S CA -0.935 57.216 58.200 -0.082 0.000 1.023 357 S CB 1.015 64.188 63.200 -0.045 0.000 0.962 357 S HN 0.564 nan 8.310 nan 0.000 0.523 358 R N 0.458 120.879 120.500 -0.131 0.000 2.738 358 R HA 0.514 4.854 4.340 -0.000 0.000 0.268 358 R C -1.085 175.190 176.300 -0.041 0.000 1.062 358 R CA -0.351 55.654 56.100 -0.158 0.000 1.158 358 R CB -0.339 29.762 30.300 -0.331 0.000 1.046 358 R HN 0.861 nan 8.270 nan 0.000 0.493 359 D N -0.317 120.086 120.400 0.005 0.000 2.685 359 D HA 0.096 4.736 4.640 -0.000 0.000 0.236 359 D C -0.392 175.894 176.300 -0.024 0.000 1.233 359 D CA -0.805 53.254 54.000 0.098 0.000 0.760 359 D CB 0.099 41.033 40.800 0.223 0.000 1.410 359 D HN 0.366 nan 8.370 nan 0.000 0.439 360 F N -0.214 119.886 119.950 0.249 0.000 2.202 360 F HA -0.109 4.418 4.527 -0.000 0.000 0.301 360 F C 2.030 177.664 175.800 -0.278 0.000 1.082 360 F CA 0.966 58.997 58.000 0.051 0.000 1.313 360 F CB -0.518 38.567 39.000 0.142 0.000 1.024 360 F HN 0.523 nan 8.300 nan 0.000 0.495 361 Y N 0.477 120.392 120.300 -0.641 0.000 2.097 361 Y HA -0.294 4.255 4.550 -0.000 0.000 0.282 361 Y C 2.510 178.031 175.900 -0.633 0.000 1.152 361 Y CA 2.052 59.318 58.100 -1.390 0.000 1.136 361 Y CB -1.039 36.671 38.460 -1.250 0.000 0.975 361 Y HN 0.077 nan 8.280 nan 0.000 0.498 362 H N -1.022 117.817 119.070 -0.385 0.000 2.389 362 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 362 H C 2.192 177.326 175.328 -0.325 0.000 1.081 362 H CA 2.049 57.877 56.048 -0.366 0.000 1.345 362 H CB -0.269 29.392 29.762 -0.167 0.000 1.393 362 H HN 0.320 nan 8.280 nan 0.000 0.520 363 T N -0.262 114.210 114.554 -0.136 0.000 2.652 363 T HA -0.293 4.057 4.350 -0.000 0.000 0.267 363 T C 2.353 176.901 174.700 -0.255 0.000 1.039 363 T CA 1.375 63.376 62.100 -0.165 0.000 1.153 363 T CB -0.843 67.987 68.868 -0.063 0.000 0.863 363 T HN 0.562 nan 8.240 nan 0.000 0.428 364 C N 0.660 119.756 119.300 -0.341 0.000 2.388 364 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 364 C C 2.414 177.002 174.990 -0.670 0.000 1.210 364 C CA 0.785 59.503 59.018 -0.500 0.000 1.743 364 C CB -1.532 25.852 27.740 -0.594 0.000 2.047 364 C HN 0.652 nan 8.230 nan 0.000 0.458 365 Y N -0.095 119.907 120.300 -0.496 0.000 2.314 365 Y HA -0.049 4.501 4.550 -0.000 0.000 0.293 365 Y C 2.920 178.628 175.900 -0.320 0.000 1.129 365 Y CA 1.455 59.226 58.100 -0.549 0.000 1.201 365 Y CB -0.780 37.154 38.460 -0.878 0.000 0.999 365 Y HN 0.403 nan 8.280 nan 0.000 0.541 366 C N 0.072 119.284 119.300 -0.146 0.000 2.413 366 C HA -0.186 4.274 4.460 -0.000 0.000 0.276 366 C C 2.711 177.665 174.990 -0.059 0.000 1.248 366 C CA 1.021 60.007 59.018 -0.054 0.000 1.742 366 C CB -1.296 26.408 27.740 -0.061 0.000 2.017 366 C HN 0.519 nan 8.230 nan 0.000 0.481 367 L N 0.482 121.624 121.223 -0.134 0.000 1.994 367 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 367 L C 2.686 179.509 176.870 -0.079 0.000 1.071 367 L CA 1.764 56.532 54.840 -0.121 0.000 0.745 367 L CB -0.868 41.077 42.059 -0.190 0.000 0.892 367 L HN 0.280 nan 8.230 nan 0.000 0.431 368 S N 0.194 115.820 115.700 -0.124 0.000 2.365 368 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 368 S C 2.031 176.744 174.600 0.188 0.000 1.039 368 S CA 1.430 59.636 58.200 0.009 0.000 1.033 368 S CB -0.956 62.141 63.200 -0.171 0.000 0.887 368 S HN 0.638 nan 8.310 nan 0.000 0.447 369 G N 1.720 110.622 108.800 0.171 0.000 2.446 369 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 369 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 369 G C 1.380 176.365 174.900 0.142 0.000 1.168 369 G CA 1.042 46.241 45.100 0.165 0.000 0.771 369 G HN 0.394 nan 8.290 nan 0.000 0.551 370 L N 1.209 122.493 121.223 0.102 0.000 1.990 370 L HA -0.115 4.225 4.340 -0.000 0.000 0.213 370 L C 3.004 179.900 176.870 0.044 0.000 1.072 370 L CA 2.670 57.560 54.840 0.083 0.000 0.755 370 L CB -0.961 41.120 42.059 0.037 0.000 0.889 370 L HN 0.276 nan 8.230 nan 0.000 0.432 371 S N -0.773 114.941 115.700 0.024 0.000 2.365 371 S HA -0.211 4.259 4.470 -0.000 0.000 0.225 371 S C 2.093 176.694 174.600 0.002 0.000 1.039 371 S CA 1.646 59.827 58.200 -0.031 0.000 1.033 371 S CB -0.411 62.852 63.200 0.105 0.000 0.887 371 S HN 0.403 nan 8.310 nan 0.000 0.447 372 I N 2.219 122.876 120.570 0.145 0.000 2.118 372 I HA -0.190 3.980 4.170 -0.000 0.000 0.241 372 I C 2.891 179.206 176.117 0.330 0.000 1.070 372 I CA 1.659 63.073 61.300 0.189 0.000 1.327 372 I CB -1.927 36.119 38.000 0.077 0.000 1.034 372 I HN 0.447 nan 8.210 nan 0.000 0.405 373 A N -0.126 122.903 122.820 0.348 0.000 2.019 373 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 373 A C 2.156 179.884 177.584 0.240 0.000 1.164 373 A CA 1.385 53.698 52.037 0.461 0.000 0.644 373 A CB -0.491 18.769 19.000 0.434 0.000 0.805 373 A HN 0.612 nan 8.150 nan 0.000 0.449 374 Q N -1.154 118.664 119.800 0.030 0.000 2.376 374 Q HA 0.032 4.372 4.340 -0.000 0.000 0.206 374 Q C -0.333 175.643 176.000 -0.040 0.000 0.921 374 Q CA 0.391 56.117 55.803 -0.129 0.000 0.911 374 Q CB 0.250 28.740 28.738 -0.413 0.000 1.032 374 Q HN 0.691 nan 8.270 nan 0.000 0.510 375 H N -0.311 118.925 119.070 0.277 0.000 2.595 375 H HA 0.233 4.789 4.556 -0.000 0.000 0.313 375 H C -1.522 174.057 175.328 0.420 0.000 1.023 375 H CA -0.999 55.208 56.048 0.265 0.000 1.218 375 H CB 0.130 30.018 29.762 0.211 0.000 1.403 375 H HN 0.041 nan 8.280 nan 0.000 0.477 376 F N 2.348 122.370 119.950 0.119 0.000 2.420 376 F HA 0.610 5.137 4.527 -0.000 0.000 0.342 376 F C -0.051 175.627 175.800 -0.203 0.000 1.113 376 F CA -0.392 57.393 58.000 -0.359 0.000 1.059 376 F CB 1.513 40.087 39.000 -0.709 0.000 1.128 376 F HN 0.563 nan 8.300 nan 0.000 0.475 377 G N 2.981 111.108 108.800 -1.122 0.000 2.608 377 G HA2 0.418 4.378 3.960 -0.000 0.000 0.285 377 G HA3 0.418 4.378 3.960 -0.000 0.000 0.285 377 G C -1.825 172.641 174.900 -0.723 0.000 1.407 377 G CA -0.682 44.040 45.100 -0.631 0.000 1.276 377 G HN 0.714 nan 8.290 nan 0.000 0.587 378 S N 2.021 117.360 115.700 -0.602 0.000 2.279 378 S HA 0.624 5.094 4.470 -0.000 0.000 0.176 378 S C 1.056 175.554 174.600 -0.169 0.000 1.554 378 S CA 0.989 58.955 58.200 -0.390 0.000 1.242 378 S CB -0.347 62.614 63.200 -0.398 0.000 1.163 378 S HN 2.479 nan 8.310 nan 0.000 0.449 379 G N 3.613 112.351 108.800 -0.103 0.000 2.536 379 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.277 379 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.277 379 G C 1.099 175.992 174.900 -0.011 0.000 1.155 379 G CA 0.113 45.198 45.100 -0.025 0.000 0.960 379 G HN 1.561 nan 8.290 nan 0.000 0.544 380 A N -0.090 122.738 122.820 0.014 0.000 1.970 380 A HA 0.403 4.723 4.320 -0.000 0.000 0.216 380 A C 1.648 179.247 177.584 0.025 0.000 1.170 380 A CA 1.924 53.973 52.037 0.020 0.000 0.645 380 A CB -0.352 18.666 19.000 0.029 0.000 0.816 380 A HN 0.745 nan 8.150 nan 0.000 0.447 381 M N 0.545 120.170 119.600 0.042 0.000 2.238 381 M HA 0.392 4.872 4.480 -0.000 0.000 0.350 381 M C -0.884 175.485 176.300 0.116 0.000 1.321 381 M CA 0.817 56.171 55.300 0.091 0.000 1.097 381 M CB -0.283 32.415 32.600 0.163 0.000 1.713 381 M HN 0.158 nan 8.290 nan 0.000 0.455 382 L N 3.279 124.583 121.223 0.135 0.000 2.505 382 L HA 0.431 4.771 4.340 -0.000 0.000 0.266 382 L C -1.134 175.855 176.870 0.198 0.000 0.954 382 L CA -0.545 54.386 54.840 0.152 0.000 0.852 382 L CB 2.204 44.296 42.059 0.054 0.000 1.282 382 L HN 0.750 nan 8.230 nan 0.000 0.403 383 H N 1.440 120.582 119.070 0.120 0.000 3.017 383 H HA 0.478 5.034 4.556 -0.000 0.000 0.340 383 H C -1.635 173.702 175.328 0.017 0.000 1.014 383 H CA -0.454 55.571 56.048 -0.039 0.000 1.341 383 H CB 1.571 31.157 29.762 -0.293 0.000 1.739 383 H HN 0.466 nan 8.280 nan 0.000 0.506 384 D N 2.833 122.959 120.400 -0.456 0.000 2.326 384 D HA 0.509 5.148 4.640 -0.000 0.000 0.251 384 D C -0.512 175.506 176.300 -0.469 0.000 1.023 384 D CA -0.491 53.347 54.000 -0.269 0.000 0.966 384 D CB 2.194 42.984 40.800 -0.017 0.000 1.156 384 D HN 0.240 nan 8.370 nan 0.000 0.494 385 V N 1.126 120.928 119.914 -0.186 0.000 2.559 385 V HA 0.217 4.337 4.120 -0.000 0.000 0.289 385 V C -0.742 175.323 176.094 -0.049 0.000 1.036 385 V CA -0.707 61.526 62.300 -0.112 0.000 0.887 385 V CB 1.936 33.738 31.823 -0.035 0.000 1.022 385 V HN 0.283 nan 8.190 nan 0.000 0.442 386 V N 5.748 125.640 119.914 -0.037 0.000 2.284 386 V HA 0.410 4.530 4.120 -0.000 0.000 0.274 386 V C 0.362 176.446 176.094 -0.017 0.000 1.023 386 V CA -0.457 61.831 62.300 -0.019 0.000 0.808 386 V CB 1.332 33.151 31.823 -0.006 0.000 1.035 386 V HN 0.726 nan 8.190 nan 0.000 0.445 387 M N 2.564 122.156 119.600 -0.013 0.000 2.232 387 M HA 0.401 4.881 4.480 -0.000 0.000 0.321 387 M C 1.239 177.525 176.300 -0.023 0.000 1.101 387 M CA 1.297 56.585 55.300 -0.020 0.000 1.181 387 M CB 0.242 32.834 32.600 -0.014 0.000 1.432 387 M HN 0.883 nan 8.290 nan 0.000 0.457 388 G N 0.747 109.524 108.800 -0.038 0.000 2.601 388 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.252 388 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.252 388 G C -0.225 174.657 174.900 -0.031 0.000 1.294 388 G CA -0.166 44.910 45.100 -0.041 0.000 0.912 388 G HN 1.239 nan 8.290 nan 0.000 0.574 389 V N -0.911 118.988 119.914 -0.026 0.000 2.655 389 V HA 0.461 4.580 4.120 -0.000 0.000 0.300 389 V C 0.027 176.114 176.094 -0.011 0.000 1.044 389 V CA 0.075 62.363 62.300 -0.020 0.000 1.095 389 V CB 1.058 32.870 31.823 -0.019 0.000 0.952 389 V HN 0.817 nan 8.190 nan 0.000 0.485 390 P HA -0.126 nan 4.420 nan 0.000 0.223 390 P C 0.911 178.213 177.300 0.004 0.000 1.144 390 P CA 1.212 64.311 63.100 -0.002 0.000 0.783 390 P CB 0.349 32.047 31.700 -0.004 0.000 0.771 391 E N -0.237 119.962 120.200 -0.001 0.000 2.418 391 E HA -0.077 4.273 4.350 -0.000 0.000 0.197 391 E C 1.709 178.314 176.600 0.009 0.000 1.026 391 E CA 0.428 56.828 56.400 0.000 0.000 0.862 391 E CB -0.792 28.903 29.700 -0.008 0.000 0.799 391 E HN 0.251 nan 8.360 nan 0.000 0.518 392 N N 0.237 118.943 118.700 0.010 0.000 2.381 392 N HA -0.086 4.654 4.740 -0.000 0.000 0.182 392 N C 0.482 176.008 175.510 0.027 0.000 1.025 392 N CA 0.228 53.288 53.050 0.018 0.000 0.888 392 N CB -0.207 38.287 38.487 0.011 0.000 0.965 392 N HN 0.101 nan 8.380 nan 0.000 0.438 393 V N 1.962 121.897 119.914 0.036 0.000 2.720 393 V HA -0.064 4.056 4.120 -0.000 0.000 0.307 393 V C 0.190 176.339 176.094 0.092 0.000 1.071 393 V CA 0.317 62.660 62.300 0.072 0.000 1.199 393 V CB -0.030 31.855 31.823 0.104 0.000 0.900 393 V HN 0.037 nan 8.190 nan 0.000 0.494 394 L N 5.290 126.596 121.223 0.138 0.000 2.298 394 L HA 0.558 4.898 4.340 -0.000 0.000 0.268 394 L C -0.126 176.907 176.870 0.271 0.000 1.010 394 L CA -1.100 53.828 54.840 0.146 0.000 0.812 394 L CB 1.524 43.632 42.059 0.081 0.000 1.331 394 L HN 0.487 nan 8.230 nan 0.000 0.450 395 Q N 1.975 121.865 119.800 0.150 0.000 2.340 395 Q HA 0.267 4.607 4.340 -0.000 0.000 0.249 395 Q C -2.253 173.867 176.000 0.200 0.000 0.957 395 Q CA -1.679 54.195 55.803 0.119 0.000 0.882 395 Q CB 0.680 29.452 28.738 0.057 0.000 1.235 395 Q HN 0.235 nan 8.270 nan 0.000 0.439 396 P HA 0.056 nan 4.420 nan 0.000 0.274 396 P C -0.484 176.963 177.300 0.244 0.000 1.231 396 P CA -0.134 63.115 63.100 0.249 0.000 0.790 396 P CB 0.957 32.681 31.700 0.039 0.000 0.951 397 T N 0.378 115.111 114.554 0.299 0.000 2.876 397 T HA 0.184 4.534 4.350 -0.000 0.000 0.289 397 T C -0.651 174.257 174.700 0.347 0.000 1.014 397 T CA -0.549 61.759 62.100 0.347 0.000 0.986 397 T CB 0.358 69.472 68.868 0.411 0.000 1.021 397 T HN 0.399 nan 8.240 nan 0.000 0.458 398 H N 6.067 125.321 119.070 0.307 0.000 2.848 398 H HA 0.208 4.764 4.556 -0.000 0.000 0.317 398 H C -1.585 173.974 175.328 0.384 0.000 1.046 398 H CA -1.574 54.664 56.048 0.316 0.000 1.470 398 H CB 1.799 31.768 29.762 0.346 0.000 1.483 398 H HN 0.457 nan 8.280 nan 0.000 0.548 399 P HA -0.123 nan 4.420 nan 0.000 0.225 399 P C 1.250 178.794 177.300 0.406 0.000 1.148 399 P CA 0.503 63.716 63.100 0.188 0.000 0.779 399 P CB 0.664 32.304 31.700 -0.101 0.000 0.780 400 V N -1.316 118.945 119.914 0.580 0.000 2.341 400 V HA -0.113 4.007 4.120 -0.000 0.000 0.240 400 V C 2.209 178.602 176.094 0.499 0.000 1.035 400 V CA 1.540 64.086 62.300 0.409 0.000 1.033 400 V CB -1.186 30.740 31.823 0.171 0.000 0.678 400 V HN -0.056 nan 8.190 nan 0.000 0.464 401 Y N -0.314 120.393 120.300 0.679 0.000 2.500 401 Y HA 0.269 4.819 4.550 -0.000 0.000 0.270 401 Y C 1.342 177.529 175.900 0.479 0.000 1.134 401 Y CA 0.123 58.528 58.100 0.508 0.000 1.293 401 Y CB -0.259 38.306 38.460 0.176 0.000 1.063 401 Y HN 0.404 nan 8.280 nan 0.000 0.534 402 N N 1.036 120.132 118.700 0.659 0.000 2.738 402 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 402 N C -0.843 174.653 175.510 -0.023 0.000 1.047 402 N CA 0.962 54.230 53.050 0.363 0.000 0.707 402 N CB -1.453 37.099 38.487 0.109 0.000 0.937 402 N HN 0.656 nan 8.380 nan 0.000 0.545 403 I N -4.284 116.412 120.570 0.210 0.000 3.191 403 I HA 0.724 4.894 4.170 -0.000 0.000 0.313 403 I C 0.934 177.225 176.117 0.290 0.000 1.193 403 I CA -1.013 60.377 61.300 0.150 0.000 0.968 403 I CB 1.523 39.591 38.000 0.113 0.000 1.262 403 I HN 0.018 nan 8.210 nan 0.000 0.456 404 G N 2.672 111.624 108.800 0.253 0.000 2.225 404 G HA2 0.240 4.200 3.960 -0.000 0.000 0.245 404 G HA3 0.240 4.200 3.960 -0.000 0.000 0.245 404 G C -1.913 173.103 174.900 0.194 0.000 1.249 404 G CA -0.578 44.648 45.100 0.209 0.000 0.919 404 G HN 0.619 nan 8.290 nan 0.000 0.486 405 P HA -0.181 nan 4.420 nan 0.000 0.217 405 P C 1.705 179.092 177.300 0.144 0.000 1.151 405 P CA 1.630 64.886 63.100 0.260 0.000 0.849 405 P CB 0.186 32.032 31.700 0.244 0.000 0.787 406 D N -0.379 120.086 120.400 0.109 0.000 2.123 406 D HA -0.203 4.437 4.640 -0.000 0.000 0.196 406 D C 1.450 177.786 176.300 0.060 0.000 0.992 406 D CA 1.308 55.352 54.000 0.073 0.000 0.833 406 D CB -0.639 40.196 40.800 0.059 0.000 0.954 406 D HN 0.110 nan 8.370 nan 0.000 0.455 407 K N 0.821 121.259 120.400 0.063 0.000 2.097 407 K HA -0.034 4.286 4.320 -0.000 0.000 0.206 407 K C 2.548 179.161 176.600 0.022 0.000 1.049 407 K CA 0.365 56.685 56.287 0.055 0.000 0.933 407 K CB -0.704 31.830 32.500 0.055 0.000 0.717 407 K HN 0.201 nan 8.250 nan 0.000 0.442 408 V N 2.148 122.039 119.914 -0.038 0.000 2.233 408 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 408 V C 2.439 178.472 176.094 -0.102 0.000 1.050 408 V CA 1.773 63.958 62.300 -0.191 0.000 1.010 408 V CB -0.515 31.117 31.823 -0.319 0.000 0.637 408 V HN 0.174 nan 8.190 nan 0.000 0.444 409 I N -0.329 120.225 120.570 -0.027 0.000 2.151 409 I HA -0.365 3.805 4.170 -0.000 0.000 0.243 409 I C 2.715 178.841 176.117 0.015 0.000 1.080 409 I CA 2.175 63.479 61.300 0.006 0.000 1.339 409 I CB -0.504 37.519 38.000 0.038 0.000 1.039 409 I HN 0.415 nan 8.210 nan 0.000 0.409 410 Q N 0.925 120.748 119.800 0.037 0.000 2.030 410 Q HA -0.265 4.074 4.340 -0.000 0.000 0.204 410 Q C 2.317 178.344 176.000 0.045 0.000 0.986 410 Q CA 2.319 58.159 55.803 0.061 0.000 0.843 410 Q CB -0.137 28.665 28.738 0.106 0.000 0.904 410 Q HN 0.560 nan 8.270 nan 0.000 0.420 411 A N 0.409 123.282 122.820 0.088 0.000 1.841 411 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 411 A C 2.342 179.973 177.584 0.078 0.000 1.199 411 A CA 2.684 54.773 52.037 0.087 0.000 0.621 411 A CB -1.641 17.484 19.000 0.208 0.000 0.835 411 A HN 0.709 nan 8.150 nan 0.000 0.445 412 T N -2.331 112.257 114.554 0.056 0.000 2.624 412 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 412 T C 1.816 176.533 174.700 0.029 0.000 1.041 412 T CA 2.477 64.612 62.100 0.060 0.000 1.159 412 T CB -1.539 67.329 68.868 -0.000 0.000 0.863 412 T HN 0.383 nan 8.240 nan 0.000 0.434 413 T N 1.087 115.634 114.554 -0.011 0.000 2.570 413 T HA -0.238 4.112 4.350 -0.000 0.000 0.266 413 T C 1.714 176.349 174.700 -0.109 0.000 1.071 413 T CA 2.147 64.224 62.100 -0.039 0.000 1.172 413 T CB -0.868 67.986 68.868 -0.023 0.000 0.864 413 T HN 0.813 nan 8.240 nan 0.000 0.421 414 H N 0.309 119.200 119.070 -0.297 0.000 2.353 414 H HA -0.089 4.467 4.556 -0.000 0.000 0.298 414 H C 1.831 176.833 175.328 -0.543 0.000 1.103 414 H CA 1.798 57.540 56.048 -0.510 0.000 1.293 414 H CB -0.625 28.566 29.762 -0.951 0.000 1.372 414 H HN 0.466 nan 8.280 nan 0.000 0.501 415 F N -0.341 119.400 119.950 -0.348 0.000 2.367 415 F HA 0.004 4.531 4.527 -0.000 0.000 0.298 415 F C 2.234 177.895 175.800 -0.231 0.000 1.094 415 F CA 0.346 58.158 58.000 -0.315 0.000 1.409 415 F CB 0.000 38.902 39.000 -0.163 0.000 1.064 415 F HN 0.135 nan 8.300 nan 0.000 0.528 416 L N -0.247 120.954 121.223 -0.038 0.000 2.362 416 L HA -0.206 4.134 4.340 -0.000 0.000 0.219 416 L C 2.051 178.861 176.870 -0.100 0.000 1.134 416 L CA 1.045 55.859 54.840 -0.043 0.000 0.807 416 L CB -0.531 41.511 42.059 -0.029 0.000 0.927 416 L HN 0.250 nan 8.230 nan 0.000 0.447 417 Q N -0.352 119.341 119.800 -0.179 0.000 2.297 417 Q HA -0.046 4.294 4.340 -0.000 0.000 0.204 417 Q C 0.308 176.200 176.000 -0.180 0.000 0.962 417 Q CA 0.672 56.362 55.803 -0.188 0.000 0.879 417 Q CB 0.120 28.704 28.738 -0.257 0.000 0.947 417 Q HN 0.308 nan 8.270 nan 0.000 0.462 418 K N 1.635 121.928 120.400 -0.178 0.000 2.098 418 K HA 0.332 4.652 4.320 -0.000 0.000 0.257 418 K C -2.344 174.190 176.600 -0.110 0.000 0.999 418 K CA -1.879 54.334 56.287 -0.123 0.000 0.924 418 K CB 0.419 32.889 32.500 -0.051 0.000 1.028 418 K HN -0.072 nan 8.250 nan 0.000 0.466 419 P HA 0.185 nan 4.420 nan 0.000 0.293 419 P C -0.316 176.925 177.300 -0.098 0.000 1.291 419 P CA -0.653 62.322 63.100 -0.209 0.000 0.867 419 P CB 1.013 32.432 31.700 -0.467 0.000 1.074 420 V N 4.853 124.727 119.914 -0.067 0.000 2.509 420 V HA -0.012 4.108 4.120 -0.000 0.000 0.297 420 V C -1.800 174.326 176.094 0.054 0.000 1.014 420 V CA -0.633 61.669 62.300 0.003 0.000 1.127 420 V CB -0.828 31.008 31.823 0.022 0.000 0.925 420 V HN 0.581 nan 8.190 nan 0.000 0.480 421 P HA 0.024 nan 4.420 nan 0.000 0.257 421 P C 1.033 178.438 177.300 0.176 0.000 1.153 421 P CA 1.895 65.068 63.100 0.122 0.000 0.762 421 P CB 0.103 31.856 31.700 0.087 0.000 0.743 422 G N 2.137 111.092 108.800 0.258 0.000 2.299 422 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.237 422 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.237 422 G C 0.332 175.479 174.900 0.411 0.000 1.027 422 G CA -0.104 45.133 45.100 0.228 0.000 0.619 422 G HN 0.586 nan 8.290 nan 0.000 0.513 423 F N 0.000 119.963 119.950 0.022 0.000 2.286 423 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 423 F CA 0.000 58.011 58.000 0.019 0.000 1.383 423 F CB 0.000 39.008 39.000 0.014 0.000 1.145 423 F HN 0.000 nan 8.300 nan 0.000 0.574