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 3oe7_1_K DATA FIRST_RESID 21 DATA SEQUENCE VSDEANLNET GRVLAVGDGI ARVFGLNNIQ AEELVEFSSG VKGMALNLEP DATA SEQUENCE GQVGIVLFGS DRLVKEGELV KRTGNIVDVP VGPGLLGRVV DALGNPIDGK DATA SEQUENCE GPIDAAGRSR AQVKAPGILP RRSVHEPVQT GLKAVDALVP IGRGQRELII DATA SEQUENCE GDRQTGKTAV ALDTILNQKR WNNGSDESKK LYCVYVAVGQ KRSTVAQLVQ DATA SEQUENCE TLEQHDAMKY SIIVAATASE AAPLQYLAPF TAASIGEWFR DNGKHALIVY DATA SEQUENCE DDLSKQAVAY RQLSLLLRRP PGREAYPGDV FYLHSRLLER AAKLSEKEGS DATA SEQUENCE GSLTALPVIE TQGGDVSAYI PTNVISITDG QIFLEAELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QVKALKQVAG SLKLFLAQYR EVAAFAQXXX DLDASTKQTL DATA SEQUENCE VRGERLTQLL KQNQYSPLAT EEQVPLIYAG VNGHLDGIEL SRIGEFESSF DATA SEQUENCE LSYLKSNHNE LLTEIREKGE LSKELLASLK SATESFVAT 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 21 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 176.129 176.094 0.058 0.000 1.182 21 V CA 0.000 62.322 62.300 0.037 0.000 1.235 21 V CB 0.000 31.841 31.823 0.029 0.000 1.184 22 S N 1.806 117.546 115.700 0.067 0.000 3.066 22 S HA 0.205 4.675 4.470 -0.000 0.000 0.235 22 S C 0.415 175.101 174.600 0.144 0.000 0.995 22 S CA 0.025 58.287 58.200 0.103 0.000 0.835 22 S CB 0.151 63.394 63.200 0.072 0.000 0.814 22 S HN 0.638 nan 8.310 nan 0.000 0.594 23 D N 2.810 123.270 120.400 0.100 0.000 2.661 23 D HA -0.029 4.611 4.640 -0.000 0.000 0.244 23 D C 0.946 177.296 176.300 0.082 0.000 1.196 23 D CA 0.471 54.530 54.000 0.099 0.000 0.881 23 D CB 0.500 41.333 40.800 0.055 0.000 1.141 23 D HN 0.588 nan 8.370 nan 0.000 0.530 24 E N 2.841 123.112 120.200 0.117 0.000 2.236 24 E HA -0.333 4.016 4.350 -0.000 0.000 0.205 24 E C 1.783 178.326 176.600 -0.095 0.000 1.028 24 E CA 1.537 57.885 56.400 -0.087 0.000 0.827 24 E CB 0.141 29.759 29.700 -0.137 0.000 0.735 24 E HN 0.601 nan 8.360 nan 0.000 0.470 25 A N 0.974 123.776 122.820 -0.029 0.000 1.940 25 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 25 A C 1.808 179.373 177.584 -0.031 0.000 1.176 25 A CA 1.724 53.744 52.037 -0.028 0.000 0.631 25 A CB -0.397 18.600 19.000 -0.006 0.000 0.814 25 A HN 0.294 nan 8.150 nan 0.000 0.446 26 N N -0.502 118.187 118.700 -0.019 0.000 2.422 26 N HA 0.081 4.821 4.740 -0.000 0.000 0.181 26 N C 0.197 175.690 175.510 -0.029 0.000 1.080 26 N CA 0.346 53.387 53.050 -0.016 0.000 0.893 26 N CB 0.010 38.498 38.487 0.002 0.000 0.973 26 N HN 0.418 nan 8.380 nan 0.000 0.456 27 L N 1.864 123.054 121.223 -0.054 0.000 2.719 27 L HA 0.226 4.566 4.340 -0.000 0.000 0.236 27 L C 0.666 177.480 176.870 -0.094 0.000 1.285 27 L CA -0.214 54.583 54.840 -0.072 0.000 1.222 27 L CB -0.036 41.961 42.059 -0.103 0.000 1.493 27 L HN 0.009 nan 8.230 nan 0.000 0.415 28 N N -0.212 118.448 118.700 -0.067 0.000 2.499 28 N HA -0.014 4.725 4.740 -0.000 0.000 0.182 28 N C 1.113 176.589 175.510 -0.057 0.000 1.034 28 N CA 0.544 53.554 53.050 -0.065 0.000 0.882 28 N CB 0.569 39.026 38.487 -0.050 0.000 1.125 28 N HN 0.360 nan 8.380 nan 0.000 0.436 29 E N 0.827 120.999 120.200 -0.046 0.000 2.472 29 E HA 0.068 4.418 4.350 -0.000 0.000 0.196 29 E C 0.463 177.033 176.600 -0.051 0.000 1.033 29 E CA 0.311 56.685 56.400 -0.043 0.000 0.886 29 E CB 0.669 30.349 29.700 -0.033 0.000 0.944 29 E HN 0.430 nan 8.360 nan 0.000 0.492 30 T N -2.885 111.638 114.554 -0.052 0.000 2.804 30 T HA 0.783 5.133 4.350 -0.000 0.000 0.290 30 T C 0.210 174.877 174.700 -0.055 0.000 1.099 30 T CA -0.708 61.361 62.100 -0.053 0.000 1.011 30 T CB 2.414 71.262 68.868 -0.032 0.000 1.291 30 T HN -0.011 nan 8.240 nan 0.000 0.523 31 G N -0.233 108.544 108.800 -0.039 0.000 2.677 31 G HA2 0.634 4.594 3.960 -0.000 0.000 0.291 31 G HA3 0.634 4.594 3.960 -0.000 0.000 0.291 31 G C -1.754 173.179 174.900 0.054 0.000 1.435 31 G CA -0.979 44.118 45.100 -0.005 0.000 0.826 31 G HN 0.639 nan 8.290 nan 0.000 0.491 32 R N 0.202 120.781 120.500 0.132 0.000 2.534 32 R HA 0.486 4.826 4.340 -0.000 0.000 0.301 32 R C -0.534 175.866 176.300 0.167 0.000 0.961 32 R CA -0.685 55.506 56.100 0.151 0.000 0.871 32 R CB 2.039 32.446 30.300 0.178 0.000 1.170 32 R HN 0.345 nan 8.270 nan 0.000 0.446 33 V N 5.484 125.483 119.914 0.141 0.000 2.521 33 V HA 0.021 4.141 4.120 -0.000 0.000 0.286 33 V C 1.712 177.861 176.094 0.092 0.000 1.034 33 V CA 0.319 62.703 62.300 0.140 0.000 1.045 33 V CB 0.793 32.706 31.823 0.151 0.000 0.974 33 V HN 0.688 nan 8.190 nan 0.000 0.480 34 L N 4.178 125.452 121.223 0.086 0.000 2.221 34 L HA 0.465 4.805 4.340 -0.000 0.000 0.202 34 L C 0.899 177.783 176.870 0.024 0.000 1.074 34 L CA 1.176 56.038 54.840 0.037 0.000 0.795 34 L CB 0.003 42.085 42.059 0.039 0.000 0.960 34 L HN 0.779 nan 8.230 nan 0.000 0.458 35 A N -1.028 121.814 122.820 0.036 0.000 2.608 35 A HA 0.645 4.965 4.320 -0.000 0.000 0.292 35 A C -1.800 175.795 177.584 0.019 0.000 1.066 35 A CA -0.388 51.660 52.037 0.019 0.000 0.676 35 A CB 1.846 20.852 19.000 0.010 0.000 1.277 35 A HN -0.207 nan 8.150 nan 0.000 0.413 36 V N 0.209 120.122 119.914 -0.001 0.000 2.808 36 V HA 0.950 5.070 4.120 -0.000 0.000 0.308 36 V C -0.182 175.896 176.094 -0.027 0.000 1.099 36 V CA 0.836 63.124 62.300 -0.021 0.000 0.920 36 V CB 1.890 33.684 31.823 -0.049 0.000 1.014 36 V HN 2.553 nan 8.190 nan 0.000 0.425 37 G N 3.323 112.104 108.800 -0.031 0.000 2.377 37 G HA2 0.491 4.451 3.960 -0.000 0.000 0.297 37 G HA3 0.491 4.451 3.960 -0.000 0.000 0.297 37 G C -0.907 173.976 174.900 -0.029 0.000 1.547 37 G CA 0.147 45.229 45.100 -0.029 0.000 0.833 37 G HN 1.062 nan 8.290 nan 0.000 0.583 38 D N -0.963 119.421 120.400 -0.027 0.000 2.751 38 D HA -0.077 4.563 4.640 -0.000 0.000 0.233 38 D C 1.710 177.993 176.300 -0.028 0.000 1.149 38 D CA 3.133 57.117 54.000 -0.026 0.000 0.682 38 D CB -1.226 39.560 40.800 -0.024 0.000 1.068 38 D HN 2.276 nan 8.370 nan 0.000 0.429 39 G N -1.580 107.199 108.800 -0.034 0.000 2.184 39 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.264 39 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.264 39 G C 0.215 175.085 174.900 -0.050 0.000 0.975 39 G CA 0.417 45.493 45.100 -0.039 0.000 0.642 39 G HN 0.511 nan 8.290 nan 0.000 0.536 40 I N 0.614 121.160 120.570 -0.041 0.000 2.474 40 I HA 0.760 4.930 4.170 -0.000 0.000 0.294 40 I C 0.378 176.482 176.117 -0.022 0.000 1.005 40 I CA -1.078 60.206 61.300 -0.027 0.000 1.113 40 I CB 1.443 39.434 38.000 -0.014 0.000 1.289 40 I HN 0.357 nan 8.210 nan 0.000 0.436 41 A N 6.546 129.371 122.820 0.008 0.000 2.331 41 A HA 0.727 5.047 4.320 -0.000 0.000 0.320 41 A C -0.220 177.417 177.584 0.088 0.000 1.138 41 A CA -0.732 51.334 52.037 0.048 0.000 0.790 41 A CB 0.976 20.027 19.000 0.086 0.000 1.206 41 A HN 0.722 nan 8.150 nan 0.000 0.470 42 R N 1.432 121.980 120.500 0.080 0.000 2.229 42 R HA 0.537 4.877 4.340 -0.000 0.000 0.332 42 R C -1.210 175.161 176.300 0.118 0.000 0.989 42 R CA -0.282 55.869 56.100 0.086 0.000 0.842 42 R CB 1.546 31.883 30.300 0.061 0.000 1.119 42 R HN 0.493 nan 8.270 nan 0.000 0.456 43 V N 4.441 124.433 119.914 0.129 0.000 2.495 43 V HA 0.354 4.474 4.120 -0.000 0.000 0.298 43 V C -0.408 175.794 176.094 0.179 0.000 1.031 43 V CA -0.935 61.454 62.300 0.148 0.000 0.871 43 V CB 1.438 33.325 31.823 0.107 0.000 0.988 43 V HN 0.512 nan 8.190 nan 0.000 0.432 44 F N 3.495 123.460 119.950 0.024 0.000 2.382 44 F HA 0.720 5.247 4.527 -0.000 0.000 0.331 44 F C 1.138 176.942 175.800 0.006 0.000 1.121 44 F CA 1.303 59.312 58.000 0.014 0.000 1.183 44 F CB 1.149 40.157 39.000 0.015 0.000 1.207 44 F HN 0.924 nan 8.300 nan 0.000 0.555 45 G N 3.702 112.098 108.800 -0.673 0.000 2.543 45 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.286 45 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.286 45 G C 0.393 175.160 174.900 -0.221 0.000 1.153 45 G CA -0.102 44.717 45.100 -0.468 0.000 0.968 45 G HN 1.303 nan 8.290 nan 0.000 0.544 46 L N 0.379 121.518 121.223 -0.140 0.000 3.833 46 L HA -0.243 4.097 4.340 -0.000 0.000 0.447 46 L C 1.771 178.586 176.870 -0.093 0.000 1.213 46 L CA 0.605 55.387 54.840 -0.097 0.000 0.801 46 L CB -1.261 40.753 42.059 -0.075 0.000 1.676 46 L HN 0.646 nan 8.230 nan 0.000 0.883 47 N N 0.416 119.051 118.700 -0.109 0.000 2.069 47 N HA -0.139 4.601 4.740 -0.000 0.000 0.191 47 N C 1.237 176.710 175.510 -0.062 0.000 1.031 47 N CA 1.851 54.845 53.050 -0.094 0.000 0.852 47 N CB -0.175 38.251 38.487 -0.101 0.000 1.018 47 N HN 0.570 nan 8.380 nan 0.000 0.423 48 N N 0.907 119.575 118.700 -0.054 0.000 2.521 48 N HA 0.048 4.788 4.740 -0.000 0.000 0.188 48 N C 0.539 176.030 175.510 -0.033 0.000 1.146 48 N CA -0.041 52.986 53.050 -0.039 0.000 0.893 48 N CB 0.203 38.669 38.487 -0.034 0.000 0.975 48 N HN 0.364 nan 8.380 nan 0.000 0.451 49 I N 1.278 121.826 120.570 -0.037 0.000 2.692 49 I HA -0.088 4.082 4.170 -0.000 0.000 0.284 49 I C 0.272 176.379 176.117 -0.018 0.000 1.159 49 I CA -0.169 61.114 61.300 -0.029 0.000 1.423 49 I CB 0.625 38.604 38.000 -0.034 0.000 1.380 49 I HN 0.057 nan 8.210 nan 0.000 0.580 50 Q N 5.192 124.986 119.800 -0.010 0.000 2.260 50 Q HA 0.494 4.834 4.340 -0.000 0.000 0.238 50 Q C -0.194 175.809 176.000 0.006 0.000 0.948 50 Q CA -0.859 54.943 55.803 -0.002 0.000 0.895 50 Q CB 1.179 29.918 28.738 0.002 0.000 1.218 50 Q HN 0.773 nan 8.270 nan 0.000 0.470 51 A N 1.637 124.463 122.820 0.010 0.000 2.440 51 A HA 0.100 4.420 4.320 -0.000 0.000 0.251 51 A C 0.084 177.684 177.584 0.027 0.000 1.089 51 A CA 0.075 52.123 52.037 0.019 0.000 0.779 51 A CB -0.100 18.912 19.000 0.020 0.000 1.022 51 A HN 0.952 nan 8.150 nan 0.000 0.492 52 E N -0.556 119.668 120.200 0.040 0.000 3.413 52 E HA -0.206 4.144 4.350 -0.000 0.000 0.300 52 E C 0.080 176.715 176.600 0.058 0.000 0.891 52 E CA 1.166 57.599 56.400 0.055 0.000 1.050 52 E CB -1.395 28.333 29.700 0.046 0.000 1.534 52 E HN 0.916 nan 8.360 nan 0.000 0.436 53 E N 0.957 121.183 120.200 0.044 0.000 2.338 53 E HA 0.305 4.654 4.350 -0.000 0.000 0.272 53 E C -0.054 176.584 176.600 0.064 0.000 1.029 53 E CA -0.325 56.099 56.400 0.040 0.000 0.872 53 E CB 0.694 30.403 29.700 0.015 0.000 1.015 53 E HN 0.138 nan 8.360 nan 0.000 0.417 54 L N 4.443 125.712 121.223 0.077 0.000 2.461 54 L HA 0.170 4.510 4.340 -0.000 0.000 0.272 54 L C -0.081 176.818 176.870 0.048 0.000 1.197 54 L CA -0.073 54.834 54.840 0.111 0.000 0.836 54 L CB 0.857 42.974 42.059 0.097 0.000 1.105 54 L HN 0.483 nan 8.230 nan 0.000 0.477 55 V N 0.175 120.115 119.914 0.043 0.000 3.130 55 V HA 0.634 4.754 4.120 -0.000 0.000 0.310 55 V C -0.948 175.097 176.094 -0.081 0.000 1.158 55 V CA -0.818 61.432 62.300 -0.084 0.000 1.029 55 V CB 1.985 33.665 31.823 -0.239 0.000 1.057 55 V HN 0.797 nan 8.190 nan 0.000 0.436 56 E N 0.831 120.930 120.200 -0.168 0.000 2.234 56 E HA 0.602 4.952 4.350 -0.000 0.000 0.266 56 E C -1.716 174.769 176.600 -0.191 0.000 0.877 56 E CA -0.649 55.711 56.400 -0.067 0.000 0.758 56 E CB 1.953 31.654 29.700 0.001 0.000 1.170 56 E HN 0.627 nan 8.360 nan 0.000 0.415 57 F N 0.936 120.913 119.950 0.044 0.000 2.403 57 F HA 0.219 4.746 4.527 -0.000 0.000 0.326 57 F C 1.884 177.703 175.800 0.031 0.000 1.099 57 F CA -0.364 57.658 58.000 0.037 0.000 1.036 57 F CB 0.961 39.983 39.000 0.037 0.000 1.336 57 F HN 0.475 nan 8.300 nan 0.000 0.497 58 S N 0.126 115.968 115.700 0.237 0.000 2.359 58 S HA -0.238 4.232 4.470 -0.000 0.000 0.223 58 S C 2.177 176.850 174.600 0.122 0.000 1.039 58 S CA 1.952 60.233 58.200 0.136 0.000 1.042 58 S CB -0.746 62.522 63.200 0.113 0.000 0.915 58 S HN 0.720 nan 8.310 nan 0.000 0.439 59 S N 0.521 116.302 115.700 0.135 0.000 2.465 59 S HA 0.092 4.562 4.470 -0.000 0.000 0.241 59 S C 1.702 176.360 174.600 0.097 0.000 1.000 59 S CA 1.298 59.553 58.200 0.092 0.000 0.964 59 S CB -0.598 62.640 63.200 0.062 0.000 0.763 59 S HN 0.963 nan 8.310 nan 0.000 0.512 60 G N -0.104 108.778 108.800 0.135 0.000 2.238 60 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 60 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 60 G C 0.199 175.187 174.900 0.147 0.000 0.996 60 G CA -0.064 45.106 45.100 0.116 0.000 0.632 60 G HN 0.876 nan 8.290 nan 0.000 0.503 61 V N 1.797 121.817 119.914 0.177 0.000 3.139 61 V HA 0.498 4.618 4.120 -0.000 0.000 0.307 61 V C 0.584 176.887 176.094 0.349 0.000 1.095 61 V CA 0.095 62.515 62.300 0.201 0.000 1.160 61 V CB 1.125 33.016 31.823 0.114 0.000 1.003 61 V HN 0.309 nan 8.190 nan 0.000 0.489 62 K N 2.979 123.585 120.400 0.343 0.000 2.168 62 K HA 0.768 5.088 4.320 -0.000 0.000 0.239 62 K C -0.110 176.827 176.600 0.562 0.000 0.999 62 K CA -0.073 56.469 56.287 0.425 0.000 0.900 62 K CB 1.720 34.423 32.500 0.339 0.000 1.111 62 K HN 0.965 nan 8.250 nan 0.000 0.452 63 G N 0.284 109.388 108.800 0.508 0.000 2.732 63 G HA2 0.413 4.373 3.960 -0.000 0.000 0.296 63 G HA3 0.413 4.373 3.960 -0.000 0.000 0.296 63 G C -1.587 173.412 174.900 0.164 0.000 1.448 63 G CA -0.719 44.541 45.100 0.266 0.000 0.911 63 G HN 0.424 nan 8.290 nan 0.000 0.528 64 M N 2.319 121.877 119.600 -0.069 0.000 2.180 64 M HA 0.635 5.115 4.480 -0.000 0.000 0.350 64 M C 0.473 176.793 176.300 0.033 0.000 1.125 64 M CA -0.792 54.545 55.300 0.062 0.000 1.031 64 M CB 1.334 33.983 32.600 0.081 0.000 1.623 64 M HN 0.690 nan 8.290 nan 0.000 0.451 65 A N 5.375 128.225 122.820 0.051 0.000 2.545 65 A HA 0.197 4.517 4.320 -0.000 0.000 0.297 65 A C 0.404 178.013 177.584 0.041 0.000 1.340 65 A CA -0.335 51.724 52.037 0.036 0.000 1.016 65 A CB -0.314 18.698 19.000 0.021 0.000 1.122 65 A HN 0.999 nan 8.150 nan 0.000 0.537 66 L N 2.645 123.892 121.223 0.040 0.000 2.102 66 L HA 0.151 4.491 4.340 -0.000 0.000 0.202 66 L C 0.727 177.620 176.870 0.039 0.000 1.076 66 L CA 1.882 56.751 54.840 0.048 0.000 0.761 66 L CB -0.217 41.870 42.059 0.047 0.000 0.921 66 L HN 0.861 nan 8.230 nan 0.000 0.444 67 N N -0.468 118.251 118.700 0.032 0.000 2.480 67 N HA 0.452 5.192 4.740 -0.000 0.000 0.289 67 N C -1.642 173.882 175.510 0.023 0.000 1.073 67 N CA -0.606 52.459 53.050 0.027 0.000 0.885 67 N CB 0.858 39.360 38.487 0.024 0.000 1.421 67 N HN 0.100 nan 8.380 nan 0.000 0.503 68 L N 1.256 122.490 121.223 0.017 0.000 2.289 68 L HA 0.580 4.920 4.340 -0.000 0.000 0.285 68 L C 0.147 177.024 176.870 0.012 0.000 1.049 68 L CA -0.741 54.106 54.840 0.011 0.000 0.804 68 L CB 0.750 42.810 42.059 0.003 0.000 1.195 68 L HN 0.726 nan 8.230 nan 0.000 0.428 69 E N 2.977 123.185 120.200 0.014 0.000 2.456 69 E HA 0.548 4.898 4.350 -0.000 0.000 0.276 69 E C -2.864 173.746 176.600 0.016 0.000 0.981 69 E CA -2.406 54.004 56.400 0.016 0.000 0.814 69 E CB 1.348 31.062 29.700 0.022 0.000 1.382 69 E HN 0.266 nan 8.360 nan 0.000 0.459 70 P HA 0.057 nan 4.420 nan 0.000 0.260 70 P C 0.501 177.827 177.300 0.043 0.000 1.207 70 P CA 1.237 64.350 63.100 0.021 0.000 0.780 70 P CB 0.042 31.756 31.700 0.023 0.000 0.789 71 G N 2.556 111.375 108.800 0.033 0.000 2.147 71 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.244 71 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.244 71 G C -0.213 174.782 174.900 0.158 0.000 1.005 71 G CA 0.315 45.470 45.100 0.092 0.000 0.713 71 G HN 0.873 nan 8.290 nan 0.000 0.515 72 Q N -2.674 117.172 119.800 0.078 0.000 2.791 72 Q HA 0.577 4.917 4.340 -0.000 0.000 0.280 72 Q C -1.600 174.428 176.000 0.047 0.000 0.928 72 Q CA -1.159 54.701 55.803 0.096 0.000 0.819 72 Q CB 1.288 30.110 28.738 0.139 0.000 1.552 72 Q HN 0.659 nan 8.270 nan 0.000 0.410 73 V N 0.874 120.817 119.914 0.049 0.000 2.540 73 V HA 0.769 4.889 4.120 -0.000 0.000 0.302 73 V C 0.370 176.496 176.094 0.052 0.000 1.035 73 V CA -0.123 62.199 62.300 0.036 0.000 0.873 73 V CB 1.670 33.504 31.823 0.017 0.000 0.992 73 V HN 0.852 nan 8.190 nan 0.000 0.428 74 G N 4.570 113.396 108.800 0.044 0.000 2.355 74 G HA2 0.643 4.602 3.960 -0.000 0.000 0.276 74 G HA3 0.643 4.602 3.960 -0.000 0.000 0.276 74 G C -0.702 174.227 174.900 0.048 0.000 1.198 74 G CA -0.240 44.887 45.100 0.045 0.000 0.876 74 G HN 0.608 nan 8.290 nan 0.000 0.478 75 I N 2.304 122.914 120.570 0.067 0.000 2.466 75 I HA 0.163 4.333 4.170 -0.000 0.000 0.289 75 I C -0.288 175.846 176.117 0.027 0.000 1.026 75 I CA -0.967 60.379 61.300 0.076 0.000 1.078 75 I CB 2.478 40.583 38.000 0.174 0.000 1.249 75 I HN 0.086 nan 8.210 nan 0.000 0.429 76 V N 7.110 126.994 119.914 -0.051 0.000 2.427 76 V HA 0.209 4.329 4.120 -0.000 0.000 0.268 76 V C 0.398 176.325 176.094 -0.278 0.000 1.046 76 V CA -0.371 61.844 62.300 -0.141 0.000 0.970 76 V CB 0.741 32.474 31.823 -0.149 0.000 1.001 76 V HN 0.455 nan 8.190 nan 0.000 0.476 77 L N 5.135 126.244 121.223 -0.190 0.000 2.380 77 L HA 0.326 4.666 4.340 -0.000 0.000 0.273 77 L C 0.286 177.056 176.870 -0.168 0.000 1.138 77 L CA -0.153 54.585 54.840 -0.171 0.000 0.832 77 L CB 0.358 42.318 42.059 -0.165 0.000 1.124 77 L HN 0.525 nan 8.230 nan 0.000 0.454 78 F N 1.722 121.717 119.950 0.075 0.000 2.798 78 F HA 0.386 4.913 4.527 -0.000 0.000 0.291 78 F C 1.066 176.892 175.800 0.043 0.000 1.174 78 F CA -0.377 57.664 58.000 0.068 0.000 1.392 78 F CB 0.151 39.196 39.000 0.076 0.000 0.966 78 F HN 0.521 nan 8.300 nan 0.000 0.509 79 G N -1.353 107.534 108.800 0.143 0.000 2.561 79 G HA2 0.323 4.283 3.960 -0.000 0.000 0.310 79 G HA3 0.323 4.283 3.960 -0.000 0.000 0.310 79 G C -1.182 173.730 174.900 0.021 0.000 1.292 79 G CA -0.731 44.418 45.100 0.081 0.000 0.811 79 G HN -0.092 nan 8.290 nan 0.000 0.482 80 S N -0.823 114.881 115.700 0.007 0.000 2.572 80 S HA 0.240 4.710 4.470 -0.000 0.000 0.279 80 S C 0.894 175.462 174.600 -0.054 0.000 1.341 80 S CA 0.115 58.306 58.200 -0.014 0.000 1.043 80 S CB 0.609 63.805 63.200 -0.006 0.000 0.887 80 S HN 0.404 nan 8.310 nan 0.000 0.516 81 D N 2.523 122.889 120.400 -0.056 0.000 2.264 81 D HA -0.069 4.571 4.640 -0.000 0.000 0.208 81 D C 1.866 178.120 176.300 -0.077 0.000 0.966 81 D CA 0.664 54.615 54.000 -0.082 0.000 0.864 81 D CB -0.222 40.542 40.800 -0.060 0.000 0.933 81 D HN 0.631 nan 8.370 nan 0.000 0.499 82 R N 0.790 121.260 120.500 -0.050 0.000 2.127 82 R HA -0.100 4.240 4.340 -0.000 0.000 0.238 82 R C 1.850 178.123 176.300 -0.045 0.000 1.134 82 R CA 0.905 56.983 56.100 -0.037 0.000 0.975 82 R CB -0.228 30.060 30.300 -0.020 0.000 0.865 82 R HN 0.208 nan 8.270 nan 0.000 0.447 83 L N 0.396 121.583 121.223 -0.061 0.000 2.465 83 L HA 0.092 4.432 4.340 -0.000 0.000 0.224 83 L C 0.141 176.953 176.870 -0.097 0.000 1.145 83 L CA 0.004 54.808 54.840 -0.060 0.000 0.834 83 L CB 0.160 42.190 42.059 -0.049 0.000 0.944 83 L HN -0.066 nan 8.230 nan 0.000 0.451 84 V N 0.085 119.906 119.914 -0.154 0.000 2.555 84 V HA 0.407 4.527 4.120 -0.000 0.000 0.302 84 V C -0.115 175.930 176.094 -0.082 0.000 1.038 84 V CA -0.796 61.390 62.300 -0.189 0.000 0.887 84 V CB 2.037 33.585 31.823 -0.458 0.000 0.991 84 V HN 0.094 nan 8.190 nan 0.000 0.434 85 K N 1.875 122.264 120.400 -0.018 0.000 2.443 85 K HA 0.440 4.760 4.320 -0.000 0.000 0.251 85 K C -0.685 175.935 176.600 0.033 0.000 0.972 85 K CA -0.857 55.434 56.287 0.006 0.000 0.833 85 K CB 2.895 35.403 32.500 0.013 0.000 1.317 85 K HN 0.804 nan 8.250 nan 0.000 0.441 86 E N 0.405 120.619 120.200 0.024 0.000 2.299 86 E HA 0.123 4.473 4.350 -0.000 0.000 0.272 86 E C 0.395 177.015 176.600 0.034 0.000 1.043 86 E CA 0.795 57.213 56.400 0.030 0.000 0.895 86 E CB 0.154 29.862 29.700 0.013 0.000 1.011 86 E HN 0.798 nan 8.360 nan 0.000 0.432 87 G N 3.995 112.824 108.800 0.049 0.000 2.218 87 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 87 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 87 G C 0.160 175.098 174.900 0.065 0.000 0.994 87 G CA 0.002 45.130 45.100 0.047 0.000 0.637 87 G HN 0.597 nan 8.290 nan 0.000 0.505 88 E N -0.278 119.971 120.200 0.083 0.000 2.410 88 E HA 0.438 4.788 4.350 -0.000 0.000 0.255 88 E C -0.329 176.336 176.600 0.109 0.000 1.194 88 E CA -0.357 56.104 56.400 0.101 0.000 0.955 88 E CB 1.079 30.860 29.700 0.134 0.000 0.988 88 E HN 0.186 nan 8.360 nan 0.000 0.461 89 L N 1.705 122.984 121.223 0.093 0.000 2.309 89 L HA 0.258 4.597 4.340 -0.000 0.000 0.282 89 L C -1.077 175.809 176.870 0.025 0.000 1.036 89 L CA -0.435 54.440 54.840 0.057 0.000 0.806 89 L CB 1.613 43.694 42.059 0.037 0.000 1.220 89 L HN 0.178 nan 8.230 nan 0.000 0.429 90 V N 4.300 124.183 119.914 -0.051 0.000 2.540 90 V HA 0.552 4.672 4.120 -0.000 0.000 0.302 90 V C -0.363 175.623 176.094 -0.181 0.000 1.035 90 V CA -0.973 61.186 62.300 -0.234 0.000 0.873 90 V CB 1.701 33.295 31.823 -0.383 0.000 0.992 90 V HN 0.657 nan 8.190 nan 0.000 0.428 91 K N 3.184 123.466 120.400 -0.197 0.000 2.203 91 K HA 0.643 4.963 4.320 -0.000 0.000 0.251 91 K C -0.185 176.339 176.600 -0.125 0.000 0.944 91 K CA -0.892 55.323 56.287 -0.120 0.000 0.829 91 K CB 2.356 34.811 32.500 -0.075 0.000 1.125 91 K HN 0.557 nan 8.250 nan 0.000 0.430 92 R N 0.106 120.555 120.500 -0.085 0.000 2.893 92 R HA 0.062 4.402 4.340 -0.000 0.000 0.279 92 R C 0.500 176.772 176.300 -0.046 0.000 1.076 92 R CA 0.296 56.358 56.100 -0.064 0.000 1.203 92 R CB 0.239 30.511 30.300 -0.047 0.000 1.137 92 R HN 0.637 nan 8.270 nan 0.000 0.541 93 T N -1.104 113.433 114.554 -0.029 0.000 2.966 93 T HA 0.164 4.514 4.350 -0.000 0.000 0.254 93 T C 1.075 175.769 174.700 -0.010 0.000 0.961 93 T CA 0.344 62.435 62.100 -0.015 0.000 0.915 93 T CB 0.850 69.716 68.868 -0.002 0.000 1.186 93 T HN 0.881 nan 8.240 nan 0.000 0.505 94 G N 2.467 111.260 108.800 -0.011 0.000 2.212 94 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.266 94 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.266 94 G C -0.017 174.882 174.900 -0.002 0.000 0.978 94 G CA -0.067 45.029 45.100 -0.008 0.000 0.632 94 G HN 0.469 nan 8.290 nan 0.000 0.537 95 N N 0.917 119.618 118.700 0.002 0.000 2.419 95 N HA 0.481 5.220 4.740 -0.000 0.000 0.277 95 N C 0.430 175.949 175.510 0.015 0.000 1.006 95 N CA -0.594 52.460 53.050 0.006 0.000 0.923 95 N CB 1.033 39.523 38.487 0.005 0.000 1.140 95 N HN 0.090 nan 8.380 nan 0.000 0.488 96 I N 1.959 122.537 120.570 0.013 0.000 2.683 96 I HA -0.028 4.142 4.170 -0.000 0.000 0.286 96 I C 0.774 176.902 176.117 0.020 0.000 1.175 96 I CA -0.303 61.009 61.300 0.019 0.000 1.429 96 I CB -0.241 37.766 38.000 0.011 0.000 1.371 96 I HN 0.168 nan 8.210 nan 0.000 0.569 97 V N 7.561 127.497 119.914 0.036 0.000 2.703 97 V HA -0.139 3.981 4.120 -0.000 0.000 0.300 97 V C 0.402 176.493 176.094 -0.006 0.000 1.063 97 V CA 0.651 62.968 62.300 0.027 0.000 1.240 97 V CB -0.925 30.933 31.823 0.059 0.000 0.845 97 V HN 0.939 nan 8.190 nan 0.000 0.476 98 D N 4.071 124.460 120.400 -0.019 0.000 2.610 98 D HA 0.730 5.370 4.640 -0.000 0.000 0.271 98 D C -0.683 175.599 176.300 -0.030 0.000 1.174 98 D CA -0.545 53.446 54.000 -0.017 0.000 0.949 98 D CB 2.246 43.043 40.800 -0.006 0.000 1.430 98 D HN 0.485 nan 8.370 nan 0.000 0.467 99 V N -4.715 115.188 119.914 -0.018 0.000 3.078 99 V HA 0.751 4.871 4.120 -0.000 0.000 0.311 99 V C -2.910 173.171 176.094 -0.022 0.000 1.138 99 V CA -2.244 60.041 62.300 -0.024 0.000 1.007 99 V CB 2.026 33.840 31.823 -0.015 0.000 1.045 99 V HN 0.559 nan 8.190 nan 0.000 0.432 100 P HA 0.398 nan 4.420 nan 0.000 0.282 100 P C -0.452 176.806 177.300 -0.070 0.000 1.262 100 P CA 0.019 63.088 63.100 -0.052 0.000 0.773 100 P CB 1.388 33.054 31.700 -0.056 0.000 0.879 101 V N 0.421 120.272 119.914 -0.105 0.000 3.113 101 V HA 1.024 5.144 4.120 -0.000 0.000 0.316 101 V C 0.181 176.004 176.094 -0.452 0.000 1.125 101 V CA -0.309 61.888 62.300 -0.173 0.000 1.026 101 V CB 1.230 33.024 31.823 -0.049 0.000 1.080 101 V HN 0.946 nan 8.190 nan 0.000 0.444 102 G N 1.142 109.445 108.800 -0.827 0.000 2.353 102 G HA2 0.118 4.078 3.960 -0.000 0.000 0.615 102 G HA3 0.118 4.078 3.960 -0.000 0.000 0.615 102 G C -2.502 171.658 174.900 -1.233 0.000 1.280 102 G CA -0.004 44.106 45.100 -1.651 0.000 1.000 102 G HN 0.752 nan 8.290 nan 0.000 0.516 103 P HA 0.085 nan 4.420 nan 0.000 0.225 103 P C 1.684 178.817 177.300 -0.278 0.000 1.156 103 P CA 1.663 64.373 63.100 -0.651 0.000 0.787 103 P CB -0.107 31.289 31.700 -0.507 0.000 0.802 104 G N -0.204 108.425 108.800 -0.286 0.000 2.990 104 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.206 104 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.206 104 G C 0.983 175.825 174.900 -0.097 0.000 1.169 104 G CA 0.082 45.092 45.100 -0.150 0.000 0.819 104 G HN 0.201 nan 8.290 nan 0.000 0.517 105 L N -0.436 120.736 121.223 -0.085 0.000 2.693 105 L HA 0.411 4.751 4.340 -0.000 0.000 0.235 105 L C 0.530 177.416 176.870 0.028 0.000 1.127 105 L CA -0.087 54.737 54.840 -0.027 0.000 0.914 105 L CB 0.268 42.311 42.059 -0.027 0.000 1.193 105 L HN -0.002 nan 8.230 nan 0.000 0.502 106 L N 0.330 121.588 121.223 0.059 0.000 2.455 106 L HA 0.379 4.719 4.340 -0.000 0.000 0.272 106 L C 1.414 178.316 176.870 0.053 0.000 1.174 106 L CA 1.086 55.984 54.840 0.096 0.000 0.869 106 L CB 0.330 42.490 42.059 0.170 0.000 1.130 106 L HN 0.315 nan 8.230 nan 0.000 0.474 107 G N 1.841 110.659 108.800 0.030 0.000 2.176 107 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.253 107 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.253 107 G C 0.494 175.391 174.900 -0.004 0.000 0.979 107 G CA -0.344 44.756 45.100 0.000 0.000 0.641 107 G HN 0.419 nan 8.290 nan 0.000 0.530 108 R N -0.138 120.364 120.500 0.003 0.000 2.598 108 R HA 0.672 5.012 4.340 -0.000 0.000 0.279 108 R C -0.162 176.140 176.300 0.003 0.000 0.984 108 R CA -0.642 55.458 56.100 -0.001 0.000 0.999 108 R CB 1.747 32.045 30.300 -0.003 0.000 1.114 108 R HN 0.199 nan 8.270 nan 0.000 0.493 109 V N 2.781 122.696 119.914 0.002 0.000 2.398 109 V HA 0.425 4.545 4.120 -0.000 0.000 0.286 109 V C 0.287 176.384 176.094 0.007 0.000 1.026 109 V CA -0.780 61.525 62.300 0.009 0.000 0.868 109 V CB 1.548 33.376 31.823 0.009 0.000 0.982 109 V HN 0.605 nan 8.190 nan 0.000 0.443 110 V N 0.976 120.896 119.914 0.010 0.000 3.046 110 V HA 0.812 4.932 4.120 -0.000 0.000 0.316 110 V C -0.301 175.795 176.094 0.003 0.000 1.104 110 V CA -0.828 61.473 62.300 0.001 0.000 1.006 110 V CB 2.031 33.851 31.823 -0.005 0.000 1.058 110 V HN 0.804 nan 8.190 nan 0.000 0.440 111 D N 2.043 122.438 120.400 -0.008 0.000 2.453 111 D HA 0.473 5.113 4.640 -0.000 0.000 0.282 111 D C 1.226 177.508 176.300 -0.030 0.000 1.222 111 D CA 0.148 54.140 54.000 -0.013 0.000 1.079 111 D CB 0.649 41.438 40.800 -0.017 0.000 1.128 111 D HN 0.799 nan 8.370 nan 0.000 0.568 112 A N -1.036 121.754 122.820 -0.051 0.000 2.066 112 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 112 A C 2.144 179.656 177.584 -0.119 0.000 1.157 112 A CA 0.721 52.711 52.037 -0.079 0.000 0.670 112 A CB -0.687 18.253 19.000 -0.100 0.000 0.804 112 A HN 0.483 nan 8.150 nan 0.000 0.453 113 L N -1.536 119.606 121.223 -0.134 0.000 2.667 113 L HA 0.274 4.613 4.340 -0.000 0.000 0.232 113 L C 1.521 178.340 176.870 -0.085 0.000 1.138 113 L CA 0.468 55.218 54.840 -0.149 0.000 0.921 113 L CB 0.147 42.084 42.059 -0.203 0.000 1.180 113 L HN 0.537 nan 8.230 nan 0.000 0.487 114 G N -0.131 108.635 108.800 -0.058 0.000 2.176 114 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.253 114 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.253 114 G C 0.226 175.106 174.900 -0.034 0.000 0.979 114 G CA -0.285 44.792 45.100 -0.039 0.000 0.641 114 G HN 0.399 nan 8.290 nan 0.000 0.530 115 N N 2.126 120.804 118.700 -0.035 0.000 2.492 115 N HA 0.293 5.033 4.740 -0.000 0.000 0.262 115 N C -2.463 173.037 175.510 -0.017 0.000 1.202 115 N CA -0.445 52.591 53.050 -0.024 0.000 0.926 115 N CB 1.170 39.644 38.487 -0.022 0.000 1.078 115 N HN 0.201 nan 8.380 nan 0.000 0.454 116 P HA 0.150 nan 4.420 nan 0.000 0.281 116 P C 0.335 177.633 177.300 -0.004 0.000 1.252 116 P CA -0.078 63.017 63.100 -0.009 0.000 0.778 116 P CB 0.461 32.155 31.700 -0.011 0.000 0.895 117 I N -0.188 120.381 120.570 -0.002 0.000 4.240 117 I HA 0.204 4.374 4.170 -0.000 0.000 0.331 117 I C 0.678 176.797 176.117 0.002 0.000 1.381 117 I CA -0.076 61.225 61.300 0.002 0.000 1.136 117 I CB -0.076 37.928 38.000 0.006 0.000 1.137 117 I HN 0.026 nan 8.210 nan 0.000 0.411 118 D N 1.506 121.906 120.400 -0.001 0.000 2.340 118 D HA 0.132 4.772 4.640 -0.000 0.000 0.220 118 D C 1.702 177.999 176.300 -0.004 0.000 1.039 118 D CA 0.552 54.550 54.000 -0.003 0.000 0.866 118 D CB -0.155 40.642 40.800 -0.005 0.000 0.913 118 D HN 0.437 nan 8.370 nan 0.000 0.523 119 G N 0.814 109.612 108.800 -0.003 0.000 2.198 119 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.260 119 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.260 119 G C 0.414 175.311 174.900 -0.005 0.000 1.025 119 G CA 0.303 45.401 45.100 -0.003 0.000 0.769 119 G HN 0.472 nan 8.290 nan 0.000 0.507 120 K N 0.442 120.839 120.400 -0.006 0.000 2.811 120 K HA 0.473 4.793 4.320 -0.000 0.000 0.217 120 K C 1.405 178.000 176.600 -0.008 0.000 1.115 120 K CA 0.152 56.435 56.287 -0.007 0.000 1.179 120 K CB 0.286 32.782 32.500 -0.008 0.000 0.994 120 K HN 1.335 nan 8.250 nan 0.000 0.464 121 G N 2.333 111.129 108.800 -0.007 0.000 2.642 121 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.231 121 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.231 121 G C -2.698 172.196 174.900 -0.011 0.000 1.338 121 G CA -1.143 43.952 45.100 -0.008 0.000 0.883 121 G HN 0.164 nan 8.290 nan 0.000 0.570 122 P HA 0.498 nan 4.420 nan 0.000 0.275 122 P C 0.266 177.553 177.300 -0.022 0.000 1.228 122 P CA -0.631 62.459 63.100 -0.016 0.000 0.786 122 P CB 0.537 32.227 31.700 -0.016 0.000 0.927 123 I N 2.005 122.559 120.570 -0.027 0.000 2.529 123 I HA 0.046 4.216 4.170 -0.000 0.000 0.284 123 I C 0.616 176.705 176.117 -0.047 0.000 1.082 123 I CA 0.161 61.439 61.300 -0.037 0.000 1.406 123 I CB 0.280 38.257 38.000 -0.040 0.000 1.405 123 I HN 0.343 nan 8.210 nan 0.000 0.548 124 D N 5.606 125.972 120.400 -0.057 0.000 2.453 124 D HA 0.392 5.032 4.640 -0.000 0.000 0.223 124 D C -0.083 176.153 176.300 -0.106 0.000 1.183 124 D CA -0.047 53.910 54.000 -0.071 0.000 0.933 124 D CB 0.439 41.199 40.800 -0.066 0.000 1.038 124 D HN 0.595 nan 8.370 nan 0.000 0.513 125 A N 2.528 125.289 122.820 -0.099 0.000 2.310 125 A HA 0.625 4.945 4.320 -0.000 0.000 0.299 125 A C 1.000 178.502 177.584 -0.137 0.000 1.147 125 A CA -0.142 51.819 52.037 -0.126 0.000 0.818 125 A CB 1.373 20.320 19.000 -0.089 0.000 1.096 125 A HN 0.563 nan 8.150 nan 0.000 0.495 126 A N 1.566 124.266 122.820 -0.199 0.000 2.081 126 A HA 0.542 4.862 4.320 -0.000 0.000 0.214 126 A C 1.148 178.694 177.584 -0.063 0.000 1.158 126 A CA 1.490 53.434 52.037 -0.155 0.000 0.724 126 A CB -0.271 18.565 19.000 -0.274 0.000 0.826 126 A HN 2.169 nan 8.150 nan 0.000 0.463 127 G N -1.265 107.495 108.800 -0.066 0.000 2.364 127 G HA2 0.472 4.432 3.960 -0.000 0.000 0.286 127 G HA3 0.472 4.432 3.960 -0.000 0.000 0.286 127 G C -1.401 173.486 174.900 -0.021 0.000 1.241 127 G CA -0.936 44.153 45.100 -0.018 0.000 0.887 127 G HN 0.073 nan 8.290 nan 0.000 0.484 128 R N 0.799 121.300 120.500 0.001 0.000 2.629 128 R HA 0.453 4.793 4.340 -0.000 0.000 0.275 128 R C -0.383 175.927 176.300 0.016 0.000 1.719 128 R CA -0.394 55.706 56.100 -0.000 0.000 1.472 128 R CB 1.296 31.593 30.300 -0.006 0.000 1.237 128 R HN 0.436 nan 8.270 nan 0.000 0.589 129 S N 1.721 117.440 115.700 0.031 0.000 2.573 129 S HA 0.162 4.632 4.470 -0.000 0.000 0.277 129 S C 0.712 175.328 174.600 0.027 0.000 1.346 129 S CA -0.160 58.066 58.200 0.043 0.000 1.034 129 S CB 0.833 64.076 63.200 0.072 0.000 0.879 129 S HN 0.334 nan 8.310 nan 0.000 0.528 130 R N 0.693 121.207 120.500 0.024 0.000 2.679 130 R HA 0.298 4.638 4.340 -0.000 0.000 0.269 130 R C 1.406 177.714 176.300 0.014 0.000 1.076 130 R CA -0.008 56.099 56.100 0.012 0.000 1.160 130 R CB 0.186 30.489 30.300 0.006 0.000 1.054 130 R HN 0.746 nan 8.270 nan 0.000 0.507 131 A N 1.890 124.708 122.820 -0.003 0.000 1.872 131 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 131 A C 0.522 178.087 177.584 -0.032 0.000 1.187 131 A CA 1.075 53.111 52.037 -0.002 0.000 0.614 131 A CB 0.092 19.072 19.000 -0.033 0.000 0.826 131 A HN 0.533 nan 8.150 nan 0.000 0.442 132 Q N 0.812 120.559 119.800 -0.088 0.000 2.503 132 Q HA 0.432 4.772 4.340 -0.000 0.000 0.227 132 Q C -1.202 174.765 176.000 -0.054 0.000 1.109 132 Q CA -0.016 55.703 55.803 -0.138 0.000 0.922 132 Q CB 0.979 29.608 28.738 -0.181 0.000 1.249 132 Q HN 0.222 nan 8.270 nan 0.000 0.530 133 V N 2.145 122.048 119.914 -0.018 0.000 2.547 133 V HA 0.311 4.431 4.120 -0.000 0.000 0.299 133 V C 0.484 176.585 176.094 0.012 0.000 1.040 133 V CA -0.848 61.457 62.300 0.010 0.000 0.913 133 V CB 2.187 34.032 31.823 0.036 0.000 0.992 133 V HN 0.517 nan 8.190 nan 0.000 0.449 134 K N 2.153 122.564 120.400 0.017 0.000 2.295 134 K HA 0.568 4.888 4.320 -0.000 0.000 0.270 134 K C 0.188 176.808 176.600 0.033 0.000 1.011 134 K CA -0.201 56.101 56.287 0.026 0.000 0.953 134 K CB 1.006 33.523 32.500 0.028 0.000 0.956 134 K HN 0.881 nan 8.250 nan 0.000 0.477 135 A N 4.291 127.134 122.820 0.038 0.000 2.351 135 A HA 0.330 4.650 4.320 -0.000 0.000 0.257 135 A C -2.168 175.437 177.584 0.036 0.000 1.087 135 A CA -1.285 50.776 52.037 0.041 0.000 0.798 135 A CB -0.242 18.784 19.000 0.043 0.000 1.033 135 A HN 0.558 nan 8.150 nan 0.000 0.488 136 P HA 0.155 nan 4.420 nan 0.000 0.264 136 P C 0.587 177.905 177.300 0.030 0.000 1.193 136 P CA 0.454 63.571 63.100 0.028 0.000 0.763 136 P CB 0.394 32.111 31.700 0.027 0.000 0.810 137 G N 1.803 110.619 108.800 0.026 0.000 2.486 137 G HA2 0.139 4.099 3.960 -0.000 0.000 0.272 137 G HA3 0.139 4.099 3.960 -0.000 0.000 0.272 137 G C 1.074 175.990 174.900 0.027 0.000 1.426 137 G CA -0.524 44.592 45.100 0.028 0.000 1.058 137 G HN 0.306 nan 8.290 nan 0.000 0.531 138 I N -0.955 119.630 120.570 0.025 0.000 2.286 138 I HA -0.084 4.086 4.170 -0.000 0.000 0.248 138 I C 2.500 178.630 176.117 0.021 0.000 1.115 138 I CA 0.860 62.175 61.300 0.025 0.000 1.392 138 I CB -0.341 37.673 38.000 0.023 0.000 1.065 138 I HN 0.249 nan 8.210 nan 0.000 0.418 139 L N 0.704 121.938 121.223 0.018 0.000 2.202 139 L HA 0.104 4.444 4.340 -0.000 0.000 0.205 139 L C -0.832 176.046 176.870 0.014 0.000 1.083 139 L CA 1.087 55.936 54.840 0.015 0.000 0.790 139 L CB -1.356 40.710 42.059 0.011 0.000 0.942 139 L HN 0.147 nan 8.230 nan 0.000 0.452 140 P HA -0.041 nan 4.420 nan 0.000 0.269 140 P C -0.304 177.006 177.300 0.018 0.000 1.376 140 P CA 0.614 63.721 63.100 0.012 0.000 0.775 140 P CB -0.161 31.544 31.700 0.009 0.000 1.345 141 R N -0.436 120.077 120.500 0.022 0.000 2.930 141 R HA 0.697 5.037 4.340 -0.000 0.000 0.257 141 R C 0.046 176.366 176.300 0.033 0.000 1.107 141 R CA -0.862 55.256 56.100 0.030 0.000 0.999 141 R CB 2.203 32.522 30.300 0.032 0.000 1.209 141 R HN -0.116 nan 8.270 nan 0.000 0.486 142 R N 0.453 120.979 120.500 0.044 0.000 2.680 142 R HA 0.199 4.539 4.340 -0.000 0.000 0.269 142 R C -1.277 175.061 176.300 0.064 0.000 1.026 142 R CA -0.447 55.684 56.100 0.051 0.000 0.889 142 R CB 2.159 32.497 30.300 0.062 0.000 1.241 142 R HN 0.892 nan 8.270 nan 0.000 0.463 143 S N 1.500 117.238 115.700 0.062 0.000 2.549 143 S HA 0.141 4.611 4.470 -0.000 0.000 0.283 143 S C 0.780 175.442 174.600 0.103 0.000 1.320 143 S CA -0.620 57.620 58.200 0.066 0.000 1.058 143 S CB 0.685 63.915 63.200 0.050 0.000 0.882 143 S HN 0.468 nan 8.310 nan 0.000 0.498 144 V N 2.578 122.532 119.914 0.067 0.000 2.540 144 V HA 0.244 4.364 4.120 -0.000 0.000 0.297 144 V C 1.203 177.340 176.094 0.072 0.000 1.024 144 V CA 0.333 62.654 62.300 0.035 0.000 1.105 144 V CB -0.455 31.362 31.823 -0.009 0.000 0.938 144 V HN 1.174 nan 8.190 nan 0.000 0.482 145 H N 1.224 120.273 119.070 -0.034 0.000 3.398 145 H HA 0.445 5.001 4.556 -0.000 0.000 0.260 145 H C -0.113 175.179 175.328 -0.060 0.000 1.189 145 H CA -0.329 55.698 56.048 -0.036 0.000 1.145 145 H CB 0.644 30.392 29.762 -0.025 0.000 1.599 145 H HN 0.697 nan 8.280 nan 0.000 0.615 146 E N 3.337 123.275 120.200 -0.438 0.000 2.207 146 E HA 0.386 4.736 4.350 -0.000 0.000 0.270 146 E C -2.706 173.734 176.600 -0.266 0.000 0.927 146 E CA -2.141 54.021 56.400 -0.397 0.000 0.799 146 E CB 2.336 31.704 29.700 -0.552 0.000 1.172 146 E HN 0.194 nan 8.360 nan 0.000 0.404 147 P HA 0.125 nan 4.420 nan 0.000 0.281 147 P C -0.754 176.404 177.300 -0.236 0.000 1.249 147 P CA -0.499 62.490 63.100 -0.185 0.000 0.810 147 P CB 0.975 32.589 31.700 -0.142 0.000 1.008 148 V N 3.285 123.102 119.914 -0.161 0.000 2.293 148 V HA 0.187 4.307 4.120 -0.000 0.000 0.275 148 V C 0.504 176.555 176.094 -0.071 0.000 1.021 148 V CA -0.307 61.905 62.300 -0.146 0.000 0.815 148 V CB 0.260 32.024 31.823 -0.099 0.000 1.025 148 V HN 0.465 nan 8.190 nan 0.000 0.448 149 Q N 2.215 121.979 119.800 -0.059 0.000 2.344 149 Q HA 0.150 4.490 4.340 -0.000 0.000 0.253 149 Q C 1.427 177.501 176.000 0.123 0.000 1.050 149 Q CA 0.130 55.977 55.803 0.073 0.000 0.912 149 Q CB 1.099 29.962 28.738 0.209 0.000 1.258 149 Q HN 0.930 nan 8.270 nan 0.000 0.443 150 T N -0.938 113.663 114.554 0.079 0.000 2.985 150 T HA 0.073 4.423 4.350 -0.000 0.000 0.266 150 T C 1.401 176.146 174.700 0.075 0.000 1.076 150 T CA 0.650 62.791 62.100 0.070 0.000 1.135 150 T CB 0.055 68.949 68.868 0.043 0.000 0.890 150 T HN 0.846 nan 8.240 nan 0.000 0.480 151 G N 1.107 109.955 108.800 0.080 0.000 2.175 151 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.244 151 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.244 151 G C -0.102 174.825 174.900 0.045 0.000 0.982 151 G CA 0.072 45.209 45.100 0.061 0.000 0.641 151 G HN 0.665 nan 8.290 nan 0.000 0.527 152 L N 0.437 121.686 121.223 0.043 0.000 2.272 152 L HA 0.489 4.829 4.340 -0.000 0.000 0.289 152 L C 1.594 178.491 176.870 0.044 0.000 1.032 152 L CA -0.946 53.915 54.840 0.035 0.000 0.810 152 L CB 1.344 43.419 42.059 0.027 0.000 1.205 152 L HN -0.006 nan 8.230 nan 0.000 0.422 153 K N 2.323 122.751 120.400 0.047 0.000 2.032 153 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 153 K C 2.041 178.674 176.600 0.054 0.000 1.048 153 K CA 1.819 58.139 56.287 0.055 0.000 0.927 153 K CB -0.142 32.394 32.500 0.060 0.000 0.712 153 K HN 0.819 nan 8.250 nan 0.000 0.441 154 A N 0.913 123.763 122.820 0.050 0.000 1.902 154 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 154 A C 2.385 180.001 177.584 0.053 0.000 1.181 154 A CA 1.529 53.598 52.037 0.054 0.000 0.623 154 A CB -0.612 18.420 19.000 0.053 0.000 0.818 154 A HN 0.082 nan 8.150 nan 0.000 0.443 155 V N 0.499 120.442 119.914 0.047 0.000 2.239 155 V HA -0.189 3.931 4.120 -0.000 0.000 0.242 155 V C 2.085 178.204 176.094 0.043 0.000 1.038 155 V CA 2.212 64.539 62.300 0.044 0.000 1.002 155 V CB -0.850 30.995 31.823 0.037 0.000 0.641 155 V HN 0.480 nan 8.190 nan 0.000 0.449 156 D N 0.289 120.716 120.400 0.044 0.000 2.263 156 D HA -0.071 4.569 4.640 -0.000 0.000 0.208 156 D C 1.964 178.291 176.300 0.045 0.000 0.971 156 D CA 1.441 55.467 54.000 0.043 0.000 0.867 156 D CB -0.160 40.670 40.800 0.050 0.000 0.929 156 D HN 0.461 nan 8.370 nan 0.000 0.492 157 A N -0.203 122.647 122.820 0.051 0.000 1.887 157 A HA 0.094 4.414 4.320 -0.000 0.000 0.212 157 A C 2.138 179.753 177.584 0.052 0.000 1.198 157 A CA 0.460 52.529 52.037 0.054 0.000 0.628 157 A CB -0.277 18.758 19.000 0.060 0.000 0.847 157 A HN 0.177 nan 8.150 nan 0.000 0.449 158 L N -0.569 120.687 121.223 0.054 0.000 2.357 158 L HA 0.117 4.457 4.340 -0.000 0.000 0.211 158 L C 0.423 177.324 176.870 0.052 0.000 1.075 158 L CA 0.486 55.361 54.840 0.057 0.000 0.830 158 L CB 0.322 42.420 42.059 0.066 0.000 0.996 158 L HN 0.253 nan 8.230 nan 0.000 0.467 159 V N -2.593 117.350 119.914 0.048 0.000 2.468 159 V HA 0.395 4.515 4.120 -0.000 0.000 0.256 159 V C -2.696 173.417 176.094 0.033 0.000 0.998 159 V CA -1.748 60.578 62.300 0.043 0.000 1.114 159 V CB -0.182 31.670 31.823 0.048 0.000 1.378 159 V HN -0.077 nan 8.190 nan 0.000 0.573 160 P HA 0.334 nan 4.420 nan 0.000 0.268 160 P C -0.277 177.027 177.300 0.006 0.000 1.204 160 P CA 0.374 63.484 63.100 0.016 0.000 0.768 160 P CB 1.456 33.164 31.700 0.015 0.000 0.842 161 I N 2.251 122.817 120.570 -0.006 0.000 2.359 161 I HA 0.404 4.574 4.170 -0.000 0.000 0.294 161 I C 1.286 177.377 176.117 -0.044 0.000 0.987 161 I CA -0.438 60.853 61.300 -0.016 0.000 1.225 161 I CB 1.515 39.507 38.000 -0.014 0.000 1.366 161 I HN 0.309 nan 8.210 nan 0.000 0.466 162 G N 4.786 113.560 108.800 -0.044 0.000 2.476 162 G HA2 0.388 4.348 3.960 -0.000 0.000 0.286 162 G HA3 0.388 4.348 3.960 -0.000 0.000 0.286 162 G C -0.170 174.673 174.900 -0.096 0.000 1.177 162 G CA -0.773 44.282 45.100 -0.074 0.000 0.870 162 G HN 0.551 nan 8.290 nan 0.000 0.528 163 R N 0.694 121.101 120.500 -0.155 0.000 2.351 163 R HA 0.352 4.692 4.340 -0.000 0.000 0.321 163 R C 1.100 177.349 176.300 -0.085 0.000 1.182 163 R CA 0.935 56.932 56.100 -0.171 0.000 1.011 163 R CB 0.242 30.338 30.300 -0.340 0.000 1.048 163 R HN 0.975 nan 8.270 nan 0.000 0.490 164 G N 1.763 110.544 108.800 -0.032 0.000 2.380 164 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.197 164 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.197 164 G C 0.281 175.187 174.900 0.010 0.000 1.001 164 G CA -0.456 44.649 45.100 0.008 0.000 0.668 164 G HN 0.537 nan 8.290 nan 0.000 0.483 165 Q N 0.572 120.369 119.800 -0.005 0.000 2.540 165 Q HA 0.498 4.838 4.340 -0.000 0.000 0.256 165 Q C 0.008 176.014 176.000 0.011 0.000 1.084 165 Q CA 0.218 56.024 55.803 0.004 0.000 0.956 165 Q CB 0.282 29.017 28.738 -0.004 0.000 1.303 165 Q HN 0.442 nan 8.270 nan 0.000 0.509 166 R N 2.020 122.532 120.500 0.019 0.000 2.409 166 R HA 0.253 4.593 4.340 -0.000 0.000 0.313 166 R C -1.439 174.875 176.300 0.022 0.000 0.953 166 R CA -0.521 55.593 56.100 0.024 0.000 0.849 166 R CB 1.560 31.880 30.300 0.034 0.000 1.171 166 R HN 0.444 nan 8.270 nan 0.000 0.458 167 E N 3.128 123.338 120.200 0.017 0.000 2.145 167 E HA 0.178 4.528 4.350 -0.000 0.000 0.262 167 E C -1.386 175.226 176.600 0.020 0.000 0.883 167 E CA -0.911 55.501 56.400 0.020 0.000 0.748 167 E CB 1.026 30.737 29.700 0.017 0.000 1.140 167 E HN 0.326 nan 8.360 nan 0.000 0.417 168 L N 5.518 126.756 121.223 0.025 0.000 2.410 168 L HA 0.397 4.737 4.340 -0.000 0.000 0.273 168 L C -0.922 175.965 176.870 0.028 0.000 1.152 168 L CA 0.365 55.217 54.840 0.021 0.000 0.855 168 L CB 0.343 42.416 42.059 0.023 0.000 1.129 168 L HN 0.631 nan 8.230 nan 0.000 0.463 169 I N 7.117 127.695 120.570 0.013 0.000 2.312 169 I HA 0.405 4.575 4.170 -0.000 0.000 0.290 169 I C -0.238 175.880 176.117 0.002 0.000 1.008 169 I CA -0.058 61.247 61.300 0.009 0.000 1.226 169 I CB 1.149 39.148 38.000 -0.003 0.000 1.371 169 I HN 0.599 nan 8.210 nan 0.000 0.468 170 I N 5.542 126.121 120.570 0.015 0.000 2.647 170 I HA 0.906 5.076 4.170 -0.000 0.000 0.295 170 I C -0.308 175.776 176.117 -0.055 0.000 1.078 170 I CA -0.025 61.293 61.300 0.029 0.000 1.048 170 I CB 1.999 40.071 38.000 0.121 0.000 1.239 170 I HN 0.679 nan 8.210 nan 0.000 0.421 171 G N 4.556 113.307 108.800 -0.081 0.000 2.313 171 G HA2 0.144 4.104 3.960 -0.000 0.000 0.296 171 G HA3 0.144 4.104 3.960 -0.000 0.000 0.296 171 G C -1.998 172.821 174.900 -0.135 0.000 1.356 171 G CA -0.884 44.082 45.100 -0.224 0.000 0.833 171 G HN 0.528 nan 8.290 nan 0.000 0.552 172 D N 0.335 120.640 120.400 -0.157 0.000 2.419 172 D HA 0.296 4.936 4.640 -0.000 0.000 0.236 172 D C 1.247 177.466 176.300 -0.135 0.000 1.165 172 D CA 0.113 54.053 54.000 -0.101 0.000 0.882 172 D CB 0.612 41.359 40.800 -0.088 0.000 1.201 172 D HN 0.589 nan 8.370 nan 0.000 0.443 173 R N 1.674 122.120 120.500 -0.091 0.000 2.587 173 R HA -0.160 4.180 4.340 -0.000 0.000 0.268 173 R C -0.112 176.090 176.300 -0.163 0.000 0.978 173 R CA 0.396 56.438 56.100 -0.096 0.000 1.097 173 R CB 0.139 30.408 30.300 -0.051 0.000 0.917 173 R HN 0.390 nan 8.270 nan 0.000 0.414 174 Q N 1.098 120.786 119.800 -0.187 0.000 2.463 174 Q HA -0.158 4.182 4.340 -0.000 0.000 0.299 174 Q C -0.053 175.546 176.000 -0.668 0.000 1.353 174 Q CA 1.628 57.266 55.803 -0.275 0.000 0.828 174 Q CB -1.862 26.795 28.738 -0.136 0.000 1.157 174 Q HN 0.915 nan 8.270 nan 0.000 0.436 175 T N -4.690 109.426 114.554 -0.731 0.000 3.200 175 T HA 0.473 4.823 4.350 -0.000 0.000 0.284 175 T C 0.952 175.140 174.700 -0.853 0.000 1.009 175 T CA 0.440 61.833 62.100 -1.178 0.000 0.907 175 T CB 0.984 69.502 68.868 -0.583 0.000 1.120 175 T HN 0.903 nan 8.240 nan 0.000 0.534 176 G N 2.098 110.576 108.800 -0.536 0.000 2.212 176 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.255 176 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.255 176 G C 0.671 175.523 174.900 -0.081 0.000 1.062 176 G CA 0.421 45.459 45.100 -0.104 0.000 0.815 176 G HN 0.558 nan 8.290 nan 0.000 0.497 177 K N -0.720 119.610 120.400 -0.117 0.000 1.984 177 K HA -0.049 4.271 4.320 -0.000 0.000 0.209 177 K C 2.664 179.253 176.600 -0.018 0.000 1.046 177 K CA 1.801 58.047 56.287 -0.068 0.000 0.934 177 K CB -0.377 32.078 32.500 -0.076 0.000 0.717 177 K HN 0.332 nan 8.250 nan 0.000 0.438 178 T N 1.567 116.122 114.554 0.001 0.000 2.720 178 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 178 T C 2.052 176.764 174.700 0.020 0.000 1.037 178 T CA 1.469 63.601 62.100 0.054 0.000 1.144 178 T CB -0.372 68.540 68.868 0.074 0.000 0.864 178 T HN 0.341 nan 8.240 nan 0.000 0.444 179 A N 0.878 123.686 122.820 -0.020 0.000 1.978 179 A HA -0.068 4.252 4.320 -0.000 0.000 0.220 179 A C 2.576 180.125 177.584 -0.059 0.000 1.170 179 A CA 1.385 53.380 52.037 -0.070 0.000 0.636 179 A CB -0.989 17.967 19.000 -0.074 0.000 0.810 179 A HN 0.381 nan 8.150 nan 0.000 0.448 180 V N -0.380 119.522 119.914 -0.021 0.000 2.244 180 V HA -0.209 3.911 4.120 -0.000 0.000 0.244 180 V C 3.075 179.173 176.094 0.006 0.000 1.042 180 V CA 1.897 64.192 62.300 -0.007 0.000 1.006 180 V CB -1.325 30.500 31.823 0.003 0.000 0.641 180 V HN 0.622 nan 8.190 nan 0.000 0.446 181 A N -0.105 122.732 122.820 0.028 0.000 1.873 181 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 181 A C 2.198 179.812 177.584 0.049 0.000 1.193 181 A CA 2.444 54.514 52.037 0.056 0.000 0.629 181 A CB -0.828 18.239 19.000 0.112 0.000 0.826 181 A HN 0.439 nan 8.150 nan 0.000 0.447 182 L N 0.121 121.358 121.223 0.023 0.000 2.013 182 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 182 L C 1.693 178.554 176.870 -0.015 0.000 1.073 182 L CA 2.776 57.601 54.840 -0.025 0.000 0.753 182 L CB -0.761 41.267 42.059 -0.053 0.000 0.890 182 L HN 0.414 nan 8.230 nan 0.000 0.432 183 D N -1.672 118.709 120.400 -0.031 0.000 2.178 183 D HA -0.130 4.510 4.640 -0.000 0.000 0.202 183 D C 2.086 178.399 176.300 0.022 0.000 0.974 183 D CA 1.464 55.450 54.000 -0.024 0.000 0.841 183 D CB -0.150 40.613 40.800 -0.062 0.000 0.953 183 D HN 0.364 nan 8.370 nan 0.000 0.478 184 T N 0.414 114.988 114.554 0.033 0.000 2.777 184 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 184 T C 2.094 176.848 174.700 0.090 0.000 1.040 184 T CA 0.562 62.698 62.100 0.059 0.000 1.141 184 T CB -0.172 68.724 68.868 0.046 0.000 0.868 184 T HN 0.172 nan 8.240 nan 0.000 0.444 185 I N 0.898 121.519 120.570 0.087 0.000 2.286 185 I HA -0.127 4.043 4.170 -0.000 0.000 0.248 185 I C 2.216 178.447 176.117 0.190 0.000 1.115 185 I CA 1.143 62.524 61.300 0.135 0.000 1.392 185 I CB -0.442 37.602 38.000 0.074 0.000 1.065 185 I HN 0.208 nan 8.210 nan 0.000 0.418 186 L N 0.267 121.555 121.223 0.108 0.000 2.093 186 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 186 L C 2.145 179.100 176.870 0.141 0.000 1.085 186 L CA 1.362 56.271 54.840 0.115 0.000 0.755 186 L CB -0.760 41.313 42.059 0.024 0.000 0.904 186 L HN 0.313 nan 8.230 nan 0.000 0.435 187 N N -0.359 118.406 118.700 0.108 0.000 2.453 187 N HA -0.170 4.570 4.740 -0.000 0.000 0.183 187 N C 1.776 177.339 175.510 0.089 0.000 1.041 187 N CA 0.571 53.667 53.050 0.076 0.000 0.900 187 N CB 0.183 38.726 38.487 0.094 0.000 0.961 187 N HN 0.188 nan 8.380 nan 0.000 0.443 188 Q N 0.211 120.098 119.800 0.146 0.000 2.369 188 Q HA -0.072 4.268 4.340 -0.000 0.000 0.206 188 Q C 1.587 177.483 176.000 -0.173 0.000 0.963 188 Q CA 0.569 56.415 55.803 0.071 0.000 0.894 188 Q CB -0.170 28.529 28.738 -0.065 0.000 0.965 188 Q HN 0.461 nan 8.270 nan 0.000 0.475 189 K N 1.105 121.468 120.400 -0.061 0.000 2.160 189 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 189 K C 1.849 178.328 176.600 -0.201 0.000 1.047 189 K CA 1.074 57.329 56.287 -0.053 0.000 0.930 189 K CB 0.094 32.651 32.500 0.094 0.000 0.720 189 K HN 0.091 nan 8.250 nan 0.000 0.450 190 R N -1.010 119.271 120.500 -0.365 0.000 2.159 190 R HA -0.162 4.178 4.340 -0.000 0.000 0.237 190 R C 1.438 177.241 176.300 -0.828 0.000 1.131 190 R CA 1.514 57.170 56.100 -0.739 0.000 0.982 190 R CB -0.046 29.474 30.300 -1.300 0.000 0.868 190 R HN 0.469 nan 8.270 nan 0.000 0.453 191 W N -1.192 120.014 121.300 -0.157 0.000 2.942 191 W HA 0.211 4.871 4.660 -0.000 0.000 0.260 191 W C 1.275 177.670 176.519 -0.207 0.000 1.101 191 W CA -0.564 56.685 57.345 -0.159 0.000 1.436 191 W CB -0.346 29.018 29.460 -0.159 0.000 0.883 191 W HN 0.020 nan 8.180 nan 0.000 0.646 192 N N 1.414 120.036 118.700 -0.129 0.000 2.381 192 N HA -0.119 4.621 4.740 -0.000 0.000 0.182 192 N C 1.067 176.513 175.510 -0.106 0.000 1.025 192 N CA 0.967 53.858 53.050 -0.264 0.000 0.888 192 N CB -0.389 37.688 38.487 -0.682 0.000 0.965 192 N HN 0.131 nan 8.380 nan 0.000 0.438 193 N N 0.476 119.131 118.700 -0.075 0.000 2.354 193 N HA -0.020 4.719 4.740 -0.000 0.000 0.179 193 N C 1.263 176.767 175.510 -0.011 0.000 1.021 193 N CA 0.347 53.382 53.050 -0.024 0.000 0.887 193 N CB -0.313 38.152 38.487 -0.036 0.000 0.974 193 N HN 0.163 nan 8.380 nan 0.000 0.437 194 G N -0.424 108.370 108.800 -0.011 0.000 2.479 194 G HA2 0.190 4.150 3.960 -0.000 0.000 0.275 194 G HA3 0.190 4.150 3.960 -0.000 0.000 0.275 194 G C 0.768 175.692 174.900 0.040 0.000 1.421 194 G CA -0.008 45.103 45.100 0.018 0.000 1.059 194 G HN 0.184 nan 8.290 nan 0.000 0.535 195 S N -0.940 114.791 115.700 0.051 0.000 2.517 195 S HA 0.061 4.530 4.470 -0.000 0.000 0.228 195 S C 0.692 175.331 174.600 0.065 0.000 1.060 195 S CA 0.181 58.413 58.200 0.053 0.000 0.937 195 S CB -0.074 63.152 63.200 0.043 0.000 0.840 195 S HN 0.671 nan 8.310 nan 0.000 0.546 196 D N 2.543 122.984 120.400 0.069 0.000 2.426 196 D HA 0.011 4.651 4.640 -0.000 0.000 0.261 196 D C 0.949 177.295 176.300 0.076 0.000 1.245 196 D CA 0.279 54.320 54.000 0.068 0.000 0.917 196 D CB 0.427 41.267 40.800 0.066 0.000 1.123 196 D HN 0.004 nan 8.370 nan 0.000 0.508 197 E N 1.863 122.113 120.200 0.084 0.000 2.208 197 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 197 E C 1.752 178.427 176.600 0.125 0.000 0.988 197 E CA 0.703 57.173 56.400 0.116 0.000 0.828 197 E CB 0.026 29.798 29.700 0.121 0.000 0.763 197 E HN 0.633 nan 8.360 nan 0.000 0.478 198 S N 0.063 115.823 115.700 0.100 0.000 2.436 198 S HA 0.017 4.487 4.470 -0.000 0.000 0.228 198 S C 1.738 176.413 174.600 0.125 0.000 1.014 198 S CA 0.436 58.721 58.200 0.142 0.000 0.950 198 S CB 0.103 63.372 63.200 0.115 0.000 0.784 198 S HN -0.067 nan 8.310 nan 0.000 0.504 199 K N 1.309 121.720 120.400 0.018 0.000 2.459 199 K HA 0.255 4.575 4.320 -0.000 0.000 0.193 199 K C 0.106 176.621 176.600 -0.143 0.000 1.030 199 K CA 0.270 56.477 56.287 -0.133 0.000 1.026 199 K CB -0.037 32.393 32.500 -0.117 0.000 0.809 199 K HN 0.482 nan 8.250 nan 0.000 0.504 200 K N 0.871 121.253 120.400 -0.031 0.000 2.218 200 K HA 0.148 4.468 4.320 -0.000 0.000 0.276 200 K C -0.533 175.952 176.600 -0.191 0.000 1.022 200 K CA -0.416 55.780 56.287 -0.152 0.000 0.946 200 K CB 0.781 33.153 32.500 -0.213 0.000 1.000 200 K HN -0.194 nan 8.250 nan 0.000 0.468 201 L N 4.610 125.627 121.223 -0.344 0.000 2.427 201 L HA 0.317 4.657 4.340 -0.000 0.000 0.264 201 L C -1.591 175.086 176.870 -0.322 0.000 0.989 201 L CA -0.424 54.283 54.840 -0.221 0.000 0.865 201 L CB 0.447 42.415 42.059 -0.152 0.000 1.209 201 L HN 0.454 nan 8.230 nan 0.000 0.430 202 Y N 2.828 123.066 120.300 -0.103 0.000 2.301 202 Y HA 0.516 5.066 4.550 -0.000 0.000 0.328 202 Y C 0.594 176.398 175.900 -0.159 0.000 1.242 202 Y CA -0.194 57.804 58.100 -0.170 0.000 1.323 202 Y CB 0.892 39.010 38.460 -0.570 0.000 1.266 202 Y HN 0.480 nan 8.280 nan 0.000 0.527 203 C N 1.799 121.155 119.300 0.094 0.000 2.507 203 C HA 0.764 5.224 4.460 -0.000 0.000 0.319 203 C C -0.598 174.395 174.990 0.004 0.000 1.208 203 C CA -1.085 57.967 59.018 0.057 0.000 1.619 203 C CB 1.134 28.960 27.740 0.143 0.000 2.230 203 C HN 0.557 nan 8.230 nan 0.000 0.492 204 V N 2.670 122.575 119.914 -0.015 0.000 2.443 204 V HA 0.326 4.446 4.120 -0.000 0.000 0.293 204 V C -1.148 174.941 176.094 -0.008 0.000 1.021 204 V CA -0.545 61.746 62.300 -0.016 0.000 0.848 204 V CB 1.219 33.011 31.823 -0.052 0.000 0.998 204 V HN 0.814 nan 8.190 nan 0.000 0.424 205 Y N 4.909 125.161 120.300 -0.080 0.000 2.331 205 Y HA 0.657 5.207 4.550 -0.000 0.000 0.338 205 Y C -0.280 175.584 175.900 -0.060 0.000 0.976 205 Y CA -0.637 57.415 58.100 -0.081 0.000 1.137 205 Y CB 1.693 40.120 38.460 -0.055 0.000 1.172 205 Y HN 0.436 nan 8.280 nan 0.000 0.478 206 V N 6.181 125.792 119.914 -0.505 0.000 2.311 206 V HA 0.614 4.734 4.120 -0.000 0.000 0.275 206 V C -0.021 175.836 176.094 -0.394 0.000 1.022 206 V CA -0.780 61.347 62.300 -0.288 0.000 0.830 206 V CB 0.696 32.454 31.823 -0.108 0.000 1.012 206 V HN 0.919 nan 8.190 nan 0.000 0.452 207 A N 5.279 128.009 122.820 -0.151 0.000 2.294 207 A HA 0.735 5.054 4.320 -0.000 0.000 0.316 207 A C -0.421 177.159 177.584 -0.006 0.000 1.359 207 A CA -0.379 51.635 52.037 -0.038 0.000 0.956 207 A CB 0.592 19.692 19.000 0.167 0.000 1.155 207 A HN 0.686 nan 8.150 nan 0.000 0.544 208 V N 2.526 122.430 119.914 -0.017 0.000 2.378 208 V HA 0.634 4.754 4.120 -0.000 0.000 0.288 208 V C 1.114 177.227 176.094 0.031 0.000 1.016 208 V CA 0.519 62.826 62.300 0.011 0.000 0.840 208 V CB 0.717 32.540 31.823 0.000 0.000 0.994 208 V HN 1.756 nan 8.190 nan 0.000 0.431 209 G N 3.997 112.825 108.800 0.047 0.000 2.159 209 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.256 209 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.256 209 G C 0.131 175.060 174.900 0.049 0.000 0.977 209 G CA 0.275 45.406 45.100 0.053 0.000 0.652 209 G HN 0.620 nan 8.290 nan 0.000 0.531 210 Q N 0.034 119.865 119.800 0.052 0.000 2.256 210 Q HA 0.543 4.883 4.340 -0.000 0.000 0.232 210 Q C 0.552 176.582 176.000 0.051 0.000 0.965 210 Q CA -0.425 55.412 55.803 0.056 0.000 0.908 210 Q CB 0.711 29.495 28.738 0.077 0.000 1.209 210 Q HN 0.415 nan 8.270 nan 0.000 0.489 211 K N 0.933 121.361 120.400 0.047 0.000 2.295 211 K HA 0.102 4.422 4.320 -0.000 0.000 0.270 211 K C 0.903 177.528 176.600 0.041 0.000 1.011 211 K CA -0.185 56.126 56.287 0.040 0.000 0.953 211 K CB 0.702 33.222 32.500 0.034 0.000 0.956 211 K HN 0.436 nan 8.250 nan 0.000 0.477 212 R N 0.901 121.422 120.500 0.035 0.000 2.091 212 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 212 R C 2.293 178.610 176.300 0.027 0.000 1.136 212 R CA 2.059 58.178 56.100 0.032 0.000 0.959 212 R CB -0.407 29.909 30.300 0.027 0.000 0.856 212 R HN 0.812 nan 8.270 nan 0.000 0.437 213 S N 0.181 115.895 115.700 0.025 0.000 2.380 213 S HA -0.196 4.274 4.470 -0.000 0.000 0.229 213 S C 1.999 176.611 174.600 0.021 0.000 1.043 213 S CA 2.038 60.250 58.200 0.020 0.000 1.038 213 S CB -0.756 62.456 63.200 0.020 0.000 0.872 213 S HN 0.249 nan 8.310 nan 0.000 0.456 214 T N 2.273 116.844 114.554 0.028 0.000 2.674 214 T HA -0.016 4.334 4.350 -0.000 0.000 0.265 214 T C 1.981 176.695 174.700 0.022 0.000 1.039 214 T CA 1.563 63.681 62.100 0.030 0.000 1.150 214 T CB -0.569 68.326 68.868 0.044 0.000 0.864 214 T HN 0.325 nan 8.240 nan 0.000 0.427 215 V N 1.790 121.724 119.914 0.034 0.000 2.427 215 V HA -0.094 4.026 4.120 -0.000 0.000 0.248 215 V C 2.891 178.985 176.094 0.001 0.000 1.051 215 V CA 1.416 63.734 62.300 0.029 0.000 1.048 215 V CB -1.331 30.533 31.823 0.068 0.000 0.666 215 V HN 0.503 nan 8.190 nan 0.000 0.456 216 A N -0.429 122.395 122.820 0.007 0.000 1.892 216 A HA -0.339 3.981 4.320 -0.000 0.000 0.218 216 A C 2.210 179.787 177.584 -0.013 0.000 1.188 216 A CA 2.276 54.312 52.037 -0.002 0.000 0.631 216 A CB -0.568 18.434 19.000 0.004 0.000 0.822 216 A HN 0.599 nan 8.150 nan 0.000 0.447 217 Q N -1.221 118.574 119.800 -0.009 0.000 2.224 217 Q HA -0.012 4.328 4.340 -0.000 0.000 0.203 217 Q C 2.052 178.035 176.000 -0.029 0.000 0.970 217 Q CA 1.179 56.974 55.803 -0.012 0.000 0.865 217 Q CB -0.174 28.565 28.738 0.002 0.000 0.922 217 Q HN 0.719 nan 8.270 nan 0.000 0.445 218 L N -0.482 120.712 121.223 -0.048 0.000 2.131 218 L HA -0.115 4.225 4.340 -0.000 0.000 0.206 218 L C 1.995 178.801 176.870 -0.108 0.000 1.087 218 L CA 0.516 55.297 54.840 -0.099 0.000 0.767 218 L CB 0.033 41.981 42.059 -0.185 0.000 0.917 218 L HN 0.024 nan 8.230 nan 0.000 0.441 219 V N -0.130 119.734 119.914 -0.082 0.000 2.287 219 V HA -0.348 3.772 4.120 -0.000 0.000 0.248 219 V C 2.505 178.563 176.094 -0.060 0.000 1.053 219 V CA 2.050 64.308 62.300 -0.071 0.000 1.027 219 V CB -0.648 31.149 31.823 -0.043 0.000 0.646 219 V HN 0.543 nan 8.190 nan 0.000 0.447 220 Q N 0.639 120.411 119.800 -0.047 0.000 2.077 220 Q HA -0.210 4.130 4.340 -0.000 0.000 0.206 220 Q C 2.155 178.132 176.000 -0.039 0.000 0.989 220 Q CA 2.846 58.624 55.803 -0.042 0.000 0.853 220 Q CB -0.879 27.838 28.738 -0.036 0.000 0.907 220 Q HN 0.677 nan 8.270 nan 0.000 0.418 221 T N 0.825 115.358 114.554 -0.035 0.000 2.788 221 T HA -0.078 4.272 4.350 -0.000 0.000 0.268 221 T C 1.736 176.474 174.700 0.063 0.000 1.044 221 T CA 1.301 63.401 62.100 0.001 0.000 1.139 221 T CB -0.225 68.611 68.868 -0.052 0.000 0.867 221 T HN 0.230 nan 8.240 nan 0.000 0.454 222 L N 0.684 121.889 121.223 -0.031 0.000 2.141 222 L HA -0.051 4.289 4.340 -0.000 0.000 0.209 222 L C 2.791 179.631 176.870 -0.051 0.000 1.094 222 L CA 1.178 55.981 54.840 -0.061 0.000 0.763 222 L CB -0.531 41.447 42.059 -0.134 0.000 0.908 222 L HN 0.340 nan 8.230 nan 0.000 0.437 223 E N -0.104 120.066 120.200 -0.049 0.000 2.072 223 E HA -0.227 4.123 4.350 -0.000 0.000 0.190 223 E C 2.103 178.668 176.600 -0.057 0.000 0.982 223 E CA 0.856 57.224 56.400 -0.054 0.000 0.803 223 E CB -0.129 29.540 29.700 -0.052 0.000 0.755 223 E HN 0.563 nan 8.360 nan 0.000 0.453 224 Q N 0.038 119.798 119.800 -0.065 0.000 2.234 224 Q HA -0.155 4.185 4.340 -0.000 0.000 0.206 224 Q C 0.591 176.420 176.000 -0.284 0.000 0.980 224 Q CA 1.163 56.864 55.803 -0.170 0.000 0.869 224 Q CB -0.045 28.566 28.738 -0.213 0.000 0.912 224 Q HN 0.408 nan 8.270 nan 0.000 0.436 225 H N -0.981 118.034 119.070 -0.092 0.000 2.472 225 H HA 0.096 4.652 4.556 -0.000 0.000 0.287 225 H C -0.604 174.697 175.328 -0.046 0.000 1.112 225 H CA -0.104 55.905 56.048 -0.066 0.000 1.021 225 H CB 0.394 30.121 29.762 -0.058 0.000 1.635 225 H HN 0.129 nan 8.280 nan 0.000 0.559 226 D N 0.053 120.460 120.400 0.012 0.000 2.955 226 D HA -0.259 4.381 4.640 -0.000 0.000 0.226 226 D C 1.068 177.355 176.300 -0.021 0.000 1.178 226 D CA 0.973 54.977 54.000 0.005 0.000 0.808 226 D CB -0.806 40.013 40.800 0.033 0.000 1.099 226 D HN 0.572 nan 8.370 nan 0.000 0.421 227 A N -1.303 121.432 122.820 -0.143 0.000 2.303 227 A HA 0.223 4.543 4.320 -0.000 0.000 0.217 227 A C 1.839 179.006 177.584 -0.695 0.000 1.205 227 A CA 0.783 52.484 52.037 -0.560 0.000 0.875 227 A CB -0.062 18.714 19.000 -0.374 0.000 0.910 227 A HN 0.281 nan 8.150 nan 0.000 0.501 228 M N 1.321 120.731 119.600 -0.317 0.000 2.175 228 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 228 M C 1.936 178.135 176.300 -0.169 0.000 1.063 228 M CA 2.056 57.226 55.300 -0.217 0.000 1.119 228 M CB -0.509 32.022 32.600 -0.115 0.000 1.377 228 M HN 0.473 nan 8.290 nan 0.000 0.415 229 K N -0.585 119.748 120.400 -0.112 0.000 2.360 229 K HA -0.188 4.132 4.320 -0.000 0.000 0.201 229 K C 0.726 177.399 176.600 0.122 0.000 1.046 229 K CA 1.786 58.082 56.287 0.016 0.000 0.940 229 K CB -0.852 31.688 32.500 0.068 0.000 0.748 229 K HN 0.639 nan 8.250 nan 0.000 0.465 230 Y N -0.473 119.873 120.300 0.076 0.000 2.641 230 Y HA 0.406 4.956 4.550 -0.000 0.000 0.248 230 Y C -0.263 175.691 175.900 0.090 0.000 1.170 230 Y CA -0.935 57.237 58.100 0.119 0.000 1.201 230 Y CB -0.011 38.481 38.460 0.053 0.000 1.232 230 Y HN 0.122 nan 8.280 nan 0.000 0.537 231 S N 0.541 116.224 115.700 -0.028 0.000 2.634 231 S HA 0.854 5.324 4.470 -0.000 0.000 0.296 231 S C -1.005 173.602 174.600 0.012 0.000 1.104 231 S CA -0.761 57.431 58.200 -0.014 0.000 0.920 231 S CB 2.099 65.229 63.200 -0.118 0.000 1.111 231 S HN 0.254 nan 8.310 nan 0.000 0.493 232 I N 1.399 121.985 120.570 0.026 0.000 2.534 232 I HA 0.405 4.575 4.170 -0.000 0.000 0.288 232 I C -1.203 174.945 176.117 0.051 0.000 1.077 232 I CA -0.888 60.435 61.300 0.038 0.000 1.051 232 I CB 1.916 39.950 38.000 0.057 0.000 1.234 232 I HN 0.513 nan 8.210 nan 0.000 0.425 233 I N 6.483 127.084 120.570 0.051 0.000 2.339 233 I HA 0.377 4.547 4.170 -0.000 0.000 0.290 233 I C -0.138 176.016 176.117 0.061 0.000 0.994 233 I CA -0.813 60.537 61.300 0.084 0.000 1.191 233 I CB 1.598 39.644 38.000 0.076 0.000 1.343 233 I HN 0.170 nan 8.210 nan 0.000 0.458 234 V N 5.779 125.729 119.914 0.059 0.000 2.328 234 V HA 0.614 4.734 4.120 -0.000 0.000 0.278 234 V C 0.465 176.580 176.094 0.035 0.000 1.021 234 V CA -0.620 61.699 62.300 0.032 0.000 0.838 234 V CB 1.411 33.245 31.823 0.017 0.000 0.999 234 V HN 0.859 nan 8.190 nan 0.000 0.447 235 A N 4.349 127.188 122.820 0.033 0.000 2.258 235 A HA 0.845 5.165 4.320 -0.000 0.000 0.316 235 A C 0.217 177.818 177.584 0.027 0.000 1.279 235 A CA -0.283 51.778 52.037 0.040 0.000 0.876 235 A CB 0.993 20.020 19.000 0.046 0.000 1.170 235 A HN 1.252 nan 8.150 nan 0.000 0.520 236 A N 3.387 126.225 122.820 0.030 0.000 2.842 236 A HA 0.598 4.918 4.320 -0.000 0.000 0.339 236 A C 0.562 178.173 177.584 0.046 0.000 1.177 236 A CA 0.052 52.110 52.037 0.035 0.000 0.797 236 A CB -0.459 18.561 19.000 0.033 0.000 1.094 236 A HN 1.201 nan 8.150 nan 0.000 0.474 237 T N -1.401 113.181 114.554 0.047 0.000 2.726 237 T HA 0.476 4.826 4.350 -0.000 0.000 0.294 237 T C 1.563 176.294 174.700 0.051 0.000 1.013 237 T CA 0.110 62.239 62.100 0.049 0.000 0.996 237 T CB 0.931 69.826 68.868 0.044 0.000 1.016 237 T HN 1.084 nan 8.240 nan 0.000 0.529 238 A N 0.749 123.598 122.820 0.048 0.000 2.032 238 A HA -0.072 4.247 4.320 -0.000 0.000 0.221 238 A C 2.526 180.138 177.584 0.047 0.000 1.165 238 A CA 2.081 54.146 52.037 0.048 0.000 0.645 238 A CB -1.341 17.684 19.000 0.042 0.000 0.807 238 A HN 1.107 nan 8.150 nan 0.000 0.453 239 S N -0.838 114.888 115.700 0.044 0.000 2.486 239 S HA 0.108 4.577 4.470 -0.000 0.000 0.220 239 S C 0.571 175.199 174.600 0.048 0.000 1.011 239 S CA -0.201 58.023 58.200 0.041 0.000 0.921 239 S CB -0.142 63.078 63.200 0.034 0.000 0.785 239 S HN 0.608 nan 8.310 nan 0.000 0.517 240 E N 1.709 121.942 120.200 0.055 0.000 2.404 240 E HA 0.434 4.784 4.350 -0.000 0.000 0.261 240 E C 0.091 176.742 176.600 0.084 0.000 1.074 240 E CA -0.106 56.334 56.400 0.066 0.000 0.917 240 E CB 0.584 30.324 29.700 0.066 0.000 0.965 240 E HN 0.512 nan 8.360 nan 0.000 0.433 241 A N 2.069 124.947 122.820 0.098 0.000 2.567 241 A HA 0.145 4.465 4.320 -0.000 0.000 0.240 241 A C 1.319 178.995 177.584 0.153 0.000 1.053 241 A CA 0.689 52.794 52.037 0.113 0.000 0.755 241 A CB 0.282 19.355 19.000 0.122 0.000 0.978 241 A HN 0.802 nan 8.150 nan 0.000 0.507 242 A N 4.570 127.475 122.820 0.142 0.000 1.896 242 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 242 A C -0.035 177.724 177.584 0.292 0.000 1.206 242 A CA 2.301 54.448 52.037 0.184 0.000 0.647 242 A CB -1.844 17.245 19.000 0.148 0.000 0.828 242 A HN 0.651 nan 8.150 nan 0.000 0.455 243 P HA -0.148 nan 4.420 nan 0.000 0.217 243 P C 1.318 178.886 177.300 0.448 0.000 1.148 243 P CA 0.983 64.382 63.100 0.499 0.000 0.828 243 P CB -0.170 31.699 31.700 0.282 0.000 0.783 244 L N -1.169 120.274 121.223 0.367 0.000 2.141 244 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 244 L C 2.606 179.535 176.870 0.098 0.000 1.094 244 L CA 1.406 56.351 54.840 0.175 0.000 0.763 244 L CB -0.846 41.290 42.059 0.128 0.000 0.908 244 L HN 0.045 nan 8.230 nan 0.000 0.437 245 Q N -0.769 119.123 119.800 0.153 0.000 2.049 245 Q HA -0.218 4.122 4.340 -0.000 0.000 0.198 245 Q C 2.203 178.293 176.000 0.150 0.000 0.971 245 Q CA 1.665 57.545 55.803 0.129 0.000 0.833 245 Q CB -0.429 28.396 28.738 0.146 0.000 0.896 245 Q HN 0.559 nan 8.270 nan 0.000 0.434 246 Y N 1.290 121.683 120.300 0.155 0.000 2.315 246 Y HA -0.189 4.360 4.550 -0.000 0.000 0.288 246 Y C 1.779 177.802 175.900 0.206 0.000 1.154 246 Y CA 0.875 59.080 58.100 0.174 0.000 1.229 246 Y CB -0.251 38.373 38.460 0.272 0.000 0.980 246 Y HN 0.077 nan 8.280 nan 0.000 0.540 247 L N 0.950 122.012 121.223 -0.268 0.000 2.162 247 L HA 0.236 4.576 4.340 -0.000 0.000 0.205 247 L C 2.524 179.369 176.870 -0.042 0.000 1.086 247 L CA 1.633 56.345 54.840 -0.214 0.000 0.778 247 L CB -1.457 40.454 42.059 -0.246 0.000 0.928 247 L HN 0.264 nan 8.230 nan 0.000 0.446 248 A N 0.803 123.586 122.820 -0.062 0.000 1.896 248 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 248 A C 0.007 177.559 177.584 -0.053 0.000 1.206 248 A CA 2.561 54.570 52.037 -0.046 0.000 0.647 248 A CB -2.246 16.739 19.000 -0.025 0.000 0.828 248 A HN 0.451 nan 8.150 nan 0.000 0.455 249 P HA -0.088 nan 4.420 nan 0.000 0.218 249 P C 0.952 178.143 177.300 -0.181 0.000 1.149 249 P CA 0.932 63.914 63.100 -0.197 0.000 0.817 249 P CB -0.167 31.121 31.700 -0.686 0.000 0.785 250 F N -0.010 119.898 119.950 -0.070 0.000 2.146 250 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 250 F C 2.474 178.265 175.800 -0.016 0.000 1.096 250 F CA 1.846 59.808 58.000 -0.063 0.000 1.275 250 F CB -2.029 36.903 39.000 -0.114 0.000 1.008 250 F HN -0.009 nan 8.300 nan 0.000 0.480 251 T N -1.915 112.727 114.554 0.146 0.000 2.812 251 T HA -0.056 4.294 4.350 -0.000 0.000 0.264 251 T C 2.201 176.951 174.700 0.084 0.000 1.042 251 T CA 0.943 63.090 62.100 0.079 0.000 1.140 251 T CB -0.918 67.959 68.868 0.014 0.000 0.870 251 T HN 0.159 nan 8.240 nan 0.000 0.445 252 A N 1.813 124.683 122.820 0.084 0.000 2.019 252 A HA 0.336 4.656 4.320 -0.000 0.000 0.219 252 A C 2.781 180.441 177.584 0.127 0.000 1.164 252 A CA 1.758 53.849 52.037 0.090 0.000 0.644 252 A CB -1.336 17.707 19.000 0.071 0.000 0.805 252 A HN 0.770 nan 8.150 nan 0.000 0.449 253 A N -0.151 122.775 122.820 0.176 0.000 1.883 253 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 253 A C 2.450 180.132 177.584 0.163 0.000 1.186 253 A CA 2.162 54.316 52.037 0.195 0.000 0.624 253 A CB -0.968 18.160 19.000 0.214 0.000 0.822 253 A HN 0.489 nan 8.150 nan 0.000 0.444 254 S N -0.009 115.779 115.700 0.146 0.000 2.370 254 S HA -0.142 4.328 4.470 -0.000 0.000 0.226 254 S C 1.796 176.495 174.600 0.166 0.000 1.033 254 S CA 1.552 59.833 58.200 0.135 0.000 1.011 254 S CB -0.558 62.702 63.200 0.101 0.000 0.852 254 S HN 0.529 nan 8.310 nan 0.000 0.457 255 I N 1.645 122.307 120.570 0.154 0.000 2.226 255 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 255 I C 2.709 179.026 176.117 0.333 0.000 1.100 255 I CA 1.281 62.694 61.300 0.188 0.000 1.374 255 I CB -0.807 37.273 38.000 0.132 0.000 1.057 255 I HN 0.387 nan 8.210 nan 0.000 0.413 256 G N -0.054 108.904 108.800 0.263 0.000 2.408 256 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 256 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 256 G C 1.514 176.615 174.900 0.336 0.000 1.150 256 G CA 0.382 45.653 45.100 0.286 0.000 0.776 256 G HN 0.390 nan 8.290 nan 0.000 0.542 257 E N -0.660 119.688 120.200 0.246 0.000 2.160 257 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 257 E C 1.945 178.653 176.600 0.179 0.000 0.991 257 E CA 0.641 57.151 56.400 0.183 0.000 0.810 257 E CB -0.192 29.587 29.700 0.133 0.000 0.742 257 E HN 0.662 nan 8.360 nan 0.000 0.466 258 W N 0.724 122.052 121.300 0.046 0.000 2.317 258 W HA -0.264 4.396 4.660 -0.000 0.000 0.318 258 W C 1.702 178.130 176.519 -0.150 0.000 1.227 258 W CA 1.833 59.116 57.345 -0.103 0.000 1.269 258 W CB -0.518 28.797 29.460 -0.241 0.000 1.155 258 W HN -0.010 nan 8.180 nan 0.000 0.484 259 F N 0.272 120.378 119.950 0.259 0.000 2.095 259 F HA -0.248 4.279 4.527 -0.000 0.000 0.298 259 F C 2.769 178.502 175.800 -0.111 0.000 1.104 259 F CA 2.267 60.306 58.000 0.066 0.000 1.232 259 F CB -1.272 37.810 39.000 0.136 0.000 0.987 259 F HN -0.152 nan 8.300 nan 0.000 0.475 260 R N 0.829 121.419 120.500 0.151 0.000 2.096 260 R HA -0.203 4.136 4.340 -0.000 0.000 0.240 260 R C 1.794 178.040 176.300 -0.090 0.000 1.139 260 R CA 2.285 58.404 56.100 0.033 0.000 0.952 260 R CB -0.642 29.704 30.300 0.076 0.000 0.854 260 R HN 0.215 nan 8.270 nan 0.000 0.436 261 D N 0.467 120.776 120.400 -0.152 0.000 2.123 261 D HA -0.130 4.510 4.640 -0.000 0.000 0.196 261 D C 0.830 176.951 176.300 -0.298 0.000 0.992 261 D CA 1.046 54.916 54.000 -0.216 0.000 0.833 261 D CB -0.331 40.310 40.800 -0.265 0.000 0.954 261 D HN 0.302 nan 8.370 nan 0.000 0.455 262 N N -0.125 118.301 118.700 -0.458 0.000 2.346 262 N HA 0.134 4.874 4.740 -0.000 0.000 0.225 262 N C 1.014 176.336 175.510 -0.314 0.000 1.144 262 N CA 0.493 53.245 53.050 -0.496 0.000 0.837 262 N CB 1.080 39.011 38.487 -0.926 0.000 1.069 262 N HN 0.199 nan 8.380 nan 0.000 0.487 263 G N 0.594 109.250 108.800 -0.240 0.000 2.159 263 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.256 263 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.256 263 G C 0.269 175.009 174.900 -0.266 0.000 0.977 263 G CA 0.419 45.398 45.100 -0.201 0.000 0.652 263 G HN 0.345 nan 8.290 nan 0.000 0.531 264 K N -0.419 119.827 120.400 -0.255 0.000 2.393 264 K HA 0.781 5.101 4.320 -0.000 0.000 0.241 264 K C -0.054 176.334 176.600 -0.354 0.000 1.055 264 K CA -0.924 55.248 56.287 -0.191 0.000 0.951 264 K CB 0.878 33.476 32.500 0.163 0.000 1.285 264 K HN 0.312 nan 8.250 nan 0.000 0.500 265 H N -0.748 118.475 119.070 0.254 0.000 2.637 265 H HA 0.641 5.196 4.556 -0.000 0.000 0.363 265 H C -1.171 174.266 175.328 0.182 0.000 1.131 265 H CA -0.967 55.173 56.048 0.155 0.000 1.183 265 H CB 2.040 31.823 29.762 0.035 0.000 1.637 265 H HN 0.657 nan 8.280 nan 0.000 0.531 266 A N 2.293 125.240 122.820 0.211 0.000 2.435 266 A HA 0.538 4.858 4.320 -0.000 0.000 0.304 266 A C -1.446 176.160 177.584 0.036 0.000 1.064 266 A CA -0.666 51.412 52.037 0.069 0.000 0.727 266 A CB 1.896 20.915 19.000 0.033 0.000 1.284 266 A HN 0.455 nan 8.150 nan 0.000 0.415 267 L N 2.336 123.554 121.223 -0.010 0.000 2.325 267 L HA 0.754 5.094 4.340 -0.000 0.000 0.281 267 L C -1.009 175.815 176.870 -0.077 0.000 1.004 267 L CA -0.371 54.450 54.840 -0.032 0.000 0.823 267 L CB 1.075 43.123 42.059 -0.018 0.000 1.236 267 L HN 0.687 nan 8.230 nan 0.000 0.415 268 I N 5.246 125.727 120.570 -0.148 0.000 2.412 268 I HA 0.585 4.754 4.170 -0.000 0.000 0.296 268 I C -1.136 174.720 176.117 -0.435 0.000 0.987 268 I CA -0.662 60.451 61.300 -0.312 0.000 1.180 268 I CB 1.673 39.425 38.000 -0.414 0.000 1.340 268 I HN 0.416 nan 8.210 nan 0.000 0.455 269 V N 7.932 127.572 119.914 -0.456 0.000 2.378 269 V HA 0.299 4.419 4.120 -0.000 0.000 0.288 269 V C -1.166 174.577 176.094 -0.586 0.000 1.016 269 V CA -0.492 61.558 62.300 -0.416 0.000 0.840 269 V CB 1.171 32.892 31.823 -0.169 0.000 0.994 269 V HN 0.465 nan 8.190 nan 0.000 0.431 270 Y N 2.548 122.704 120.300 -0.240 0.000 2.518 270 Y HA 0.477 5.027 4.550 -0.000 0.000 0.344 270 Y C 0.309 176.048 175.900 -0.269 0.000 0.982 270 Y CA -1.039 56.898 58.100 -0.271 0.000 1.234 270 Y CB 0.718 39.035 38.460 -0.239 0.000 1.114 270 Y HN 0.530 nan 8.280 nan 0.000 0.515 271 D N 3.570 123.843 120.400 -0.212 0.000 2.438 271 D HA 0.215 4.854 4.640 -0.000 0.000 0.257 271 D C -1.298 174.946 176.300 -0.094 0.000 1.148 271 D CA -0.407 53.488 54.000 -0.175 0.000 0.902 271 D CB 0.345 40.983 40.800 -0.270 0.000 1.062 271 D HN 0.682 nan 8.370 nan 0.000 0.518 272 D N 0.406 120.778 120.400 -0.047 0.000 2.552 272 D HA 0.241 4.881 4.640 -0.000 0.000 0.239 272 D C 1.042 177.303 176.300 -0.065 0.000 1.139 272 D CA -0.743 53.226 54.000 -0.053 0.000 0.914 272 D CB 1.163 41.941 40.800 -0.036 0.000 1.461 272 D HN 0.057 nan 8.370 nan 0.000 0.462 273 L N 0.230 121.374 121.223 -0.131 0.000 2.217 273 L HA -0.071 4.269 4.340 -0.000 0.000 0.211 273 L C 1.956 178.780 176.870 -0.077 0.000 1.107 273 L CA 0.697 55.398 54.840 -0.231 0.000 0.783 273 L CB -0.467 41.235 42.059 -0.594 0.000 0.919 273 L HN 0.447 nan 8.230 nan 0.000 0.442 274 S N 0.226 115.905 115.700 -0.036 0.000 2.365 274 S HA -0.210 4.260 4.470 -0.000 0.000 0.225 274 S C 1.970 176.631 174.600 0.102 0.000 1.039 274 S CA 1.470 59.697 58.200 0.045 0.000 1.033 274 S CB -0.112 63.110 63.200 0.037 0.000 0.887 274 S HN 0.405 nan 8.310 nan 0.000 0.447 275 K N 0.811 121.255 120.400 0.074 0.000 2.103 275 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 275 K C 2.448 179.125 176.600 0.128 0.000 1.052 275 K CA 0.747 57.091 56.287 0.095 0.000 0.945 275 K CB -0.217 32.322 32.500 0.064 0.000 0.722 275 K HN 0.396 nan 8.250 nan 0.000 0.443 276 Q N 0.870 120.738 119.800 0.114 0.000 2.061 276 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 276 Q C 2.016 178.165 176.000 0.248 0.000 0.984 276 Q CA 1.731 57.629 55.803 0.158 0.000 0.846 276 Q CB -0.114 28.677 28.738 0.089 0.000 0.902 276 Q HN 0.319 nan 8.270 nan 0.000 0.421 277 A N -0.146 122.843 122.820 0.281 0.000 2.019 277 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 277 A C 2.149 179.994 177.584 0.435 0.000 1.164 277 A CA 1.366 53.589 52.037 0.310 0.000 0.644 277 A CB -0.460 18.651 19.000 0.184 0.000 0.805 277 A HN 0.308 nan 8.150 nan 0.000 0.449 278 V N -0.382 119.733 119.914 0.337 0.000 2.427 278 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 278 V C 2.975 179.165 176.094 0.160 0.000 1.051 278 V CA 1.780 64.215 62.300 0.225 0.000 1.048 278 V CB -1.094 30.823 31.823 0.157 0.000 0.666 278 V HN 0.600 nan 8.190 nan 0.000 0.456 279 A N -0.909 122.027 122.820 0.194 0.000 1.897 279 A HA -0.214 4.106 4.320 -0.000 0.000 0.215 279 A C 2.174 179.880 177.584 0.205 0.000 1.181 279 A CA 1.658 53.810 52.037 0.191 0.000 0.620 279 A CB -0.701 18.438 19.000 0.231 0.000 0.821 279 A HN 0.577 nan 8.150 nan 0.000 0.443 280 Y N 0.522 120.874 120.300 0.085 0.000 2.293 280 Y HA -0.133 4.417 4.550 -0.000 0.000 0.291 280 Y C 2.424 178.300 175.900 -0.039 0.000 1.137 280 Y CA 1.737 59.801 58.100 -0.060 0.000 1.202 280 Y CB -0.377 38.025 38.460 -0.097 0.000 0.990 280 Y HN 0.338 nan 8.280 nan 0.000 0.537 281 R N 0.204 120.688 120.500 -0.027 0.000 2.092 281 R HA -0.216 4.124 4.340 -0.000 0.000 0.231 281 R C 2.414 178.627 176.300 -0.145 0.000 1.119 281 R CA 1.659 57.685 56.100 -0.123 0.000 0.970 281 R CB -0.346 29.895 30.300 -0.098 0.000 0.864 281 R HN 0.534 nan 8.270 nan 0.000 0.440 282 Q N 0.569 120.326 119.800 -0.072 0.000 2.077 282 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 282 Q C 2.123 178.075 176.000 -0.080 0.000 0.989 282 Q CA 1.959 57.730 55.803 -0.054 0.000 0.853 282 Q CB -0.132 28.608 28.738 0.002 0.000 0.907 282 Q HN 0.444 nan 8.270 nan 0.000 0.418 283 L N 0.120 121.281 121.223 -0.104 0.000 2.017 283 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 283 L C 2.604 179.367 176.870 -0.179 0.000 1.073 283 L CA 1.507 56.272 54.840 -0.126 0.000 0.745 283 L CB -0.560 41.409 42.059 -0.149 0.000 0.894 283 L HN 0.276 nan 8.230 nan 0.000 0.432 284 S N 0.357 115.880 115.700 -0.294 0.000 2.359 284 S HA -0.183 4.287 4.470 -0.000 0.000 0.224 284 S C 1.940 176.447 174.600 -0.154 0.000 1.035 284 S CA 1.339 59.376 58.200 -0.273 0.000 1.018 284 S CB -0.444 62.542 63.200 -0.356 0.000 0.876 284 S HN 0.307 nan 8.310 nan 0.000 0.448 285 L N 0.613 121.756 121.223 -0.134 0.000 2.291 285 L HA 0.032 4.372 4.340 -0.000 0.000 0.214 285 L C 2.045 178.873 176.870 -0.071 0.000 1.120 285 L CA 0.694 55.478 54.840 -0.092 0.000 0.799 285 L CB -0.414 41.592 42.059 -0.089 0.000 0.925 285 L HN 0.266 nan 8.230 nan 0.000 0.446 286 L N -1.038 120.141 121.223 -0.072 0.000 2.249 286 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 286 L C 2.125 178.966 176.870 -0.049 0.000 1.090 286 L CA 0.539 55.348 54.840 -0.053 0.000 0.802 286 L CB -0.091 41.941 42.059 -0.045 0.000 0.947 286 L HN 0.217 nan 8.230 nan 0.000 0.453 287 L N -0.530 120.656 121.223 -0.061 0.000 2.478 287 L HA 0.012 4.352 4.340 -0.000 0.000 0.223 287 L C 0.865 177.708 176.870 -0.044 0.000 1.140 287 L CA 0.376 55.186 54.840 -0.050 0.000 0.842 287 L CB -0.119 41.904 42.059 -0.061 0.000 0.953 287 L HN 0.274 nan 8.230 nan 0.000 0.452 288 R N -1.044 119.426 120.500 -0.050 0.000 3.908 288 R HA -0.113 4.226 4.340 -0.000 0.000 0.381 288 R C -0.329 175.948 176.300 -0.039 0.000 1.135 288 R CA 0.193 56.269 56.100 -0.040 0.000 0.990 288 R CB -1.639 28.645 30.300 -0.028 0.000 1.557 288 R HN 0.261 nan 8.270 nan 0.000 0.535 289 R N 1.553 122.022 120.500 -0.051 0.000 2.489 289 R HA 0.124 4.464 4.340 -0.000 0.000 0.287 289 R C -2.141 174.136 176.300 -0.038 0.000 1.053 289 R CA -1.535 54.539 56.100 -0.043 0.000 1.036 289 R CB -0.126 30.137 30.300 -0.061 0.000 0.966 289 R HN -0.092 nan 8.270 nan 0.000 0.432 290 P HA -0.024 nan 4.420 nan 0.000 0.260 290 P C -2.140 175.153 177.300 -0.012 0.000 1.172 290 P CA -0.439 62.652 63.100 -0.015 0.000 0.760 290 P CB -0.025 31.672 31.700 -0.005 0.000 0.773 291 P HA 0.125 nan 4.420 nan 0.000 0.271 291 P C 0.319 177.619 177.300 -0.001 0.000 1.220 291 P CA 0.287 63.378 63.100 -0.016 0.000 0.768 291 P CB 1.048 32.728 31.700 -0.034 0.000 0.848 292 G N 2.908 111.725 108.800 0.027 0.000 3.019 292 G HA2 0.312 4.272 3.960 -0.000 0.000 0.152 292 G HA3 0.312 4.272 3.960 -0.000 0.000 0.152 292 G C -0.424 174.466 174.900 -0.017 0.000 1.320 292 G CA -0.868 44.238 45.100 0.011 0.000 1.013 292 G HN 0.536 nan 8.290 nan 0.000 0.593 293 R N 0.494 120.928 120.500 -0.109 0.000 2.523 293 R HA 0.036 4.376 4.340 -0.000 0.000 0.281 293 R C 0.218 176.531 176.300 0.021 0.000 0.969 293 R CA 1.052 57.028 56.100 -0.207 0.000 1.093 293 R CB -0.270 29.610 30.300 -0.700 0.000 0.917 293 R HN 0.694 nan 8.270 nan 0.000 0.408 294 E N 2.651 122.879 120.200 0.047 0.000 2.735 294 E HA -0.353 3.996 4.350 -0.000 0.000 0.261 294 E C 0.404 176.990 176.600 -0.024 0.000 1.137 294 E CA 0.560 57.023 56.400 0.106 0.000 0.754 294 E CB -1.107 28.790 29.700 0.329 0.000 1.352 294 E HN 0.880 nan 8.360 nan 0.000 0.430 295 A N -2.444 120.363 122.820 -0.022 0.000 3.153 295 A HA -0.314 4.006 4.320 -0.000 0.000 0.265 295 A C 0.155 177.692 177.584 -0.079 0.000 1.212 295 A CA 1.761 53.755 52.037 -0.073 0.000 1.018 295 A CB -2.044 16.883 19.000 -0.121 0.000 1.130 295 A HN 0.435 nan 8.150 nan 0.000 0.873 296 Y N 0.834 121.191 120.300 0.096 0.000 2.480 296 Y HA 0.395 4.945 4.550 -0.000 0.000 0.338 296 Y C -1.156 174.807 175.900 0.104 0.000 1.220 296 Y CA -0.846 57.332 58.100 0.129 0.000 1.430 296 Y CB 0.229 38.857 38.460 0.280 0.000 1.311 296 Y HN 0.274 nan 8.280 nan 0.000 0.575 297 P HA 0.024 nan 4.420 nan 0.000 0.274 297 P C 0.527 177.957 177.300 0.217 0.000 1.237 297 P CA 0.025 63.201 63.100 0.127 0.000 0.793 297 P CB 0.961 32.654 31.700 -0.011 0.000 0.977 298 G N 1.805 110.706 108.800 0.168 0.000 2.470 298 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 298 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 298 G C 0.733 175.768 174.900 0.226 0.000 1.121 298 G CA 0.640 45.854 45.100 0.190 0.000 0.766 298 G HN 0.610 nan 8.290 nan 0.000 0.553 299 D N 0.037 120.578 120.400 0.235 0.000 2.328 299 D HA 0.052 4.692 4.640 -0.000 0.000 0.221 299 D C 1.862 178.344 176.300 0.304 0.000 1.072 299 D CA -0.208 53.969 54.000 0.295 0.000 0.850 299 D CB -0.070 40.918 40.800 0.313 0.000 0.922 299 D HN 0.111 nan 8.370 nan 0.000 0.516 300 V N -0.207 119.860 119.914 0.254 0.000 2.759 300 V HA -0.129 3.991 4.120 -0.000 0.000 0.256 300 V C 1.667 177.687 176.094 -0.123 0.000 1.080 300 V CA 1.216 63.569 62.300 0.090 0.000 1.101 300 V CB -0.741 31.105 31.823 0.038 0.000 0.698 300 V HN 0.242 nan 8.190 nan 0.000 0.477 301 F N 0.008 119.895 119.950 -0.104 0.000 2.128 301 F HA -0.130 4.397 4.527 -0.000 0.000 0.295 301 F C 2.089 177.888 175.800 -0.001 0.000 1.100 301 F CA 2.050 59.993 58.000 -0.094 0.000 1.260 301 F CB -0.691 38.300 39.000 -0.015 0.000 1.009 301 F HN 0.332 nan 8.300 nan 0.000 0.476 302 Y N 0.760 120.945 120.300 -0.191 0.000 2.333 302 Y HA -0.149 4.401 4.550 -0.000 0.000 0.290 302 Y C 2.089 177.847 175.900 -0.237 0.000 1.144 302 Y CA 1.514 59.462 58.100 -0.253 0.000 1.228 302 Y CB -0.766 37.683 38.460 -0.017 0.000 0.985 302 Y HN 0.247 nan 8.280 nan 0.000 0.542 303 L N -0.202 120.807 121.223 -0.357 0.000 2.013 303 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 303 L C 2.163 178.878 176.870 -0.257 0.000 1.073 303 L CA 2.455 57.056 54.840 -0.399 0.000 0.753 303 L CB -0.742 40.990 42.059 -0.545 0.000 0.890 303 L HN 0.359 nan 8.230 nan 0.000 0.432 304 H N -1.779 117.101 119.070 -0.315 0.000 2.415 304 H HA -0.022 4.534 4.556 -0.000 0.000 0.297 304 H C 2.395 177.510 175.328 -0.355 0.000 1.048 304 H CA 0.792 56.638 56.048 -0.337 0.000 1.365 304 H CB 0.036 29.622 29.762 -0.294 0.000 1.421 304 H HN 0.536 nan 8.280 nan 0.000 0.533 305 S N 1.768 117.236 115.700 -0.386 0.000 2.356 305 S HA -0.251 4.218 4.470 -0.000 0.000 0.223 305 S C 2.137 176.612 174.600 -0.208 0.000 1.032 305 S CA 1.294 59.261 58.200 -0.388 0.000 1.005 305 S CB -0.327 62.435 63.200 -0.731 0.000 0.867 305 S HN 0.539 nan 8.310 nan 0.000 0.449 306 R N 1.112 121.453 120.500 -0.265 0.000 2.081 306 R HA 0.011 4.351 4.340 -0.000 0.000 0.235 306 R C 2.390 178.667 176.300 -0.038 0.000 1.131 306 R CA 1.415 57.406 56.100 -0.181 0.000 0.960 306 R CB -0.911 29.126 30.300 -0.439 0.000 0.856 306 R HN 0.444 nan 8.270 nan 0.000 0.436 307 L N 1.207 122.442 121.223 0.019 0.000 2.012 307 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 307 L C 2.210 179.049 176.870 -0.052 0.000 1.073 307 L CA 1.698 56.538 54.840 -0.001 0.000 0.748 307 L CB -0.262 41.574 42.059 -0.372 0.000 0.891 307 L HN 0.276 nan 8.230 nan 0.000 0.431 308 L N -1.012 120.162 121.223 -0.081 0.000 2.270 308 L HA -0.051 4.289 4.340 -0.000 0.000 0.210 308 L C 2.510 179.393 176.870 0.021 0.000 1.104 308 L CA 0.404 55.230 54.840 -0.022 0.000 0.804 308 L CB -0.532 41.498 42.059 -0.048 0.000 0.937 308 L HN 0.288 nan 8.230 nan 0.000 0.450 309 E N 0.657 120.862 120.200 0.008 0.000 2.171 309 E HA -0.257 4.092 4.350 -0.000 0.000 0.197 309 E C 2.029 178.657 176.600 0.045 0.000 0.997 309 E CA 1.162 57.579 56.400 0.029 0.000 0.810 309 E CB -0.114 29.602 29.700 0.027 0.000 0.738 309 E HN 0.488 nan 8.360 nan 0.000 0.467 310 R N 0.225 120.758 120.500 0.056 0.000 2.328 310 R HA 0.051 4.391 4.340 -0.000 0.000 0.207 310 R C 0.649 176.996 176.300 0.079 0.000 1.056 310 R CA 0.376 56.519 56.100 0.071 0.000 1.016 310 R CB 0.124 30.478 30.300 0.091 0.000 0.872 310 R HN -0.068 nan 8.270 nan 0.000 0.471 311 A N 1.073 123.939 122.820 0.076 0.000 2.252 311 A HA 0.707 5.027 4.320 -0.000 0.000 0.309 311 A C -0.416 177.201 177.584 0.055 0.000 1.285 311 A CA -0.272 51.808 52.037 0.070 0.000 0.900 311 A CB 0.696 19.740 19.000 0.073 0.000 1.157 311 A HN 0.238 nan 8.150 nan 0.000 0.536 312 A N 2.363 125.215 122.820 0.054 0.000 2.586 312 A HA 0.730 5.050 4.320 -0.000 0.000 0.290 312 A C -0.888 176.728 177.584 0.053 0.000 1.086 312 A CA -0.780 51.286 52.037 0.048 0.000 0.665 312 A CB 0.953 19.980 19.000 0.045 0.000 1.279 312 A HN 0.774 nan 8.150 nan 0.000 0.423 313 K N 1.148 121.577 120.400 0.049 0.000 2.253 313 K HA 0.641 4.961 4.320 -0.000 0.000 0.277 313 K C -1.015 175.620 176.600 0.058 0.000 1.053 313 K CA -0.129 56.193 56.287 0.059 0.000 0.892 313 K CB 0.035 32.566 32.500 0.050 0.000 1.102 313 K HN 0.558 nan 8.250 nan 0.000 0.469 314 L N 3.019 124.276 121.223 0.056 0.000 2.453 314 L HA 0.271 4.611 4.340 -0.000 0.000 0.261 314 L C 0.762 177.659 176.870 0.045 0.000 1.179 314 L CA -0.393 54.469 54.840 0.038 0.000 0.813 314 L CB 1.143 43.212 42.059 0.016 0.000 1.110 314 L HN 0.890 nan 8.230 nan 0.000 0.466 315 S N 0.089 115.807 115.700 0.031 0.000 2.633 315 S HA 0.080 4.549 4.470 -0.000 0.000 0.257 315 S C 0.847 175.462 174.600 0.025 0.000 1.265 315 S CA -0.461 57.757 58.200 0.030 0.000 0.980 315 S CB 0.641 63.851 63.200 0.018 0.000 1.017 315 S HN 0.674 nan 8.310 nan 0.000 0.577 316 E N 0.439 120.652 120.200 0.021 0.000 2.051 316 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 316 E C 2.031 178.631 176.600 0.000 0.000 0.991 316 E CA 1.200 57.608 56.400 0.014 0.000 0.799 316 E CB -0.188 29.517 29.700 0.009 0.000 0.748 316 E HN 0.709 nan 8.360 nan 0.000 0.449 317 K N 0.551 120.950 120.400 -0.002 0.000 2.209 317 K HA -0.177 4.143 4.320 -0.000 0.000 0.204 317 K C 1.777 178.367 176.600 -0.016 0.000 1.048 317 K CA 1.141 57.423 56.287 -0.009 0.000 0.940 317 K CB 0.253 32.749 32.500 -0.006 0.000 0.729 317 K HN -0.020 nan 8.250 nan 0.000 0.451 318 E N -1.610 118.580 120.200 -0.016 0.000 2.190 318 E HA 0.034 4.384 4.350 -0.000 0.000 0.191 318 E C 1.362 177.934 176.600 -0.046 0.000 0.978 318 E CA 1.204 57.587 56.400 -0.027 0.000 0.839 318 E CB 1.050 30.738 29.700 -0.019 0.000 0.787 318 E HN 0.541 nan 8.360 nan 0.000 0.473 319 G N -0.899 107.877 108.800 -0.040 0.000 3.751 319 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.216 319 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.216 319 G C 0.481 175.353 174.900 -0.047 0.000 0.911 319 G CA 0.215 45.277 45.100 -0.063 0.000 0.869 319 G HN 0.024 nan 8.290 nan 0.000 0.462 320 S N -0.591 115.101 115.700 -0.013 0.000 3.228 320 S HA -0.140 4.330 4.470 -0.000 0.000 0.282 320 S C 1.319 175.935 174.600 0.027 0.000 1.286 320 S CA 1.448 59.667 58.200 0.032 0.000 1.066 320 S CB -1.486 61.748 63.200 0.055 0.000 1.277 320 S HN 1.875 nan 8.310 nan 0.000 0.661 321 G N 1.090 109.855 108.800 -0.057 0.000 2.616 321 G HA2 0.578 4.538 3.960 -0.000 0.000 0.268 321 G HA3 0.578 4.538 3.960 -0.000 0.000 0.268 321 G C -0.135 174.806 174.900 0.068 0.000 1.213 321 G CA 0.377 45.400 45.100 -0.127 0.000 0.926 321 G HN 1.251 nan 8.290 nan 0.000 0.523 322 S N -1.145 114.658 115.700 0.171 0.000 2.541 322 S HA 0.575 5.045 4.470 -0.000 0.000 0.271 322 S C -1.481 173.212 174.600 0.155 0.000 1.133 322 S CA -0.816 57.503 58.200 0.198 0.000 0.876 322 S CB 1.977 65.323 63.200 0.244 0.000 1.105 322 S HN 0.779 nan 8.310 nan 0.000 0.470 323 L N 2.492 123.777 121.223 0.103 0.000 2.325 323 L HA 0.722 5.062 4.340 -0.000 0.000 0.281 323 L C -0.570 176.330 176.870 0.051 0.000 1.004 323 L CA 0.220 55.110 54.840 0.084 0.000 0.823 323 L CB 1.608 43.720 42.059 0.089 0.000 1.236 323 L HN 0.959 nan 8.230 nan 0.000 0.415 324 T N 4.396 118.964 114.554 0.024 0.000 2.797 324 T HA 0.809 5.159 4.350 -0.000 0.000 0.279 324 T C -0.329 174.356 174.700 -0.024 0.000 0.991 324 T CA -0.412 61.688 62.100 -0.001 0.000 0.979 324 T CB 1.407 70.262 68.868 -0.022 0.000 0.943 324 T HN 0.771 nan 8.240 nan 0.000 0.444 325 A N 3.557 126.370 122.820 -0.011 0.000 2.303 325 A HA 0.744 5.064 4.320 -0.000 0.000 0.320 325 A C -0.433 177.134 177.584 -0.028 0.000 1.192 325 A CA -0.706 51.312 52.037 -0.031 0.000 0.821 325 A CB 0.394 19.444 19.000 0.083 0.000 1.188 325 A HN 0.880 nan 8.150 nan 0.000 0.492 326 L N 5.183 126.357 121.223 -0.082 0.000 2.387 326 L HA 0.345 4.685 4.340 -0.000 0.000 0.259 326 L C -2.292 174.554 176.870 -0.040 0.000 1.050 326 L CA -1.705 53.107 54.840 -0.047 0.000 0.922 326 L CB 1.645 43.676 42.059 -0.046 0.000 1.280 326 L HN 0.503 nan 8.230 nan 0.000 0.449 327 P HA 0.289 nan 4.420 nan 0.000 0.284 327 P C -0.727 176.565 177.300 -0.014 0.000 1.258 327 P CA -0.368 62.760 63.100 0.047 0.000 0.824 327 P CB 2.426 34.148 31.700 0.037 0.000 1.038 328 V N 3.598 123.492 119.914 -0.034 0.000 2.604 328 V HA 0.425 4.545 4.120 -0.000 0.000 0.305 328 V C 0.076 176.140 176.094 -0.051 0.000 1.043 328 V CA -0.632 61.645 62.300 -0.037 0.000 0.888 328 V CB 1.920 33.724 31.823 -0.032 0.000 0.995 328 V HN 0.406 nan 8.190 nan 0.000 0.429 329 I N 3.124 123.675 120.570 -0.032 0.000 2.447 329 I HA 0.370 4.540 4.170 -0.000 0.000 0.287 329 I C 0.043 176.157 176.117 -0.005 0.000 1.023 329 I CA -0.462 60.825 61.300 -0.022 0.000 1.083 329 I CB 1.912 39.905 38.000 -0.011 0.000 1.245 329 I HN 0.792 nan 8.210 nan 0.000 0.434 330 E N 5.374 125.575 120.200 0.002 0.000 1.996 330 E HA 0.230 4.580 4.350 -0.000 0.000 0.280 330 E C 0.133 176.752 176.600 0.032 0.000 1.092 330 E CA -0.345 56.058 56.400 0.005 0.000 0.862 330 E CB 0.627 30.331 29.700 0.007 0.000 1.066 330 E HN 0.712 nan 8.360 nan 0.000 0.396 331 T N 1.991 116.569 114.554 0.040 0.000 2.754 331 T HA 0.194 4.544 4.350 -0.000 0.000 0.286 331 T C 0.076 174.810 174.700 0.057 0.000 0.997 331 T CA -0.762 61.381 62.100 0.071 0.000 0.982 331 T CB 1.130 70.070 68.868 0.120 0.000 1.027 331 T HN 0.351 nan 8.240 nan 0.000 0.529 332 Q N 0.110 119.951 119.800 0.068 0.000 2.310 332 Q HA 0.480 4.819 4.340 -0.000 0.000 0.270 332 Q C 0.687 176.721 176.000 0.057 0.000 1.025 332 Q CA -0.106 55.729 55.803 0.054 0.000 0.772 332 Q CB 1.447 30.219 28.738 0.056 0.000 1.253 332 Q HN 1.358 nan 8.270 nan 0.000 0.450 333 G N 1.491 110.318 108.800 0.046 0.000 2.249 333 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.273 333 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.273 333 G C 0.824 175.770 174.900 0.077 0.000 1.036 333 G CA 0.749 45.878 45.100 0.048 0.000 0.824 333 G HN 1.332 nan 8.290 nan 0.000 0.504 334 G N -0.789 108.078 108.800 0.112 0.000 2.180 334 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.263 334 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.263 334 G C 0.278 175.293 174.900 0.193 0.000 0.989 334 G CA 1.134 46.365 45.100 0.218 0.000 0.692 334 G HN 1.530 nan 8.290 nan 0.000 0.526 335 D N 0.331 120.803 120.400 0.121 0.000 2.393 335 D HA 0.409 5.049 4.640 -0.000 0.000 0.232 335 D C 1.704 178.053 176.300 0.082 0.000 1.192 335 D CA 0.221 54.267 54.000 0.077 0.000 0.882 335 D CB 0.891 41.728 40.800 0.061 0.000 1.038 335 D HN 0.560 nan 8.370 nan 0.000 0.499 336 V N 1.397 121.337 119.914 0.044 0.000 3.461 336 V HA 0.026 4.146 4.120 -0.000 0.000 0.267 336 V C 1.327 177.439 176.094 0.031 0.000 1.186 336 V CA 0.715 63.038 62.300 0.037 0.000 1.154 336 V CB -0.254 31.536 31.823 -0.055 0.000 0.802 336 V HN 0.360 nan 8.190 nan 0.000 0.474 337 S N 1.301 117.018 115.700 0.028 0.000 2.603 337 S HA 0.500 4.970 4.470 -0.000 0.000 0.220 337 S C 1.223 175.864 174.600 0.068 0.000 0.967 337 S CA 0.436 58.657 58.200 0.036 0.000 0.920 337 S CB -0.318 62.895 63.200 0.021 0.000 0.773 337 S HN 0.930 nan 8.310 nan 0.000 0.529 338 A N 0.936 123.807 122.820 0.085 0.000 2.346 338 A HA 0.348 4.668 4.320 -0.000 0.000 0.255 338 A C 0.968 178.656 177.584 0.173 0.000 1.113 338 A CA -0.185 51.927 52.037 0.125 0.000 0.798 338 A CB -0.184 18.890 19.000 0.123 0.000 1.073 338 A HN 0.282 nan 8.150 nan 0.000 0.502 339 Y N 0.241 120.567 120.300 0.043 0.000 2.133 339 Y HA -0.165 4.385 4.550 -0.000 0.000 0.287 339 Y C 1.896 177.787 175.900 -0.015 0.000 1.134 339 Y CA 1.905 60.016 58.100 0.018 0.000 1.133 339 Y CB -0.150 38.334 38.460 0.039 0.000 0.987 339 Y HN 0.450 nan 8.280 nan 0.000 0.502 340 I N 0.519 121.021 120.570 -0.113 0.000 2.233 340 I HA -0.129 4.041 4.170 -0.000 0.000 0.243 340 I C -0.405 175.677 176.117 -0.058 0.000 1.093 340 I CA 0.996 62.170 61.300 -0.210 0.000 1.380 340 I CB -2.722 35.165 38.000 -0.188 0.000 1.067 340 I HN 0.114 nan 8.210 nan 0.000 0.413 341 P HA -0.173 nan 4.420 nan 0.000 0.216 341 P C 1.862 179.184 177.300 0.035 0.000 1.157 341 P CA 2.638 65.758 63.100 0.033 0.000 0.880 341 P CB -0.309 31.428 31.700 0.062 0.000 0.791 342 T N -4.108 110.473 114.554 0.044 0.000 2.867 342 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 342 T C 1.730 176.463 174.700 0.054 0.000 1.057 342 T CA 1.217 63.347 62.100 0.051 0.000 1.136 342 T CB -1.073 67.836 68.868 0.068 0.000 0.874 342 T HN -0.056 nan 8.240 nan 0.000 0.466 343 N N 1.468 120.188 118.700 0.032 0.000 2.043 343 N HA -0.055 4.685 4.740 -0.000 0.000 0.193 343 N C 1.957 177.574 175.510 0.178 0.000 1.037 343 N CA 1.398 54.517 53.050 0.115 0.000 0.851 343 N CB -0.903 37.602 38.487 0.030 0.000 1.027 343 N HN 0.332 nan 8.380 nan 0.000 0.422 344 V N 1.464 121.431 119.914 0.087 0.000 2.358 344 V HA -0.109 4.011 4.120 -0.000 0.000 0.246 344 V C 2.241 178.367 176.094 0.053 0.000 1.047 344 V CA 0.940 63.266 62.300 0.045 0.000 1.035 344 V CB -0.424 31.372 31.823 -0.045 0.000 0.658 344 V HN 0.253 nan 8.190 nan 0.000 0.452 345 I N 1.284 121.887 120.570 0.054 0.000 2.194 345 I HA -0.250 3.920 4.170 -0.000 0.000 0.246 345 I C 2.232 178.390 176.117 0.069 0.000 1.093 345 I CA 2.133 63.465 61.300 0.053 0.000 1.355 345 I CB -0.408 37.618 38.000 0.044 0.000 1.046 345 I HN 0.494 nan 8.210 nan 0.000 0.413 346 S N -0.354 115.404 115.700 0.097 0.000 2.803 346 S HA 0.217 4.686 4.470 -0.000 0.000 0.228 346 S C 1.122 175.831 174.600 0.181 0.000 0.953 346 S CA -0.055 58.217 58.200 0.120 0.000 0.983 346 S CB -0.358 62.904 63.200 0.104 0.000 0.784 346 S HN 0.418 nan 8.310 nan 0.000 0.498 347 I N 0.692 121.343 120.570 0.136 0.000 3.873 347 I HA 0.101 4.271 4.170 -0.000 0.000 0.284 347 I C 1.147 177.299 176.117 0.059 0.000 1.186 347 I CA 0.355 61.715 61.300 0.100 0.000 1.362 347 I CB 0.096 38.120 38.000 0.039 0.000 1.432 347 I HN 0.368 nan 8.210 nan 0.000 0.454 348 T N -1.067 113.515 114.554 0.046 0.000 2.868 348 T HA 0.106 4.456 4.350 -0.000 0.000 0.292 348 T C 0.122 174.846 174.700 0.041 0.000 1.028 348 T CA -0.448 61.673 62.100 0.036 0.000 1.059 348 T CB 0.712 69.597 68.868 0.027 0.000 0.991 348 T HN 0.041 nan 8.240 nan 0.000 0.531 349 D N 1.266 121.688 120.400 0.036 0.000 3.060 349 D HA 0.426 5.066 4.640 -0.000 0.000 0.245 349 D C 0.936 177.255 176.300 0.033 0.000 1.274 349 D CA 0.208 54.229 54.000 0.035 0.000 0.864 349 D CB -0.575 40.243 40.800 0.031 0.000 1.073 349 D HN 1.069 nan 8.370 nan 0.000 0.473 350 G N 0.925 109.746 108.800 0.036 0.000 2.428 350 G HA2 0.116 4.076 3.960 -0.000 0.000 0.681 350 G HA3 0.116 4.076 3.960 -0.000 0.000 0.681 350 G C -1.508 173.418 174.900 0.043 0.000 1.340 350 G CA -1.137 43.986 45.100 0.038 0.000 0.915 350 G HN 0.124 nan 8.290 nan 0.000 0.645 351 Q N -0.657 119.175 119.800 0.054 0.000 2.423 351 Q HA 0.796 5.136 4.340 -0.000 0.000 0.278 351 Q C -0.345 175.708 176.000 0.088 0.000 1.097 351 Q CA -0.768 55.077 55.803 0.070 0.000 0.809 351 Q CB 2.439 31.229 28.738 0.086 0.000 1.391 351 Q HN 0.666 nan 8.270 nan 0.000 0.428 352 I N 1.962 122.586 120.570 0.091 0.000 2.359 352 I HA 0.325 4.495 4.170 -0.000 0.000 0.284 352 I C -1.094 175.103 176.117 0.133 0.000 1.018 352 I CA -0.686 60.673 61.300 0.099 0.000 1.173 352 I CB 0.591 38.625 38.000 0.056 0.000 1.326 352 I HN 0.538 nan 8.210 nan 0.000 0.462 353 F N 8.008 127.973 119.950 0.024 0.000 2.404 353 F HA 0.450 4.977 4.527 -0.000 0.000 0.358 353 F C -0.567 175.252 175.800 0.031 0.000 1.120 353 F CA -0.456 57.558 58.000 0.023 0.000 1.144 353 F CB 0.613 39.627 39.000 0.025 0.000 1.133 353 F HN 0.249 nan 8.300 nan 0.000 0.495 354 L N 6.475 127.335 121.223 -0.606 0.000 2.272 354 L HA 0.297 4.637 4.340 -0.000 0.000 0.284 354 L C 0.144 176.599 176.870 -0.692 0.000 1.045 354 L CA -0.316 54.251 54.840 -0.454 0.000 0.842 354 L CB 0.839 42.745 42.059 -0.256 0.000 1.224 354 L HN 0.585 nan 8.230 nan 0.000 0.430 355 E N 1.768 121.697 120.200 -0.452 0.000 2.360 355 E HA 0.171 4.521 4.350 -0.000 0.000 0.269 355 E C 0.796 177.366 176.600 -0.049 0.000 1.022 355 E CA 0.085 56.356 56.400 -0.216 0.000 0.887 355 E CB 1.585 31.359 29.700 0.123 0.000 0.990 355 E HN 0.712 nan 8.360 nan 0.000 0.426 356 A N 4.658 127.464 122.820 -0.024 0.000 1.930 356 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 356 A C 1.880 179.573 177.584 0.182 0.000 1.175 356 A CA 1.417 53.486 52.037 0.053 0.000 0.627 356 A CB -0.247 18.759 19.000 0.010 0.000 0.815 356 A HN 0.849 nan 8.150 nan 0.000 0.443 357 E N -0.374 119.920 120.200 0.156 0.000 2.274 357 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 357 E C 1.818 178.542 176.600 0.206 0.000 0.996 357 E CA 0.424 56.944 56.400 0.200 0.000 0.840 357 E CB -0.085 29.701 29.700 0.144 0.000 0.772 357 E HN 0.669 nan 8.360 nan 0.000 0.491 358 L N -0.253 121.072 121.223 0.170 0.000 2.068 358 L HA -0.105 4.235 4.340 -0.000 0.000 0.204 358 L C 2.346 179.301 176.870 0.141 0.000 1.076 358 L CA 0.711 55.632 54.840 0.135 0.000 0.753 358 L CB -0.429 41.702 42.059 0.121 0.000 0.910 358 L HN 0.171 nan 8.230 nan 0.000 0.439 359 F N 0.017 119.993 119.950 0.044 0.000 2.095 359 F HA -0.342 4.185 4.527 -0.000 0.000 0.298 359 F C 2.634 178.477 175.800 0.071 0.000 1.104 359 F CA 1.745 59.767 58.000 0.036 0.000 1.232 359 F CB -0.399 38.613 39.000 0.020 0.000 0.987 359 F HN 0.032 nan 8.300 nan 0.000 0.475 360 Y N 1.358 121.771 120.300 0.189 0.000 2.207 360 Y HA -0.220 4.330 4.550 -0.000 0.000 0.287 360 Y C 2.219 178.115 175.900 -0.006 0.000 1.156 360 Y CA 1.920 60.075 58.100 0.092 0.000 1.182 360 Y CB -0.619 37.905 38.460 0.106 0.000 0.979 360 Y HN 0.032 nan 8.280 nan 0.000 0.521 361 K N -0.867 119.441 120.400 -0.154 0.000 2.097 361 K HA -0.005 4.314 4.320 -0.000 0.000 0.206 361 K C 1.526 177.983 176.600 -0.239 0.000 1.049 361 K CA 1.260 57.405 56.287 -0.236 0.000 0.933 361 K CB -0.380 32.077 32.500 -0.071 0.000 0.717 361 K HN 0.564 nan 8.250 nan 0.000 0.442 362 G N 0.527 109.189 108.800 -0.230 0.000 2.227 362 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.168 362 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.168 362 G C 0.104 174.894 174.900 -0.182 0.000 1.006 362 G CA -0.491 44.465 45.100 -0.239 0.000 0.684 362 G HN 0.136 nan 8.290 nan 0.000 0.489 363 I N 2.242 122.741 120.570 -0.119 0.000 2.372 363 I HA 0.326 4.495 4.170 -0.000 0.000 0.298 363 I C 0.591 176.673 176.117 -0.058 0.000 1.137 363 I CA 0.272 61.540 61.300 -0.054 0.000 1.314 363 I CB 0.109 38.114 38.000 0.009 0.000 1.444 363 I HN 0.039 nan 8.210 nan 0.000 0.541 364 R N 6.631 127.086 120.500 -0.075 0.000 2.502 364 R HA 0.440 4.780 4.340 -0.000 0.000 0.300 364 R C -2.687 173.608 176.300 -0.008 0.000 0.984 364 R CA -1.846 54.222 56.100 -0.053 0.000 0.882 364 R CB 1.776 31.965 30.300 -0.184 0.000 1.180 364 R HN 0.198 nan 8.270 nan 0.000 0.444 365 P HA 0.029 nan 4.420 nan 0.000 0.269 365 P C -0.492 176.861 177.300 0.088 0.000 1.215 365 P CA -0.166 62.979 63.100 0.076 0.000 0.780 365 P CB 0.811 32.543 31.700 0.053 0.000 0.898 366 A N 3.596 126.499 122.820 0.138 0.000 3.258 366 A HA 0.247 4.567 4.320 -0.000 0.000 0.275 366 A C 0.378 178.005 177.584 0.072 0.000 1.452 366 A CA -0.398 51.713 52.037 0.124 0.000 1.120 366 A CB -1.282 17.846 19.000 0.213 0.000 1.107 366 A HN 0.466 nan 8.150 nan 0.000 0.651 367 I N 1.652 122.268 120.570 0.076 0.000 2.421 367 I HA 0.002 4.172 4.170 -0.000 0.000 0.291 367 I C 0.612 176.806 176.117 0.128 0.000 1.089 367 I CA -0.266 61.087 61.300 0.088 0.000 1.354 367 I CB 0.288 38.338 38.000 0.084 0.000 1.413 367 I HN 0.450 nan 8.210 nan 0.000 0.513 368 N N 6.652 125.467 118.700 0.191 0.000 2.406 368 N HA 0.023 4.763 4.740 -0.000 0.000 0.265 368 N C 0.912 176.533 175.510 0.184 0.000 1.203 368 N CA -0.015 53.174 53.050 0.231 0.000 0.945 368 N CB 1.314 40.045 38.487 0.406 0.000 1.165 368 N HN 0.429 nan 8.380 nan 0.000 0.485 369 V N 4.611 124.604 119.914 0.132 0.000 2.255 369 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 369 V C 2.500 178.645 176.094 0.085 0.000 1.051 369 V CA 2.329 64.692 62.300 0.105 0.000 1.018 369 V CB -1.099 30.782 31.823 0.097 0.000 0.641 369 V HN 0.807 nan 8.190 nan 0.000 0.445 370 G N -0.425 108.416 108.800 0.068 0.000 2.505 370 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.220 370 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.220 370 G C 1.590 176.501 174.900 0.017 0.000 1.145 370 G CA 1.340 46.462 45.100 0.035 0.000 0.761 370 G HN 0.484 nan 8.290 nan 0.000 0.571 371 L N 0.437 121.670 121.223 0.016 0.000 2.270 371 L HA 0.143 4.483 4.340 -0.000 0.000 0.210 371 L C 1.193 178.086 176.870 0.038 0.000 1.104 371 L CA -0.100 54.716 54.840 -0.040 0.000 0.804 371 L CB -0.036 41.879 42.059 -0.241 0.000 0.937 371 L HN 0.040 nan 8.230 nan 0.000 0.450 372 S N -0.397 115.366 115.700 0.105 0.000 2.565 372 S HA 0.400 4.870 4.470 -0.000 0.000 0.276 372 S C -0.356 174.285 174.600 0.069 0.000 1.326 372 S CA -0.220 58.044 58.200 0.107 0.000 1.045 372 S CB 2.163 65.437 63.200 0.125 0.000 0.918 372 S HN 0.011 nan 8.310 nan 0.000 0.505 373 V N 1.892 121.843 119.914 0.061 0.000 3.077 373 V HA 0.596 4.715 4.120 -0.000 0.000 0.299 373 V C -1.112 175.008 176.094 0.044 0.000 1.276 373 V CA -0.558 61.770 62.300 0.048 0.000 0.993 373 V CB 2.594 34.439 31.823 0.038 0.000 1.076 373 V HN 0.765 nan 8.190 nan 0.000 0.434 374 S N 4.784 120.507 115.700 0.039 0.000 2.601 374 S HA 0.472 4.942 4.470 -0.000 0.000 0.312 374 S C 0.928 175.546 174.600 0.030 0.000 1.107 374 S CA -0.599 57.621 58.200 0.033 0.000 1.129 374 S CB 0.799 64.017 63.200 0.030 0.000 0.982 374 S HN 0.754 nan 8.310 nan 0.000 0.469 375 R N 2.117 122.634 120.500 0.029 0.000 2.081 375 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 375 R C 1.413 177.729 176.300 0.026 0.000 1.131 375 R CA 1.859 57.976 56.100 0.028 0.000 0.960 375 R CB -0.314 30.004 30.300 0.030 0.000 0.856 375 R HN 0.621 nan 8.270 nan 0.000 0.436 376 V N -3.425 116.504 119.914 0.024 0.000 3.006 376 V HA 0.413 4.533 4.120 -0.000 0.000 0.357 376 V C 1.132 177.237 176.094 0.018 0.000 1.377 376 V CA 0.328 62.641 62.300 0.023 0.000 1.198 376 V CB 0.664 32.501 31.823 0.024 0.000 1.216 376 V HN 0.219 nan 8.190 nan 0.000 0.520 377 G N 0.668 109.479 108.800 0.018 0.000 2.453 377 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.215 377 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.215 377 G C 1.471 176.379 174.900 0.014 0.000 1.147 377 G CA 1.089 46.197 45.100 0.013 0.000 0.802 377 G HN 0.494 nan 8.290 nan 0.000 0.535 378 S N 1.087 116.800 115.700 0.021 0.000 2.359 378 S HA -0.057 4.412 4.470 -0.000 0.000 0.224 378 S C 2.521 177.135 174.600 0.023 0.000 1.035 378 S CA 1.191 59.405 58.200 0.023 0.000 1.018 378 S CB -0.294 62.922 63.200 0.025 0.000 0.876 378 S HN 0.518 nan 8.310 nan 0.000 0.448 379 A N -0.068 122.768 122.820 0.027 0.000 2.252 379 A HA 0.535 4.855 4.320 -0.000 0.000 0.207 379 A C 1.646 179.255 177.584 0.042 0.000 1.194 379 A CA 0.954 53.013 52.037 0.036 0.000 0.809 379 A CB -0.386 18.639 19.000 0.041 0.000 0.814 379 A HN 0.464 nan 8.150 nan 0.000 0.482 380 A N -1.412 121.418 122.820 0.017 0.000 2.211 380 A HA 0.257 4.577 4.320 -0.000 0.000 0.208 380 A C 1.018 178.585 177.584 -0.028 0.000 1.250 380 A CA 0.086 52.114 52.037 -0.015 0.000 0.935 380 A CB -0.176 18.799 19.000 -0.041 0.000 0.982 380 A HN 0.503 nan 8.150 nan 0.000 0.490 381 Q N 1.101 120.897 119.800 -0.007 0.000 2.300 381 Q HA 0.308 4.648 4.340 -0.000 0.000 0.280 381 Q C -0.645 175.357 176.000 0.003 0.000 1.033 381 Q CA -0.149 55.654 55.803 -0.001 0.000 0.903 381 Q CB 0.628 29.375 28.738 0.015 0.000 1.195 381 Q HN 0.203 nan 8.270 nan 0.000 0.386 382 V N 5.619 125.533 119.914 0.001 0.000 2.584 382 V HA -0.145 3.975 4.120 -0.000 0.000 0.303 382 V C 1.183 177.293 176.094 0.026 0.000 1.035 382 V CA 0.888 63.195 62.300 0.012 0.000 1.172 382 V CB 0.429 32.265 31.823 0.022 0.000 0.896 382 V HN 0.885 nan 8.190 nan 0.000 0.486 383 K N 3.578 123.994 120.400 0.026 0.000 2.515 383 K HA -0.052 4.268 4.320 -0.000 0.000 0.196 383 K C 1.990 178.613 176.600 0.038 0.000 1.038 383 K CA 1.016 57.322 56.287 0.031 0.000 0.967 383 K CB -0.040 32.477 32.500 0.028 0.000 0.780 383 K HN 0.859 nan 8.250 nan 0.000 0.483 384 A N 0.907 123.752 122.820 0.041 0.000 1.872 384 A HA -0.098 4.222 4.320 -0.000 0.000 0.214 384 A C 1.983 179.605 177.584 0.063 0.000 1.187 384 A CA 0.965 53.032 52.037 0.050 0.000 0.614 384 A CB -0.435 18.593 19.000 0.046 0.000 0.826 384 A HN 0.189 nan 8.150 nan 0.000 0.442 385 L N -0.533 120.726 121.223 0.059 0.000 2.046 385 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 385 L C 2.654 179.560 176.870 0.059 0.000 1.077 385 L CA 2.000 56.878 54.840 0.064 0.000 0.747 385 L CB -0.319 41.775 42.059 0.057 0.000 0.896 385 L HN 0.486 nan 8.230 nan 0.000 0.432 386 K N -0.345 120.084 120.400 0.049 0.000 2.113 386 K HA -0.257 4.063 4.320 -0.000 0.000 0.208 386 K C 2.089 178.717 176.600 0.046 0.000 1.047 386 K CA 1.635 57.948 56.287 0.043 0.000 0.928 386 K CB 0.026 32.548 32.500 0.036 0.000 0.716 386 K HN 0.376 nan 8.250 nan 0.000 0.446 387 Q N -0.176 119.656 119.800 0.053 0.000 2.049 387 Q HA -0.105 4.235 4.340 -0.000 0.000 0.198 387 Q C 2.154 178.197 176.000 0.071 0.000 0.971 387 Q CA 1.650 57.488 55.803 0.059 0.000 0.833 387 Q CB 0.068 28.845 28.738 0.065 0.000 0.896 387 Q HN 0.371 nan 8.270 nan 0.000 0.434 388 V N -2.128 117.845 119.914 0.098 0.000 2.667 388 V HA 0.061 4.181 4.120 -0.000 0.000 0.252 388 V C 1.398 177.527 176.094 0.057 0.000 1.065 388 V CA 1.382 63.754 62.300 0.121 0.000 1.083 388 V CB -0.628 31.312 31.823 0.194 0.000 0.692 388 V HN 0.204 nan 8.190 nan 0.000 0.468 389 A N 1.140 123.991 122.820 0.051 0.000 3.012 389 A HA 0.662 4.982 4.320 -0.000 0.000 0.295 389 A C 1.066 178.666 177.584 0.025 0.000 1.338 389 A CA 0.285 52.342 52.037 0.034 0.000 0.981 389 A CB -1.114 17.915 19.000 0.048 0.000 1.091 389 A HN 0.700 nan 8.150 nan 0.000 0.602 390 G N -0.330 108.477 108.800 0.011 0.000 2.367 390 G HA2 0.405 4.365 3.960 -0.000 0.000 0.282 390 G HA3 0.405 4.365 3.960 -0.000 0.000 0.282 390 G C 0.638 175.538 174.900 0.001 0.000 1.140 390 G CA 0.633 45.737 45.100 0.008 0.000 1.088 390 G HN 0.900 nan 8.290 nan 0.000 0.431 391 S N 0.542 116.258 115.700 0.026 0.000 3.586 391 S HA -0.214 4.256 4.470 -0.000 0.000 0.309 391 S C 1.457 176.107 174.600 0.083 0.000 1.195 391 S CA 0.677 58.907 58.200 0.050 0.000 0.895 391 S CB -1.435 61.789 63.200 0.040 0.000 0.983 391 S HN 0.819 nan 8.310 nan 0.000 0.563 392 L N 1.801 123.066 121.223 0.069 0.000 2.056 392 L HA 0.116 4.456 4.340 -0.000 0.000 0.207 392 L C 2.107 179.073 176.870 0.161 0.000 1.078 392 L CA 2.631 57.535 54.840 0.106 0.000 0.749 392 L CB -0.513 41.584 42.059 0.064 0.000 0.901 392 L HN 0.395 nan 8.230 nan 0.000 0.433 393 K N -0.499 119.969 120.400 0.114 0.000 2.009 393 K HA -0.171 4.149 4.320 -0.000 0.000 0.210 393 K C 2.089 178.755 176.600 0.110 0.000 1.049 393 K CA 2.018 58.367 56.287 0.103 0.000 0.929 393 K CB -0.317 32.229 32.500 0.077 0.000 0.714 393 K HN 0.416 nan 8.250 nan 0.000 0.440 394 L N 0.304 121.593 121.223 0.111 0.000 2.275 394 L HA -0.109 4.231 4.340 -0.000 0.000 0.215 394 L C 2.260 179.211 176.870 0.135 0.000 1.119 394 L CA 0.506 55.406 54.840 0.101 0.000 0.790 394 L CB -0.281 41.828 42.059 0.085 0.000 0.919 394 L HN 0.245 nan 8.230 nan 0.000 0.443 395 F N 0.445 120.416 119.950 0.036 0.000 2.206 395 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 395 F C 2.060 177.916 175.800 0.093 0.000 1.090 395 F CA 1.257 59.284 58.000 0.045 0.000 1.323 395 F CB -0.036 38.972 39.000 0.014 0.000 1.028 395 F HN -0.133 nan 8.300 nan 0.000 0.492 396 L N -0.055 121.201 121.223 0.055 0.000 2.201 396 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 396 L C 2.669 179.567 176.870 0.047 0.000 1.105 396 L CA 0.981 55.846 54.840 0.041 0.000 0.775 396 L CB -1.037 41.095 42.059 0.120 0.000 0.913 396 L HN 0.248 nan 8.230 nan 0.000 0.440 397 A N -1.119 121.715 122.820 0.023 0.000 2.014 397 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 397 A C 2.184 179.747 177.584 -0.036 0.000 1.163 397 A CA 0.965 53.008 52.037 0.011 0.000 0.652 397 A CB -0.104 18.910 19.000 0.024 0.000 0.808 397 A HN 0.353 nan 8.150 nan 0.000 0.449 398 Q N -2.240 117.509 119.800 -0.084 0.000 2.396 398 Q HA 0.021 4.361 4.340 -0.000 0.000 0.209 398 Q C 1.628 177.513 176.000 -0.193 0.000 0.906 398 Q CA 0.596 56.328 55.803 -0.118 0.000 0.927 398 Q CB -0.078 28.608 28.738 -0.086 0.000 1.069 398 Q HN 0.880 nan 8.270 nan 0.000 0.523 399 Y N 1.263 121.308 120.300 -0.426 0.000 2.163 399 Y HA -0.092 4.458 4.550 -0.000 0.000 0.288 399 Y C 2.188 177.981 175.900 -0.177 0.000 1.136 399 Y CA 1.570 59.419 58.100 -0.418 0.000 1.147 399 Y CB -0.043 38.076 38.460 -0.569 0.000 0.987 399 Y HN -0.126 nan 8.280 nan 0.000 0.509 400 R N 0.294 120.501 120.500 -0.488 0.000 2.148 400 R HA -0.090 4.249 4.340 -0.000 0.000 0.223 400 R C 2.154 178.303 176.300 -0.250 0.000 1.088 400 R CA 1.245 57.046 56.100 -0.499 0.000 0.985 400 R CB -0.086 30.102 30.300 -0.188 0.000 0.880 400 R HN 0.535 nan 8.270 nan 0.000 0.451 401 E N -0.328 119.788 120.200 -0.141 0.000 2.110 401 E HA -0.153 4.196 4.350 -0.000 0.000 0.193 401 E C 1.759 178.380 176.600 0.035 0.000 0.988 401 E CA 1.265 57.652 56.400 -0.022 0.000 0.804 401 E CB 0.199 29.889 29.700 -0.018 0.000 0.745 401 E HN 0.131 nan 8.360 nan 0.000 0.458 402 V N 0.761 120.621 119.914 -0.091 0.000 2.788 402 V HA -0.091 4.029 4.120 -0.000 0.000 0.251 402 V C 2.135 178.192 176.094 -0.062 0.000 1.068 402 V CA 1.318 63.585 62.300 -0.055 0.000 1.090 402 V CB -0.149 31.619 31.823 -0.090 0.000 0.710 402 V HN 0.253 nan 8.190 nan 0.000 0.467 403 A N 0.070 122.736 122.820 -0.258 0.000 2.067 403 A HA 0.038 4.357 4.320 -0.000 0.000 0.219 403 A C 2.264 179.776 177.584 -0.120 0.000 1.158 403 A CA 1.702 53.574 52.037 -0.275 0.000 0.661 403 A CB -0.358 18.280 19.000 -0.603 0.000 0.801 403 A HN 0.536 nan 8.150 nan 0.000 0.452 404 A N -2.067 120.709 122.820 -0.074 0.000 2.081 404 A HA 0.309 4.629 4.320 -0.000 0.000 0.214 404 A C 1.595 179.120 177.584 -0.098 0.000 1.158 404 A CA 0.420 52.408 52.037 -0.081 0.000 0.724 404 A CB -0.455 18.483 19.000 -0.104 0.000 0.826 404 A HN 0.417 nan 8.150 nan 0.000 0.463 405 F N -0.249 119.655 119.950 -0.075 0.000 2.710 405 F HA 0.148 4.675 4.527 -0.000 0.000 0.298 405 F C 2.341 178.117 175.800 -0.040 0.000 1.137 405 F CA 0.711 58.680 58.000 -0.052 0.000 1.444 405 F CB 0.229 39.199 39.000 -0.050 0.000 1.111 405 F HN 0.273 nan 8.300 nan 0.000 0.580 406 A N -1.077 121.801 122.820 0.097 0.000 2.123 406 A HA 0.074 4.394 4.320 -0.000 0.000 0.214 406 A C 1.068 178.663 177.584 0.019 0.000 1.152 406 A CA 0.437 52.507 52.037 0.054 0.000 0.728 406 A CB -0.103 18.918 19.000 0.035 0.000 0.814 406 A HN 0.316 nan 8.150 nan 0.000 0.464 412 L N 2.162 123.395 121.223 0.017 0.000 2.873 412 L HA 0.263 4.603 4.340 -0.000 0.000 0.236 412 L C 0.198 177.077 176.870 0.015 0.000 1.375 412 L CA -0.304 54.546 54.840 0.016 0.000 1.239 412 L CB -0.692 41.375 42.059 0.013 0.000 1.603 412 L HN 0.404 nan 8.230 nan 0.000 0.430 413 D N 0.444 120.853 120.400 0.016 0.000 2.449 413 D HA 0.053 4.693 4.640 -0.000 0.000 0.236 413 D C 1.156 177.464 176.300 0.013 0.000 1.149 413 D CA 0.605 54.613 54.000 0.012 0.000 0.878 413 D CB 1.438 42.245 40.800 0.011 0.000 1.198 413 D HN 0.294 nan 8.370 nan 0.000 0.446 414 A N 2.641 125.466 122.820 0.010 0.000 1.897 414 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 414 A C 2.115 179.706 177.584 0.012 0.000 1.181 414 A CA 1.511 53.553 52.037 0.009 0.000 0.620 414 A CB -0.580 18.423 19.000 0.005 0.000 0.821 414 A HN 0.522 nan 8.150 nan 0.000 0.443 415 S N -0.811 114.897 115.700 0.013 0.000 2.446 415 S HA -0.078 4.392 4.470 -0.000 0.000 0.225 415 S C 1.976 176.596 174.600 0.033 0.000 1.016 415 S CA 1.760 59.971 58.200 0.018 0.000 0.943 415 S CB -0.420 62.787 63.200 0.012 0.000 0.786 415 S HN 0.770 nan 8.310 nan 0.000 0.508 416 T N -1.342 113.230 114.554 0.031 0.000 3.044 416 T HA 0.236 4.586 4.350 -0.000 0.000 0.255 416 T C 1.714 176.449 174.700 0.058 0.000 1.073 416 T CA 0.391 62.516 62.100 0.042 0.000 1.125 416 T CB -0.252 68.629 68.868 0.021 0.000 0.908 416 T HN 0.240 nan 8.240 nan 0.000 0.480 417 K N 0.576 121.003 120.400 0.045 0.000 2.147 417 K HA -0.085 4.234 4.320 -0.000 0.000 0.205 417 K C 2.596 179.229 176.600 0.055 0.000 1.049 417 K CA 0.904 57.219 56.287 0.047 0.000 0.936 417 K CB -0.057 32.461 32.500 0.030 0.000 0.722 417 K HN 0.259 nan 8.250 nan 0.000 0.446 418 Q N 0.055 119.886 119.800 0.052 0.000 2.187 418 Q HA -0.095 4.245 4.340 -0.000 0.000 0.199 418 Q C 1.791 177.842 176.000 0.086 0.000 0.957 418 Q CA 1.851 57.681 55.803 0.045 0.000 0.857 418 Q CB 0.069 28.820 28.738 0.022 0.000 0.929 418 Q HN 0.494 nan 8.270 nan 0.000 0.453 419 T N -1.237 113.405 114.554 0.146 0.000 2.951 419 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 419 T C 1.845 176.697 174.700 0.254 0.000 1.073 419 T CA 0.484 62.752 62.100 0.279 0.000 1.134 419 T CB -0.132 68.923 68.868 0.311 0.000 0.884 419 T HN 0.052 nan 8.240 nan 0.000 0.479 420 L N 0.994 122.332 121.223 0.191 0.000 2.141 420 L HA 0.071 4.411 4.340 -0.000 0.000 0.209 420 L C 2.731 179.684 176.870 0.138 0.000 1.094 420 L CA 0.833 55.797 54.840 0.207 0.000 0.763 420 L CB -0.837 41.301 42.059 0.131 0.000 0.908 420 L HN 0.199 nan 8.230 nan 0.000 0.437 421 V N -1.150 118.811 119.914 0.078 0.000 2.273 421 V HA -0.163 3.957 4.120 -0.000 0.000 0.242 421 V C 2.670 178.758 176.094 -0.010 0.000 1.035 421 V CA 1.111 63.426 62.300 0.024 0.000 1.013 421 V CB -0.504 31.320 31.823 0.003 0.000 0.652 421 V HN 0.325 nan 8.190 nan 0.000 0.452 422 R N 0.434 120.935 120.500 0.001 0.000 2.113 422 R HA -0.199 4.141 4.340 -0.000 0.000 0.244 422 R C 2.377 178.640 176.300 -0.062 0.000 1.142 422 R CA 1.946 58.028 56.100 -0.029 0.000 0.953 422 R CB -1.302 28.994 30.300 -0.007 0.000 0.860 422 R HN 0.608 nan 8.270 nan 0.000 0.438 423 G N 0.782 109.507 108.800 -0.124 0.000 2.480 423 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.216 423 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.216 423 G C 1.290 175.832 174.900 -0.596 0.000 1.200 423 G CA 0.664 45.336 45.100 -0.713 0.000 0.782 423 G HN 0.382 nan 8.290 nan 0.000 0.554 424 E N -0.055 119.982 120.200 -0.271 0.000 2.160 424 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 424 E C 2.856 179.409 176.600 -0.078 0.000 0.991 424 E CA 0.471 56.828 56.400 -0.072 0.000 0.810 424 E CB 0.030 29.754 29.700 0.040 0.000 0.742 424 E HN 0.147 nan 8.360 nan 0.000 0.466 425 R N 0.387 120.830 120.500 -0.094 0.000 2.070 425 R HA -0.103 4.237 4.340 -0.000 0.000 0.233 425 R C 2.444 178.695 176.300 -0.083 0.000 1.137 425 R CA 0.939 56.985 56.100 -0.089 0.000 0.945 425 R CB -0.928 29.307 30.300 -0.108 0.000 0.845 425 R HN 0.250 nan 8.270 nan 0.000 0.430 426 L N 0.399 121.562 121.223 -0.100 0.000 2.141 426 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 426 L C 2.331 179.172 176.870 -0.048 0.000 1.094 426 L CA 1.307 56.107 54.840 -0.066 0.000 0.763 426 L CB -0.591 41.435 42.059 -0.056 0.000 0.908 426 L HN 0.188 nan 8.230 nan 0.000 0.437 427 T N -1.303 113.203 114.554 -0.080 0.000 2.708 427 T HA -0.187 4.163 4.350 -0.000 0.000 0.266 427 T C 1.922 176.623 174.700 0.003 0.000 1.037 427 T CA 1.033 63.122 62.100 -0.019 0.000 1.146 427 T CB -0.100 68.775 68.868 0.011 0.000 0.865 427 T HN 0.264 nan 8.240 nan 0.000 0.435 428 Q N 0.402 120.197 119.800 -0.009 0.000 2.167 428 Q HA 0.039 4.379 4.340 -0.000 0.000 0.202 428 Q C 2.395 178.404 176.000 0.016 0.000 0.970 428 Q CA 0.783 56.587 55.803 0.001 0.000 0.855 428 Q CB -0.589 28.145 28.738 -0.007 0.000 0.911 428 Q HN 0.401 nan 8.270 nan 0.000 0.438 429 L N 0.208 121.439 121.223 0.012 0.000 2.056 429 L HA -0.111 4.228 4.340 -0.000 0.000 0.207 429 L C 1.951 178.851 176.870 0.051 0.000 1.078 429 L CA 1.463 56.328 54.840 0.040 0.000 0.749 429 L CB -0.359 41.718 42.059 0.031 0.000 0.901 429 L HN 0.120 nan 8.230 nan 0.000 0.433 430 L N -0.785 120.461 121.223 0.038 0.000 2.395 430 L HA -0.020 4.320 4.340 -0.000 0.000 0.218 430 L C 1.041 177.933 176.870 0.037 0.000 1.130 430 L CA 0.056 54.922 54.840 0.043 0.000 0.826 430 L CB -0.506 41.579 42.059 0.044 0.000 0.941 430 L HN 0.081 nan 8.230 nan 0.000 0.451 431 K N 1.569 121.986 120.400 0.028 0.000 2.511 431 K HA 0.003 4.323 4.320 -0.000 0.000 0.280 431 K C -0.064 176.547 176.600 0.018 0.000 1.008 431 K CA 0.643 56.938 56.287 0.014 0.000 1.050 431 K CB 0.413 32.916 32.500 0.005 0.000 0.889 431 K HN 0.086 nan 8.250 nan 0.000 0.484 432 Q N 2.159 121.962 119.800 0.005 0.000 2.389 432 Q HA 0.220 4.560 4.340 -0.000 0.000 0.277 432 Q C -1.154 174.838 176.000 -0.014 0.000 1.082 432 Q CA -0.922 54.884 55.803 0.005 0.000 0.810 432 Q CB 1.496 30.239 28.738 0.008 0.000 1.374 432 Q HN 0.466 nan 8.270 nan 0.000 0.422 433 N N 2.082 120.779 118.700 -0.005 0.000 2.525 433 N HA 0.069 4.809 4.740 -0.000 0.000 0.271 433 N C -0.855 174.630 175.510 -0.042 0.000 1.194 433 N CA -0.109 52.934 53.050 -0.011 0.000 0.964 433 N CB 0.924 39.423 38.487 0.020 0.000 1.126 433 N HN 0.544 nan 8.380 nan 0.000 0.452 434 Q N 0.839 120.587 119.800 -0.086 0.000 2.352 434 Q HA 0.020 4.360 4.340 -0.000 0.000 0.260 434 Q C -0.567 175.324 176.000 -0.181 0.000 0.976 434 Q CA -0.058 55.584 55.803 -0.269 0.000 0.881 434 Q CB 0.194 28.677 28.738 -0.426 0.000 1.235 434 Q HN 0.583 nan 8.270 nan 0.000 0.419 435 Y N 0.212 120.490 120.300 -0.036 0.000 4.272 435 Y HA -0.240 4.309 4.550 -0.000 0.000 0.232 435 Y C -0.120 175.771 175.900 -0.014 0.000 1.149 435 Y CA 0.776 58.834 58.100 -0.069 0.000 1.961 435 Y CB -2.185 36.228 38.460 -0.078 0.000 1.611 435 Y HN 0.416 nan 8.280 nan 0.000 0.682 436 S N -0.017 115.726 115.700 0.071 0.000 2.422 436 S HA 0.346 4.816 4.470 -0.000 0.000 0.226 436 S C -2.435 172.185 174.600 0.034 0.000 1.242 436 S CA -0.910 57.327 58.200 0.060 0.000 1.231 436 S CB 0.692 63.922 63.200 0.050 0.000 1.067 436 S HN 0.037 nan 8.310 nan 0.000 0.462 437 P HA 0.309 nan 4.420 nan 0.000 0.276 437 P C -0.701 176.606 177.300 0.012 0.000 1.230 437 P CA -0.301 62.812 63.100 0.023 0.000 0.776 437 P CB 0.589 32.305 31.700 0.026 0.000 0.888 438 L N 1.576 122.808 121.223 0.015 0.000 2.331 438 L HA 0.725 5.065 4.340 -0.000 0.000 0.275 438 L C 0.780 177.652 176.870 0.004 0.000 1.022 438 L CA -1.311 53.532 54.840 0.004 0.000 0.812 438 L CB 1.454 43.524 42.059 0.018 0.000 1.257 438 L HN 0.331 nan 8.230 nan 0.000 0.435 439 A N 1.183 123.987 122.820 -0.026 0.000 2.327 439 A HA 0.298 4.618 4.320 -0.000 0.000 0.255 439 A C 1.156 178.760 177.584 0.033 0.000 1.099 439 A CA -0.060 51.966 52.037 -0.018 0.000 0.801 439 A CB 0.175 19.129 19.000 -0.076 0.000 1.062 439 A HN 0.864 nan 8.150 nan 0.000 0.496 440 T N 0.602 115.200 114.554 0.074 0.000 2.915 440 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 440 T C 1.606 176.337 174.700 0.051 0.000 1.071 440 T CA 1.516 63.663 62.100 0.078 0.000 1.132 440 T CB -0.148 68.782 68.868 0.104 0.000 0.878 440 T HN 0.846 nan 8.240 nan 0.000 0.479 441 E N 1.893 122.110 120.200 0.028 0.000 2.347 441 E HA -0.124 4.226 4.350 -0.000 0.000 0.196 441 E C 1.411 178.007 176.600 -0.007 0.000 1.008 441 E CA 0.934 57.338 56.400 0.006 0.000 0.852 441 E CB -0.166 29.525 29.700 -0.016 0.000 0.783 441 E HN 0.567 nan 8.360 nan 0.000 0.505 442 E N 0.712 120.908 120.200 -0.005 0.000 2.140 442 E HA -0.045 4.305 4.350 -0.000 0.000 0.191 442 E C 2.202 178.828 176.600 0.044 0.000 0.973 442 E CA 0.424 56.819 56.400 -0.008 0.000 0.829 442 E CB 0.071 29.759 29.700 -0.020 0.000 0.781 442 E HN 0.334 nan 8.360 nan 0.000 0.466 443 Q N 0.521 120.356 119.800 0.057 0.000 2.046 443 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 443 Q C 2.598 178.665 176.000 0.111 0.000 0.975 443 Q CA 1.921 57.774 55.803 0.083 0.000 0.836 443 Q CB -0.200 28.583 28.738 0.075 0.000 0.896 443 Q HN 0.271 nan 8.270 nan 0.000 0.428 444 V N -1.204 118.772 119.914 0.104 0.000 2.332 444 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 444 V C -0.889 175.321 176.094 0.193 0.000 1.055 444 V CA 1.332 63.709 62.300 0.130 0.000 1.038 444 V CB -2.242 29.641 31.823 0.099 0.000 0.651 444 V HN 0.193 nan 8.190 nan 0.000 0.450 445 P HA -0.008 nan 4.420 nan 0.000 0.219 445 P C 2.044 179.591 177.300 0.411 0.000 1.150 445 P CA 1.238 64.534 63.100 0.327 0.000 0.814 445 P CB -0.149 31.761 31.700 0.349 0.000 0.787 446 L N -1.299 120.131 121.223 0.345 0.000 2.046 446 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 446 L C 2.426 179.434 176.870 0.230 0.000 1.077 446 L CA 1.482 56.511 54.840 0.315 0.000 0.747 446 L CB -0.875 41.334 42.059 0.249 0.000 0.896 446 L HN -0.087 nan 8.230 nan 0.000 0.432 447 I N -1.763 118.926 120.570 0.197 0.000 2.353 447 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 447 I C 2.497 178.703 176.117 0.147 0.000 1.119 447 I CA 1.090 62.474 61.300 0.141 0.000 1.417 447 I CB -0.234 37.837 38.000 0.118 0.000 1.078 447 I HN 0.151 nan 8.210 nan 0.000 0.421 448 Y N 1.619 121.982 120.300 0.105 0.000 2.181 448 Y HA -0.298 4.252 4.550 -0.000 0.000 0.288 448 Y C 2.532 178.521 175.900 0.148 0.000 1.146 448 Y CA 1.583 59.751 58.100 0.113 0.000 1.164 448 Y CB -0.160 38.379 38.460 0.131 0.000 0.982 448 Y HN 0.132 nan 8.280 nan 0.000 0.515 449 A N -0.444 122.562 122.820 0.309 0.000 1.969 449 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 449 A C 2.379 179.991 177.584 0.046 0.000 1.169 449 A CA 1.642 53.820 52.037 0.234 0.000 0.635 449 A CB -1.436 17.671 19.000 0.178 0.000 0.810 449 A HN 0.569 nan 8.150 nan 0.000 0.445 450 G N -1.026 107.774 108.800 0.001 0.000 2.408 450 G HA2 0.046 4.006 3.960 -0.000 0.000 0.213 450 G HA3 0.046 4.006 3.960 -0.000 0.000 0.213 450 G C 1.417 176.226 174.900 -0.151 0.000 1.177 450 G CA 0.942 45.995 45.100 -0.077 0.000 0.802 450 G HN 0.254 nan 8.290 nan 0.000 0.533 451 V N 1.578 121.398 119.914 -0.157 0.000 2.626 451 V HA -0.082 4.038 4.120 -0.000 0.000 0.252 451 V C 1.655 177.554 176.094 -0.324 0.000 1.067 451 V CA 1.325 63.485 62.300 -0.232 0.000 1.081 451 V CB -0.270 31.445 31.823 -0.181 0.000 0.686 451 V HN 0.354 nan 8.190 nan 0.000 0.468 452 N N -0.072 118.396 118.700 -0.388 0.000 2.273 452 N HA 0.169 4.909 4.740 -0.000 0.000 0.231 452 N C 1.283 176.402 175.510 -0.652 0.000 1.134 452 N CA 0.824 53.564 53.050 -0.518 0.000 0.856 452 N CB 1.019 39.118 38.487 -0.645 0.000 1.068 452 N HN 0.518 nan 8.380 nan 0.000 0.510 453 G N 1.022 109.556 108.800 -0.443 0.000 2.249 453 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.273 453 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.273 453 G C 0.368 175.053 174.900 -0.358 0.000 1.036 453 G CA 0.447 45.332 45.100 -0.358 0.000 0.824 453 G HN 0.597 nan 8.290 nan 0.000 0.504 454 H N -1.153 117.843 119.070 -0.123 0.000 2.553 454 H HA 0.373 4.929 4.556 -0.000 0.000 0.265 454 H C 2.407 177.633 175.328 -0.169 0.000 0.964 454 H CA 0.443 56.430 56.048 -0.102 0.000 1.156 454 H CB 0.337 30.072 29.762 -0.044 0.000 1.411 454 H HN 0.444 nan 8.280 nan 0.000 0.558 455 L N 0.170 121.311 121.223 -0.137 0.000 2.607 455 L HA 0.027 4.366 4.340 -0.000 0.000 0.228 455 L C 0.761 177.521 176.870 -0.183 0.000 1.123 455 L CA 0.114 54.802 54.840 -0.253 0.000 0.890 455 L CB 0.316 42.205 42.059 -0.283 0.000 1.103 455 L HN 0.173 nan 8.230 nan 0.000 0.468 456 D N 0.519 120.837 120.400 -0.137 0.000 2.371 456 D HA -0.059 4.581 4.640 -0.000 0.000 0.221 456 D C 1.819 178.069 176.300 -0.083 0.000 0.986 456 D CA 0.756 54.692 54.000 -0.106 0.000 0.899 456 D CB 0.177 40.914 40.800 -0.104 0.000 0.902 456 D HN 0.265 nan 8.370 nan 0.000 0.530 457 G N -0.388 108.361 108.800 -0.085 0.000 3.453 457 G HA2 0.285 4.245 3.960 -0.000 0.000 0.263 457 G HA3 0.285 4.245 3.960 -0.000 0.000 0.263 457 G C 0.396 175.253 174.900 -0.072 0.000 1.060 457 G CA -0.242 44.819 45.100 -0.065 0.000 0.793 457 G HN 0.130 nan 8.290 nan 0.000 0.532 458 I N 0.298 120.808 120.570 -0.100 0.000 2.607 458 I HA 0.329 4.498 4.170 -0.000 0.000 0.305 458 I C -0.035 176.038 176.117 -0.074 0.000 0.995 458 I CA -0.981 60.259 61.300 -0.100 0.000 1.148 458 I CB 1.976 39.870 38.000 -0.177 0.000 1.323 458 I HN -0.036 nan 8.210 nan 0.000 0.461 459 E N 2.024 122.195 120.200 -0.048 0.000 2.404 459 E HA -0.001 4.349 4.350 -0.000 0.000 0.261 459 E C 0.546 177.126 176.600 -0.033 0.000 1.074 459 E CA -0.269 56.112 56.400 -0.032 0.000 0.917 459 E CB 0.981 30.672 29.700 -0.016 0.000 0.965 459 E HN 0.407 nan 8.360 nan 0.000 0.433 460 L N 2.416 123.625 121.223 -0.024 0.000 2.156 460 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 460 L C 2.060 178.925 176.870 -0.008 0.000 1.095 460 L CA 1.840 56.668 54.840 -0.020 0.000 0.770 460 L CB -0.228 41.824 42.059 -0.012 0.000 0.914 460 L HN 0.606 nan 8.230 nan 0.000 0.439 461 S N -1.616 114.083 115.700 -0.002 0.000 2.527 461 S HA -0.006 4.464 4.470 -0.000 0.000 0.222 461 S C 1.725 176.338 174.600 0.022 0.000 0.985 461 S CA 0.123 58.327 58.200 0.007 0.000 0.921 461 S CB -0.317 62.886 63.200 0.005 0.000 0.772 461 S HN 0.463 nan 8.310 nan 0.000 0.529 462 R N 0.253 120.769 120.500 0.027 0.000 2.507 462 R HA 0.375 4.715 4.340 -0.000 0.000 0.298 462 R C 0.630 176.988 176.300 0.098 0.000 0.999 462 R CA -0.211 55.925 56.100 0.060 0.000 1.082 462 R CB 0.076 30.411 30.300 0.058 0.000 1.246 462 R HN 0.375 nan 8.270 nan 0.000 0.553 463 I N -0.117 120.492 120.570 0.064 0.000 2.406 463 I HA -0.061 4.109 4.170 -0.000 0.000 0.249 463 I C 2.283 178.497 176.117 0.162 0.000 1.122 463 I CA 1.313 62.658 61.300 0.076 0.000 1.431 463 I CB -1.123 36.878 38.000 0.001 0.000 1.087 463 I HN 0.208 nan 8.210 nan 0.000 0.424 464 G N 0.458 109.327 108.800 0.115 0.000 2.402 464 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 464 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 464 G C 1.593 176.575 174.900 0.137 0.000 1.162 464 G CA 0.604 45.771 45.100 0.112 0.000 0.777 464 G HN 0.460 nan 8.290 nan 0.000 0.539 465 E N -0.326 119.957 120.200 0.139 0.000 2.077 465 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 465 E C 2.070 178.787 176.600 0.196 0.000 0.989 465 E CA 0.748 57.231 56.400 0.139 0.000 0.800 465 E CB -0.287 29.484 29.700 0.118 0.000 0.746 465 E HN 0.391 nan 8.360 nan 0.000 0.452 466 F N 2.112 122.128 119.950 0.110 0.000 2.120 466 F HA -0.239 4.288 4.527 -0.000 0.000 0.300 466 F C 2.204 178.126 175.800 0.203 0.000 1.095 466 F CA 2.239 60.342 58.000 0.171 0.000 1.249 466 F CB -0.255 38.819 39.000 0.124 0.000 0.995 466 F HN 0.105 nan 8.300 nan 0.000 0.480 467 E N 0.277 120.645 120.200 0.281 0.000 2.021 467 E HA -0.280 4.070 4.350 -0.000 0.000 0.200 467 E C 2.255 178.879 176.600 0.040 0.000 1.015 467 E CA 2.330 58.834 56.400 0.173 0.000 0.824 467 E CB -0.387 29.422 29.700 0.182 0.000 0.762 467 E HN 0.516 nan 8.360 nan 0.000 0.454 468 S N -0.168 115.561 115.700 0.049 0.000 2.419 468 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 468 S C 2.144 176.736 174.600 -0.013 0.000 1.016 468 S CA 1.319 59.527 58.200 0.013 0.000 0.974 468 S CB -0.113 63.106 63.200 0.032 0.000 0.786 468 S HN 0.154 nan 8.310 nan 0.000 0.492 469 S N 1.144 116.847 115.700 0.007 0.000 2.377 469 S HA 0.167 4.637 4.470 -0.000 0.000 0.223 469 S C 1.364 175.904 174.600 -0.101 0.000 1.030 469 S CA 0.692 58.924 58.200 0.052 0.000 0.970 469 S CB -0.508 62.810 63.200 0.197 0.000 0.830 469 S HN 0.566 nan 8.310 nan 0.000 0.473 470 F N 2.636 122.254 119.950 -0.554 0.000 2.186 470 F HA 0.101 4.628 4.527 -0.000 0.000 0.299 470 F C 1.699 177.211 175.800 -0.480 0.000 1.090 470 F CA 0.845 58.241 58.000 -1.007 0.000 1.307 470 F CB -0.539 37.796 39.000 -1.109 0.000 1.019 470 F HN 0.072 nan 8.300 nan 0.000 0.489 471 L N -0.889 120.072 121.223 -0.437 0.000 2.046 471 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 471 L C 2.623 179.295 176.870 -0.331 0.000 1.077 471 L CA 1.496 56.095 54.840 -0.402 0.000 0.747 471 L CB -1.019 40.921 42.059 -0.198 0.000 0.896 471 L HN 0.051 nan 8.230 nan 0.000 0.432 472 S N -1.087 114.481 115.700 -0.220 0.000 2.368 472 S HA -0.243 4.227 4.470 -0.000 0.000 0.225 472 S C 1.885 176.371 174.600 -0.190 0.000 1.030 472 S CA 1.189 59.293 58.200 -0.160 0.000 0.999 472 S CB -0.391 62.763 63.200 -0.076 0.000 0.844 472 S HN 0.476 nan 8.310 nan 0.000 0.459 473 Y N 1.748 121.835 120.300 -0.356 0.000 2.384 473 Y HA -0.076 4.474 4.550 -0.000 0.000 0.289 473 Y C 1.515 177.156 175.900 -0.431 0.000 1.152 473 Y CA 1.215 59.096 58.100 -0.364 0.000 1.258 473 Y CB -0.225 37.921 38.460 -0.522 0.000 0.979 473 Y HN 0.194 nan 8.280 nan 0.000 0.549 474 L N -0.546 120.299 121.223 -0.629 0.000 2.354 474 L HA 0.025 4.365 4.340 -0.000 0.000 0.212 474 L C 2.129 178.749 176.870 -0.417 0.000 1.091 474 L CA 0.611 55.083 54.840 -0.614 0.000 0.828 474 L CB -0.188 41.548 42.059 -0.539 0.000 0.973 474 L HN -0.066 nan 8.230 nan 0.000 0.461 475 K N -0.288 119.915 120.400 -0.327 0.000 2.365 475 K HA -0.006 4.314 4.320 -0.000 0.000 0.197 475 K C 1.903 178.382 176.600 -0.203 0.000 1.042 475 K CA 1.239 57.390 56.287 -0.226 0.000 0.987 475 K CB 0.166 32.560 32.500 -0.177 0.000 0.779 475 K HN 0.293 nan 8.250 nan 0.000 0.484 476 S N -1.040 114.518 115.700 -0.237 0.000 2.540 476 S HA 0.167 4.637 4.470 -0.000 0.000 0.222 476 S C 0.890 175.336 174.600 -0.256 0.000 1.008 476 S CA -0.292 57.789 58.200 -0.197 0.000 0.939 476 S CB 0.185 63.299 63.200 -0.143 0.000 0.865 476 S HN 0.113 nan 8.310 nan 0.000 0.499 477 N N 1.360 119.807 118.700 -0.423 0.000 2.604 477 N HA 0.211 4.951 4.740 -0.000 0.000 0.234 477 N C -0.132 175.096 175.510 -0.469 0.000 1.064 477 N CA 0.289 52.998 53.050 -0.569 0.000 1.202 477 N CB -0.254 37.596 38.487 -1.062 0.000 1.575 477 N HN 0.264 nan 8.380 nan 0.000 0.619 478 H N 1.097 119.957 119.070 -0.350 0.000 2.768 478 H HA 0.186 4.741 4.556 -0.000 0.000 0.228 478 H C 0.308 175.505 175.328 -0.217 0.000 1.812 478 H CA -0.068 55.830 56.048 -0.251 0.000 1.273 478 H CB -0.676 28.937 29.762 -0.248 0.000 1.631 478 H HN 0.347 nan 8.280 nan 0.000 0.526 479 N N 1.772 120.398 118.700 -0.123 0.000 2.205 479 N HA -0.186 4.554 4.740 -0.000 0.000 0.186 479 N C 1.085 176.551 175.510 -0.073 0.000 1.015 479 N CA 1.191 54.174 53.050 -0.112 0.000 0.862 479 N CB 0.228 38.651 38.487 -0.107 0.000 0.986 479 N HN 0.477 nan 8.380 nan 0.000 0.429 480 E N -0.660 119.511 120.200 -0.049 0.000 2.494 480 E HA 0.055 4.405 4.350 -0.000 0.000 0.193 480 E C 1.259 177.835 176.600 -0.041 0.000 1.074 480 E CA -0.031 56.345 56.400 -0.040 0.000 0.867 480 E CB 0.183 29.865 29.700 -0.031 0.000 0.924 480 E HN 0.460 nan 8.360 nan 0.000 0.502 481 L N -0.096 121.100 121.223 -0.046 0.000 2.253 481 L HA 0.014 4.354 4.340 -0.000 0.000 0.205 481 L C 1.970 178.808 176.870 -0.054 0.000 1.078 481 L CA 0.546 55.353 54.840 -0.055 0.000 0.805 481 L CB -0.171 41.849 42.059 -0.066 0.000 0.963 481 L HN 0.237 nan 8.230 nan 0.000 0.459 482 L N -0.743 120.441 121.223 -0.065 0.000 2.376 482 L HA -0.078 4.262 4.340 -0.000 0.000 0.219 482 L C 2.378 179.221 176.870 -0.045 0.000 1.133 482 L CA 0.756 55.558 54.840 -0.063 0.000 0.816 482 L CB -0.969 41.037 42.059 -0.088 0.000 0.933 482 L HN 0.226 nan 8.230 nan 0.000 0.449 483 T N -0.678 113.851 114.554 -0.042 0.000 2.812 483 T HA -0.116 4.234 4.350 -0.000 0.000 0.264 483 T C 1.729 176.418 174.700 -0.019 0.000 1.042 483 T CA 1.068 63.150 62.100 -0.030 0.000 1.140 483 T CB -0.046 68.803 68.868 -0.032 0.000 0.870 483 T HN 0.380 nan 8.240 nan 0.000 0.445 484 E N 0.589 120.776 120.200 -0.022 0.000 2.204 484 E HA 0.013 4.362 4.350 -0.000 0.000 0.194 484 E C 1.876 178.473 176.600 -0.005 0.000 0.989 484 E CA 0.743 57.134 56.400 -0.015 0.000 0.824 484 E CB -0.162 29.525 29.700 -0.022 0.000 0.756 484 E HN 0.524 nan 8.360 nan 0.000 0.477 485 I N 0.111 120.678 120.570 -0.006 0.000 3.030 485 I HA -0.062 4.107 4.170 -0.000 0.000 0.270 485 I C 2.471 178.602 176.117 0.022 0.000 1.211 485 I CA 0.238 61.542 61.300 0.007 0.000 1.479 485 I CB -0.036 37.966 38.000 0.004 0.000 1.105 485 I HN -0.050 nan 8.210 nan 0.000 0.447 486 R N 1.280 121.791 120.500 0.019 0.000 2.093 486 R HA -0.059 4.281 4.340 -0.000 0.000 0.224 486 R C 1.552 177.885 176.300 0.054 0.000 1.101 486 R CA 1.318 57.442 56.100 0.040 0.000 0.979 486 R CB 0.242 30.554 30.300 0.019 0.000 0.877 486 R HN 0.381 nan 8.270 nan 0.000 0.441 487 E N -1.119 119.102 120.200 0.035 0.000 2.413 487 E HA 0.043 4.392 4.350 -0.000 0.000 0.203 487 E C 1.556 178.173 176.600 0.028 0.000 0.957 487 E CA 0.104 56.526 56.400 0.036 0.000 0.950 487 E CB 0.640 30.355 29.700 0.025 0.000 0.957 487 E HN 0.096 nan 8.360 nan 0.000 0.497 488 K N -0.267 120.146 120.400 0.022 0.000 2.067 488 K HA 0.031 4.351 4.320 -0.000 0.000 0.203 488 K C 1.178 177.792 176.600 0.023 0.000 1.048 488 K CA 0.909 57.207 56.287 0.019 0.000 0.954 488 K CB 0.261 32.769 32.500 0.013 0.000 0.737 488 K HN 0.213 nan 8.250 nan 0.000 0.444 489 G N 1.587 110.403 108.800 0.027 0.000 2.148 489 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.254 489 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.254 489 G C -0.382 174.534 174.900 0.027 0.000 0.981 489 G CA 0.559 45.677 45.100 0.030 0.000 0.670 489 G HN 0.397 nan 8.290 nan 0.000 0.528 490 E N -1.100 119.113 120.200 0.022 0.000 2.331 490 E HA 0.598 4.948 4.350 -0.000 0.000 0.275 490 E C -0.543 176.067 176.600 0.017 0.000 0.895 490 E CA -0.931 55.482 56.400 0.022 0.000 0.753 490 E CB 1.800 31.511 29.700 0.019 0.000 1.216 490 E HN 0.153 nan 8.360 nan 0.000 0.434 491 L N 2.553 123.788 121.223 0.021 0.000 2.255 491 L HA 0.299 4.639 4.340 -0.000 0.000 0.289 491 L C 0.158 177.036 176.870 0.013 0.000 1.046 491 L CA -0.513 54.336 54.840 0.014 0.000 0.816 491 L CB 0.961 43.033 42.059 0.022 0.000 1.197 491 L HN 0.510 nan 8.230 nan 0.000 0.427 492 S N 1.722 117.425 115.700 0.005 0.000 2.585 492 S HA 0.182 4.652 4.470 -0.000 0.000 0.273 492 S C 0.866 175.469 174.600 0.005 0.000 1.339 492 S CA -0.743 57.460 58.200 0.005 0.000 1.028 492 S CB 1.254 64.454 63.200 -0.000 0.000 0.906 492 S HN 0.584 nan 8.310 nan 0.000 0.528 493 K N 0.378 120.784 120.400 0.010 0.000 2.362 493 K HA -0.121 4.199 4.320 -0.000 0.000 0.200 493 K C 1.969 178.573 176.600 0.006 0.000 1.046 493 K CA 1.216 57.511 56.287 0.013 0.000 0.952 493 K CB -0.116 32.394 32.500 0.017 0.000 0.753 493 K HN 0.785 nan 8.250 nan 0.000 0.466 494 E N 1.297 121.496 120.200 -0.002 0.000 2.047 494 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 494 E C 1.698 178.285 176.600 -0.022 0.000 0.987 494 E CA 0.908 57.302 56.400 -0.010 0.000 0.799 494 E CB -0.150 29.543 29.700 -0.011 0.000 0.752 494 E HN 0.129 nan 8.360 nan 0.000 0.449 495 L N 0.005 121.212 121.223 -0.027 0.000 2.291 495 L HA 0.074 4.414 4.340 -0.000 0.000 0.214 495 L C 1.992 178.824 176.870 -0.064 0.000 1.120 495 L CA 1.085 55.897 54.840 -0.048 0.000 0.799 495 L CB -0.468 41.565 42.059 -0.042 0.000 0.925 495 L HN 0.309 nan 8.230 nan 0.000 0.446 496 L N -0.294 120.910 121.223 -0.032 0.000 2.093 496 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 496 L C 2.375 179.236 176.870 -0.016 0.000 1.085 496 L CA 1.856 56.687 54.840 -0.016 0.000 0.755 496 L CB -0.660 41.422 42.059 0.038 0.000 0.904 496 L HN 0.300 nan 8.230 nan 0.000 0.435 497 A N -2.676 120.138 122.820 -0.010 0.000 2.123 497 A HA -0.037 4.282 4.320 -0.000 0.000 0.214 497 A C 2.419 179.980 177.584 -0.039 0.000 1.152 497 A CA 1.165 53.200 52.037 -0.003 0.000 0.728 497 A CB -0.428 18.576 19.000 0.006 0.000 0.814 497 A HN 0.401 nan 8.150 nan 0.000 0.464 498 S N -0.660 114.998 115.700 -0.069 0.000 2.377 498 S HA -0.044 4.426 4.470 -0.000 0.000 0.223 498 S C 1.801 176.320 174.600 -0.134 0.000 1.030 498 S CA 1.190 59.332 58.200 -0.096 0.000 0.970 498 S CB -0.292 62.852 63.200 -0.094 0.000 0.830 498 S HN 0.448 nan 8.310 nan 0.000 0.473 499 L N 1.836 122.951 121.223 -0.180 0.000 2.291 499 L HA 0.150 4.490 4.340 -0.000 0.000 0.214 499 L C 2.156 178.873 176.870 -0.256 0.000 1.120 499 L CA 1.532 56.228 54.840 -0.240 0.000 0.799 499 L CB -0.392 41.442 42.059 -0.374 0.000 0.925 499 L HN 0.188 nan 8.230 nan 0.000 0.446 500 K N -1.567 118.707 120.400 -0.209 0.000 2.097 500 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 500 K C 2.283 178.871 176.600 -0.020 0.000 1.050 500 K CA 1.388 57.654 56.287 -0.035 0.000 0.938 500 K CB -0.090 32.468 32.500 0.097 0.000 0.718 500 K HN 0.317 nan 8.250 nan 0.000 0.442 501 S N -0.567 115.116 115.700 -0.027 0.000 2.446 501 S HA 0.050 4.519 4.470 -0.000 0.000 0.225 501 S C 1.740 176.356 174.600 0.028 0.000 1.016 501 S CA 0.757 58.954 58.200 -0.004 0.000 0.943 501 S CB -0.000 63.190 63.200 -0.017 0.000 0.786 501 S HN 0.413 nan 8.310 nan 0.000 0.508 502 A N 0.416 123.242 122.820 0.009 0.000 2.014 502 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 502 A C 2.201 179.998 177.584 0.356 0.000 1.163 502 A CA 1.779 53.902 52.037 0.143 0.000 0.652 502 A CB -0.962 18.037 19.000 -0.002 0.000 0.808 502 A HN 0.555 nan 8.150 nan 0.000 0.449 503 T N -0.315 114.341 114.554 0.171 0.000 2.814 503 T HA -0.046 4.304 4.350 -0.000 0.000 0.254 503 T C 1.726 176.410 174.700 -0.027 0.000 1.037 503 T CA 1.309 63.444 62.100 0.059 0.000 1.143 503 T CB -0.200 68.624 68.868 -0.072 0.000 0.866 503 T HN 0.595 nan 8.240 nan 0.000 0.431 504 E N 1.055 121.203 120.200 -0.088 0.000 2.204 504 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 504 E C 2.330 178.940 176.600 0.017 0.000 0.990 504 E CA 0.767 57.125 56.400 -0.071 0.000 0.821 504 E CB -0.086 29.586 29.700 -0.047 0.000 0.750 504 E HN 0.239 nan 8.360 nan 0.000 0.477 505 S N -0.356 115.389 115.700 0.076 0.000 2.406 505 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 505 S C 1.489 176.125 174.600 0.059 0.000 1.020 505 S CA 0.524 58.782 58.200 0.096 0.000 0.965 505 S CB -0.104 63.204 63.200 0.179 0.000 0.798 505 S HN 0.292 nan 8.310 nan 0.000 0.488 506 F N 1.484 121.357 119.950 -0.128 0.000 2.234 506 F HA 0.090 4.616 4.527 -0.000 0.000 0.296 506 F C 1.974 177.693 175.800 -0.136 0.000 1.089 506 F CA 0.721 58.547 58.000 -0.291 0.000 1.343 506 F CB -0.296 38.418 39.000 -0.476 0.000 1.040 506 F HN -0.018 nan 8.300 nan 0.000 0.498 507 V N 0.371 120.284 119.914 -0.001 0.000 2.490 507 V HA -0.312 3.808 4.120 -0.000 0.000 0.250 507 V C 2.643 178.687 176.094 -0.083 0.000 1.061 507 V CA 1.704 64.001 62.300 -0.005 0.000 1.064 507 V CB -1.385 30.458 31.823 0.033 0.000 0.670 507 V HN 0.453 nan 8.190 nan 0.000 0.461 508 A N -0.880 121.889 122.820 -0.086 0.000 1.873 508 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 508 A C 1.838 179.352 177.584 -0.118 0.000 1.186 508 A CA 1.958 53.949 52.037 -0.076 0.000 0.616 508 A CB -0.590 18.384 19.000 -0.044 0.000 0.823 508 A HN 0.501 nan 8.150 nan 0.000 0.442 509 T N 0.000 114.442 114.554 -0.187 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 61.982 62.100 -0.197 0.000 1.349 509 T CB 0.000 68.736 68.868 -0.221 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658