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 1px8_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIKVRVPDFS DKKFSDRWRY CVGTGRLGLA LQKEYIETLK YVKENIDFKY DATA SEQUENCE IRGHGLLCDD VGIYREDVVG DEVKPFYNFT YIDRIFDSFL EIGIRPFVEI DATA SEQUENCE GFMPKKLASG TQTVFYWEGN VTPPKDYEKW SDLVKAVLHH FISRYGIEEV DATA SEQUENCE LKWPFEIWNE PNLKEFWKDA DEKEYFKLYK VTAKAIKEVN ENLKVGGPAI DATA SEQUENCE CGGADYWIED FLNFCYEENV PVDFVSRHAY TSKQGEYTPH LIYQEIMPSE DATA SEQUENCE YMLNEFKTVR EIIKNSHFPN LPFHITEYNT SYSPQNPVHD TPFNAAYIAR DATA SEQUENCE ILSEGGDYVD SFSYWTFSDV FEERDVPRSQ FHGGFGLVAL NMIPKPTFYT DATA SEQUENCE FKFFNAMGEE MLYRDEHMLV TRRDDGSVAL IAWNEVMDKT ENPDEDYEVE DATA SEQUENCE IPVRFRDVFI KRQLIDEEHG NPWGTWIHMG RPRYPSKEQV NTLREVAKPE DATA SEQUENCE IMTSQPVAND GYLNLKFKLG KNAVVLYELT ERIDESSTYI GLDDSKINGY 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.147 176.300 -0.256 0.000 1.140 1 M CA 0.000 55.186 55.300 -0.190 0.000 0.988 1 M CB 0.000 32.490 32.600 -0.183 0.000 1.302 2 I N 1.477 121.827 120.570 -0.367 0.000 2.531 2 I HA 0.410 4.580 4.170 -0.001 0.000 0.283 2 I C -1.316 174.614 176.117 -0.312 0.000 1.083 2 I CA -0.575 60.487 61.300 -0.397 0.000 1.071 2 I CB 1.964 39.543 38.000 -0.702 0.000 1.210 2 I HN 0.518 nan 8.210 nan 0.000 0.450 3 K N 5.197 125.475 120.400 -0.203 0.000 2.143 3 K HA 0.802 5.122 4.320 -0.001 0.000 0.272 3 K C -0.913 175.593 176.600 -0.156 0.000 1.001 3 K CA -0.729 55.458 56.287 -0.167 0.000 0.915 3 K CB 2.611 35.032 32.500 -0.132 0.000 1.047 3 K HN 0.216 nan 8.250 nan 0.000 0.458 4 V N 1.978 121.784 119.914 -0.179 0.000 2.932 4 V HA 0.347 4.467 4.120 -0.001 0.000 0.307 4 V C -0.917 175.039 176.094 -0.230 0.000 1.147 4 V CA -0.932 61.215 62.300 -0.255 0.000 0.951 4 V CB 2.076 33.631 31.823 -0.446 0.000 1.031 4 V HN 0.748 nan 8.190 nan 0.000 0.426 5 R N 2.834 123.214 120.500 -0.199 0.000 2.402 5 R HA 0.539 4.878 4.340 -0.001 0.000 0.290 5 R C -1.083 175.191 176.300 -0.042 0.000 1.321 5 R CA -0.377 55.669 56.100 -0.091 0.000 1.283 5 R CB 1.270 31.522 30.300 -0.079 0.000 1.111 5 R HN 0.605 nan 8.270 nan 0.000 0.578 6 V N 6.753 126.621 119.914 -0.076 0.000 2.506 6 V HA 0.013 4.133 4.120 -0.001 0.000 0.296 6 V C -1.553 174.626 176.094 0.142 0.000 1.004 6 V CA -0.541 61.758 62.300 -0.002 0.000 1.150 6 V CB 0.137 31.942 31.823 -0.030 0.000 0.911 6 V HN 0.677 nan 8.190 nan 0.000 0.476 7 P HA 0.038 nan 4.420 nan 0.000 0.269 7 P C 0.263 177.665 177.300 0.170 0.000 1.209 7 P CA -0.040 63.174 63.100 0.189 0.000 0.776 7 P CB 0.923 32.729 31.700 0.177 0.000 0.876 8 D N 0.946 121.473 120.400 0.211 0.000 2.363 8 D HA 0.001 4.641 4.640 -0.001 0.000 0.220 8 D C -0.278 176.215 176.300 0.321 0.000 0.994 8 D CA 0.607 54.720 54.000 0.189 0.000 0.890 8 D CB -0.186 40.737 40.800 0.205 0.000 0.906 8 D HN 0.130 nan 8.370 nan 0.000 0.530 9 F N 0.173 120.132 119.950 0.015 0.000 2.480 9 F HA 0.388 4.915 4.527 -0.001 0.000 0.329 9 F C 0.329 176.143 175.800 0.023 0.000 1.091 9 F CA -1.543 56.465 58.000 0.014 0.000 0.972 9 F CB 1.864 40.876 39.000 0.019 0.000 1.150 9 F HN -0.358 nan 8.300 nan 0.000 0.467 10 S N 2.167 117.904 115.700 0.063 0.000 2.422 10 S HA 0.205 4.675 4.470 -0.001 0.000 0.298 10 S C 0.312 174.956 174.600 0.074 0.000 1.118 10 S CA -0.478 57.754 58.200 0.053 0.000 1.083 10 S CB 0.552 63.750 63.200 -0.003 0.000 0.971 10 S HN 0.755 nan 8.310 nan 0.000 0.478 11 D N 4.795 125.245 120.400 0.083 0.000 2.429 11 D HA 0.183 4.822 4.640 -0.001 0.000 0.242 11 D C 0.358 176.691 176.300 0.054 0.000 1.076 11 D CA 0.875 54.917 54.000 0.071 0.000 0.955 11 D CB 0.096 40.935 40.800 0.065 0.000 1.076 11 D HN 0.556 nan 8.370 nan 0.000 0.448 12 K N -0.157 120.275 120.400 0.052 0.000 2.118 12 K HA 0.297 4.617 4.320 -0.001 0.000 0.240 12 K C -0.246 176.398 176.600 0.074 0.000 1.035 12 K CA -0.320 55.999 56.287 0.053 0.000 0.899 12 K CB 0.680 33.209 32.500 0.048 0.000 1.085 12 K HN -0.012 nan 8.250 nan 0.000 0.498 13 K N 1.061 121.512 120.400 0.085 0.000 2.375 13 K HA 0.340 4.659 4.320 -0.001 0.000 0.249 13 K C -1.235 175.472 176.600 0.179 0.000 0.942 13 K CA -0.718 55.637 56.287 0.114 0.000 0.806 13 K CB 1.341 33.883 32.500 0.070 0.000 1.227 13 K HN 0.404 nan 8.250 nan 0.000 0.430 14 F N 1.852 121.845 119.950 0.072 0.000 2.415 14 F HA 0.308 4.835 4.527 -0.001 0.000 0.348 14 F C 0.421 176.310 175.800 0.148 0.000 1.119 14 F CA -0.368 57.700 58.000 0.113 0.000 1.069 14 F CB 1.036 40.113 39.000 0.128 0.000 1.124 14 F HN 0.524 nan 8.300 nan 0.000 0.472 15 S N 2.742 118.105 115.700 -0.562 0.000 2.722 15 S HA 0.356 4.826 4.470 -0.001 0.000 0.292 15 S C -0.235 174.141 174.600 -0.372 0.000 1.135 15 S CA -0.576 57.424 58.200 -0.333 0.000 1.003 15 S CB 1.453 64.544 63.200 -0.181 0.000 1.067 15 S HN 0.622 nan 8.310 nan 0.000 0.546 16 D N -0.487 119.816 120.400 -0.161 0.000 2.706 16 D HA 0.149 4.789 4.640 -0.001 0.000 0.236 16 D C 0.959 177.035 176.300 -0.374 0.000 1.231 16 D CA -0.357 53.479 54.000 -0.273 0.000 0.828 16 D CB -0.284 40.379 40.800 -0.229 0.000 1.015 16 D HN 0.526 nan 8.370 nan 0.000 0.484 17 R N 0.206 120.613 120.500 -0.154 0.000 2.189 17 R HA -0.005 4.335 4.340 -0.001 0.000 0.218 17 R C 1.546 177.808 176.300 -0.064 0.000 1.074 17 R CA 0.900 56.984 56.100 -0.027 0.000 0.991 17 R CB -0.211 30.146 30.300 0.095 0.000 0.883 17 R HN 0.480 nan 8.270 nan 0.000 0.457 18 W N 2.005 123.231 121.300 -0.123 0.000 2.465 18 W HA -0.144 4.516 4.660 -0.001 0.000 0.268 18 W C 0.787 177.198 176.519 -0.180 0.000 1.242 18 W CA 0.633 57.683 57.345 -0.491 0.000 1.248 18 W CB -0.334 28.933 29.460 -0.320 0.000 1.118 18 W HN 0.021 nan 8.180 nan 0.000 0.587 19 R N -1.046 118.933 120.500 -0.870 0.000 2.546 19 R HA 0.102 4.442 4.340 -0.001 0.000 0.320 19 R C 1.377 177.612 176.300 -0.108 0.000 1.021 19 R CA -0.423 55.310 56.100 -0.611 0.000 1.088 19 R CB -1.381 28.018 30.300 -1.503 0.000 1.278 19 R HN -0.004 nan 8.270 nan 0.000 0.557 20 Y N 0.098 120.314 120.300 -0.140 0.000 2.242 20 Y HA 0.035 4.584 4.550 -0.001 0.000 0.291 20 Y C 0.325 176.290 175.900 0.109 0.000 1.137 20 Y CA 0.486 58.580 58.100 -0.008 0.000 1.181 20 Y CB 0.315 38.773 38.460 -0.003 0.000 0.989 20 Y HN 0.339 nan 8.280 nan 0.000 0.527 21 C N -0.030 119.370 119.300 0.167 0.000 3.239 21 C HA 0.700 5.160 4.460 -0.001 0.000 0.317 21 C C -1.269 173.550 174.990 -0.285 0.000 1.310 21 C CA -0.568 58.440 59.018 -0.016 0.000 1.371 21 C CB 0.821 28.636 27.740 0.125 0.000 1.714 21 C HN 0.049 nan 8.230 nan 0.000 0.473 22 V N 2.023 121.618 119.914 -0.531 0.000 3.007 22 V HA 0.908 5.027 4.120 -0.001 0.000 0.311 22 V C 0.526 176.391 176.094 -0.383 0.000 1.120 22 V CA -0.133 61.749 62.300 -0.697 0.000 0.980 22 V CB 1.280 32.348 31.823 -1.258 0.000 1.033 22 V HN 1.249 nan 8.190 nan 0.000 0.429 23 G N -0.014 108.617 108.800 -0.281 0.000 2.504 23 G HA2 0.637 4.596 3.960 -0.001 0.000 0.288 23 G HA3 0.637 4.596 3.960 -0.001 0.000 0.288 23 G C -0.406 174.275 174.900 -0.365 0.000 1.182 23 G CA 0.141 45.088 45.100 -0.256 0.000 0.894 23 G HN 1.128 nan 8.290 nan 0.000 0.521 24 T N -1.687 112.567 114.554 -0.500 0.000 2.792 24 T HA 0.630 4.980 4.350 -0.001 0.000 0.303 24 T C 0.467 174.983 174.700 -0.306 0.000 1.310 24 T CA 0.324 62.300 62.100 -0.207 0.000 1.007 24 T CB 1.113 70.112 68.868 0.219 0.000 1.335 24 T HN 1.037 nan 8.240 nan 0.000 0.504 25 G N 1.317 110.107 108.800 -0.017 0.000 2.616 25 G HA2 0.488 4.447 3.960 -0.001 0.000 0.268 25 G HA3 0.488 4.447 3.960 -0.001 0.000 0.268 25 G C 0.082 174.891 174.900 -0.151 0.000 1.213 25 G CA -0.834 44.199 45.100 -0.112 0.000 0.926 25 G HN 1.052 nan 8.290 nan 0.000 0.523 26 R N -0.031 120.271 120.500 -0.330 0.000 2.619 26 R HA -0.025 4.315 4.340 -0.001 0.000 0.268 26 R C 0.835 176.971 176.300 -0.273 0.000 0.990 26 R CA -0.229 55.662 56.100 -0.349 0.000 1.092 26 R CB 0.234 30.019 30.300 -0.858 0.000 0.935 26 R HN 0.407 nan 8.270 nan 0.000 0.415 27 L N 2.635 123.753 121.223 -0.175 0.000 2.263 27 L HA -0.170 4.170 4.340 -0.001 0.000 0.216 27 L C 2.458 179.126 176.870 -0.337 0.000 1.111 27 L CA 1.663 56.389 54.840 -0.190 0.000 0.773 27 L CB -0.772 41.211 42.059 -0.127 0.000 0.906 27 L HN 1.047 nan 8.230 nan 0.000 0.439 28 G N 0.194 108.790 108.800 -0.339 0.000 2.432 28 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.219 28 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.219 28 G C 1.560 176.214 174.900 -0.410 0.000 1.135 28 G CA 0.264 45.148 45.100 -0.360 0.000 0.767 28 G HN 0.301 nan 8.290 nan 0.000 0.550 29 L N 0.752 121.729 121.223 -0.410 0.000 2.456 29 L HA 0.072 4.412 4.340 -0.001 0.000 0.224 29 L C 2.984 179.481 176.870 -0.622 0.000 1.148 29 L CA 0.429 55.051 54.840 -0.363 0.000 0.825 29 L CB -0.151 41.779 42.059 -0.215 0.000 0.937 29 L HN 0.292 nan 8.230 nan 0.000 0.450 30 A N -0.242 122.019 122.820 -0.931 0.000 2.235 30 A HA 0.037 4.357 4.320 -0.001 0.000 0.208 30 A C 2.063 179.288 177.584 -0.598 0.000 1.172 30 A CA 0.592 51.825 52.037 -1.340 0.000 0.786 30 A CB -0.330 18.088 19.000 -0.970 0.000 0.804 30 A HN 0.415 nan 8.150 nan 0.000 0.479 31 L N -0.802 120.143 121.223 -0.463 0.000 2.446 31 L HA 0.007 4.347 4.340 -0.001 0.000 0.219 31 L C 0.824 177.574 176.870 -0.200 0.000 1.116 31 L CA 0.080 54.715 54.840 -0.341 0.000 0.844 31 L CB -0.208 41.576 42.059 -0.459 0.000 0.970 31 L HN 0.438 nan 8.230 nan 0.000 0.457 32 Q N 0.790 120.495 119.800 -0.159 0.000 2.337 32 Q HA -0.057 4.282 4.340 -0.001 0.000 0.270 32 Q C 0.884 176.905 176.000 0.036 0.000 1.002 32 Q CA 0.121 55.898 55.803 -0.043 0.000 0.888 32 Q CB 1.356 30.095 28.738 0.001 0.000 1.222 32 Q HN 0.099 nan 8.270 nan 0.000 0.400 33 K N 2.606 123.018 120.400 0.021 0.000 2.032 33 K HA -0.285 4.035 4.320 -0.001 0.000 0.209 33 K C 1.644 178.284 176.600 0.067 0.000 1.048 33 K CA 1.971 58.281 56.287 0.038 0.000 0.927 33 K CB 0.132 32.641 32.500 0.014 0.000 0.712 33 K HN 0.594 nan 8.250 nan 0.000 0.441 34 E N -0.190 120.042 120.200 0.054 0.000 2.097 34 E HA -0.261 4.089 4.350 -0.001 0.000 0.196 34 E C 1.818 178.477 176.600 0.098 0.000 1.000 34 E CA 1.731 58.157 56.400 0.043 0.000 0.804 34 E CB -0.411 29.298 29.700 0.015 0.000 0.740 34 E HN 0.496 nan 8.360 nan 0.000 0.454 35 Y N 0.280 120.593 120.300 0.020 0.000 2.089 35 Y HA -0.190 4.360 4.550 -0.001 0.000 0.282 35 Y C 2.080 178.075 175.900 0.159 0.000 1.139 35 Y CA 2.173 60.330 58.100 0.095 0.000 1.123 35 Y CB -0.186 38.322 38.460 0.080 0.000 0.980 35 Y HN 0.062 nan 8.280 nan 0.000 0.493 36 I N 0.300 121.113 120.570 0.404 0.000 2.361 36 I HA -0.283 3.887 4.170 -0.001 0.000 0.251 36 I C 2.122 178.320 176.117 0.135 0.000 1.133 36 I CA 1.602 63.064 61.300 0.271 0.000 1.413 36 I CB -0.346 37.775 38.000 0.203 0.000 1.073 36 I HN 0.401 nan 8.210 nan 0.000 0.424 37 E N 0.183 120.444 120.200 0.102 0.000 2.051 37 E HA -0.197 4.153 4.350 -0.001 0.000 0.192 37 E C 2.085 178.738 176.600 0.089 0.000 0.991 37 E CA 1.957 58.396 56.400 0.066 0.000 0.799 37 E CB -0.215 29.498 29.700 0.022 0.000 0.748 37 E HN 0.473 nan 8.360 nan 0.000 0.449 38 T N 1.858 116.465 114.554 0.088 0.000 2.821 38 T HA -0.117 4.233 4.350 -0.001 0.000 0.267 38 T C 1.929 176.750 174.700 0.202 0.000 1.046 38 T CA 0.597 62.788 62.100 0.150 0.000 1.139 38 T CB -0.173 68.747 68.868 0.088 0.000 0.871 38 T HN 0.097 nan 8.240 nan 0.000 0.454 39 L N 0.464 121.731 121.223 0.073 0.000 2.017 39 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 39 L C 2.616 179.427 176.870 -0.100 0.000 1.073 39 L CA 1.686 56.393 54.840 -0.221 0.000 0.745 39 L CB -0.268 41.613 42.059 -0.296 0.000 0.894 39 L HN 0.239 nan 8.230 nan 0.000 0.432 40 K N -1.125 119.275 120.400 -0.000 0.000 2.009 40 K HA -0.283 4.037 4.320 -0.001 0.000 0.210 40 K C 2.038 178.670 176.600 0.053 0.000 1.049 40 K CA 2.083 58.380 56.287 0.016 0.000 0.929 40 K CB -0.566 31.963 32.500 0.048 0.000 0.714 40 K HN 0.216 nan 8.250 nan 0.000 0.440 41 Y N 1.838 122.130 120.300 -0.013 0.000 2.069 41 Y HA -0.328 4.222 4.550 -0.001 0.000 0.278 41 Y C 1.987 177.914 175.900 0.045 0.000 1.175 41 Y CA 1.507 59.608 58.100 0.001 0.000 1.134 41 Y CB -0.660 37.781 38.460 -0.031 0.000 0.965 41 Y HN -0.206 nan 8.280 nan 0.000 0.498 42 V N 0.894 120.773 119.914 -0.059 0.000 2.343 42 V HA -0.289 3.831 4.120 -0.001 0.000 0.247 42 V C 2.465 178.492 176.094 -0.111 0.000 1.051 42 V CA 2.230 64.492 62.300 -0.063 0.000 1.036 42 V CB -0.602 31.285 31.823 0.107 0.000 0.654 42 V HN 0.304 nan 8.190 nan 0.000 0.451 43 K N 0.114 120.443 120.400 -0.118 0.000 2.283 43 K HA -0.133 4.187 4.320 -0.001 0.000 0.202 43 K C 1.929 178.449 176.600 -0.134 0.000 1.048 43 K CA 1.061 57.266 56.287 -0.138 0.000 0.948 43 K CB -0.219 32.195 32.500 -0.143 0.000 0.742 43 K HN 0.625 nan 8.250 nan 0.000 0.458 44 E N 0.093 120.224 120.200 -0.115 0.000 2.427 44 E HA -0.044 4.305 4.350 -0.001 0.000 0.196 44 E C 1.287 177.826 176.600 -0.102 0.000 1.028 44 E CA 0.393 56.741 56.400 -0.086 0.000 0.864 44 E CB 0.144 29.820 29.700 -0.040 0.000 0.813 44 E HN 0.268 nan 8.360 nan 0.000 0.514 45 N N -0.113 118.495 118.700 -0.154 0.000 2.460 45 N HA 0.158 4.897 4.740 -0.001 0.000 0.193 45 N C 0.155 175.538 175.510 -0.212 0.000 1.080 45 N CA 0.442 53.401 53.050 -0.151 0.000 0.869 45 N CB 1.401 39.808 38.487 -0.135 0.000 1.201 45 N HN 0.030 nan 8.380 nan 0.000 0.457 46 I N 0.996 121.392 120.570 -0.290 0.000 2.478 46 I HA 0.123 4.293 4.170 -0.001 0.000 0.287 46 I C -0.768 175.049 176.117 -0.499 0.000 1.042 46 I CA -0.663 60.368 61.300 -0.448 0.000 1.067 46 I CB 2.484 40.062 38.000 -0.704 0.000 1.233 46 I HN -0.261 nan 8.210 nan 0.000 0.431 47 D N 6.508 126.634 120.400 -0.458 0.000 2.801 47 D HA 0.194 4.833 4.640 -0.001 0.000 0.232 47 D C -0.294 175.760 176.300 -0.408 0.000 1.128 47 D CA -0.027 53.753 54.000 -0.366 0.000 1.003 47 D CB -0.253 40.391 40.800 -0.260 0.000 1.110 47 D HN 0.140 nan 8.370 nan 0.000 0.477 48 F N 1.131 120.899 119.950 -0.303 0.000 2.572 48 F HA 0.075 4.601 4.527 -0.000 0.000 0.370 48 F C 2.000 177.569 175.800 -0.384 0.000 1.103 48 F CA -0.206 57.592 58.000 -0.337 0.000 1.286 48 F CB 1.005 39.803 39.000 -0.337 0.000 1.105 48 F HN -0.032 nan 8.300 nan 0.000 0.583 49 K N 2.664 122.940 120.400 -0.206 0.000 2.166 49 K HA 0.034 4.354 4.320 -0.001 0.000 0.201 49 K C -0.466 175.699 176.600 -0.725 0.000 1.052 49 K CA 1.034 57.047 56.287 -0.457 0.000 0.969 49 K CB 0.164 32.390 32.500 -0.457 0.000 0.761 49 K HN 0.470 nan 8.250 nan 0.000 0.459 50 Y N -0.961 119.039 120.300 -0.499 0.000 2.605 50 Y HA 0.491 5.040 4.550 -0.001 0.000 0.343 50 Y C -0.540 175.097 175.900 -0.438 0.000 1.036 50 Y CA -1.072 56.738 58.100 -0.484 0.000 1.065 50 Y CB 1.859 40.041 38.460 -0.462 0.000 1.288 50 Y HN -0.218 nan 8.280 nan 0.000 0.481 51 I N 2.231 122.622 120.570 -0.298 0.000 2.499 51 I HA 0.478 4.647 4.170 -0.001 0.000 0.288 51 I C -1.285 174.714 176.117 -0.197 0.000 1.048 51 I CA -0.837 60.231 61.300 -0.387 0.000 1.062 51 I CB 1.033 38.604 38.000 -0.715 0.000 1.238 51 I HN 0.522 nan 8.210 nan 0.000 0.426 52 R N 5.887 126.296 120.500 -0.151 0.000 2.393 52 R HA 0.755 5.095 4.340 -0.001 0.000 0.315 52 R C -1.097 175.208 176.300 0.009 0.000 0.952 52 R CA -0.454 55.597 56.100 -0.083 0.000 0.842 52 R CB 1.665 31.806 30.300 -0.264 0.000 1.163 52 R HN 0.868 nan 8.270 nan 0.000 0.450 53 G N 2.658 111.493 108.800 0.059 0.000 2.684 53 G HA2 0.416 4.375 3.960 -0.001 0.000 0.290 53 G HA3 0.416 4.375 3.960 -0.001 0.000 0.290 53 G C -1.102 173.855 174.900 0.095 0.000 1.425 53 G CA -0.535 44.588 45.100 0.039 0.000 0.822 53 G HN 0.582 nan 8.290 nan 0.000 0.482 54 H N -0.937 118.249 119.070 0.194 0.000 2.437 54 H HA 0.564 5.120 4.556 -0.000 0.000 0.338 54 H C 1.519 176.851 175.328 0.006 0.000 1.495 54 H CA 0.211 56.291 56.048 0.054 0.000 1.453 54 H CB 0.717 30.607 29.762 0.212 0.000 1.707 54 H HN 1.516 nan 8.280 nan 0.000 0.655 55 G N -0.297 108.576 108.800 0.122 0.000 2.179 55 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.260 55 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.260 55 G C 1.162 176.104 174.900 0.070 0.000 0.977 55 G CA 0.671 45.833 45.100 0.103 0.000 0.641 55 G HN 0.571 nan 8.290 nan 0.000 0.533 56 L N 0.091 121.363 121.223 0.082 0.000 2.051 56 L HA 0.061 4.401 4.340 -0.001 0.000 0.214 56 L C 2.224 179.174 176.870 0.132 0.000 1.076 56 L CA 2.716 57.623 54.840 0.111 0.000 0.758 56 L CB -0.246 41.938 42.059 0.207 0.000 0.890 56 L HN 0.421 nan 8.230 nan 0.000 0.433 57 L N -1.110 120.210 121.223 0.161 0.000 2.667 57 L HA 0.119 4.459 4.340 -0.001 0.000 0.232 57 L C 0.823 177.836 176.870 0.238 0.000 1.138 57 L CA -0.650 54.309 54.840 0.198 0.000 0.921 57 L CB -0.269 41.928 42.059 0.230 0.000 1.180 57 L HN 0.203 nan 8.230 nan 0.000 0.487 58 C N 0.511 119.954 119.300 0.239 0.000 2.649 58 C HA -0.018 4.442 4.460 -0.001 0.000 0.377 58 C C 1.926 177.043 174.990 0.212 0.000 1.321 58 C CA -0.553 58.637 59.018 0.287 0.000 2.368 58 C CB 0.638 28.598 27.740 0.368 0.000 2.597 58 C HN 0.452 nan 8.230 nan 0.000 0.678 59 D N 0.899 121.426 120.400 0.213 0.000 2.312 59 D HA -0.117 4.523 4.640 -0.001 0.000 0.211 59 D C 1.655 178.036 176.300 0.134 0.000 0.964 59 D CA 1.088 55.187 54.000 0.165 0.000 0.877 59 D CB -0.245 40.648 40.800 0.155 0.000 0.924 59 D HN 0.748 nan 8.370 nan 0.000 0.515 60 D N 0.957 121.430 120.400 0.121 0.000 2.144 60 D HA -0.119 4.520 4.640 -0.001 0.000 0.200 60 D C 2.032 178.434 176.300 0.171 0.000 0.978 60 D CA 0.533 54.593 54.000 0.101 0.000 0.833 60 D CB -0.499 40.309 40.800 0.013 0.000 0.961 60 D HN 0.088 nan 8.370 nan 0.000 0.470 61 V N 0.718 120.712 119.914 0.134 0.000 2.667 61 V HA 0.047 4.166 4.120 -0.001 0.000 0.252 61 V C 1.835 178.057 176.094 0.213 0.000 1.065 61 V CA 1.033 63.453 62.300 0.200 0.000 1.083 61 V CB -1.187 30.681 31.823 0.075 0.000 0.692 61 V HN 0.553 nan 8.190 nan 0.000 0.468 62 G N 0.348 109.230 108.800 0.136 0.000 2.366 62 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.299 62 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.299 62 G C 0.561 175.472 174.900 0.017 0.000 1.020 62 G CA 0.782 45.923 45.100 0.068 0.000 1.026 62 G HN 0.493 nan 8.290 nan 0.000 0.512 63 I N -1.452 119.148 120.570 0.050 0.000 2.277 63 I HA 0.032 4.201 4.170 -0.001 0.000 0.243 63 I C 1.444 177.558 176.117 -0.006 0.000 1.094 63 I CA 0.595 61.875 61.300 -0.033 0.000 1.393 63 I CB -0.027 37.992 38.000 0.032 0.000 1.078 63 I HN 0.352 nan 8.210 nan 0.000 0.417 64 Y N 2.786 123.094 120.300 0.013 0.000 2.452 64 Y HA 0.391 4.941 4.550 -0.001 0.000 0.348 64 Y C 0.123 176.014 175.900 -0.015 0.000 0.985 64 Y CA -0.406 57.702 58.100 0.013 0.000 1.214 64 Y CB 0.132 38.648 38.460 0.093 0.000 1.136 64 Y HN -0.010 nan 8.280 nan 0.000 0.523 65 R N 3.025 123.145 120.500 -0.634 0.000 2.912 65 R HA 0.543 4.882 4.340 -0.001 0.000 0.262 65 R C -1.336 174.614 176.300 -0.582 0.000 1.057 65 R CA -1.092 54.759 56.100 -0.415 0.000 0.981 65 R CB 1.586 31.787 30.300 -0.166 0.000 1.201 65 R HN 0.699 nan 8.270 nan 0.000 0.484 66 E N 0.312 120.333 120.200 -0.298 0.000 2.290 66 E HA 0.317 4.666 4.350 -0.001 0.000 0.274 66 E C -1.316 175.201 176.600 -0.138 0.000 0.889 66 E CA -0.759 55.509 56.400 -0.220 0.000 0.760 66 E CB 2.243 31.874 29.700 -0.115 0.000 1.206 66 E HN 0.338 nan 8.360 nan 0.000 0.419 67 D N 1.675 122.006 120.400 -0.116 0.000 2.185 67 D HA 0.286 4.926 4.640 -0.001 0.000 0.247 67 D C -0.564 175.697 176.300 -0.064 0.000 1.027 67 D CA -0.509 53.430 54.000 -0.103 0.000 0.861 67 D CB 2.121 42.854 40.800 -0.112 0.000 1.202 67 D HN 0.204 nan 8.370 nan 0.000 0.453 68 V N -0.311 119.569 119.914 -0.057 0.000 2.347 68 V HA 0.559 4.679 4.120 -0.001 0.000 0.280 68 V C 0.097 176.170 176.094 -0.035 0.000 1.021 68 V CA -0.880 61.398 62.300 -0.036 0.000 0.847 68 V CB 1.180 32.986 31.823 -0.029 0.000 0.990 68 V HN 0.321 nan 8.190 nan 0.000 0.444 69 V N 3.428 123.327 119.914 -0.025 0.000 2.294 69 V HA 0.930 5.049 4.120 -0.001 0.000 0.258 69 V C 0.943 177.029 176.094 -0.013 0.000 1.080 69 V CA 0.468 62.755 62.300 -0.021 0.000 1.128 69 V CB -0.831 30.980 31.823 -0.019 0.000 1.323 69 V HN 1.956 nan 8.190 nan 0.000 0.498 70 G N 2.712 111.504 108.800 -0.013 0.000 2.972 70 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.265 70 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.265 70 G C 0.321 175.218 174.900 -0.005 0.000 1.506 70 G CA 0.530 45.625 45.100 -0.008 0.000 1.016 70 G HN 0.493 nan 8.290 nan 0.000 0.563 71 D N 1.426 121.825 120.400 -0.001 0.000 2.389 71 D HA 0.197 4.837 4.640 -0.001 0.000 0.206 71 D C 0.765 177.068 176.300 0.005 0.000 1.055 71 D CA 0.378 54.380 54.000 0.003 0.000 0.856 71 D CB 0.698 41.501 40.800 0.005 0.000 0.957 71 D HN 0.349 nan 8.370 nan 0.000 0.509 72 E N 0.975 121.177 120.200 0.003 0.000 2.290 72 E HA 0.178 4.527 4.350 -0.001 0.000 0.277 72 E C -0.907 175.694 176.600 0.002 0.000 1.035 72 E CA -0.072 56.331 56.400 0.006 0.000 0.873 72 E CB 1.130 30.832 29.700 0.004 0.000 1.029 72 E HN -0.271 nan 8.360 nan 0.000 0.419 73 V N 6.210 126.129 119.914 0.008 0.000 2.305 73 V HA 0.284 4.403 4.120 -0.001 0.000 0.275 73 V C -0.376 175.721 176.094 0.005 0.000 1.020 73 V CA -0.739 61.564 62.300 0.004 0.000 0.811 73 V CB 0.962 32.795 31.823 0.017 0.000 1.031 73 V HN 0.580 nan 8.190 nan 0.000 0.439 74 K N 6.388 126.779 120.400 -0.015 0.000 2.138 74 K HA 0.559 4.878 4.320 -0.001 0.000 0.263 74 K C -2.606 173.942 176.600 -0.088 0.000 0.965 74 K CA -1.732 54.541 56.287 -0.023 0.000 0.868 74 K CB 2.016 34.509 32.500 -0.011 0.000 1.083 74 K HN 0.349 nan 8.250 nan 0.000 0.443 75 P HA 0.163 nan 4.420 nan 0.000 0.281 75 P C -1.247 175.735 177.300 -0.531 0.000 1.249 75 P CA -0.323 62.536 63.100 -0.402 0.000 0.810 75 P CB 0.611 32.109 31.700 -0.337 0.000 1.008 76 F N 2.250 121.689 119.950 -0.852 0.000 2.539 76 F HA 0.426 4.953 4.527 -0.001 0.000 0.318 76 F C -1.211 174.072 175.800 -0.862 0.000 1.135 76 F CA -0.924 56.657 58.000 -0.699 0.000 0.915 76 F CB 1.306 40.055 39.000 -0.419 0.000 1.176 76 F HN 0.169 nan 8.300 nan 0.000 0.440 77 Y N 4.455 124.159 120.300 -0.994 0.000 2.385 77 Y HA 0.287 4.837 4.550 -0.000 0.000 0.341 77 Y C 0.039 175.183 175.900 -1.261 0.000 0.965 77 Y CA -0.708 56.823 58.100 -0.948 0.000 1.180 77 Y CB 0.640 38.602 38.460 -0.830 0.000 1.139 77 Y HN 0.508 nan 8.280 nan 0.000 0.502 78 N N 3.179 121.502 118.700 -0.629 0.000 2.426 78 N HA 0.254 4.994 4.740 -0.001 0.000 0.257 78 N C -0.745 174.461 175.510 -0.507 0.000 1.002 78 N CA -0.362 52.476 53.050 -0.354 0.000 0.942 78 N CB 0.306 38.775 38.487 -0.031 0.000 1.112 78 N HN 0.493 nan 8.380 nan 0.000 0.499 79 F N 0.771 120.653 119.950 -0.113 0.000 2.639 79 F HA 0.176 4.703 4.527 -0.000 0.000 0.302 79 F C 1.899 177.695 175.800 -0.007 0.000 1.097 79 F CA -0.305 57.624 58.000 -0.118 0.000 1.294 79 F CB 0.379 39.113 39.000 -0.442 0.000 1.027 79 F HN 0.393 nan 8.300 nan 0.000 0.550 80 T N -0.340 114.265 114.554 0.085 0.000 2.699 80 T HA -0.240 4.109 4.350 -0.001 0.000 0.268 80 T C 1.558 176.356 174.700 0.164 0.000 1.036 80 T CA 1.801 63.938 62.100 0.062 0.000 1.147 80 T CB -0.302 68.504 68.868 -0.105 0.000 0.862 80 T HN 0.202 nan 8.240 nan 0.000 0.446 81 Y N 1.207 121.525 120.300 0.031 0.000 2.176 81 Y HA 0.114 4.663 4.550 -0.001 0.000 0.291 81 Y C 2.268 178.132 175.900 -0.061 0.000 1.122 81 Y CA -0.527 57.558 58.100 -0.025 0.000 1.128 81 Y CB -1.099 37.327 38.460 -0.057 0.000 1.005 81 Y HN 0.242 nan 8.280 nan 0.000 0.509 82 I N -0.961 119.686 120.570 0.129 0.000 2.567 82 I HA -0.168 4.001 4.170 -0.001 0.000 0.257 82 I C 1.614 177.742 176.117 0.019 0.000 1.184 82 I CA 1.124 62.372 61.300 -0.087 0.000 1.451 82 I CB -0.905 37.077 38.000 -0.030 0.000 1.089 82 I HN -0.066 nan 8.210 nan 0.000 0.441 83 D N 1.263 121.799 120.400 0.226 0.000 2.078 83 D HA -0.163 4.476 4.640 -0.001 0.000 0.193 83 D C 2.308 178.727 176.300 0.198 0.000 0.990 83 D CA 1.315 55.495 54.000 0.300 0.000 0.827 83 D CB -0.330 40.642 40.800 0.286 0.000 0.975 83 D HN 0.308 nan 8.370 nan 0.000 0.451 84 R N 0.369 120.944 120.500 0.125 0.000 2.096 84 R HA -0.131 4.209 4.340 -0.001 0.000 0.240 84 R C 2.421 178.688 176.300 -0.056 0.000 1.139 84 R CA 1.077 57.211 56.100 0.056 0.000 0.952 84 R CB -0.400 29.934 30.300 0.058 0.000 0.854 84 R HN 0.205 nan 8.270 nan 0.000 0.436 85 I N -0.237 120.227 120.570 -0.176 0.000 2.113 85 I HA -0.316 3.854 4.170 -0.001 0.000 0.238 85 I C 2.177 178.009 176.117 -0.474 0.000 1.070 85 I CA 1.630 62.661 61.300 -0.448 0.000 1.332 85 I CB -0.413 37.227 38.000 -0.600 0.000 1.044 85 I HN 0.211 nan 8.210 nan 0.000 0.402 86 F N 0.728 120.438 119.950 -0.399 0.000 2.234 86 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 86 F C 2.213 177.884 175.800 -0.214 0.000 1.087 86 F CA 0.357 58.112 58.000 -0.408 0.000 1.340 86 F CB -0.201 38.559 39.000 -0.399 0.000 1.031 86 F HN 0.148 nan 8.300 nan 0.000 0.500 87 D N 0.118 120.631 120.400 0.189 0.000 2.117 87 D HA -0.167 4.473 4.640 -0.001 0.000 0.197 87 D C 2.331 178.682 176.300 0.085 0.000 0.987 87 D CA 1.760 55.878 54.000 0.198 0.000 0.829 87 D CB -0.335 40.587 40.800 0.203 0.000 0.961 87 D HN 0.172 nan 8.370 nan 0.000 0.460 88 S N -0.499 115.218 115.700 0.029 0.000 2.453 88 S HA -0.087 4.383 4.470 -0.001 0.000 0.231 88 S C 1.892 176.581 174.600 0.149 0.000 1.005 88 S CA 0.274 58.503 58.200 0.048 0.000 0.949 88 S CB -0.426 62.777 63.200 0.005 0.000 0.774 88 S HN 0.038 nan 8.310 nan 0.000 0.510 89 F N 2.081 121.993 119.950 -0.064 0.000 2.163 89 F HA 0.274 4.801 4.527 -0.001 0.000 0.297 89 F C 2.148 177.817 175.800 -0.219 0.000 1.094 89 F CA -0.079 57.823 58.000 -0.164 0.000 1.290 89 F CB -0.914 37.935 39.000 -0.252 0.000 1.017 89 F HN 0.217 nan 8.300 nan 0.000 0.483 90 L N -0.588 120.631 121.223 -0.007 0.000 2.109 90 L HA -0.151 4.189 4.340 -0.001 0.000 0.207 90 L C 2.339 179.185 176.870 -0.039 0.000 1.086 90 L CA 1.204 55.993 54.840 -0.084 0.000 0.760 90 L CB -0.724 41.283 42.059 -0.087 0.000 0.910 90 L HN 0.146 nan 8.230 nan 0.000 0.437 91 E N 1.173 121.378 120.200 0.008 0.000 2.085 91 E HA -0.243 4.106 4.350 -0.001 0.000 0.194 91 E C 2.181 178.773 176.600 -0.013 0.000 0.994 91 E CA 1.367 57.774 56.400 0.011 0.000 0.801 91 E CB -0.013 29.707 29.700 0.033 0.000 0.743 91 E HN 0.506 nan 8.360 nan 0.000 0.453 92 I N -0.294 120.265 120.570 -0.018 0.000 3.111 92 I HA -0.011 4.159 4.170 -0.001 0.000 0.272 92 I C 1.146 177.202 176.117 -0.102 0.000 1.268 92 I CA 0.646 61.916 61.300 -0.050 0.000 1.467 92 I CB 0.063 38.035 38.000 -0.048 0.000 1.087 92 I HN 0.346 nan 8.210 nan 0.000 0.467 93 G N 2.523 111.251 108.800 -0.121 0.000 2.325 93 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.248 93 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.248 93 G C -0.281 174.466 174.900 -0.255 0.000 1.108 93 G CA -0.143 44.858 45.100 -0.166 0.000 0.881 93 G HN 0.361 nan 8.290 nan 0.000 0.494 94 I N -0.334 120.045 120.570 -0.317 0.000 2.607 94 I HA 0.582 4.752 4.170 -0.001 0.000 0.290 94 I C -0.284 175.480 176.117 -0.588 0.000 1.129 94 I CA -1.346 59.672 61.300 -0.470 0.000 1.042 94 I CB 1.149 38.849 38.000 -0.499 0.000 1.242 94 I HN 0.062 nan 8.210 nan 0.000 0.421 95 R N 7.489 127.508 120.500 -0.802 0.000 2.457 95 R HA 0.517 4.857 4.340 -0.001 0.000 0.284 95 R C -2.613 173.174 176.300 -0.855 0.000 1.024 95 R CA -1.974 53.563 56.100 -0.938 0.000 1.025 95 R CB 0.808 30.386 30.300 -1.203 0.000 1.063 95 R HN 0.362 nan 8.270 nan 0.000 0.493 96 P HA 0.162 nan 4.420 nan 0.000 0.292 96 P C -0.848 176.212 177.300 -0.399 0.000 1.287 96 P CA -0.279 62.352 63.100 -0.783 0.000 0.800 96 P CB 0.494 31.376 31.700 -1.362 0.000 0.945 97 F N 4.760 124.541 119.950 -0.282 0.000 2.509 97 F HA 0.148 4.675 4.527 -0.001 0.000 0.344 97 F C 0.174 175.871 175.800 -0.172 0.000 1.197 97 F CA -0.975 56.872 58.000 -0.254 0.000 1.294 97 F CB 0.228 39.073 39.000 -0.259 0.000 1.643 97 F HN 0.011 nan 8.300 nan 0.000 0.596 98 V N 3.317 123.248 119.914 0.029 0.000 2.726 98 V HA -0.178 3.942 4.120 -0.001 0.000 0.304 98 V C 0.391 176.674 176.094 0.314 0.000 1.115 98 V CA 0.545 62.923 62.300 0.130 0.000 1.264 98 V CB 0.539 32.329 31.823 -0.055 0.000 0.867 98 V HN 0.630 nan 8.190 nan 0.000 0.498 99 E N 4.459 124.844 120.200 0.309 0.000 2.331 99 E HA 0.356 4.705 4.350 -0.001 0.000 0.243 99 E C -0.964 175.795 176.600 0.265 0.000 0.925 99 E CA -0.909 55.664 56.400 0.288 0.000 0.760 99 E CB 1.093 30.911 29.700 0.198 0.000 1.254 99 E HN 0.616 nan 8.360 nan 0.000 0.419 100 I N 3.492 124.278 120.570 0.360 0.000 2.668 100 I HA 0.264 4.434 4.170 -0.001 0.000 0.285 100 I C 0.890 177.188 176.117 0.302 0.000 1.168 100 I CA 1.431 62.945 61.300 0.357 0.000 1.424 100 I CB 0.814 39.068 38.000 0.423 0.000 1.377 100 I HN 0.697 nan 8.210 nan 0.000 0.560 101 G N 4.338 113.266 108.800 0.214 0.000 2.347 101 G HA2 0.054 4.014 3.960 -0.001 0.000 0.477 101 G HA3 0.054 4.014 3.960 -0.001 0.000 0.477 101 G C -0.698 174.088 174.900 -0.190 0.000 1.349 101 G CA -1.060 44.028 45.100 -0.019 0.000 1.000 101 G HN 0.230 nan 8.290 nan 0.000 0.605 102 F N -0.154 119.819 119.950 0.037 0.000 2.261 102 F HA 0.740 5.267 4.527 -0.000 0.000 0.228 102 F C 1.556 177.550 175.800 0.325 0.000 0.816 102 F CA -0.505 57.386 58.000 -0.183 0.000 1.114 102 F CB 0.254 39.181 39.000 -0.122 0.000 2.090 102 F HN 0.211 nan 8.300 nan 0.000 0.634 103 M N 2.948 122.981 119.600 0.723 0.000 2.084 103 M HA 0.262 4.742 4.480 -0.001 0.000 0.351 103 M C -2.364 174.174 176.300 0.396 0.000 1.240 103 M CA -2.254 53.412 55.300 0.611 0.000 1.083 103 M CB 0.574 33.503 32.600 0.549 0.000 1.593 103 M HN 0.059 nan 8.290 nan 0.000 0.463 104 P HA -0.004 nan 4.420 nan 0.000 0.268 104 P C 0.405 177.824 177.300 0.198 0.000 1.208 104 P CA -0.126 63.124 63.100 0.251 0.000 0.777 104 P CB 0.891 32.719 31.700 0.214 0.000 0.875 105 K N 2.041 122.556 120.400 0.190 0.000 2.002 105 K HA -0.120 4.200 4.320 -0.001 0.000 0.209 105 K C 1.544 178.228 176.600 0.139 0.000 1.048 105 K CA 1.732 58.107 56.287 0.146 0.000 0.930 105 K CB -0.448 32.128 32.500 0.126 0.000 0.714 105 K HN 0.459 nan 8.250 nan 0.000 0.438 106 K N 0.735 121.252 120.400 0.196 0.000 2.611 106 K HA 0.051 4.371 4.320 -0.001 0.000 0.193 106 K C 1.422 178.127 176.600 0.174 0.000 1.026 106 K CA 0.214 56.631 56.287 0.216 0.000 1.063 106 K CB 0.137 32.821 32.500 0.307 0.000 0.839 106 K HN 0.076 nan 8.250 nan 0.000 0.505 107 L N -0.952 120.310 121.223 0.065 0.000 2.948 107 L HA 0.234 4.574 4.340 -0.001 0.000 0.259 107 L C 0.563 177.442 176.870 0.015 0.000 1.136 107 L CA -0.214 54.612 54.840 -0.024 0.000 0.959 107 L CB 0.387 42.336 42.059 -0.184 0.000 1.370 107 L HN 0.011 nan 8.230 nan 0.000 0.552 108 A N 0.393 123.244 122.820 0.052 0.000 2.492 108 A HA 0.174 4.494 4.320 -0.001 0.000 0.236 108 A C 1.266 178.853 177.584 0.005 0.000 1.078 108 A CA 0.750 52.812 52.037 0.042 0.000 0.773 108 A CB 0.372 19.412 19.000 0.067 0.000 1.023 108 A HN 0.366 nan 8.150 nan 0.000 0.504 109 S N 0.533 116.219 115.700 -0.024 0.000 2.506 109 S HA 0.430 4.900 4.470 -0.001 0.000 0.219 109 S C 0.901 175.477 174.600 -0.041 0.000 1.031 109 S CA 0.538 58.715 58.200 -0.037 0.000 0.911 109 S CB -0.128 63.034 63.200 -0.065 0.000 0.812 109 S HN 1.402 nan 8.310 nan 0.000 0.497 110 G N 0.825 109.599 108.800 -0.044 0.000 3.262 110 G HA2 0.494 4.453 3.960 -0.001 0.000 0.229 110 G HA3 0.494 4.453 3.960 -0.001 0.000 0.229 110 G C 0.222 175.102 174.900 -0.032 0.000 1.280 110 G CA 0.193 45.263 45.100 -0.051 0.000 0.951 110 G HN 0.413 nan 8.290 nan 0.000 0.589 111 T N -2.894 111.633 114.554 -0.044 0.000 3.087 111 T HA 0.261 4.610 4.350 -0.001 0.000 0.283 111 T C 0.692 175.357 174.700 -0.058 0.000 0.956 111 T CA -0.042 62.036 62.100 -0.037 0.000 0.894 111 T CB 0.165 69.013 68.868 -0.034 0.000 1.160 111 T HN 0.427 nan 8.240 nan 0.000 0.532 112 Q N 2.884 122.637 119.800 -0.078 0.000 2.289 112 Q HA 0.342 4.682 4.340 -0.001 0.000 0.273 112 Q C -0.263 175.657 176.000 -0.134 0.000 1.029 112 Q CA 0.433 56.168 55.803 -0.112 0.000 0.896 112 Q CB 0.537 29.198 28.738 -0.129 0.000 1.182 112 Q HN 0.629 nan 8.270 nan 0.000 0.385 113 T N -0.215 114.230 114.554 -0.181 0.000 2.888 113 T HA 0.718 5.067 4.350 -0.001 0.000 0.288 113 T C -0.751 173.710 174.700 -0.398 0.000 1.063 113 T CA -0.844 61.107 62.100 -0.248 0.000 1.010 113 T CB 1.771 70.532 68.868 -0.178 0.000 1.214 113 T HN 0.410 nan 8.240 nan 0.000 0.533 114 V N 1.010 120.575 119.914 -0.583 0.000 2.962 114 V HA 0.810 4.929 4.120 -0.001 0.000 0.313 114 V C -1.259 174.372 176.094 -0.771 0.000 1.099 114 V CA -1.025 60.766 62.300 -0.848 0.000 0.971 114 V CB 0.720 31.711 31.823 -1.386 0.000 1.028 114 V HN 1.102 nan 8.190 nan 0.000 0.430 115 F N 2.682 122.334 119.950 -0.497 0.000 2.183 115 F HA -0.270 4.257 4.527 -0.000 0.000 0.318 115 F C 0.594 176.202 175.800 -0.320 0.000 0.914 115 F CA 0.908 58.628 58.000 -0.467 0.000 0.912 115 F CB -0.947 37.457 39.000 -0.994 0.000 4.135 115 F HN 0.835 nan 8.300 nan 0.000 0.137 116 Y N 2.035 122.328 120.300 -0.011 0.000 2.274 116 Y HA -0.167 4.382 4.550 -0.001 0.000 0.290 116 Y C 1.840 177.811 175.900 0.117 0.000 1.145 116 Y CA 1.924 60.057 58.100 0.056 0.000 1.203 116 Y CB -0.303 38.233 38.460 0.128 0.000 0.984 116 Y HN 0.458 nan 8.280 nan 0.000 0.533 117 W N 1.086 122.334 121.300 -0.086 0.000 3.180 117 W HA 0.265 4.925 4.660 -0.000 0.000 0.254 117 W C -0.499 175.982 176.519 -0.063 0.000 1.318 117 W CA 0.414 57.637 57.345 -0.204 0.000 1.608 117 W CB -1.366 28.066 29.460 -0.047 0.000 1.124 117 W HN 0.190 nan 8.180 nan 0.000 0.694 118 E N 0.603 120.717 120.200 -0.144 0.000 2.393 118 E HA -0.115 4.235 4.350 -0.001 0.000 0.169 118 E C 0.625 177.188 176.600 -0.062 0.000 1.591 118 E CA 0.558 56.870 56.400 -0.146 0.000 0.661 118 E CB -1.292 28.363 29.700 -0.074 0.000 1.097 118 E HN 0.355 nan 8.360 nan 0.000 0.356 119 G N 2.162 110.827 108.800 -0.225 0.000 2.353 119 G HA2 0.176 4.136 3.960 -0.001 0.000 0.284 119 G HA3 0.176 4.136 3.960 -0.001 0.000 0.284 119 G C 0.034 174.848 174.900 -0.143 0.000 1.172 119 G CA -0.529 44.567 45.100 -0.006 0.000 0.854 119 G HN 0.301 nan 8.290 nan 0.000 0.485 120 N N 1.856 120.594 118.700 0.063 0.000 2.468 120 N HA -0.015 4.725 4.740 -0.001 0.000 0.265 120 N C 0.652 176.244 175.510 0.136 0.000 1.199 120 N CA -0.165 52.926 53.050 0.068 0.000 0.928 120 N CB 1.498 40.074 38.487 0.148 0.000 1.059 120 N HN 0.080 nan 8.380 nan 0.000 0.467 121 V N 2.578 122.531 119.914 0.065 0.000 3.444 121 V HA 0.001 4.120 4.120 -0.001 0.000 0.308 121 V C 0.851 177.136 176.094 0.319 0.000 1.371 121 V CA 0.195 62.651 62.300 0.259 0.000 1.141 121 V CB -0.325 31.478 31.823 -0.034 0.000 1.037 121 V HN 0.790 nan 8.190 nan 0.000 0.433 122 T N -0.619 114.038 114.554 0.173 0.000 2.934 122 T HA 0.534 4.883 4.350 -0.001 0.000 0.283 122 T C -2.605 172.105 174.700 0.017 0.000 1.005 122 T CA -2.147 59.930 62.100 -0.039 0.000 1.041 122 T CB 2.153 70.973 68.868 -0.079 0.000 1.042 122 T HN 0.055 nan 8.240 nan 0.000 0.505 123 P HA 0.296 nan 4.420 nan 0.000 0.274 123 P C -2.647 174.507 177.300 -0.242 0.000 1.246 123 P CA -1.755 61.254 63.100 -0.151 0.000 0.795 123 P CB -0.463 31.145 31.700 -0.153 0.000 1.006 124 P HA 0.058 nan 4.420 nan 0.000 0.268 124 P C 0.412 177.564 177.300 -0.248 0.000 1.205 124 P CA 0.026 62.901 63.100 -0.375 0.000 0.771 124 P CB 0.635 32.005 31.700 -0.549 0.000 0.858 125 K N 1.404 121.747 120.400 -0.095 0.000 2.525 125 K HA -0.018 4.302 4.320 -0.001 0.000 0.192 125 K C -0.042 176.571 176.600 0.022 0.000 1.029 125 K CA 0.734 57.008 56.287 -0.022 0.000 1.029 125 K CB -0.124 32.377 32.500 0.003 0.000 0.814 125 K HN 0.354 nan 8.250 nan 0.000 0.503 126 D N -1.122 119.281 120.400 0.005 0.000 2.312 126 D HA 0.003 4.642 4.640 -0.001 0.000 0.229 126 D C -0.377 175.992 176.300 0.116 0.000 1.337 126 D CA -0.363 53.695 54.000 0.096 0.000 0.964 126 D CB -0.294 40.566 40.800 0.100 0.000 1.456 126 D HN -0.080 nan 8.370 nan 0.000 0.547 127 Y N 1.156 121.511 120.300 0.091 0.000 2.384 127 Y HA -0.121 4.429 4.550 -0.001 0.000 0.289 127 Y C 2.221 178.252 175.900 0.219 0.000 1.152 127 Y CA 0.956 59.141 58.100 0.142 0.000 1.258 127 Y CB 0.240 38.746 38.460 0.077 0.000 0.979 127 Y HN 0.402 nan 8.280 nan 0.000 0.549 128 E N 0.587 120.964 120.200 0.293 0.000 2.051 128 E HA -0.172 4.178 4.350 -0.001 0.000 0.192 128 E C 1.976 178.705 176.600 0.215 0.000 0.991 128 E CA 1.157 57.690 56.400 0.223 0.000 0.799 128 E CB -0.107 29.692 29.700 0.166 0.000 0.748 128 E HN 0.441 nan 8.360 nan 0.000 0.449 129 K N -0.092 120.431 120.400 0.206 0.000 2.097 129 K HA -0.141 4.179 4.320 -0.001 0.000 0.206 129 K C 2.017 178.745 176.600 0.214 0.000 1.049 129 K CA 1.111 57.522 56.287 0.205 0.000 0.933 129 K CB -0.295 32.310 32.500 0.174 0.000 0.717 129 K HN 0.305 nan 8.250 nan 0.000 0.442 130 W N 1.303 122.611 121.300 0.012 0.000 2.381 130 W HA -0.161 4.499 4.660 -0.000 0.000 0.301 130 W C 2.002 178.549 176.519 0.045 0.000 1.205 130 W CA 1.571 58.908 57.345 -0.013 0.000 1.285 130 W CB -0.469 28.941 29.460 -0.083 0.000 1.133 130 W HN 0.043 nan 8.180 nan 0.000 0.521 131 S N 0.877 116.707 115.700 0.217 0.000 2.368 131 S HA -0.194 4.276 4.470 -0.001 0.000 0.225 131 S C 1.411 175.988 174.600 -0.038 0.000 1.030 131 S CA 1.953 60.203 58.200 0.083 0.000 0.999 131 S CB -0.545 62.770 63.200 0.192 0.000 0.844 131 S HN 0.240 nan 8.310 nan 0.000 0.459 132 D N 1.135 121.557 120.400 0.036 0.000 2.219 132 D HA -0.041 4.598 4.640 -0.001 0.000 0.205 132 D C 1.970 178.207 176.300 -0.106 0.000 0.970 132 D CA 0.496 54.510 54.000 0.024 0.000 0.851 132 D CB -0.317 40.572 40.800 0.148 0.000 0.943 132 D HN 0.362 nan 8.370 nan 0.000 0.488 133 L N 0.932 122.101 121.223 -0.091 0.000 1.976 133 L HA -0.161 4.179 4.340 -0.001 0.000 0.209 133 L C 2.396 179.037 176.870 -0.382 0.000 1.071 133 L CA 1.122 55.851 54.840 -0.186 0.000 0.746 133 L CB -0.317 41.679 42.059 -0.104 0.000 0.890 133 L HN -0.108 nan 8.230 nan 0.000 0.432 134 V N 0.493 120.127 119.914 -0.465 0.000 2.282 134 V HA -0.350 3.769 4.120 -0.001 0.000 0.249 134 V C 2.542 178.430 176.094 -0.343 0.000 1.057 134 V CA 2.185 64.226 62.300 -0.432 0.000 1.032 134 V CB -0.613 30.930 31.823 -0.467 0.000 0.645 134 V HN 0.465 nan 8.190 nan 0.000 0.447 135 K N 0.047 120.274 120.400 -0.290 0.000 2.097 135 K HA -0.090 4.229 4.320 -0.001 0.000 0.206 135 K C 2.259 178.711 176.600 -0.246 0.000 1.049 135 K CA 1.376 57.497 56.287 -0.275 0.000 0.933 135 K CB -0.398 32.026 32.500 -0.126 0.000 0.717 135 K HN 0.491 nan 8.250 nan 0.000 0.442 136 A N 0.868 123.523 122.820 -0.274 0.000 1.969 136 A HA -0.094 4.226 4.320 -0.001 0.000 0.218 136 A C 2.312 179.794 177.584 -0.170 0.000 1.169 136 A CA 1.185 53.060 52.037 -0.270 0.000 0.635 136 A CB -0.441 18.046 19.000 -0.854 0.000 0.810 136 A HN 0.056 nan 8.150 nan 0.000 0.445 137 V N 0.009 119.766 119.914 -0.262 0.000 2.283 137 V HA -0.224 3.895 4.120 -0.001 0.000 0.243 137 V C 2.554 178.265 176.094 -0.639 0.000 1.039 137 V CA 1.889 63.982 62.300 -0.345 0.000 1.016 137 V CB -0.800 30.825 31.823 -0.331 0.000 0.650 137 V HN 0.567 nan 8.190 nan 0.000 0.449 138 L N -0.793 120.147 121.223 -0.472 0.000 2.042 138 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 138 L C 2.693 179.421 176.870 -0.236 0.000 1.076 138 L CA 1.600 56.242 54.840 -0.331 0.000 0.749 138 L CB -0.915 40.917 42.059 -0.379 0.000 0.893 138 L HN 0.415 nan 8.230 nan 0.000 0.432 139 H N -1.471 117.500 119.070 -0.166 0.000 2.387 139 H HA -0.195 4.360 4.556 -0.001 0.000 0.299 139 H C 2.234 177.474 175.328 -0.147 0.000 1.090 139 H CA 1.640 57.613 56.048 -0.124 0.000 1.332 139 H CB -0.331 29.366 29.762 -0.109 0.000 1.386 139 H HN 0.441 nan 8.280 nan 0.000 0.516 140 H N 0.214 119.151 119.070 -0.223 0.000 2.357 140 H HA -0.103 4.452 4.556 -0.000 0.000 0.301 140 H C 2.138 177.393 175.328 -0.123 0.000 1.082 140 H CA 1.099 56.908 56.048 -0.399 0.000 1.342 140 H CB -0.278 28.776 29.762 -1.181 0.000 1.389 140 H HN 0.278 nan 8.280 nan 0.000 0.511 141 F N 0.589 120.477 119.950 -0.104 0.000 2.069 141 F HA -0.264 4.262 4.527 -0.000 0.000 0.298 141 F C 2.764 178.524 175.800 -0.067 0.000 1.113 141 F CA 0.235 58.297 58.000 0.103 0.000 1.214 141 F CB -0.076 39.129 39.000 0.340 0.000 0.978 141 F HN 0.151 nan 8.300 nan 0.000 0.474 142 I N -0.104 120.528 120.570 0.105 0.000 2.194 142 I HA -0.328 3.841 4.170 -0.001 0.000 0.246 142 I C 2.669 178.742 176.117 -0.074 0.000 1.093 142 I CA 1.504 62.801 61.300 -0.005 0.000 1.355 142 I CB -1.640 36.366 38.000 0.009 0.000 1.046 142 I HN 0.135 nan 8.210 nan 0.000 0.413 143 S N 0.435 116.051 115.700 -0.141 0.000 2.368 143 S HA -0.229 4.241 4.470 -0.001 0.000 0.225 143 S C 2.250 176.681 174.600 -0.282 0.000 1.030 143 S CA 1.790 59.867 58.200 -0.204 0.000 0.999 143 S CB -0.072 62.980 63.200 -0.246 0.000 0.844 143 S HN 0.530 nan 8.310 nan 0.000 0.459 144 R N -1.341 118.880 120.500 -0.465 0.000 2.128 144 R HA 0.105 4.445 4.340 -0.001 0.000 0.211 144 R C 1.426 177.427 176.300 -0.498 0.000 1.067 144 R CA 1.005 56.760 56.100 -0.575 0.000 1.010 144 R CB -0.356 29.402 30.300 -0.903 0.000 0.922 144 R HN 0.555 nan 8.270 nan 0.000 0.457 145 Y N 0.282 120.550 120.300 -0.054 0.000 2.462 145 Y HA 0.378 4.928 4.550 -0.001 0.000 0.261 145 Y C 0.729 176.571 175.900 -0.096 0.000 1.146 145 Y CA 0.012 58.084 58.100 -0.047 0.000 1.283 145 Y CB 1.032 39.477 38.460 -0.026 0.000 1.090 145 Y HN 0.357 nan 8.280 nan 0.000 0.526 146 G N 1.070 109.866 108.800 -0.005 0.000 2.722 146 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.686 146 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.686 146 G C 0.117 174.975 174.900 -0.070 0.000 1.282 146 G CA -0.211 44.868 45.100 -0.034 0.000 0.817 146 G HN 0.242 nan 8.290 nan 0.000 0.605 147 I N 0.526 121.057 120.570 -0.064 0.000 2.394 147 I HA -0.025 4.145 4.170 -0.001 0.000 0.251 147 I C 2.200 178.258 176.117 -0.099 0.000 1.136 147 I CA 2.561 63.814 61.300 -0.078 0.000 1.425 147 I CB -0.223 37.750 38.000 -0.044 0.000 1.079 147 I HN 0.824 nan 8.210 nan 0.000 0.425 148 E N 0.000 120.155 120.200 -0.075 0.000 2.118 148 E HA -0.261 4.089 4.350 -0.001 0.000 0.195 148 E C 1.967 178.500 176.600 -0.111 0.000 0.992 148 E CA 1.117 57.475 56.400 -0.069 0.000 0.804 148 E CB -0.010 29.664 29.700 -0.042 0.000 0.741 148 E HN 0.467 nan 8.360 nan 0.000 0.458 149 E N 0.142 120.250 120.200 -0.154 0.000 2.008 149 E HA -0.118 4.231 4.350 -0.001 0.000 0.191 149 E C 2.263 178.502 176.600 -0.602 0.000 0.986 149 E CA 0.986 57.245 56.400 -0.234 0.000 0.807 149 E CB -0.424 29.182 29.700 -0.156 0.000 0.766 149 E HN 0.127 nan 8.360 nan 0.000 0.450 150 V N 2.037 121.449 119.914 -0.837 0.000 2.370 150 V HA -0.276 3.844 4.120 -0.001 0.000 0.252 150 V C 2.658 178.407 176.094 -0.575 0.000 1.068 150 V CA 1.528 63.099 62.300 -1.215 0.000 1.061 150 V CB -0.622 30.857 31.823 -0.574 0.000 0.656 150 V HN 0.279 nan 8.190 nan 0.000 0.455 151 L N -0.559 120.502 121.223 -0.271 0.000 2.450 151 L HA -0.202 4.138 4.340 -0.001 0.000 0.225 151 L C 2.244 179.104 176.870 -0.017 0.000 1.145 151 L CA 1.466 56.261 54.840 -0.075 0.000 0.801 151 L CB -0.392 41.638 42.059 -0.048 0.000 0.924 151 L HN 0.413 nan 8.230 nan 0.000 0.447 152 K N -1.603 118.758 120.400 -0.064 0.000 2.367 152 K HA 0.012 4.332 4.320 -0.001 0.000 0.194 152 K C -0.453 176.328 176.600 0.302 0.000 1.027 152 K CA -0.149 56.208 56.287 0.118 0.000 1.075 152 K CB 0.306 32.887 32.500 0.135 0.000 0.845 152 K HN 0.085 nan 8.250 nan 0.000 0.529 153 W N 4.065 125.335 121.300 -0.050 0.000 2.332 153 W HA 0.260 4.920 4.660 -0.001 0.000 0.306 153 W C -2.370 173.912 176.519 -0.395 0.000 1.149 153 W CA -3.546 53.652 57.345 -0.244 0.000 1.271 153 W CB -0.077 29.140 29.460 -0.406 0.000 1.243 153 W HN -0.127 nan 8.180 nan 0.000 0.459 154 P HA 0.310 nan 4.420 nan 0.000 0.277 154 P C -1.077 176.109 177.300 -0.190 0.000 1.240 154 P CA -0.238 62.675 63.100 -0.311 0.000 0.798 154 P CB 1.110 32.177 31.700 -1.055 0.000 0.979 155 F N 0.123 120.335 119.950 0.436 0.000 2.434 155 F HA 0.318 4.844 4.527 -0.001 0.000 0.355 155 F C 0.941 177.115 175.800 0.622 0.000 1.115 155 F CA -0.625 57.663 58.000 0.480 0.000 1.010 155 F CB 1.512 40.718 39.000 0.344 0.000 1.234 155 F HN 0.257 nan 8.300 nan 0.000 0.439 156 E N 4.106 124.778 120.200 0.787 0.000 2.259 156 E HA 0.329 4.678 4.350 -0.001 0.000 0.281 156 E C -0.718 176.171 176.600 0.482 0.000 1.027 156 E CA -0.569 56.237 56.400 0.677 0.000 0.838 156 E CB 0.845 30.907 29.700 0.603 0.000 1.066 156 E HN 0.369 nan 8.360 nan 0.000 0.401 157 I N 6.516 127.348 120.570 0.437 0.000 2.301 157 I HA 0.114 4.284 4.170 -0.001 0.000 0.292 157 I C 0.553 177.015 176.117 0.576 0.000 1.046 157 I CA 0.033 61.615 61.300 0.470 0.000 1.282 157 I CB -0.734 37.495 38.000 0.382 0.000 1.409 157 I HN 0.821 nan 8.210 nan 0.000 0.484 158 W N 4.878 126.313 121.300 0.226 0.000 3.082 158 W HA -0.305 4.354 4.660 -0.001 0.000 0.313 158 W C -0.641 175.884 176.519 0.011 0.000 0.322 158 W CA 0.167 57.578 57.345 0.111 0.000 0.459 158 W CB -0.224 29.281 29.460 0.075 0.000 2.841 158 W HN 0.669 nan 8.180 nan 0.000 0.416 159 N N 0.662 119.277 118.700 -0.143 0.000 2.287 159 N HA 0.241 4.981 4.740 -0.001 0.000 0.289 159 N C -1.065 174.321 175.510 -0.208 0.000 1.066 159 N CA 0.184 53.108 53.050 -0.211 0.000 0.841 159 N CB 1.083 39.320 38.487 -0.417 0.000 1.599 159 N HN 0.314 nan 8.380 nan 0.000 0.476 160 E N 1.547 121.501 120.200 -0.410 0.000 2.024 160 E HA -0.181 4.169 4.350 -0.001 0.000 0.171 160 E C -1.641 174.774 176.600 -0.308 0.000 1.417 160 E CA 0.159 56.270 56.400 -0.481 0.000 0.650 160 E CB -0.334 29.033 29.700 -0.554 0.000 1.044 160 E HN 0.561 nan 8.360 nan 0.000 0.308 161 P HA -0.172 nan 4.420 nan 0.000 0.239 161 P C 0.633 177.594 177.300 -0.565 0.000 1.184 161 P CA 0.932 63.781 63.100 -0.417 0.000 0.760 161 P CB 0.074 31.139 31.700 -1.058 0.000 0.884 162 N N -0.065 118.042 118.700 -0.988 0.000 2.467 162 N HA -0.009 4.731 4.740 -0.001 0.000 0.184 162 N C 0.320 175.669 175.510 -0.269 0.000 1.106 162 N CA 0.177 52.608 53.050 -1.032 0.000 0.892 162 N CB -0.241 37.370 38.487 -1.460 0.000 0.969 162 N HN 0.227 nan 8.380 nan 0.000 0.454 163 L N 0.910 122.074 121.223 -0.098 0.000 2.317 163 L HA 0.310 4.650 4.340 -0.001 0.000 0.281 163 L C 1.219 178.154 176.870 0.109 0.000 1.024 163 L CA -0.746 54.130 54.840 0.061 0.000 0.810 163 L CB 2.000 44.177 42.059 0.197 0.000 1.240 163 L HN -0.161 nan 8.230 nan 0.000 0.427 164 K N 1.132 121.558 120.400 0.044 0.000 2.209 164 K HA -0.172 4.148 4.320 -0.001 0.000 0.204 164 K C 1.143 177.695 176.600 -0.081 0.000 1.048 164 K CA 1.267 57.553 56.287 -0.003 0.000 0.940 164 K CB 0.118 32.601 32.500 -0.028 0.000 0.729 164 K HN 0.538 nan 8.250 nan 0.000 0.451 165 E N 0.108 120.201 120.200 -0.177 0.000 2.152 165 E HA -0.084 4.266 4.350 -0.001 0.000 0.192 165 E C 1.248 177.455 176.600 -0.656 0.000 0.983 165 E CA 1.054 57.165 56.400 -0.482 0.000 0.818 165 E CB -0.080 29.185 29.700 -0.725 0.000 0.758 165 E HN 0.299 nan 8.360 nan 0.000 0.467 166 F N -1.772 118.123 119.950 -0.091 0.000 2.714 166 F HA 0.238 4.765 4.527 -0.000 0.000 0.294 166 F C 0.531 176.619 175.800 0.480 0.000 1.120 166 F CA 0.005 58.002 58.000 -0.006 0.000 1.398 166 F CB 0.562 39.562 39.000 0.001 0.000 1.120 166 F HN -0.051 nan 8.300 nan 0.000 0.589 167 W N 1.796 123.220 121.300 0.206 0.000 3.042 167 W HA 0.294 4.954 4.660 0.000 0.000 0.337 167 W C -0.701 175.826 176.519 0.014 0.000 1.086 167 W CA -1.506 55.920 57.345 0.136 0.000 1.236 167 W CB 1.100 30.597 29.460 0.062 0.000 1.381 167 W HN -0.442 nan 8.180 nan 0.000 0.472 168 K N 5.413 125.562 120.400 -0.417 0.000 2.440 168 K HA -0.144 4.176 4.320 -0.001 0.000 0.275 168 K C 0.491 176.855 176.600 -0.393 0.000 1.082 168 K CA 1.437 57.465 56.287 -0.432 0.000 1.135 168 K CB 0.230 32.411 32.500 -0.531 0.000 0.864 168 K HN 0.535 nan 8.250 nan 0.000 0.479 169 D N 2.956 123.239 120.400 -0.195 0.000 2.955 169 D HA -0.286 4.354 4.640 -0.001 0.000 0.226 169 D C 0.136 176.413 176.300 -0.038 0.000 1.178 169 D CA 1.166 55.098 54.000 -0.114 0.000 0.808 169 D CB -1.157 39.564 40.800 -0.132 0.000 1.099 169 D HN 0.881 nan 8.370 nan 0.000 0.421 170 A N 0.074 122.907 122.820 0.022 0.000 2.783 170 A HA -0.281 4.039 4.320 -0.001 0.000 0.292 170 A C 0.473 178.237 177.584 0.300 0.000 1.495 170 A CA 1.249 53.432 52.037 0.242 0.000 0.787 170 A CB -1.166 17.983 19.000 0.249 0.000 1.017 170 A HN 0.398 nan 8.150 nan 0.000 0.516 171 D N 0.145 120.574 120.400 0.048 0.000 2.380 171 D HA 0.084 4.724 4.640 -0.001 0.000 0.270 171 D C 1.218 177.637 176.300 0.199 0.000 1.363 171 D CA 0.801 54.811 54.000 0.016 0.000 1.057 171 D CB 0.109 40.796 40.800 -0.189 0.000 1.096 171 D HN 0.746 nan 8.370 nan 0.000 0.524 172 E N 3.510 123.706 120.200 -0.006 0.000 2.070 172 E HA -0.261 4.088 4.350 -0.001 0.000 0.197 172 E C 1.654 177.806 176.600 -0.747 0.000 1.004 172 E CA 1.134 57.168 56.400 -0.609 0.000 0.805 172 E CB 0.176 29.167 29.700 -1.182 0.000 0.744 172 E HN 0.364 nan 8.360 nan 0.000 0.451 173 K N 0.026 120.159 120.400 -0.445 0.000 2.147 173 K HA -0.176 4.144 4.320 -0.001 0.000 0.205 173 K C 2.100 178.604 176.600 -0.159 0.000 1.049 173 K CA 1.278 57.375 56.287 -0.317 0.000 0.936 173 K CB 0.100 32.513 32.500 -0.146 0.000 0.722 173 K HN 0.068 nan 8.250 nan 0.000 0.446 174 E N -0.180 120.011 120.200 -0.015 0.000 2.107 174 E HA -0.169 4.181 4.350 -0.001 0.000 0.191 174 E C 1.712 178.492 176.600 0.300 0.000 0.982 174 E CA 0.762 57.243 56.400 0.135 0.000 0.809 174 E CB -0.250 29.521 29.700 0.118 0.000 0.756 174 E HN 0.369 nan 8.360 nan 0.000 0.459 175 Y N 0.696 121.171 120.300 0.292 0.000 2.128 175 Y HA -0.213 4.337 4.550 -0.001 0.000 0.284 175 Y C 2.044 178.022 175.900 0.130 0.000 1.154 175 Y CA 1.634 59.777 58.100 0.071 0.000 1.149 175 Y CB -0.790 37.679 38.460 0.015 0.000 0.976 175 Y HN -0.007 nan 8.280 nan 0.000 0.505 176 F N 0.358 120.142 119.950 -0.277 0.000 2.202 176 F HA -0.233 4.294 4.527 -0.000 0.000 0.301 176 F C 2.560 178.141 175.800 -0.364 0.000 1.082 176 F CA 1.194 58.810 58.000 -0.639 0.000 1.313 176 F CB -0.238 37.926 39.000 -1.393 0.000 1.024 176 F HN 0.055 nan 8.300 nan 0.000 0.495 177 K N 1.153 121.532 120.400 -0.036 0.000 2.103 177 K HA -0.140 4.180 4.320 -0.001 0.000 0.204 177 K C 2.116 178.723 176.600 0.012 0.000 1.052 177 K CA 0.634 56.911 56.287 -0.017 0.000 0.945 177 K CB -0.111 32.303 32.500 -0.144 0.000 0.722 177 K HN 0.296 nan 8.250 nan 0.000 0.443 178 L N 0.412 121.652 121.223 0.028 0.000 2.005 178 L HA -0.209 4.131 4.340 -0.001 0.000 0.207 178 L C 2.311 179.191 176.870 0.018 0.000 1.072 178 L CA 1.588 56.448 54.840 0.033 0.000 0.744 178 L CB -0.473 41.426 42.059 -0.267 0.000 0.895 178 L HN 0.288 nan 8.230 nan 0.000 0.433 179 Y N 1.007 121.170 120.300 -0.228 0.000 2.114 179 Y HA -0.389 4.160 4.550 -0.001 0.000 0.282 179 Y C 2.788 178.768 175.900 0.133 0.000 1.165 179 Y CA 2.500 60.556 58.100 -0.074 0.000 1.148 179 Y CB -0.138 38.263 38.460 -0.098 0.000 0.972 179 Y HN 0.124 nan 8.280 nan 0.000 0.504 180 K N -0.504 120.102 120.400 0.344 0.000 2.002 180 K HA -0.152 4.167 4.320 -0.001 0.000 0.209 180 K C 1.899 178.580 176.600 0.134 0.000 1.048 180 K CA 1.859 58.314 56.287 0.280 0.000 0.930 180 K CB -0.425 32.287 32.500 0.353 0.000 0.714 180 K HN 0.268 nan 8.250 nan 0.000 0.438 181 V N 1.321 121.331 119.914 0.160 0.000 2.392 181 V HA -0.240 3.880 4.120 -0.001 0.000 0.249 181 V C 2.202 178.434 176.094 0.230 0.000 1.059 181 V CA 2.325 64.751 62.300 0.210 0.000 1.051 181 V CB -0.657 31.374 31.823 0.347 0.000 0.658 181 V HN 0.501 nan 8.190 nan 0.000 0.455 182 T N 0.326 115.028 114.554 0.247 0.000 2.770 182 T HA -0.034 4.316 4.350 -0.001 0.000 0.263 182 T C 2.103 176.789 174.700 -0.024 0.000 1.039 182 T CA 1.343 63.564 62.100 0.201 0.000 1.142 182 T CB -0.435 68.617 68.868 0.306 0.000 0.868 182 T HN 0.540 nan 8.240 nan 0.000 0.435 183 A N 1.713 124.431 122.820 -0.169 0.000 1.978 183 A HA -0.128 4.192 4.320 -0.001 0.000 0.220 183 A C 2.231 179.766 177.584 -0.082 0.000 1.170 183 A CA 1.875 53.783 52.037 -0.216 0.000 0.636 183 A CB -0.520 18.265 19.000 -0.358 0.000 0.810 183 A HN 0.484 nan 8.150 nan 0.000 0.448 184 K N -0.411 119.974 120.400 -0.026 0.000 2.031 184 K HA 0.017 4.337 4.320 -0.001 0.000 0.205 184 K C 2.214 178.802 176.600 -0.019 0.000 1.049 184 K CA 1.054 57.339 56.287 -0.004 0.000 0.939 184 K CB -0.358 32.160 32.500 0.030 0.000 0.717 184 K HN 0.310 nan 8.250 nan 0.000 0.438 185 A N 1.706 124.519 122.820 -0.011 0.000 1.892 185 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 185 A C 2.117 179.630 177.584 -0.118 0.000 1.188 185 A CA 1.742 53.752 52.037 -0.046 0.000 0.631 185 A CB -0.698 18.276 19.000 -0.044 0.000 0.822 185 A HN 0.371 nan 8.150 nan 0.000 0.447 186 I N -0.568 119.912 120.570 -0.151 0.000 2.142 186 I HA -0.254 3.916 4.170 -0.001 0.000 0.240 186 I C 2.238 178.256 176.117 -0.165 0.000 1.078 186 I CA 1.439 62.603 61.300 -0.227 0.000 1.343 186 I CB -0.282 37.558 38.000 -0.267 0.000 1.046 186 I HN 0.167 nan 8.210 nan 0.000 0.405 187 K N 0.746 121.086 120.400 -0.099 0.000 2.280 187 K HA -0.174 4.145 4.320 -0.001 0.000 0.202 187 K C 1.823 178.395 176.600 -0.047 0.000 1.047 187 K CA 1.121 57.375 56.287 -0.056 0.000 0.942 187 K CB -0.278 32.206 32.500 -0.026 0.000 0.739 187 K HN 0.491 nan 8.250 nan 0.000 0.457 188 E N 0.293 120.460 120.200 -0.055 0.000 2.072 188 E HA -0.117 4.232 4.350 -0.001 0.000 0.191 188 E C 2.015 178.597 176.600 -0.030 0.000 0.985 188 E CA 0.891 57.273 56.400 -0.029 0.000 0.801 188 E CB 0.109 29.798 29.700 -0.018 0.000 0.750 188 E HN -0.031 nan 8.360 nan 0.000 0.452 189 V N 1.056 120.910 119.914 -0.100 0.000 2.295 189 V HA -0.143 3.977 4.120 -0.001 0.000 0.246 189 V C 1.072 177.132 176.094 -0.057 0.000 1.049 189 V CA 1.116 63.336 62.300 -0.133 0.000 1.024 189 V CB -0.261 31.321 31.823 -0.402 0.000 0.648 189 V HN 0.271 nan 8.190 nan 0.000 0.447 190 N N -0.896 117.761 118.700 -0.071 0.000 2.600 190 N HA 0.068 4.808 4.740 -0.001 0.000 0.272 190 N C 0.222 175.717 175.510 -0.025 0.000 1.095 190 N CA -0.248 52.782 53.050 -0.034 0.000 0.993 190 N CB 1.982 40.449 38.487 -0.033 0.000 1.603 190 N HN 0.244 nan 8.380 nan 0.000 0.526 191 E N 1.806 122.003 120.200 -0.006 0.000 2.401 191 E HA -0.033 4.316 4.350 -0.001 0.000 0.199 191 E C 0.343 176.957 176.600 0.023 0.000 1.023 191 E CA 0.937 57.340 56.400 0.006 0.000 0.859 191 E CB 0.293 30.000 29.700 0.011 0.000 0.780 191 E HN 0.430 nan 8.360 nan 0.000 0.523 192 N N -0.106 118.609 118.700 0.025 0.000 2.299 192 N HA 0.045 4.784 4.740 -0.001 0.000 0.187 192 N C -0.045 175.509 175.510 0.073 0.000 1.099 192 N CA 0.092 53.169 53.050 0.046 0.000 0.867 192 N CB 0.376 38.884 38.487 0.035 0.000 0.974 192 N HN 0.144 nan 8.380 nan 0.000 0.477 193 L N 1.892 123.155 121.223 0.066 0.000 2.490 193 L HA 0.042 4.382 4.340 -0.001 0.000 0.274 193 L C 0.623 177.616 176.870 0.206 0.000 1.201 193 L CA 0.323 55.243 54.840 0.133 0.000 0.869 193 L CB 0.371 42.450 42.059 0.033 0.000 1.123 193 L HN -0.220 nan 8.230 nan 0.000 0.484 194 K N 2.872 123.467 120.400 0.324 0.000 2.276 194 K HA 0.473 4.792 4.320 -0.001 0.000 0.283 194 K C -0.681 176.262 176.600 0.571 0.000 1.044 194 K CA -0.298 56.225 56.287 0.395 0.000 0.944 194 K CB 1.791 34.495 32.500 0.340 0.000 1.012 194 K HN 0.312 nan 8.250 nan 0.000 0.472 195 V N 1.547 121.729 119.914 0.447 0.000 2.971 195 V HA 0.853 4.973 4.120 -0.001 0.000 0.309 195 V C -0.686 175.326 176.094 -0.136 0.000 1.130 195 V CA -0.151 62.338 62.300 0.315 0.000 0.964 195 V CB 1.982 33.891 31.823 0.143 0.000 1.029 195 V HN 0.953 nan 8.190 nan 0.000 0.427 196 G N 2.508 111.015 108.800 -0.489 0.000 2.548 196 G HA2 0.857 4.817 3.960 -0.001 0.000 0.301 196 G HA3 0.857 4.817 3.960 -0.001 0.000 0.301 196 G C -0.419 174.422 174.900 -0.099 0.000 1.349 196 G CA 0.098 44.768 45.100 -0.717 0.000 0.792 196 G HN 1.667 nan 8.290 nan 0.000 0.481 197 G N -1.608 107.093 108.800 -0.166 0.000 2.500 197 G HA2 0.680 4.639 3.960 -0.001 0.000 0.299 197 G HA3 0.680 4.639 3.960 -0.001 0.000 0.299 197 G C -2.551 172.019 174.900 -0.551 0.000 1.242 197 G CA 0.343 45.291 45.100 -0.253 0.000 0.859 197 G HN 0.555 nan 8.290 nan 0.000 0.481 198 P HA 0.234 nan 4.420 nan 0.000 0.255 198 P C 0.916 178.011 177.300 -0.341 0.000 1.248 198 P CA 1.477 64.301 63.100 -0.461 0.000 0.807 198 P CB 0.966 32.479 31.700 -0.313 0.000 1.150 199 A N 0.194 122.862 122.820 -0.254 0.000 2.945 199 A HA -0.200 4.119 4.320 -0.001 0.000 0.251 199 A C 0.635 177.843 177.584 -0.626 0.000 1.355 199 A CA 0.726 52.571 52.037 -0.322 0.000 0.905 199 A CB -2.879 16.030 19.000 -0.151 0.000 1.104 199 A HN 0.511 nan 8.150 nan 0.000 0.733 200 I N -2.363 117.873 120.570 -0.556 0.000 3.269 200 I HA 0.567 4.737 4.170 -0.001 0.000 0.287 200 I C 0.814 176.601 176.117 -0.551 0.000 1.152 200 I CA -0.469 60.463 61.300 -0.614 0.000 1.263 200 I CB 0.856 38.517 38.000 -0.566 0.000 1.439 200 I HN 0.951 nan 8.210 nan 0.000 0.637 201 C N 1.233 120.296 119.300 -0.394 0.000 2.707 201 C HA 0.813 5.273 4.460 -0.001 0.000 0.313 201 C C 0.792 175.732 174.990 -0.083 0.000 1.209 201 C CA -0.355 58.556 59.018 -0.178 0.000 1.635 201 C CB 0.469 28.160 27.740 -0.082 0.000 2.206 201 C HN 1.233 nan 8.230 nan 0.000 0.485 202 G N 0.789 109.610 108.800 0.036 0.000 2.134 202 G HA2 0.430 4.389 3.960 -0.001 0.000 0.246 202 G HA3 0.430 4.389 3.960 -0.001 0.000 0.246 202 G C 1.182 176.111 174.900 0.048 0.000 1.024 202 G CA 0.713 45.856 45.100 0.072 0.000 0.895 202 G HN 2.772 nan 8.290 nan 0.000 0.420 203 G N 0.387 109.224 108.800 0.061 0.000 2.151 203 G HA2 0.325 4.285 3.960 -0.001 0.000 0.156 203 G HA3 0.325 4.285 3.960 -0.001 0.000 0.156 203 G C 0.373 175.330 174.900 0.094 0.000 1.017 203 G CA 0.681 45.830 45.100 0.082 0.000 0.686 203 G HN 2.299 nan 8.290 nan 0.000 0.503 204 A N -0.321 122.525 122.820 0.043 0.000 2.898 204 A HA 0.507 4.827 4.320 -0.001 0.000 0.192 204 A C 0.906 178.415 177.584 -0.124 0.000 1.090 204 A CA 0.887 52.901 52.037 -0.037 0.000 1.273 204 A CB 0.036 18.936 19.000 -0.167 0.000 1.224 204 A HN 0.082 nan 8.150 nan 0.000 0.561 205 D N -0.053 120.371 120.400 0.039 0.000 2.271 205 D HA -0.217 4.423 4.640 -0.001 0.000 0.207 205 D C 1.589 177.956 176.300 0.112 0.000 0.983 205 D CA 2.070 56.109 54.000 0.066 0.000 0.878 205 D CB -0.218 40.637 40.800 0.091 0.000 0.920 205 D HN 0.893 nan 8.370 nan 0.000 0.479 206 Y N -1.567 118.853 120.300 0.200 0.000 2.384 206 Y HA -0.169 4.381 4.550 -0.001 0.000 0.289 206 Y C 2.006 178.034 175.900 0.212 0.000 1.152 206 Y CA 0.372 58.569 58.100 0.163 0.000 1.258 206 Y CB -1.174 37.356 38.460 0.116 0.000 0.979 206 Y HN -0.067 nan 8.280 nan 0.000 0.549 207 W N 0.955 122.008 121.300 -0.412 0.000 2.363 207 W HA -0.088 4.572 4.660 -0.001 0.000 0.296 207 W C 2.185 178.786 176.519 0.138 0.000 1.212 207 W CA 1.895 59.145 57.345 -0.158 0.000 1.260 207 W CB -0.288 28.974 29.460 -0.331 0.000 1.131 207 W HN 0.101 nan 8.180 nan 0.000 0.530 208 I N -0.444 120.304 120.570 0.297 0.000 2.439 208 I HA -0.218 3.952 4.170 -0.001 0.000 0.251 208 I C 2.075 178.345 176.117 0.256 0.000 1.139 208 I CA 1.235 62.703 61.300 0.279 0.000 1.438 208 I CB -0.477 37.599 38.000 0.127 0.000 1.085 208 I HN 0.001 nan 8.210 nan 0.000 0.427 209 E N 0.958 121.279 120.200 0.203 0.000 2.051 209 E HA -0.215 4.135 4.350 -0.001 0.000 0.192 209 E C 1.670 178.372 176.600 0.170 0.000 0.991 209 E CA 1.396 57.891 56.400 0.158 0.000 0.799 209 E CB -0.028 29.764 29.700 0.153 0.000 0.748 209 E HN 0.466 nan 8.360 nan 0.000 0.449 210 D N 0.374 120.915 120.400 0.236 0.000 2.144 210 D HA -0.155 4.485 4.640 -0.001 0.000 0.200 210 D C 1.765 178.108 176.300 0.073 0.000 0.978 210 D CA 0.656 54.798 54.000 0.237 0.000 0.833 210 D CB -0.328 40.693 40.800 0.368 0.000 0.961 210 D HN 0.107 nan 8.370 nan 0.000 0.470 211 F N 1.725 121.656 119.950 -0.032 0.000 2.134 211 F HA -0.120 4.406 4.527 -0.001 0.000 0.299 211 F C 2.044 177.712 175.800 -0.219 0.000 1.097 211 F CA 1.103 58.895 58.000 -0.347 0.000 1.264 211 F CB -0.339 38.650 39.000 -0.018 0.000 1.001 211 F HN -0.138 nan 8.300 nan 0.000 0.479 212 L N -0.127 120.937 121.223 -0.264 0.000 2.131 212 L HA -0.158 4.181 4.340 -0.001 0.000 0.206 212 L C 2.245 179.138 176.870 0.039 0.000 1.087 212 L CA 0.824 55.533 54.840 -0.217 0.000 0.767 212 L CB -0.780 41.306 42.059 0.046 0.000 0.917 212 L HN 0.136 nan 8.230 nan 0.000 0.441 213 N N 0.193 118.936 118.700 0.072 0.000 2.142 213 N HA -0.200 4.539 4.740 -0.001 0.000 0.186 213 N C 1.756 177.306 175.510 0.068 0.000 1.023 213 N CA 1.228 54.374 53.050 0.160 0.000 0.852 213 N CB -0.347 38.231 38.487 0.152 0.000 0.998 213 N HN 0.200 nan 8.380 nan 0.000 0.424 214 F N 1.945 121.771 119.950 -0.206 0.000 2.095 214 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 214 F C 2.305 177.953 175.800 -0.253 0.000 1.104 214 F CA 1.176 58.998 58.000 -0.296 0.000 1.232 214 F CB -0.640 37.932 39.000 -0.714 0.000 0.987 214 F HN 0.005 nan 8.300 nan 0.000 0.475 215 C N -0.436 118.495 119.300 -0.616 0.000 2.446 215 C HA -0.150 4.310 4.460 -0.001 0.000 0.277 215 C C 2.509 177.379 174.990 -0.200 0.000 1.275 215 C CA 1.003 59.675 59.018 -0.577 0.000 1.727 215 C CB -1.719 25.653 27.740 -0.612 0.000 2.010 215 C HN 0.681 nan 8.230 nan 0.000 0.486 216 Y N 2.087 122.352 120.300 -0.058 0.000 2.114 216 Y HA -0.183 4.367 4.550 -0.001 0.000 0.284 216 Y C 2.373 178.134 175.900 -0.232 0.000 1.143 216 Y CA 2.031 60.079 58.100 -0.086 0.000 1.135 216 Y CB -0.581 37.715 38.460 -0.272 0.000 0.980 216 Y HN 0.396 nan 8.280 nan 0.000 0.499 217 E N -0.501 119.539 120.200 -0.267 0.000 2.106 217 E HA -0.159 4.191 4.350 -0.001 0.000 0.192 217 E C 1.591 177.992 176.600 -0.333 0.000 0.984 217 E CA 1.209 57.419 56.400 -0.318 0.000 0.806 217 E CB 0.009 29.640 29.700 -0.115 0.000 0.750 217 E HN 0.485 nan 8.360 nan 0.000 0.458 218 E N 0.329 120.272 120.200 -0.428 0.000 2.474 218 E HA 0.025 4.375 4.350 -0.001 0.000 0.195 218 E C -0.110 176.281 176.600 -0.347 0.000 1.039 218 E CA -0.143 56.009 56.400 -0.414 0.000 0.881 218 E CB 0.160 29.463 29.700 -0.662 0.000 0.970 218 E HN 0.167 nan 8.360 nan 0.000 0.486 219 N N 0.862 119.363 118.700 -0.331 0.000 2.727 219 N HA -0.150 4.589 4.740 -0.001 0.000 0.251 219 N C -1.055 174.355 175.510 -0.167 0.000 1.040 219 N CA 0.324 53.242 53.050 -0.220 0.000 0.712 219 N CB -0.883 37.495 38.487 -0.182 0.000 0.912 219 N HN -0.093 nan 8.380 nan 0.000 0.545 220 V N 2.341 122.127 119.914 -0.214 0.000 2.398 220 V HA 0.441 4.560 4.120 -0.001 0.000 0.286 220 V C -1.589 174.478 176.094 -0.046 0.000 1.026 220 V CA -1.171 61.063 62.300 -0.110 0.000 0.868 220 V CB 1.754 33.503 31.823 -0.123 0.000 0.982 220 V HN 0.137 nan 8.190 nan 0.000 0.443 221 P HA 0.241 nan 4.420 nan 0.000 0.271 221 P C -0.977 176.345 177.300 0.036 0.000 1.216 221 P CA 0.079 63.191 63.100 0.020 0.000 0.771 221 P CB 1.435 33.157 31.700 0.037 0.000 0.864 222 V N 3.149 122.993 119.914 -0.116 0.000 2.709 222 V HA 0.268 4.387 4.120 -0.001 0.000 0.308 222 V C 0.437 176.495 176.094 -0.059 0.000 1.062 222 V CA -0.255 61.970 62.300 -0.126 0.000 0.901 222 V CB 2.219 33.730 31.823 -0.521 0.000 1.003 222 V HN 0.521 nan 8.190 nan 0.000 0.425 223 D N 2.291 122.719 120.400 0.048 0.000 2.498 223 D HA 0.248 4.887 4.640 -0.001 0.000 0.223 223 D C -0.363 176.147 176.300 0.349 0.000 1.125 223 D CA 0.803 54.919 54.000 0.193 0.000 0.835 223 D CB 1.569 42.550 40.800 0.300 0.000 1.086 223 D HN 0.505 nan 8.370 nan 0.000 0.510 224 F N -1.107 118.961 119.950 0.197 0.000 2.746 224 F HA 0.425 4.951 4.527 -0.001 0.000 0.311 224 F C -1.717 174.256 175.800 0.287 0.000 1.135 224 F CA -1.344 56.784 58.000 0.214 0.000 0.954 224 F CB 0.540 39.705 39.000 0.275 0.000 1.276 224 F HN -0.385 nan 8.300 nan 0.000 0.440 225 V N 1.858 122.031 119.914 0.432 0.000 2.716 225 V HA 0.754 4.873 4.120 -0.001 0.000 0.304 225 V C -0.263 176.171 176.094 0.568 0.000 1.053 225 V CA -0.383 62.123 62.300 0.345 0.000 0.984 225 V CB 1.567 33.488 31.823 0.163 0.000 1.021 225 V HN 0.936 nan 8.190 nan 0.000 0.467 226 S N 3.877 119.800 115.700 0.372 0.000 2.547 226 S HA 0.806 5.276 4.470 -0.001 0.000 0.281 226 S C -0.843 173.867 174.600 0.183 0.000 1.118 226 S CA -0.721 57.710 58.200 0.385 0.000 0.947 226 S CB 1.274 64.708 63.200 0.390 0.000 1.053 226 S HN 0.850 nan 8.310 nan 0.000 0.482 227 R N 2.371 122.981 120.500 0.183 0.000 2.712 227 R HA 0.376 4.716 4.340 -0.001 0.000 0.272 227 R C -1.562 174.799 176.300 0.102 0.000 1.032 227 R CA -0.536 55.583 56.100 0.031 0.000 0.874 227 R CB 1.225 31.625 30.300 0.167 0.000 1.256 227 R HN 0.903 nan 8.270 nan 0.000 0.468 228 H N -0.295 118.737 119.070 -0.063 0.000 2.651 228 H HA 0.805 5.361 4.556 -0.001 0.000 0.353 228 H C -0.873 174.424 175.328 -0.051 0.000 1.178 228 H CA -1.082 54.898 56.048 -0.113 0.000 1.224 228 H CB 2.214 31.902 29.762 -0.123 0.000 1.702 228 H HN 0.643 nan 8.280 nan 0.000 0.550 229 A N 1.837 124.647 122.820 -0.016 0.000 2.465 229 A HA 0.546 4.866 4.320 -0.001 0.000 0.292 229 A C -1.954 175.558 177.584 -0.120 0.000 1.041 229 A CA -0.462 51.627 52.037 0.086 0.000 0.718 229 A CB 0.626 19.817 19.000 0.319 0.000 1.266 229 A HN 0.612 nan 8.150 nan 0.000 0.403 230 Y N -0.092 120.375 120.300 0.277 0.000 2.669 230 Y HA 0.660 5.209 4.550 -0.001 0.000 0.335 230 Y C 1.122 177.194 175.900 0.286 0.000 1.116 230 Y CA 0.069 58.350 58.100 0.302 0.000 1.081 230 Y CB 2.638 41.317 38.460 0.364 0.000 1.297 230 Y HN 0.684 nan 8.280 nan 0.000 0.484 231 T N -3.088 111.736 114.554 0.450 0.000 3.460 231 T HA 0.213 4.562 4.350 -0.001 0.000 0.304 231 T C -0.641 174.189 174.700 0.215 0.000 0.991 231 T CA -0.433 61.858 62.100 0.319 0.000 0.975 231 T CB -0.636 68.440 68.868 0.347 0.000 1.196 231 T HN 0.468 nan 8.240 nan 0.000 0.490 232 S N 0.970 116.797 115.700 0.212 0.000 2.442 232 S HA 0.591 5.061 4.470 -0.001 0.000 0.297 232 S C 0.059 174.724 174.600 0.109 0.000 1.131 232 S CA -0.941 57.286 58.200 0.045 0.000 1.092 232 S CB 1.682 64.760 63.200 -0.203 0.000 0.998 232 S HN 0.382 nan 8.310 nan 0.000 0.478 233 K N 1.369 121.806 120.400 0.061 0.000 2.332 233 K HA 0.200 4.520 4.320 -0.001 0.000 0.246 233 K C 0.513 177.164 176.600 0.084 0.000 1.066 233 K CA -0.739 55.601 56.287 0.087 0.000 0.898 233 K CB 0.174 32.702 32.500 0.047 0.000 1.192 233 K HN 0.599 nan 8.250 nan 0.000 0.509 234 Q N 0.105 119.962 119.800 0.097 0.000 2.392 234 Q HA 0.234 4.573 4.340 -0.001 0.000 0.262 234 Q C 0.108 176.127 176.000 0.032 0.000 1.003 234 Q CA 0.372 56.234 55.803 0.099 0.000 0.888 234 Q CB 1.230 30.023 28.738 0.092 0.000 1.260 234 Q HN 0.787 nan 8.270 nan 0.000 0.435 235 G N 0.649 109.458 108.800 0.014 0.000 2.692 235 G HA2 0.391 4.351 3.960 -0.001 0.000 0.291 235 G HA3 0.391 4.351 3.960 -0.001 0.000 0.291 235 G C -1.575 173.313 174.900 -0.021 0.000 1.423 235 G CA -0.556 44.523 45.100 -0.035 0.000 0.843 235 G HN 0.479 nan 8.290 nan 0.000 0.486 236 E N 0.003 120.196 120.200 -0.013 0.000 2.151 236 E HA 0.414 4.764 4.350 -0.001 0.000 0.275 236 E C -0.991 175.620 176.600 0.017 0.000 0.936 236 E CA -0.615 55.808 56.400 0.038 0.000 0.777 236 E CB 1.194 30.929 29.700 0.058 0.000 1.108 236 E HN 0.442 nan 8.360 nan 0.000 0.401 237 Y N 1.957 122.294 120.300 0.062 0.000 2.497 237 Y HA 0.051 4.601 4.550 -0.000 0.000 0.334 237 Y C 0.862 176.797 175.900 0.059 0.000 1.199 237 Y CA 0.647 58.783 58.100 0.060 0.000 1.425 237 Y CB 1.194 39.690 38.460 0.060 0.000 1.291 237 Y HN 0.391 nan 8.280 nan 0.000 0.562 238 T N 5.223 119.924 114.554 0.245 0.000 2.952 238 T HA 0.210 4.560 4.350 -0.001 0.000 0.286 238 T C -1.736 173.063 174.700 0.165 0.000 1.024 238 T CA -1.498 60.698 62.100 0.161 0.000 1.029 238 T CB 1.306 70.267 68.868 0.156 0.000 1.094 238 T HN 0.467 nan 8.240 nan 0.000 0.515 239 P HA 0.001 nan 4.420 nan 0.000 0.239 239 P C 0.234 177.621 177.300 0.145 0.000 1.184 239 P CA 0.947 64.058 63.100 0.019 0.000 0.760 239 P CB 0.261 31.898 31.700 -0.105 0.000 0.884 240 H N -1.039 118.106 119.070 0.126 0.000 2.735 240 H HA 0.271 4.827 4.556 -0.001 0.000 0.250 240 H C 0.928 176.326 175.328 0.117 0.000 0.948 240 H CA 0.337 56.452 56.048 0.113 0.000 1.137 240 H CB 0.396 30.223 29.762 0.108 0.000 1.440 240 H HN 0.058 nan 8.280 nan 0.000 0.444 241 L N -0.986 120.381 121.223 0.240 0.000 2.801 241 L HA 0.561 4.901 4.340 -0.001 0.000 0.264 241 L C -1.414 175.400 176.870 -0.093 0.000 1.086 241 L CA -1.571 53.301 54.840 0.054 0.000 0.920 241 L CB 1.052 43.068 42.059 -0.071 0.000 1.529 241 L HN -0.104 nan 8.230 nan 0.000 0.399 242 I N -1.402 118.940 120.570 -0.380 0.000 2.686 242 I HA 0.724 4.894 4.170 -0.001 0.000 0.295 242 I C -1.465 174.341 176.117 -0.519 0.000 1.114 242 I CA -0.885 60.131 61.300 -0.473 0.000 1.038 242 I CB 1.776 39.248 38.000 -0.880 0.000 1.238 242 I HN 0.477 nan 8.210 nan 0.000 0.420 243 Y N 2.901 123.073 120.300 -0.212 0.000 2.393 243 Y HA 0.796 5.345 4.550 -0.001 0.000 0.341 243 Y C -0.116 175.671 175.900 -0.187 0.000 0.988 243 Y CA -0.449 57.544 58.100 -0.178 0.000 1.078 243 Y CB 2.092 40.483 38.460 -0.115 0.000 1.203 243 Y HN 0.554 nan 8.280 nan 0.000 0.453 244 Q N 0.976 120.734 119.800 -0.070 0.000 2.416 244 Q HA 0.299 4.638 4.340 -0.001 0.000 0.281 244 Q C -1.338 174.620 176.000 -0.071 0.000 1.067 244 Q CA -1.218 54.527 55.803 -0.097 0.000 0.809 244 Q CB 3.046 31.663 28.738 -0.203 0.000 1.418 244 Q HN 0.661 nan 8.270 nan 0.000 0.411 245 E N 1.504 121.678 120.200 -0.043 0.000 2.331 245 E HA 0.274 4.624 4.350 -0.001 0.000 0.272 245 E C -1.059 175.533 176.600 -0.013 0.000 1.036 245 E CA -0.467 55.917 56.400 -0.026 0.000 0.864 245 E CB 0.657 30.355 29.700 -0.003 0.000 1.035 245 E HN 0.357 nan 8.360 nan 0.000 0.408 246 I N 4.977 125.550 120.570 0.005 0.000 2.330 246 I HA 0.188 4.357 4.170 -0.001 0.000 0.289 246 I C 0.232 176.432 176.117 0.138 0.000 1.001 246 I CA -0.205 61.115 61.300 0.034 0.000 1.193 246 I CB 1.204 39.189 38.000 -0.025 0.000 1.345 246 I HN 0.639 nan 8.210 nan 0.000 0.461 247 M N 8.272 127.974 119.600 0.169 0.000 2.248 247 M HA 0.208 4.687 4.480 -0.001 0.000 0.337 247 M C -1.910 174.650 176.300 0.433 0.000 1.121 247 M CA -1.308 54.131 55.300 0.232 0.000 1.155 247 M CB 0.026 32.717 32.600 0.152 0.000 1.514 247 M HN 0.286 nan 8.290 nan 0.000 0.452 248 P HA -0.050 nan 4.420 nan 0.000 0.269 248 P C 0.182 177.728 177.300 0.411 0.000 1.211 248 P CA 0.117 63.511 63.100 0.490 0.000 0.781 248 P CB 0.229 32.153 31.700 0.373 0.000 0.877 249 S N 0.033 115.785 115.700 0.088 0.000 2.399 249 S HA -0.176 4.294 4.470 -0.001 0.000 0.231 249 S C 1.674 176.203 174.600 -0.117 0.000 1.022 249 S CA 0.801 58.880 58.200 -0.202 0.000 0.983 249 S CB -0.811 62.047 63.200 -0.570 0.000 0.803 249 S HN 0.420 nan 8.310 nan 0.000 0.480 250 E N 1.204 121.334 120.200 -0.117 0.000 2.114 250 E HA -0.176 4.174 4.350 -0.001 0.000 0.199 250 E C 1.621 178.030 176.600 -0.319 0.000 1.008 250 E CA 1.509 57.754 56.400 -0.259 0.000 0.810 250 E CB -0.465 29.021 29.700 -0.357 0.000 0.739 250 E HN 0.834 nan 8.360 nan 0.000 0.456 251 Y N -0.285 120.013 120.300 -0.003 0.000 2.421 251 Y HA -0.093 4.456 4.550 -0.000 0.000 0.292 251 Y C 2.434 178.324 175.900 -0.017 0.000 1.136 251 Y CA 0.962 59.070 58.100 0.013 0.000 1.255 251 Y CB -0.186 38.318 38.460 0.075 0.000 0.991 251 Y HN 0.073 nan 8.280 nan 0.000 0.552 252 M N -0.718 118.896 119.600 0.023 0.000 2.248 252 M HA -0.091 4.389 4.480 -0.001 0.000 0.265 252 M C 1.670 177.711 176.300 -0.433 0.000 1.079 252 M CA 1.413 56.648 55.300 -0.109 0.000 1.150 252 M CB -0.066 32.443 32.600 -0.153 0.000 1.366 252 M HN 0.277 nan 8.290 nan 0.000 0.433 253 L N 0.602 121.520 121.223 -0.509 0.000 2.191 253 L HA -0.224 4.116 4.340 -0.001 0.000 0.212 253 L C 1.904 178.507 176.870 -0.446 0.000 1.103 253 L CA 0.685 55.159 54.840 -0.609 0.000 0.769 253 L CB -0.950 40.867 42.059 -0.403 0.000 0.908 253 L HN 0.397 nan 8.230 nan 0.000 0.438 254 N N 0.156 118.697 118.700 -0.265 0.000 2.171 254 N HA -0.144 4.595 4.740 -0.001 0.000 0.184 254 N C 1.703 177.189 175.510 -0.040 0.000 1.021 254 N CA 1.041 53.987 53.050 -0.173 0.000 0.854 254 N CB -0.074 38.354 38.487 -0.098 0.000 0.994 254 N HN 0.394 nan 8.380 nan 0.000 0.426 255 E N -0.107 120.134 120.200 0.069 0.000 2.118 255 E HA -0.148 4.201 4.350 -0.001 0.000 0.195 255 E C 1.468 178.264 176.600 0.326 0.000 0.992 255 E CA 0.804 57.326 56.400 0.203 0.000 0.804 255 E CB -0.151 29.710 29.700 0.268 0.000 0.741 255 E HN 0.234 nan 8.360 nan 0.000 0.458 256 F N 1.304 121.230 119.950 -0.041 0.000 2.051 256 F HA -0.138 4.389 4.527 -0.001 0.000 0.296 256 F C 2.415 178.234 175.800 0.031 0.000 1.122 256 F CA 1.149 59.165 58.000 0.026 0.000 1.201 256 F CB -0.827 38.097 39.000 -0.126 0.000 0.978 256 F HN -0.122 nan 8.300 nan 0.000 0.472 257 K N -0.319 120.030 120.400 -0.084 0.000 2.074 257 K HA -0.179 4.140 4.320 -0.001 0.000 0.209 257 K C 2.037 178.637 176.600 0.001 0.000 1.048 257 K CA 2.022 58.198 56.287 -0.185 0.000 0.926 257 K CB -0.331 31.886 32.500 -0.472 0.000 0.713 257 K HN 0.181 nan 8.250 nan 0.000 0.444 258 T N 0.384 114.948 114.554 0.017 0.000 2.569 258 T HA -0.140 4.210 4.350 -0.001 0.000 0.263 258 T C 1.756 176.470 174.700 0.022 0.000 1.074 258 T CA 1.783 63.903 62.100 0.033 0.000 1.176 258 T CB -0.277 68.624 68.868 0.056 0.000 0.863 258 T HN 0.011 nan 8.240 nan 0.000 0.410 259 V N 1.878 121.812 119.914 0.034 0.000 2.688 259 V HA -0.154 3.966 4.120 -0.001 0.000 0.256 259 V C 2.672 178.599 176.094 -0.279 0.000 1.084 259 V CA 1.320 63.544 62.300 -0.127 0.000 1.103 259 V CB -0.699 31.029 31.823 -0.157 0.000 0.688 259 V HN 0.249 nan 8.190 nan 0.000 0.480 260 R N 0.152 120.604 120.500 -0.081 0.000 2.066 260 R HA -0.097 4.242 4.340 -0.001 0.000 0.232 260 R C 2.303 178.576 176.300 -0.046 0.000 1.131 260 R CA 1.275 57.355 56.100 -0.034 0.000 0.955 260 R CB -0.447 29.948 30.300 0.158 0.000 0.851 260 R HN 0.520 nan 8.270 nan 0.000 0.432 261 E N 0.559 120.749 120.200 -0.016 0.000 2.051 261 E HA -0.145 4.204 4.350 -0.001 0.000 0.192 261 E C 2.155 178.732 176.600 -0.038 0.000 0.991 261 E CA 0.973 57.365 56.400 -0.014 0.000 0.799 261 E CB -0.340 29.360 29.700 0.000 0.000 0.748 261 E HN 0.359 nan 8.360 nan 0.000 0.449 262 I N 0.898 121.437 120.570 -0.052 0.000 2.399 262 I HA -0.267 3.903 4.170 -0.001 0.000 0.254 262 I C 2.276 178.355 176.117 -0.062 0.000 1.146 262 I CA 0.914 62.185 61.300 -0.048 0.000 1.412 262 I CB -0.243 37.732 38.000 -0.041 0.000 1.076 262 I HN 0.064 nan 8.210 nan 0.000 0.432 263 I N 0.298 120.811 120.570 -0.095 0.000 2.400 263 I HA -0.170 4.000 4.170 -0.001 0.000 0.248 263 I C 2.146 178.244 176.117 -0.032 0.000 1.109 263 I CA 0.993 62.252 61.300 -0.069 0.000 1.425 263 I CB -0.272 37.653 38.000 -0.125 0.000 1.094 263 I HN 0.076 nan 8.210 nan 0.000 0.425 264 K N 0.934 121.314 120.400 -0.033 0.000 2.439 264 K HA -0.023 4.296 4.320 -0.001 0.000 0.197 264 K C 0.892 177.461 176.600 -0.052 0.000 1.041 264 K CA 0.648 56.920 56.287 -0.024 0.000 0.970 264 K CB -0.066 32.429 32.500 -0.008 0.000 0.773 264 K HN 0.339 nan 8.250 nan 0.000 0.479 265 N N 0.556 119.216 118.700 -0.068 0.000 2.205 265 N HA -0.013 4.726 4.740 -0.001 0.000 0.201 265 N C 0.336 175.743 175.510 -0.171 0.000 1.128 265 N CA 0.117 53.106 53.050 -0.102 0.000 0.867 265 N CB 0.736 39.178 38.487 -0.076 0.000 0.996 265 N HN 0.113 nan 8.380 nan 0.000 0.503 266 S N -0.365 115.241 115.700 -0.155 0.000 2.666 266 S HA 0.244 4.714 4.470 -0.001 0.000 0.279 266 S C 0.944 175.325 174.600 -0.366 0.000 1.149 266 S CA -0.387 57.679 58.200 -0.224 0.000 1.020 266 S CB 0.651 63.838 63.200 -0.022 0.000 1.127 266 S HN 0.149 nan 8.310 nan 0.000 0.537 267 H N -0.569 118.304 119.070 -0.328 0.000 2.551 267 H HA 0.222 4.777 4.556 -0.001 0.000 0.266 267 H C -0.602 174.260 175.328 -0.777 0.000 0.977 267 H CA 0.578 56.199 56.048 -0.712 0.000 1.163 267 H CB -0.179 28.820 29.762 -1.271 0.000 1.381 267 H HN 0.514 nan 8.280 nan 0.000 0.581 268 F N 1.404 121.329 119.950 -0.042 0.000 2.523 268 F HA 0.261 4.788 4.527 -0.001 0.000 0.322 268 F C -1.677 174.106 175.800 -0.029 0.000 1.361 268 F CA -2.155 55.836 58.000 -0.015 0.000 1.151 268 F CB 1.226 40.224 39.000 -0.004 0.000 1.391 268 F HN -0.076 nan 8.300 nan 0.000 0.566 269 P HA -0.132 nan 4.420 nan 0.000 0.225 269 P C 0.302 177.633 177.300 0.052 0.000 1.148 269 P CA 1.298 64.415 63.100 0.028 0.000 0.779 269 P CB 0.429 32.117 31.700 -0.020 0.000 0.780 270 N N -0.597 118.153 118.700 0.083 0.000 2.214 270 N HA 0.155 4.894 4.740 -0.001 0.000 0.214 270 N C 0.534 176.102 175.510 0.096 0.000 1.132 270 N CA -0.168 52.928 53.050 0.077 0.000 0.856 270 N CB 0.409 38.937 38.487 0.067 0.000 1.020 270 N HN 0.244 nan 8.380 nan 0.000 0.509 271 L N 3.068 124.364 121.223 0.122 0.000 2.490 271 L HA 0.136 4.476 4.340 -0.001 0.000 0.274 271 L C -1.666 175.269 176.870 0.108 0.000 1.201 271 L CA -1.021 53.895 54.840 0.127 0.000 0.869 271 L CB 0.238 42.371 42.059 0.123 0.000 1.123 271 L HN -0.134 nan 8.230 nan 0.000 0.484 272 P HA 0.034 nan 4.420 nan 0.000 0.272 272 P C -1.040 176.298 177.300 0.062 0.000 1.223 272 P CA -0.165 62.938 63.100 0.005 0.000 0.784 272 P CB 0.751 32.396 31.700 -0.091 0.000 0.923 273 F N 2.859 122.660 119.950 -0.248 0.000 2.460 273 F HA 0.352 4.879 4.527 -0.001 0.000 0.341 273 F C -0.666 174.974 175.800 -0.266 0.000 1.130 273 F CA -1.148 56.754 58.000 -0.164 0.000 0.962 273 F CB 0.655 39.609 39.000 -0.077 0.000 1.171 273 F HN 0.278 nan 8.300 nan 0.000 0.436 274 H N 7.436 126.578 119.070 0.119 0.000 2.587 274 H HA 0.368 4.923 4.556 -0.001 0.000 0.325 274 H C -0.099 175.089 175.328 -0.234 0.000 1.012 274 H CA -0.690 55.306 56.048 -0.088 0.000 1.213 274 H CB 2.049 31.909 29.762 0.163 0.000 1.431 274 H HN 0.406 nan 8.280 nan 0.000 0.492 275 I N 4.324 124.712 120.570 -0.303 0.000 2.270 275 I HA -0.065 4.105 4.170 -0.001 0.000 0.300 275 I C 1.573 177.676 176.117 -0.023 0.000 1.186 275 I CA 0.145 61.282 61.300 -0.273 0.000 1.431 275 I CB -0.507 37.199 38.000 -0.490 0.000 1.485 275 I HN 0.556 nan 8.210 nan 0.000 0.650 276 T N 1.650 116.196 114.554 -0.013 0.000 3.320 276 T HA -0.012 4.337 4.350 -0.001 0.000 0.262 276 T C 0.502 175.071 174.700 -0.218 0.000 1.187 276 T CA 0.237 62.230 62.100 -0.179 0.000 1.038 276 T CB -0.182 68.526 68.868 -0.268 0.000 0.939 276 T HN 0.682 nan 8.240 nan 0.000 0.550 277 E N -0.373 119.726 120.200 -0.169 0.000 3.287 277 E HA 0.375 4.725 4.350 -0.001 0.000 0.355 277 E C -1.739 174.672 176.600 -0.314 0.000 1.027 277 E CA -1.053 55.124 56.400 -0.372 0.000 0.840 277 E CB 0.718 29.773 29.700 -1.074 0.000 1.273 277 E HN 0.466 nan 8.360 nan 0.000 0.458 278 Y N 2.861 122.917 120.300 -0.406 0.000 2.656 278 Y HA 0.793 5.342 4.550 -0.001 0.000 0.334 278 Y C -1.093 174.566 175.900 -0.402 0.000 1.179 278 Y CA -0.486 57.317 58.100 -0.495 0.000 1.050 278 Y CB 1.607 40.043 38.460 -0.041 0.000 1.308 278 Y HN 0.761 nan 8.280 nan 0.000 0.456 279 N N -1.255 117.359 118.700 -0.144 0.000 3.576 279 N HA 0.162 4.901 4.740 -0.001 0.000 0.264 279 N C -0.147 175.598 175.510 0.392 0.000 1.356 279 N CA 0.020 53.077 53.050 0.012 0.000 0.797 279 N CB 0.627 39.070 38.487 -0.073 0.000 1.568 279 N HN 0.949 nan 8.380 nan 0.000 0.405 280 T N -1.493 113.283 114.554 0.371 0.000 2.671 280 T HA 0.085 4.435 4.350 -0.001 0.000 0.250 280 T C 1.076 175.944 174.700 0.280 0.000 1.068 280 T CA 0.954 63.182 62.100 0.213 0.000 1.177 280 T CB -0.560 68.255 68.868 -0.087 0.000 0.876 280 T HN 0.323 nan 8.240 nan 0.000 0.405 281 S N 1.020 116.837 115.700 0.195 0.000 2.562 281 S HA 0.340 4.810 4.470 -0.001 0.000 0.275 281 S C 0.304 175.056 174.600 0.252 0.000 1.281 281 S CA -0.966 57.237 58.200 0.005 0.000 1.045 281 S CB 0.432 63.427 63.200 -0.342 0.000 0.962 281 S HN 0.564 nan 8.310 nan 0.000 0.503 282 Y N 2.457 122.746 120.300 -0.018 0.000 2.470 282 Y HA 0.506 5.056 4.550 -0.001 0.000 0.284 282 Y C 0.607 176.656 175.900 0.248 0.000 1.188 282 Y CA -0.791 57.085 58.100 -0.374 0.000 1.269 282 Y CB -0.691 37.220 38.460 -0.914 0.000 1.094 282 Y HN 0.415 nan 8.280 nan 0.000 0.518 283 S N 2.585 118.392 115.700 0.178 0.000 2.472 283 S HA 0.410 4.880 4.470 -0.001 0.000 0.303 283 S C -2.188 172.135 174.600 -0.461 0.000 1.099 283 S CA -1.930 56.328 58.200 0.096 0.000 1.077 283 S CB 1.414 64.588 63.200 -0.043 0.000 1.031 283 S HN 0.125 nan 8.310 nan 0.000 0.487 284 P HA 0.143 nan 4.420 nan 0.000 0.255 284 P C -0.386 176.746 177.300 -0.281 0.000 1.427 284 P CA 0.274 62.850 63.100 -0.874 0.000 0.863 284 P CB -0.155 31.389 31.700 -0.259 0.000 1.444 285 Q N -0.719 118.984 119.800 -0.162 0.000 2.038 285 Q HA 0.169 4.508 4.340 -0.001 0.000 0.240 285 Q C -0.235 175.639 176.000 -0.210 0.000 0.831 285 Q CA -0.241 55.523 55.803 -0.064 0.000 1.068 285 Q CB 0.486 29.279 28.738 0.092 0.000 1.241 285 Q HN 0.014 nan 8.270 nan 0.000 0.435 286 N N 2.084 120.605 118.700 -0.298 0.000 2.501 286 N HA 0.172 4.911 4.740 -0.001 0.000 0.245 286 N C -1.926 173.303 175.510 -0.468 0.000 0.974 286 N CA -2.046 50.726 53.050 -0.464 0.000 0.941 286 N CB 1.439 39.607 38.487 -0.532 0.000 1.122 286 N HN -0.056 nan 8.380 nan 0.000 0.507 287 P HA -0.146 nan 4.420 nan 0.000 0.225 287 P C 1.260 178.267 177.300 -0.488 0.000 1.141 287 P CA 0.586 63.441 63.100 -0.408 0.000 0.774 287 P CB 0.433 31.966 31.700 -0.278 0.000 0.760 288 V N 0.354 119.994 119.914 -0.457 0.000 2.407 288 V HA -0.237 3.883 4.120 -0.001 0.000 0.248 288 V C 2.554 178.483 176.094 -0.276 0.000 1.055 288 V CA 1.823 63.916 62.300 -0.345 0.000 1.049 288 V CB -1.534 30.107 31.823 -0.304 0.000 0.662 288 V HN 0.253 nan 8.190 nan 0.000 0.455 289 H N 0.336 119.289 119.070 -0.195 0.000 2.457 289 H HA -0.108 4.447 4.556 -0.001 0.000 0.297 289 H C 1.790 177.012 175.328 -0.176 0.000 1.092 289 H CA 1.615 57.586 56.048 -0.128 0.000 1.309 289 H CB -0.200 29.472 29.762 -0.150 0.000 1.382 289 H HN 0.523 nan 8.280 nan 0.000 0.535 290 D N 0.712 120.967 120.400 -0.243 0.000 2.350 290 D HA -0.018 4.622 4.640 -0.001 0.000 0.213 290 D C 1.012 177.012 176.300 -0.500 0.000 1.031 290 D CA 0.300 54.077 54.000 -0.371 0.000 0.861 290 D CB 0.204 40.644 40.800 -0.600 0.000 0.926 290 D HN 0.381 nan 8.370 nan 0.000 0.520 291 T N -1.138 113.115 114.554 -0.502 0.000 2.913 291 T HA 0.238 4.587 4.350 -0.001 0.000 0.287 291 T C -1.790 172.905 174.700 -0.008 0.000 1.008 291 T CA -1.590 60.283 62.100 -0.378 0.000 1.067 291 T CB 2.405 71.024 68.868 -0.416 0.000 0.996 291 T HN -0.243 nan 8.240 nan 0.000 0.513 292 P HA -0.034 nan 4.420 nan 0.000 0.231 292 P C 1.109 178.530 177.300 0.202 0.000 1.158 292 P CA 0.370 63.577 63.100 0.178 0.000 0.763 292 P CB -0.106 31.726 31.700 0.221 0.000 0.805 293 F N 1.938 121.931 119.950 0.072 0.000 2.098 293 F HA -0.072 4.455 4.527 -0.001 0.000 0.294 293 F C 2.112 177.992 175.800 0.133 0.000 1.107 293 F CA 1.260 59.321 58.000 0.101 0.000 1.234 293 F CB -1.134 37.893 39.000 0.046 0.000 1.002 293 F HN -0.176 nan 8.300 nan 0.000 0.472 294 N N 0.880 119.529 118.700 -0.084 0.000 2.137 294 N HA -0.233 4.507 4.740 -0.001 0.000 0.190 294 N C 1.914 177.414 175.510 -0.017 0.000 1.017 294 N CA 1.485 54.467 53.050 -0.114 0.000 0.859 294 N CB -0.279 38.249 38.487 0.069 0.000 1.002 294 N HN 0.468 nan 8.380 nan 0.000 0.428 295 A N 0.675 123.509 122.820 0.023 0.000 1.898 295 A HA 0.049 4.368 4.320 -0.001 0.000 0.216 295 A C 2.372 179.955 177.584 -0.002 0.000 1.181 295 A CA 1.812 53.872 52.037 0.039 0.000 0.620 295 A CB -0.809 18.233 19.000 0.069 0.000 0.819 295 A HN 0.431 nan 8.150 nan 0.000 0.442 296 A N -1.891 120.939 122.820 0.017 0.000 1.968 296 A HA -0.007 4.313 4.320 -0.001 0.000 0.217 296 A C 2.091 179.652 177.584 -0.038 0.000 1.169 296 A CA 1.452 53.527 52.037 0.063 0.000 0.638 296 A CB -0.689 18.430 19.000 0.198 0.000 0.812 296 A HN 0.689 nan 8.150 nan 0.000 0.446 297 Y N 0.010 120.138 120.300 -0.287 0.000 2.133 297 Y HA -0.164 4.386 4.550 -0.001 0.000 0.287 297 Y C 1.921 177.717 175.900 -0.172 0.000 1.134 297 Y CA 1.903 59.840 58.100 -0.273 0.000 1.133 297 Y CB -0.234 37.896 38.460 -0.550 0.000 0.987 297 Y HN 0.218 nan 8.280 nan 0.000 0.502 298 I N 0.857 121.470 120.570 0.073 0.000 2.454 298 I HA -0.259 3.910 4.170 -0.001 0.000 0.254 298 I C 2.577 178.516 176.117 -0.297 0.000 1.156 298 I CA 1.327 62.655 61.300 0.047 0.000 1.433 298 I CB -1.164 36.997 38.000 0.269 0.000 1.082 298 I HN 0.373 nan 8.210 nan 0.000 0.432 299 A N 0.291 122.828 122.820 -0.471 0.000 1.915 299 A HA -0.336 3.984 4.320 -0.001 0.000 0.220 299 A C 2.550 179.446 177.584 -1.147 0.000 1.198 299 A CA 2.364 53.904 52.037 -0.829 0.000 0.647 299 A CB -0.749 17.616 19.000 -1.058 0.000 0.825 299 A HN 0.431 nan 8.150 nan 0.000 0.456 300 R N -0.350 119.533 120.500 -1.028 0.000 2.073 300 R HA -0.067 4.272 4.340 -0.001 0.000 0.234 300 R C 2.015 178.141 176.300 -0.289 0.000 1.134 300 R CA 1.709 57.534 56.100 -0.458 0.000 0.952 300 R CB -0.399 29.882 30.300 -0.032 0.000 0.850 300 R HN 0.578 nan 8.270 nan 0.000 0.433 301 I N 1.126 121.512 120.570 -0.308 0.000 2.335 301 I HA -0.298 3.872 4.170 -0.001 0.000 0.251 301 I C 2.045 178.105 176.117 -0.095 0.000 1.129 301 I CA 1.137 62.298 61.300 -0.231 0.000 1.402 301 I CB -0.213 37.692 38.000 -0.159 0.000 1.069 301 I HN 0.280 nan 8.210 nan 0.000 0.424 302 L N -0.473 120.595 121.223 -0.259 0.000 2.217 302 L HA -0.134 4.205 4.340 -0.001 0.000 0.211 302 L C 2.644 179.370 176.870 -0.241 0.000 1.107 302 L CA 0.829 55.421 54.840 -0.412 0.000 0.783 302 L CB -0.498 40.627 42.059 -1.557 0.000 0.919 302 L HN 0.227 nan 8.230 nan 0.000 0.442 303 S N -0.087 115.523 115.700 -0.150 0.000 2.362 303 S HA -0.118 4.352 4.470 -0.001 0.000 0.221 303 S C 1.731 176.489 174.600 0.263 0.000 1.032 303 S CA 1.228 59.549 58.200 0.203 0.000 0.973 303 S CB 0.165 63.526 63.200 0.269 0.000 0.849 303 S HN 0.490 nan 8.310 nan 0.000 0.465 304 E N -0.407 119.858 120.200 0.108 0.000 2.330 304 E HA 0.192 4.541 4.350 -0.001 0.000 0.200 304 E C 2.202 178.783 176.600 -0.032 0.000 0.922 304 E CA 0.386 56.825 56.400 0.064 0.000 0.935 304 E CB -0.486 29.255 29.700 0.069 0.000 0.917 304 E HN 0.526 nan 8.360 nan 0.000 0.491 305 G N 1.841 110.534 108.800 -0.177 0.000 2.597 305 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.222 305 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.222 305 G C 1.550 176.239 174.900 -0.351 0.000 1.135 305 G CA 1.141 45.949 45.100 -0.487 0.000 0.759 305 G HN 0.394 nan 8.290 nan 0.000 0.595 306 G N 0.091 108.823 108.800 -0.114 0.000 2.586 306 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.215 306 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.215 306 G C 1.284 176.123 174.900 -0.100 0.000 1.128 306 G CA 1.075 46.206 45.100 0.052 0.000 0.774 306 G HN 0.372 nan 8.290 nan 0.000 0.543 307 D N -0.388 119.839 120.400 -0.289 0.000 2.224 307 D HA -0.016 4.623 4.640 -0.001 0.000 0.205 307 D C 1.378 177.342 176.300 -0.561 0.000 0.965 307 D CA 0.791 54.475 54.000 -0.525 0.000 0.852 307 D CB -0.024 40.242 40.800 -0.890 0.000 0.947 307 D HN 0.595 nan 8.370 nan 0.000 0.494 308 Y N -0.443 119.878 120.300 0.035 0.000 2.444 308 Y HA 0.178 4.728 4.550 -0.001 0.000 0.252 308 Y C 0.926 176.864 175.900 0.063 0.000 1.091 308 Y CA -0.505 57.643 58.100 0.080 0.000 1.276 308 Y CB 0.557 39.106 38.460 0.148 0.000 1.170 308 Y HN -0.236 nan 8.280 nan 0.000 0.517 309 V N -3.367 116.583 119.914 0.060 0.000 3.074 309 V HA 0.429 4.548 4.120 -0.001 0.000 0.314 309 V C 0.140 176.190 176.094 -0.074 0.000 1.117 309 V CA -0.879 61.350 62.300 -0.120 0.000 1.014 309 V CB 2.269 33.769 31.823 -0.538 0.000 1.057 309 V HN 0.003 nan 8.190 nan 0.000 0.438 310 D N 1.187 121.504 120.400 -0.138 0.000 2.289 310 D HA 0.107 4.747 4.640 -0.001 0.000 0.207 310 D C 0.701 176.945 176.300 -0.093 0.000 0.966 310 D CA 1.691 55.596 54.000 -0.159 0.000 0.868 310 D CB 0.776 41.376 40.800 -0.334 0.000 0.943 310 D HN 0.925 nan 8.370 nan 0.000 0.514 311 S N -0.025 115.719 115.700 0.074 0.000 2.608 311 S HA 0.441 4.911 4.470 -0.001 0.000 0.285 311 S C -1.545 173.284 174.600 0.381 0.000 1.108 311 S CA -1.095 57.259 58.200 0.256 0.000 0.858 311 S CB 0.564 63.880 63.200 0.194 0.000 1.077 311 S HN 0.028 nan 8.310 nan 0.000 0.450 312 F N -0.277 119.745 119.950 0.121 0.000 2.579 312 F HA 0.807 5.334 4.527 -0.001 0.000 0.325 312 F C -0.214 175.852 175.800 0.443 0.000 1.162 312 F CA -1.298 56.789 58.000 0.144 0.000 0.946 312 F CB 1.341 40.325 39.000 -0.026 0.000 1.211 312 F HN 0.625 nan 8.300 nan 0.000 0.447 313 S N 3.920 119.851 115.700 0.384 0.000 2.411 313 S HA 0.299 4.769 4.470 -0.001 0.000 0.294 313 S C -0.852 173.786 174.600 0.064 0.000 1.115 313 S CA -0.339 57.963 58.200 0.171 0.000 1.071 313 S CB -0.082 63.107 63.200 -0.018 0.000 0.967 313 S HN 0.632 nan 8.310 nan 0.000 0.488 314 Y N 6.164 126.317 120.300 -0.246 0.000 2.569 314 Y HA 0.175 4.725 4.550 -0.000 0.000 0.332 314 Y C -0.064 175.601 175.900 -0.392 0.000 1.120 314 Y CA -0.072 57.654 58.100 -0.622 0.000 1.416 314 Y CB 0.369 38.578 38.460 -0.419 0.000 1.210 314 Y HN 0.731 nan 8.280 nan 0.000 0.528 315 W N 9.846 130.581 121.300 -0.942 0.000 2.288 315 W HA 0.323 4.983 4.660 -0.001 0.000 0.325 315 W C -1.070 174.982 176.519 -0.778 0.000 1.019 315 W CA -0.274 56.623 57.345 -0.747 0.000 1.403 315 W CB 0.976 29.973 29.460 -0.773 0.000 1.226 315 W HN 0.778 nan 8.180 nan 0.000 0.391 316 T N 1.303 115.524 114.554 -0.555 0.000 2.693 316 T HA 0.375 4.725 4.350 -0.001 0.000 0.278 316 T C 0.582 175.133 174.700 -0.248 0.000 0.994 316 T CA -0.555 61.215 62.100 -0.550 0.000 1.033 316 T CB 1.148 69.464 68.868 -0.920 0.000 1.342 316 T HN 0.309 nan 8.240 nan 0.000 0.538 317 F N 0.074 119.782 119.950 -0.404 0.000 2.416 317 F HA 0.482 5.009 4.527 -0.001 0.000 0.296 317 F C 0.691 176.325 175.800 -0.277 0.000 1.099 317 F CA 0.255 58.036 58.000 -0.364 0.000 1.427 317 F CB -0.208 38.534 39.000 -0.430 0.000 1.079 317 F HN 0.677 nan 8.300 nan 0.000 0.536 318 S N -0.573 114.304 115.700 -1.372 0.000 2.595 318 S HA 0.326 4.795 4.470 -0.001 0.000 0.281 318 S C -0.223 173.992 174.600 -0.642 0.000 1.117 318 S CA -0.698 56.864 58.200 -1.064 0.000 0.873 318 S CB 1.358 63.614 63.200 -1.574 0.000 1.108 318 S HN 0.122 nan 8.310 nan 0.000 0.477 319 D N 1.336 121.498 120.400 -0.398 0.000 2.349 319 D HA 0.117 4.757 4.640 -0.001 0.000 0.224 319 D C 0.273 176.524 176.300 -0.083 0.000 1.029 319 D CA 0.384 54.258 54.000 -0.210 0.000 0.879 319 D CB 0.028 40.755 40.800 -0.121 0.000 0.906 319 D HN 0.312 nan 8.370 nan 0.000 0.528 320 V N 2.251 122.064 119.914 -0.169 0.000 2.382 320 V HA 0.009 4.129 4.120 -0.001 0.000 0.250 320 V C -0.236 175.919 176.094 0.102 0.000 1.069 320 V CA 0.387 62.667 62.300 -0.034 0.000 1.130 320 V CB -1.064 30.753 31.823 -0.009 0.000 1.165 320 V HN -0.065 nan 8.190 nan 0.000 0.483 321 F N 2.669 122.566 119.950 -0.087 0.000 2.613 321 F HA 0.500 5.027 4.527 -0.000 0.000 0.310 321 F C 0.710 176.514 175.800 0.007 0.000 1.085 321 F CA -0.735 57.239 58.000 -0.043 0.000 0.945 321 F CB 2.585 41.574 39.000 -0.019 0.000 1.298 321 F HN 0.345 nan 8.300 nan 0.000 0.455 322 E N 1.283 121.369 120.200 -0.189 0.000 2.743 322 E HA 0.038 4.388 4.350 -0.001 0.000 0.222 322 E C 0.794 177.558 176.600 0.273 0.000 0.959 322 E CA 0.115 56.559 56.400 0.072 0.000 1.198 322 E CB 0.666 30.460 29.700 0.156 0.000 1.100 322 E HN 0.741 nan 8.360 nan 0.000 0.518 323 E N 1.238 121.462 120.200 0.040 0.000 2.130 323 E HA -0.133 4.216 4.350 -0.001 0.000 0.196 323 E C 0.955 177.687 176.600 0.220 0.000 0.998 323 E CA 1.037 57.459 56.400 0.037 0.000 0.806 323 E CB 0.157 29.684 29.700 -0.289 0.000 0.738 323 E HN -0.013 nan 8.360 nan 0.000 0.459 324 R N 1.190 121.818 120.500 0.213 0.000 3.135 324 R HA 0.079 4.418 4.340 -0.001 0.000 0.343 324 R C -1.049 175.220 176.300 -0.051 0.000 1.227 324 R CA -0.257 55.918 56.100 0.125 0.000 1.227 324 R CB 0.239 30.623 30.300 0.139 0.000 1.436 324 R HN 0.064 nan 8.270 nan 0.000 0.595 325 D N -0.503 119.735 120.400 -0.270 0.000 10.579 325 D HA -0.197 4.442 4.640 -0.001 0.000 0.361 325 D C -0.425 175.632 176.300 -0.404 0.000 3.052 325 D CA 0.611 54.093 54.000 -0.864 0.000 2.480 325 D CB 0.371 40.798 40.800 -0.621 0.000 1.162 325 D HN -0.060 nan 8.370 nan 0.000 0.997 326 V N 2.266 121.947 119.914 -0.388 0.000 2.673 326 V HA 0.213 4.333 4.120 -0.001 0.000 0.303 326 V C -1.382 174.591 176.094 -0.202 0.000 1.046 326 V CA -0.575 61.612 62.300 -0.189 0.000 1.126 326 V CB 0.539 32.291 31.823 -0.120 0.000 0.934 326 V HN 0.461 nan 8.190 nan 0.000 0.487 327 P HA 0.154 nan 4.420 nan 0.000 0.269 327 P C 0.061 177.193 177.300 -0.279 0.000 1.211 327 P CA 0.082 62.882 63.100 -0.501 0.000 0.781 327 P CB 0.385 31.603 31.700 -0.804 0.000 0.877 328 R N -0.182 120.159 120.500 -0.265 0.000 2.600 328 R HA 0.306 4.646 4.340 -0.001 0.000 0.392 328 R C -0.397 175.812 176.300 -0.152 0.000 1.032 328 R CA -0.007 56.031 56.100 -0.104 0.000 1.139 328 R CB 0.332 30.569 30.300 -0.106 0.000 1.400 328 R HN 0.606 nan 8.270 nan 0.000 0.566 329 S N -2.137 113.474 115.700 -0.148 0.000 2.586 329 S HA 0.047 4.517 4.470 -0.001 0.000 0.277 329 S C 0.178 174.718 174.600 -0.100 0.000 1.131 329 S CA -0.958 57.173 58.200 -0.115 0.000 0.848 329 S CB 1.605 64.845 63.200 0.068 0.000 1.091 329 S HN -0.064 nan 8.310 nan 0.000 0.453 330 Q N 0.921 120.606 119.800 -0.192 0.000 2.082 330 Q HA 0.012 4.351 4.340 -0.001 0.000 0.211 330 Q C -0.558 174.942 176.000 -0.833 0.000 1.002 330 Q CA 2.086 57.598 55.803 -0.485 0.000 0.868 330 Q CB -0.323 28.111 28.738 -0.506 0.000 0.931 330 Q HN 0.705 nan 8.270 nan 0.000 0.414 331 F N 0.035 119.471 119.950 -0.856 0.000 2.467 331 F HA 0.329 4.855 4.527 -0.001 0.000 0.336 331 F C 0.486 176.000 175.800 -0.475 0.000 1.123 331 F CA -0.522 56.969 58.000 -0.848 0.000 0.964 331 F CB 1.732 39.995 39.000 -1.227 0.000 1.136 331 F HN 0.263 nan 8.300 nan 0.000 0.447 332 H N 0.953 119.940 119.070 -0.137 0.000 3.233 332 H HA 0.282 4.838 4.556 -0.001 0.000 0.252 332 H C 0.902 176.163 175.328 -0.112 0.000 1.175 332 H CA -0.001 55.993 56.048 -0.090 0.000 1.018 332 H CB 0.436 30.136 29.762 -0.103 0.000 2.006 332 H HN 0.831 nan 8.280 nan 0.000 0.714 333 G N 1.109 109.681 108.800 -0.378 0.000 2.160 333 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.244 333 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.244 333 G C 0.649 175.382 174.900 -0.279 0.000 1.022 333 G CA 0.188 45.120 45.100 -0.280 0.000 0.741 333 G HN 0.871 nan 8.290 nan 0.000 0.508 334 G N -1.319 107.116 108.800 -0.608 0.000 2.594 334 G HA2 0.486 4.445 3.960 -0.001 0.000 0.243 334 G HA3 0.486 4.445 3.960 -0.001 0.000 0.243 334 G C 0.869 175.414 174.900 -0.592 0.000 1.229 334 G CA -0.184 44.597 45.100 -0.532 0.000 0.843 334 G HN 0.199 nan 8.290 nan 0.000 0.578 335 F N 1.415 120.960 119.950 -0.676 0.000 2.186 335 F HA 0.059 4.586 4.527 -0.001 0.000 0.299 335 F C 2.514 177.995 175.800 -0.531 0.000 1.090 335 F CA 0.437 57.920 58.000 -0.862 0.000 1.307 335 F CB -0.399 38.065 39.000 -0.893 0.000 1.019 335 F HN 0.532 nan 8.300 nan 0.000 0.489 336 G N 0.758 109.374 108.800 -0.308 0.000 2.341 336 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.231 336 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.231 336 G C 0.764 175.579 174.900 -0.143 0.000 1.206 336 G CA -0.315 44.615 45.100 -0.284 0.000 0.865 336 G HN 0.314 nan 8.290 nan 0.000 0.515 337 L N 1.253 122.388 121.223 -0.147 0.000 2.313 337 L HA 0.068 4.408 4.340 -0.001 0.000 0.214 337 L C 0.602 177.431 176.870 -0.067 0.000 1.119 337 L CA 0.376 55.140 54.840 -0.127 0.000 0.809 337 L CB -0.187 41.751 42.059 -0.202 0.000 0.933 337 L HN 0.219 nan 8.230 nan 0.000 0.449 338 V N -0.278 119.552 119.914 -0.140 0.000 2.540 338 V HA 0.594 4.714 4.120 -0.001 0.000 0.302 338 V C 0.247 176.206 176.094 -0.226 0.000 1.035 338 V CA -0.894 61.295 62.300 -0.185 0.000 0.873 338 V CB 1.620 33.349 31.823 -0.155 0.000 0.992 338 V HN 0.111 nan 8.190 nan 0.000 0.428 339 A N 4.609 127.291 122.820 -0.229 0.000 2.259 339 A HA 0.778 5.098 4.320 -0.001 0.000 0.278 339 A C -0.047 177.358 177.584 -0.299 0.000 1.107 339 A CA -0.578 51.270 52.037 -0.314 0.000 0.828 339 A CB 0.256 18.945 19.000 -0.519 0.000 1.111 339 A HN 0.815 nan 8.150 nan 0.000 0.498 340 L N 0.826 121.877 121.223 -0.287 0.000 2.506 340 L HA 0.041 4.381 4.340 -0.001 0.000 0.281 340 L C 0.387 177.119 176.870 -0.229 0.000 1.228 340 L CA 0.289 54.999 54.840 -0.217 0.000 0.850 340 L CB -0.111 41.849 42.059 -0.164 0.000 1.110 340 L HN 0.848 nan 8.230 nan 0.000 0.496 341 N N 2.605 121.197 118.700 -0.180 0.000 2.869 341 N HA -0.215 4.524 4.740 -0.001 0.000 0.249 341 N C 0.031 175.404 175.510 -0.228 0.000 1.104 341 N CA 0.848 53.795 53.050 -0.171 0.000 0.760 341 N CB -0.994 37.404 38.487 -0.149 0.000 1.108 341 N HN 0.803 nan 8.380 nan 0.000 0.555 342 M N -1.274 118.166 119.600 -0.267 0.000 2.206 342 M HA -0.254 4.226 4.480 -0.001 0.000 0.197 342 M C -0.627 175.418 176.300 -0.425 0.000 0.375 342 M CA 1.135 56.194 55.300 -0.401 0.000 0.410 342 M CB -1.351 30.905 32.600 -0.573 0.000 1.204 342 M HN 0.189 nan 8.290 nan 0.000 0.932 343 I N 2.954 123.346 120.570 -0.297 0.000 2.291 343 I HA 0.269 4.438 4.170 -0.001 0.000 0.290 343 I C -1.502 174.504 176.117 -0.185 0.000 1.050 343 I CA -1.919 59.256 61.300 -0.208 0.000 1.245 343 I CB 1.026 38.931 38.000 -0.160 0.000 1.405 343 I HN -0.040 nan 8.210 nan 0.000 0.478 344 P HA 0.070 nan 4.420 nan 0.000 0.267 344 P C -0.741 176.536 177.300 -0.039 0.000 1.209 344 P CA -0.046 62.843 63.100 -0.352 0.000 0.763 344 P CB 0.657 31.912 31.700 -0.742 0.000 0.816 345 K N 5.128 125.532 120.400 0.007 0.000 2.107 345 K HA 0.194 4.513 4.320 -0.001 0.000 0.251 345 K C -1.220 175.472 176.600 0.154 0.000 1.012 345 K CA -1.714 54.645 56.287 0.121 0.000 0.920 345 K CB 0.129 32.682 32.500 0.087 0.000 1.033 345 K HN 0.286 nan 8.250 nan 0.000 0.478 346 P HA -0.156 nan 4.420 nan 0.000 0.218 346 P C 0.834 178.218 177.300 0.140 0.000 1.148 346 P CA 1.436 64.662 63.100 0.209 0.000 0.822 346 P CB -0.024 31.779 31.700 0.172 0.000 0.784 347 T N -0.329 114.279 114.554 0.091 0.000 2.849 347 T HA -0.169 4.180 4.350 -0.001 0.000 0.270 347 T C 1.410 176.129 174.700 0.033 0.000 1.066 347 T CA 0.945 63.075 62.100 0.049 0.000 1.130 347 T CB -0.990 67.888 68.868 0.017 0.000 0.864 347 T HN 0.068 nan 8.240 nan 0.000 0.481 348 F N 0.874 120.720 119.950 -0.173 0.000 2.134 348 F HA -0.132 4.395 4.527 -0.001 0.000 0.299 348 F C 1.762 177.373 175.800 -0.315 0.000 1.097 348 F CA 1.128 58.954 58.000 -0.290 0.000 1.264 348 F CB -0.393 38.361 39.000 -0.409 0.000 1.001 348 F HN 0.202 nan 8.300 nan 0.000 0.479 349 Y N -0.305 119.960 120.300 -0.058 0.000 2.516 349 Y HA -0.118 4.432 4.550 -0.001 0.000 0.291 349 Y C 2.456 177.889 175.900 -0.779 0.000 1.131 349 Y CA 1.121 58.946 58.100 -0.459 0.000 1.281 349 Y CB -0.626 37.555 38.460 -0.464 0.000 1.013 349 Y HN 0.004 nan 8.280 nan 0.000 0.554 350 T N -0.035 114.352 114.554 -0.278 0.000 2.701 350 T HA -0.164 4.186 4.350 -0.001 0.000 0.263 350 T C 1.490 176.130 174.700 -0.099 0.000 1.040 350 T CA 1.408 63.399 62.100 -0.181 0.000 1.147 350 T CB -0.505 68.301 68.868 -0.103 0.000 0.865 350 T HN 0.159 nan 8.240 nan 0.000 0.426 351 F N 1.591 121.385 119.950 -0.261 0.000 2.126 351 F HA -0.038 4.488 4.527 -0.001 0.000 0.299 351 F C 2.398 178.102 175.800 -0.161 0.000 1.096 351 F CA 1.180 59.057 58.000 -0.204 0.000 1.255 351 F CB -0.395 38.485 39.000 -0.201 0.000 0.997 351 F HN 0.005 nan 8.300 nan 0.000 0.479 352 K N 0.445 120.747 120.400 -0.163 0.000 2.044 352 K HA -0.192 4.128 4.320 -0.001 0.000 0.210 352 K C 2.038 178.746 176.600 0.181 0.000 1.049 352 K CA 1.790 58.017 56.287 -0.101 0.000 0.927 352 K CB -0.920 31.484 32.500 -0.160 0.000 0.713 352 K HN 0.311 nan 8.250 nan 0.000 0.443 353 F N -0.993 118.963 119.950 0.010 0.000 2.161 353 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 353 F C 1.648 177.335 175.800 -0.189 0.000 1.089 353 F CA 0.134 58.088 58.000 -0.076 0.000 1.282 353 F CB -0.236 38.702 39.000 -0.103 0.000 1.010 353 F HN -0.020 nan 8.300 nan 0.000 0.485 354 F N 0.594 120.437 119.950 -0.179 0.000 2.641 354 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 354 F C 1.865 177.595 175.800 -0.116 0.000 1.146 354 F CA 0.648 58.371 58.000 -0.462 0.000 1.464 354 F CB -0.728 37.465 39.000 -1.345 0.000 1.101 354 F HN -0.037 nan 8.300 nan 0.000 0.585 355 N N -0.009 118.831 118.700 0.234 0.000 2.459 355 N HA -0.062 4.677 4.740 -0.001 0.000 0.181 355 N C 2.006 177.626 175.510 0.183 0.000 1.046 355 N CA 0.941 54.184 53.050 0.321 0.000 0.904 355 N CB -0.120 38.490 38.487 0.206 0.000 0.964 355 N HN 0.277 nan 8.380 nan 0.000 0.444 356 A N 0.628 123.494 122.820 0.078 0.000 2.016 356 A HA 0.063 4.383 4.320 -0.001 0.000 0.217 356 A C 1.101 178.687 177.584 0.003 0.000 1.162 356 A CA 0.306 52.350 52.037 0.011 0.000 0.662 356 A CB -0.043 18.914 19.000 -0.073 0.000 0.812 356 A HN 0.071 nan 8.150 nan 0.000 0.450 357 M N 0.028 119.623 119.600 -0.008 0.000 2.252 357 M HA 0.281 4.760 4.480 -0.001 0.000 0.321 357 M C 0.751 177.144 176.300 0.154 0.000 1.070 357 M CA 0.265 55.565 55.300 0.001 0.000 1.143 357 M CB -0.407 32.150 32.600 -0.071 0.000 1.498 357 M HN 0.251 nan 8.290 nan 0.000 0.445 358 G N 1.008 109.887 108.800 0.132 0.000 2.735 358 G HA2 0.445 4.405 3.960 -0.001 0.000 0.301 358 G HA3 0.445 4.405 3.960 -0.001 0.000 0.301 358 G C 0.495 175.531 174.900 0.227 0.000 1.279 358 G CA -0.403 44.793 45.100 0.160 0.000 1.019 358 G HN 0.680 nan 8.290 nan 0.000 0.497 359 E N 0.223 120.525 120.200 0.169 0.000 2.031 359 E HA -0.091 4.259 4.350 -0.001 0.000 0.193 359 E C 0.477 177.166 176.600 0.149 0.000 0.994 359 E CA 0.853 57.348 56.400 0.159 0.000 0.800 359 E CB -0.067 29.688 29.700 0.092 0.000 0.752 359 E HN 0.568 nan 8.360 nan 0.000 0.447 360 E N 1.113 121.369 120.200 0.093 0.000 2.292 360 E HA 0.061 4.411 4.350 -0.001 0.000 0.265 360 E C -0.111 176.535 176.600 0.076 0.000 1.093 360 E CA -0.109 56.330 56.400 0.064 0.000 0.922 360 E CB 0.253 29.962 29.700 0.014 0.000 1.001 360 E HN 0.073 nan 8.360 nan 0.000 0.444 361 M N 5.613 125.271 119.600 0.096 0.000 2.077 361 M HA 0.140 4.619 4.480 -0.001 0.000 0.348 361 M C -0.050 176.290 176.300 0.068 0.000 1.252 361 M CA -0.199 55.152 55.300 0.084 0.000 1.096 361 M CB 0.386 33.059 32.600 0.121 0.000 1.568 361 M HN 0.592 nan 8.290 nan 0.000 0.456 362 L N 4.933 126.196 121.223 0.067 0.000 2.168 362 L HA 0.177 4.517 4.340 -0.001 0.000 0.203 362 L C 0.062 177.034 176.870 0.170 0.000 1.078 362 L CA 0.465 55.365 54.840 0.100 0.000 0.780 362 L CB -0.034 42.072 42.059 0.078 0.000 0.939 362 L HN 0.663 nan 8.230 nan 0.000 0.451 363 Y N -0.324 119.978 120.300 0.004 0.000 2.597 363 Y HA 0.597 5.147 4.550 -0.001 0.000 0.340 363 Y C -0.940 174.957 175.900 -0.005 0.000 1.097 363 Y CA -1.260 56.843 58.100 0.005 0.000 1.037 363 Y CB 1.578 40.040 38.460 0.002 0.000 1.305 363 Y HN -0.131 nan 8.280 nan 0.000 0.463 364 R N 3.628 123.700 120.500 -0.713 0.000 2.633 364 R HA 0.370 4.710 4.340 -0.001 0.000 0.256 364 R C -2.444 173.553 176.300 -0.504 0.000 1.131 364 R CA -0.378 55.500 56.100 -0.370 0.000 0.994 364 R CB 1.313 31.533 30.300 -0.133 0.000 1.261 364 R HN 0.906 nan 8.270 nan 0.000 0.446 365 D N 0.748 121.013 120.400 -0.225 0.000 2.652 365 D HA 0.129 4.769 4.640 -0.001 0.000 0.285 365 D C 0.089 176.319 176.300 -0.118 0.000 1.173 365 D CA -0.759 53.148 54.000 -0.155 0.000 0.981 365 D CB 0.816 41.591 40.800 -0.041 0.000 1.440 365 D HN 0.494 nan 8.370 nan 0.000 0.485 366 E N -1.210 118.891 120.200 -0.165 0.000 2.393 366 E HA -0.203 4.147 4.350 -0.001 0.000 0.201 366 E C 0.201 176.472 176.600 -0.549 0.000 1.025 366 E CA 0.985 57.206 56.400 -0.298 0.000 0.856 366 E CB -0.213 29.242 29.700 -0.408 0.000 0.771 366 E HN 0.387 nan 8.360 nan 0.000 0.526 367 H N -1.750 117.107 119.070 -0.355 0.000 3.297 367 H HA 0.351 4.907 4.556 -0.001 0.000 0.254 367 H C -0.341 173.975 175.328 -1.687 0.000 1.192 367 H CA -0.016 55.351 56.048 -1.135 0.000 1.058 367 H CB 0.583 30.025 29.762 -0.535 0.000 1.777 367 H HN 0.073 nan 8.280 nan 0.000 0.696 368 M N 1.033 120.066 119.600 -0.944 0.000 2.413 368 M HA 0.399 4.879 4.480 -0.001 0.000 0.287 368 M C -2.210 174.035 176.300 -0.091 0.000 1.186 368 M CA -0.571 54.412 55.300 -0.529 0.000 0.927 368 M CB 2.831 35.357 32.600 -0.124 0.000 1.715 368 M HN 0.025 nan 8.290 nan 0.000 0.478 369 L N 4.935 126.184 121.223 0.044 0.000 2.410 369 L HA 0.827 5.166 4.340 -0.001 0.000 0.270 369 L C -1.831 175.017 176.870 -0.037 0.000 0.983 369 L CA -0.751 54.112 54.840 0.038 0.000 0.822 369 L CB 2.190 44.245 42.059 -0.006 0.000 1.285 369 L HN 0.627 nan 8.230 nan 0.000 0.409 370 V N 2.831 122.745 119.914 -0.000 0.000 2.525 370 V HA 0.595 4.714 4.120 -0.001 0.000 0.299 370 V C 0.017 176.093 176.094 -0.030 0.000 1.034 370 V CA -0.395 61.895 62.300 -0.017 0.000 0.863 370 V CB 1.889 33.741 31.823 0.048 0.000 0.999 370 V HN 0.893 nan 8.190 nan 0.000 0.423 371 T N 1.910 116.424 114.554 -0.067 0.000 2.864 371 T HA 0.807 5.157 4.350 -0.001 0.000 0.289 371 T C -0.713 173.974 174.700 -0.022 0.000 1.082 371 T CA -0.987 61.091 62.100 -0.036 0.000 1.009 371 T CB 2.594 71.434 68.868 -0.046 0.000 1.234 371 T HN 0.654 nan 8.240 nan 0.000 0.526 372 R N 0.162 120.662 120.500 -0.000 0.000 2.621 372 R HA 0.678 5.017 4.340 -0.001 0.000 0.292 372 R C -0.694 175.620 176.300 0.023 0.000 0.969 372 R CA -0.787 55.312 56.100 -0.002 0.000 0.887 372 R CB 1.286 31.569 30.300 -0.028 0.000 1.180 372 R HN 0.638 nan 8.270 nan 0.000 0.450 373 R N 1.279 121.800 120.500 0.034 0.000 2.531 373 R HA 0.212 4.552 4.340 -0.001 0.000 0.260 373 R C 0.602 176.927 176.300 0.042 0.000 1.144 373 R CA -0.460 55.668 56.100 0.048 0.000 1.171 373 R CB 0.332 30.665 30.300 0.055 0.000 1.199 373 R HN 0.641 nan 8.270 nan 0.000 0.594 374 D N 0.900 121.326 120.400 0.043 0.000 2.123 374 D HA -0.174 4.466 4.640 -0.001 0.000 0.196 374 D C 0.968 177.293 176.300 0.042 0.000 0.992 374 D CA 1.705 55.725 54.000 0.034 0.000 0.833 374 D CB -0.239 40.580 40.800 0.032 0.000 0.954 374 D HN 0.638 nan 8.370 nan 0.000 0.455 375 D N -0.322 120.115 120.400 0.060 0.000 2.378 375 D HA -0.021 4.618 4.640 -0.001 0.000 0.222 375 D C 1.594 177.984 176.300 0.149 0.000 0.980 375 D CA 1.174 55.227 54.000 0.087 0.000 0.907 375 D CB -0.337 40.511 40.800 0.079 0.000 0.899 375 D HN 0.336 nan 8.370 nan 0.000 0.527 376 G N -0.199 108.667 108.800 0.111 0.000 2.176 376 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.232 376 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.232 376 G C 0.381 175.366 174.900 0.142 0.000 0.986 376 G CA 0.380 45.531 45.100 0.085 0.000 0.643 376 G HN 0.848 nan 8.290 nan 0.000 0.522 377 S N -0.654 115.188 115.700 0.236 0.000 2.603 377 S HA 0.739 5.208 4.470 -0.001 0.000 0.268 377 S C 0.195 174.852 174.600 0.096 0.000 1.317 377 S CA -0.077 58.275 58.200 0.253 0.000 1.012 377 S CB 2.542 65.855 63.200 0.188 0.000 0.926 377 S HN 1.051 nan 8.310 nan 0.000 0.539 378 V N 0.918 120.875 119.914 0.071 0.000 2.715 378 V HA 0.848 4.967 4.120 -0.001 0.000 0.310 378 V C 0.159 176.245 176.094 -0.015 0.000 1.054 378 V CA -0.542 61.759 62.300 0.002 0.000 0.928 378 V CB 1.513 33.316 31.823 -0.034 0.000 1.007 378 V HN 1.261 nan 8.190 nan 0.000 0.437 379 A N 4.104 126.896 122.820 -0.046 0.000 2.393 379 A HA 0.899 5.218 4.320 -0.001 0.000 0.306 379 A C -1.338 176.181 177.584 -0.109 0.000 1.050 379 A CA -0.480 51.509 52.037 -0.081 0.000 0.724 379 A CB 1.532 20.472 19.000 -0.099 0.000 1.248 379 A HN 0.908 nan 8.150 nan 0.000 0.424 380 L N 2.723 123.879 121.223 -0.111 0.000 2.381 380 L HA 0.824 5.164 4.340 -0.001 0.000 0.268 380 L C -1.655 175.129 176.870 -0.145 0.000 0.997 380 L CA -0.838 53.931 54.840 -0.119 0.000 0.818 380 L CB 1.595 43.588 42.059 -0.110 0.000 1.310 380 L HN 0.670 nan 8.230 nan 0.000 0.416 381 I N 4.663 125.151 120.570 -0.138 0.000 2.468 381 I HA 0.590 4.760 4.170 -0.001 0.000 0.285 381 I C -0.338 175.829 176.117 0.083 0.000 1.039 381 I CA -0.379 60.877 61.300 -0.073 0.000 1.074 381 I CB 1.895 39.768 38.000 -0.212 0.000 1.228 381 I HN 0.715 nan 8.210 nan 0.000 0.436 382 A N 6.270 129.107 122.820 0.029 0.000 2.337 382 A HA 0.938 5.258 4.320 -0.001 0.000 0.331 382 A C -1.747 175.943 177.584 0.176 0.000 1.137 382 A CA -0.433 51.533 52.037 -0.119 0.000 0.807 382 A CB 1.152 19.969 19.000 -0.305 0.000 1.250 382 A HN 0.790 nan 8.150 nan 0.000 0.468 383 W N 0.333 121.669 121.300 0.061 0.000 3.372 383 W HA 0.632 5.292 4.660 -0.001 0.000 0.315 383 W C -1.246 175.318 176.519 0.076 0.000 1.223 383 W CA -0.696 56.707 57.345 0.097 0.000 1.202 383 W CB 1.151 30.694 29.460 0.138 0.000 1.367 383 W HN 0.635 nan 8.180 nan 0.000 0.531 384 N N 2.720 121.566 118.700 0.243 0.000 2.762 384 N HA 0.022 4.762 4.740 -0.001 0.000 0.252 384 N C -0.334 175.293 175.510 0.195 0.000 1.269 384 N CA -0.329 52.778 53.050 0.095 0.000 0.799 384 N CB 0.705 39.258 38.487 0.109 0.000 1.173 384 N HN 0.592 nan 8.380 nan 0.000 0.516 385 E N 1.495 121.855 120.200 0.265 0.000 2.373 385 E HA 0.099 4.449 4.350 -0.001 0.000 0.263 385 E C -0.785 176.035 176.600 0.366 0.000 1.073 385 E CA -0.318 56.298 56.400 0.362 0.000 0.894 385 E CB 1.658 31.579 29.700 0.368 0.000 1.008 385 E HN 0.025 nan 8.360 nan 0.000 0.420 386 V N 4.655 124.844 119.914 0.458 0.000 2.284 386 V HA 0.071 4.190 4.120 -0.001 0.000 0.274 386 V C 0.995 177.246 176.094 0.262 0.000 1.023 386 V CA -0.510 61.965 62.300 0.291 0.000 0.808 386 V CB 0.646 32.581 31.823 0.188 0.000 1.035 386 V HN 0.763 nan 8.190 nan 0.000 0.445 387 M N 2.809 122.588 119.600 0.298 0.000 2.254 387 M HA 0.049 4.528 4.480 -0.001 0.000 0.265 387 M C 0.798 177.126 176.300 0.047 0.000 1.066 387 M CA 1.578 57.014 55.300 0.227 0.000 1.123 387 M CB 0.051 32.839 32.600 0.314 0.000 1.388 387 M HN 0.823 nan 8.290 nan 0.000 0.425 388 D N -1.098 119.339 120.400 0.062 0.000 2.627 388 D HA 0.266 4.906 4.640 -0.001 0.000 0.259 388 D C -0.775 175.532 176.300 0.011 0.000 1.164 388 D CA -0.568 53.449 54.000 0.028 0.000 1.087 388 D CB 1.040 41.872 40.800 0.054 0.000 1.217 388 D HN -0.030 nan 8.370 nan 0.000 0.630 389 K N 0.617 121.024 120.400 0.011 0.000 2.457 389 K HA 0.308 4.627 4.320 -0.001 0.000 0.226 389 K C -0.787 175.828 176.600 0.024 0.000 1.114 389 K CA -0.424 55.870 56.287 0.011 0.000 1.089 389 K CB 0.967 33.467 32.500 0.000 0.000 1.739 389 K HN 0.287 nan 8.250 nan 0.000 0.473 390 T N 0.820 115.396 114.554 0.036 0.000 2.868 390 T HA 0.015 4.364 4.350 -0.001 0.000 0.292 390 T C 1.269 175.991 174.700 0.036 0.000 1.028 390 T CA -0.415 61.709 62.100 0.039 0.000 1.059 390 T CB 1.679 70.577 68.868 0.049 0.000 0.991 390 T HN 0.467 nan 8.240 nan 0.000 0.531 391 E N 0.799 121.018 120.200 0.031 0.000 2.250 391 E HA -0.038 4.311 4.350 -0.001 0.000 0.192 391 E C 0.425 177.045 176.600 0.033 0.000 0.986 391 E CA 0.302 56.719 56.400 0.029 0.000 0.849 391 E CB 0.219 29.932 29.700 0.022 0.000 0.797 391 E HN 0.503 nan 8.360 nan 0.000 0.482 392 N N 0.801 119.522 118.700 0.035 0.000 2.776 392 N HA 0.124 4.864 4.740 -0.001 0.000 0.245 392 N C -1.805 173.733 175.510 0.047 0.000 1.121 392 N CA -1.557 51.516 53.050 0.038 0.000 0.852 392 N CB 1.521 40.025 38.487 0.028 0.000 1.142 392 N HN -0.068 nan 8.380 nan 0.000 0.514 393 P HA 0.049 nan 4.420 nan 0.000 0.224 393 P C -0.420 176.927 177.300 0.078 0.000 1.157 393 P CA 0.356 63.502 63.100 0.076 0.000 0.799 393 P CB 0.230 31.985 31.700 0.091 0.000 0.809 394 D N 1.176 121.622 120.400 0.076 0.000 2.405 394 D HA 0.062 4.701 4.640 -0.001 0.000 0.232 394 D C 0.277 176.620 176.300 0.072 0.000 1.240 394 D CA 1.237 55.288 54.000 0.084 0.000 0.881 394 D CB 0.169 41.012 40.800 0.072 0.000 1.222 394 D HN 0.095 nan 8.370 nan 0.000 0.482 395 E N 0.374 120.633 120.200 0.099 0.000 2.406 395 E HA 0.171 4.520 4.350 -0.001 0.000 0.297 395 E C -1.803 174.866 176.600 0.114 0.000 0.917 395 E CA -0.558 55.881 56.400 0.065 0.000 0.795 395 E CB 0.964 30.733 29.700 0.115 0.000 1.285 395 E HN 0.169 nan 8.360 nan 0.000 0.400 396 D N 2.633 123.011 120.400 -0.037 0.000 2.253 396 D HA 0.339 4.979 4.640 -0.001 0.000 0.249 396 D C -0.522 175.635 176.300 -0.239 0.000 1.049 396 D CA -0.001 53.973 54.000 -0.044 0.000 0.929 396 D CB 1.015 41.768 40.800 -0.079 0.000 1.176 396 D HN 0.294 nan 8.370 nan 0.000 0.437 397 Y N -0.147 119.886 120.300 -0.445 0.000 2.638 397 Y HA 0.309 4.859 4.550 -0.001 0.000 0.339 397 Y C -0.100 175.443 175.900 -0.595 0.000 1.084 397 Y CA -0.856 56.877 58.100 -0.612 0.000 1.068 397 Y CB 2.015 39.837 38.460 -1.064 0.000 1.294 397 Y HN 0.264 nan 8.280 nan 0.000 0.480 398 E N 1.410 121.430 120.200 -0.301 0.000 2.738 398 E HA 0.455 4.804 4.350 -0.001 0.000 0.347 398 E C -2.265 174.222 176.600 -0.188 0.000 1.077 398 E CA -0.161 56.097 56.400 -0.237 0.000 0.755 398 E CB 0.783 30.380 29.700 -0.172 0.000 1.576 398 E HN 0.409 nan 8.360 nan 0.000 0.379 399 V N 2.857 122.661 119.914 -0.185 0.000 2.481 399 V HA 0.336 4.456 4.120 -0.001 0.000 0.286 399 V C 0.163 176.206 176.094 -0.086 0.000 1.042 399 V CA -0.581 61.634 62.300 -0.141 0.000 0.928 399 V CB 1.599 33.346 31.823 -0.126 0.000 0.986 399 V HN 0.558 nan 8.190 nan 0.000 0.462 400 E N 3.890 124.060 120.200 -0.051 0.000 2.035 400 E HA 0.409 4.759 4.350 -0.001 0.000 0.271 400 E C -1.178 175.511 176.600 0.148 0.000 0.953 400 E CA -0.515 55.929 56.400 0.073 0.000 0.777 400 E CB 1.296 31.039 29.700 0.072 0.000 1.104 400 E HN 0.472 nan 8.360 nan 0.000 0.408 401 I N 6.168 126.771 120.570 0.055 0.000 2.331 401 I HA 0.186 4.356 4.170 -0.001 0.000 0.292 401 I C -2.079 173.881 176.117 -0.263 0.000 0.998 401 I CA -2.547 58.712 61.300 -0.069 0.000 1.267 401 I CB 0.911 38.858 38.000 -0.088 0.000 1.386 401 I HN 0.269 nan 8.210 nan 0.000 0.476 402 P HA 0.200 nan 4.420 nan 0.000 0.276 402 P C -0.919 176.088 177.300 -0.487 0.000 1.230 402 P CA -0.114 62.417 63.100 -0.949 0.000 0.776 402 P CB 1.447 32.629 31.700 -0.863 0.000 0.888 403 V N 5.258 124.908 119.914 -0.440 0.000 2.733 403 V HA 0.232 4.352 4.120 -0.001 0.000 0.306 403 V C 1.250 177.054 176.094 -0.483 0.000 1.084 403 V CA -0.648 61.400 62.300 -0.420 0.000 0.905 403 V CB 2.301 33.990 31.823 -0.223 0.000 1.010 403 V HN 0.422 nan 8.190 nan 0.000 0.424 404 R N 2.342 122.369 120.500 -0.790 0.000 2.328 404 R HA 0.154 4.493 4.340 -0.001 0.000 0.200 404 R C -0.400 175.627 176.300 -0.455 0.000 0.983 404 R CA 0.466 56.207 56.100 -0.600 0.000 1.062 404 R CB -0.559 29.400 30.300 -0.569 0.000 0.956 404 R HN 0.508 nan 8.270 nan 0.000 0.479 405 F N -0.207 119.732 119.950 -0.017 0.000 2.594 405 F HA 0.441 4.967 4.527 -0.001 0.000 0.335 405 F C 1.720 177.523 175.800 0.005 0.000 1.058 405 F CA -1.460 56.540 58.000 -0.001 0.000 0.981 405 F CB 0.613 39.617 39.000 0.006 0.000 1.289 405 F HN -0.279 nan 8.300 nan 0.000 0.490 406 R N -0.652 119.984 120.500 0.227 0.000 2.257 406 R HA 0.204 4.544 4.340 -0.001 0.000 0.195 406 R C -0.816 175.559 176.300 0.125 0.000 0.921 406 R CA 0.282 56.461 56.100 0.131 0.000 1.069 406 R CB 0.086 30.442 30.300 0.093 0.000 1.115 406 R HN 0.466 nan 8.270 nan 0.000 0.571 407 D N 1.939 122.416 120.400 0.129 0.000 2.329 407 D HA 0.313 4.952 4.640 -0.001 0.000 0.232 407 D C -1.166 175.197 176.300 0.106 0.000 1.088 407 D CA -0.423 53.632 54.000 0.092 0.000 0.835 407 D CB 2.114 42.946 40.800 0.053 0.000 1.078 407 D HN -0.149 nan 8.370 nan 0.000 0.495 408 V N 4.996 124.982 119.914 0.120 0.000 2.417 408 V HA 0.298 4.417 4.120 -0.001 0.000 0.291 408 V C -0.135 176.046 176.094 0.145 0.000 1.024 408 V CA -0.992 61.389 62.300 0.135 0.000 0.861 408 V CB 1.338 33.247 31.823 0.143 0.000 0.985 408 V HN 0.352 nan 8.190 nan 0.000 0.436 409 F N 6.728 126.666 119.950 -0.019 0.000 2.404 409 F HA 0.662 5.189 4.527 -0.001 0.000 0.345 409 F C -0.253 175.542 175.800 -0.008 0.000 1.110 409 F CA -1.036 56.949 58.000 -0.026 0.000 1.130 409 F CB 0.633 39.599 39.000 -0.057 0.000 1.129 409 F HN 0.333 nan 8.300 nan 0.000 0.500 410 I N 6.339 126.502 120.570 -0.679 0.000 2.433 410 I HA 0.330 4.500 4.170 -0.001 0.000 0.292 410 I C -0.751 174.838 176.117 -0.880 0.000 1.001 410 I CA -0.923 60.018 61.300 -0.600 0.000 1.119 410 I CB 1.879 39.752 38.000 -0.211 0.000 1.289 410 I HN 0.533 nan 8.210 nan 0.000 0.438 411 K N 7.171 127.159 120.400 -0.685 0.000 2.483 411 K HA 0.467 4.787 4.320 -0.001 0.000 0.256 411 K C -0.887 175.426 176.600 -0.478 0.000 0.961 411 K CA -0.704 55.259 56.287 -0.541 0.000 0.873 411 K CB 1.454 33.712 32.500 -0.405 0.000 1.107 411 K HN 0.590 nan 8.250 nan 0.000 0.432 412 R N 3.653 123.842 120.500 -0.518 0.000 2.445 412 R HA 0.267 4.607 4.340 -0.001 0.000 0.308 412 R C -1.073 174.891 176.300 -0.561 0.000 0.961 412 R CA -0.436 55.222 56.100 -0.737 0.000 0.862 412 R CB 1.348 31.108 30.300 -0.900 0.000 1.144 412 R HN 0.645 nan 8.270 nan 0.000 0.447 413 Q N 4.103 123.524 119.800 -0.632 0.000 2.337 413 Q HA 0.397 4.737 4.340 -0.001 0.000 0.270 413 Q C -1.364 174.381 176.000 -0.426 0.000 1.043 413 Q CA -0.865 54.648 55.803 -0.482 0.000 0.794 413 Q CB 2.655 31.062 28.738 -0.552 0.000 1.281 413 Q HN 0.364 nan 8.270 nan 0.000 0.446 414 L N 3.665 124.760 121.223 -0.213 0.000 2.365 414 L HA 0.590 4.929 4.340 -0.001 0.000 0.273 414 L C -1.619 175.298 176.870 0.078 0.000 1.000 414 L CA -0.765 54.019 54.840 -0.094 0.000 0.819 414 L CB 1.770 43.704 42.059 -0.208 0.000 1.284 414 L HN 0.668 nan 8.230 nan 0.000 0.418 415 I N 4.709 125.396 120.570 0.196 0.000 2.468 415 I HA 0.362 4.532 4.170 -0.001 0.000 0.285 415 I C -0.655 175.591 176.117 0.215 0.000 1.039 415 I CA -0.205 61.220 61.300 0.208 0.000 1.074 415 I CB 1.599 39.716 38.000 0.196 0.000 1.228 415 I HN 0.695 nan 8.210 nan 0.000 0.436 416 D N 5.479 126.018 120.400 0.233 0.000 3.158 416 D HA 0.164 4.804 4.640 -0.001 0.000 0.314 416 D C 0.615 177.033 176.300 0.198 0.000 1.308 416 D CA -0.281 53.852 54.000 0.221 0.000 1.001 416 D CB 0.373 41.311 40.800 0.230 0.000 1.389 416 D HN 0.289 nan 8.370 nan 0.000 0.595 417 E N -0.239 120.066 120.200 0.175 0.000 2.427 417 E HA -0.084 4.266 4.350 -0.001 0.000 0.196 417 E C 0.733 177.372 176.600 0.065 0.000 1.028 417 E CA 1.102 57.590 56.400 0.145 0.000 0.864 417 E CB 0.056 29.844 29.700 0.146 0.000 0.813 417 E HN 0.437 nan 8.360 nan 0.000 0.514 418 E N -0.072 120.134 120.200 0.009 0.000 2.473 418 E HA 0.110 4.460 4.350 -0.001 0.000 0.204 418 E C -0.441 175.914 176.600 -0.408 0.000 0.994 418 E CA 0.184 56.463 56.400 -0.202 0.000 0.945 418 E CB 0.370 29.887 29.700 -0.306 0.000 0.990 418 E HN 0.264 nan 8.360 nan 0.000 0.493 419 H N -1.230 117.888 119.070 0.080 0.000 2.689 419 H HA 0.408 4.964 4.556 -0.001 0.000 0.346 419 H C 0.401 175.774 175.328 0.074 0.000 1.037 419 H CA -0.228 55.859 56.048 0.064 0.000 1.234 419 H CB 1.733 31.521 29.762 0.044 0.000 1.572 419 H HN 0.163 nan 8.280 nan 0.000 0.524 420 G N 3.172 112.074 108.800 0.169 0.000 2.221 420 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.265 420 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.265 420 G C 0.195 175.207 174.900 0.187 0.000 1.041 420 G CA 0.477 45.673 45.100 0.160 0.000 0.807 420 G HN 0.766 nan 8.290 nan 0.000 0.502 421 N N 0.564 119.352 118.700 0.147 0.000 3.040 421 N HA 0.301 5.041 4.740 -0.001 0.000 0.305 421 N C -0.369 175.204 175.510 0.106 0.000 1.611 421 N CA -1.555 51.578 53.050 0.140 0.000 1.049 421 N CB 0.963 39.520 38.487 0.118 0.000 1.342 421 N HN 0.141 nan 8.380 nan 0.000 0.497 422 P HA -0.200 nan 4.420 nan 0.000 0.216 422 P C 1.307 178.653 177.300 0.077 0.000 1.154 422 P CA 1.051 64.265 63.100 0.191 0.000 0.865 422 P CB -0.105 31.808 31.700 0.356 0.000 0.789 423 W N 1.755 122.760 121.300 -0.493 0.000 2.321 423 W HA -0.138 4.521 4.660 -0.001 0.000 0.306 423 W C 2.426 178.838 176.519 -0.177 0.000 1.217 423 W CA 2.790 59.687 57.345 -0.746 0.000 1.257 423 W CB -1.434 27.558 29.460 -0.780 0.000 1.145 423 W HN -0.046 nan 8.180 nan 0.000 0.509 424 G N -0.765 107.839 108.800 -0.328 0.000 2.418 424 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.217 424 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.217 424 G C 1.454 175.944 174.900 -0.684 0.000 1.158 424 G CA 1.703 46.436 45.100 -0.612 0.000 0.771 424 G HN 0.316 nan 8.290 nan 0.000 0.545 425 T N -0.287 114.076 114.554 -0.318 0.000 2.821 425 T HA -0.131 4.219 4.350 -0.001 0.000 0.267 425 T C 1.801 176.504 174.700 0.004 0.000 1.046 425 T CA 1.166 63.187 62.100 -0.132 0.000 1.139 425 T CB -0.233 68.692 68.868 0.096 0.000 0.871 425 T HN 0.516 nan 8.240 nan 0.000 0.454 426 W N 1.949 123.175 121.300 -0.123 0.000 2.338 426 W HA -0.098 4.561 4.660 -0.001 0.000 0.304 426 W C 1.655 178.104 176.519 -0.116 0.000 1.212 426 W CA 0.718 58.059 57.345 -0.007 0.000 1.264 426 W CB -0.625 28.940 29.460 0.176 0.000 1.142 426 W HN 0.216 nan 8.180 nan 0.000 0.512 427 I N -0.400 119.970 120.570 -0.333 0.000 2.179 427 I HA -0.369 3.801 4.170 -0.001 0.000 0.242 427 I C 2.571 178.508 176.117 -0.301 0.000 1.088 427 I CA 1.536 62.528 61.300 -0.513 0.000 1.357 427 I CB -0.961 36.681 38.000 -0.596 0.000 1.051 427 I HN -0.022 nan 8.210 nan 0.000 0.409 428 H N 0.636 119.580 119.070 -0.209 0.000 2.321 428 H HA -0.191 4.365 4.556 -0.001 0.000 0.295 428 H C 2.259 177.506 175.328 -0.136 0.000 1.102 428 H CA 1.570 57.530 56.048 -0.145 0.000 1.266 428 H CB -0.569 29.138 29.762 -0.091 0.000 1.363 428 H HN 0.363 nan 8.280 nan 0.000 0.492 429 M N -0.793 118.807 119.600 -0.001 0.000 2.549 429 M HA 0.038 4.518 4.480 -0.001 0.000 0.260 429 M C 1.071 177.292 176.300 -0.130 0.000 1.076 429 M CA 1.062 56.338 55.300 -0.040 0.000 1.090 429 M CB 0.411 33.013 32.600 0.004 0.000 1.418 429 M HN 0.455 nan 8.290 nan 0.000 0.486 430 G N 1.328 109.986 108.800 -0.236 0.000 2.167 430 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.194 430 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.194 430 G C -0.055 174.585 174.900 -0.435 0.000 1.027 430 G CA -0.257 44.682 45.100 -0.268 0.000 0.717 430 G HN 0.489 nan 8.290 nan 0.000 0.501 431 R N -1.591 118.405 120.500 -0.839 0.000 3.158 431 R HA -0.168 4.172 4.340 -0.001 0.000 0.244 431 R C -1.987 173.948 176.300 -0.609 0.000 0.900 431 R CA 0.855 56.053 56.100 -1.503 0.000 0.618 431 R CB -1.531 28.001 30.300 -1.279 0.000 1.061 431 R HN 0.553 nan 8.270 nan 0.000 0.471 432 P HA -0.053 nan 4.420 nan 0.000 0.267 432 P C 0.079 177.484 177.300 0.174 0.000 1.205 432 P CA 0.213 63.322 63.100 0.014 0.000 0.765 432 P CB 0.766 32.509 31.700 0.072 0.000 0.828 433 R N 2.297 122.734 120.500 -0.105 0.000 2.090 433 R HA -0.037 4.303 4.340 -0.001 0.000 0.228 433 R C 0.311 176.163 176.300 -0.746 0.000 1.110 433 R CA 1.445 57.254 56.100 -0.486 0.000 0.973 433 R CB -0.162 29.558 30.300 -0.967 0.000 0.869 433 R HN 0.594 nan 8.270 nan 0.000 0.440 434 Y N 1.359 121.719 120.300 0.100 0.000 2.584 434 Y HA 0.301 4.850 4.550 -0.001 0.000 0.358 434 Y C -2.029 173.907 175.900 0.060 0.000 1.028 434 Y CA -2.576 55.556 58.100 0.054 0.000 1.148 434 Y CB 0.435 38.911 38.460 0.028 0.000 1.126 434 Y HN 0.008 nan 8.280 nan 0.000 0.658 435 P HA -0.017 nan 4.420 nan 0.000 0.269 435 P C 0.200 177.559 177.300 0.098 0.000 1.211 435 P CA 0.220 63.394 63.100 0.123 0.000 0.781 435 P CB 1.221 32.997 31.700 0.126 0.000 0.877 436 S N 0.341 116.087 115.700 0.077 0.000 2.669 436 S HA 0.225 4.694 4.470 -0.001 0.000 0.270 436 S C 1.225 175.850 174.600 0.041 0.000 1.225 436 S CA -0.676 57.558 58.200 0.056 0.000 0.991 436 S CB 1.091 64.319 63.200 0.047 0.000 0.987 436 S HN 0.365 nan 8.310 nan 0.000 0.552 437 K N 0.491 120.908 120.400 0.028 0.000 2.127 437 K HA -0.205 4.115 4.320 -0.001 0.000 0.208 437 K C 2.089 178.701 176.600 0.019 0.000 1.047 437 K CA 2.009 58.306 56.287 0.017 0.000 0.927 437 K CB -0.195 32.311 32.500 0.011 0.000 0.716 437 K HN 0.808 nan 8.250 nan 0.000 0.450 438 E N 0.575 120.790 120.200 0.026 0.000 2.158 438 E HA -0.154 4.196 4.350 -0.001 0.000 0.191 438 E C 1.900 178.523 176.600 0.039 0.000 0.982 438 E CA 0.632 57.049 56.400 0.028 0.000 0.823 438 E CB 0.252 29.968 29.700 0.026 0.000 0.766 438 E HN 0.305 nan 8.360 nan 0.000 0.468 439 Q N -0.108 119.722 119.800 0.050 0.000 2.079 439 Q HA -0.129 4.210 4.340 -0.001 0.000 0.200 439 Q C 2.282 178.325 176.000 0.072 0.000 0.974 439 Q CA 1.494 57.340 55.803 0.072 0.000 0.840 439 Q CB 0.150 28.942 28.738 0.089 0.000 0.898 439 Q HN 0.198 nan 8.270 nan 0.000 0.430 440 V N 1.866 121.808 119.914 0.047 0.000 2.343 440 V HA -0.288 3.832 4.120 -0.001 0.000 0.247 440 V C 2.121 178.225 176.094 0.016 0.000 1.051 440 V CA 1.867 64.179 62.300 0.019 0.000 1.036 440 V CB -0.776 31.042 31.823 -0.009 0.000 0.654 440 V HN 0.508 nan 8.190 nan 0.000 0.451 441 N N 0.083 118.794 118.700 0.019 0.000 2.142 441 N HA -0.174 4.565 4.740 -0.001 0.000 0.186 441 N C 1.796 177.328 175.510 0.036 0.000 1.023 441 N CA 2.032 55.092 53.050 0.018 0.000 0.852 441 N CB -0.009 38.488 38.487 0.017 0.000 0.998 441 N HN 0.488 nan 8.380 nan 0.000 0.424 442 T N 2.232 116.816 114.554 0.050 0.000 2.684 442 T HA -0.076 4.273 4.350 -0.001 0.000 0.267 442 T C 2.078 176.828 174.700 0.083 0.000 1.036 442 T CA 0.893 63.031 62.100 0.064 0.000 1.148 442 T CB -0.231 68.680 68.868 0.072 0.000 0.863 442 T HN 0.186 nan 8.240 nan 0.000 0.436 443 L N 0.489 121.770 121.223 0.095 0.000 1.989 443 L HA -0.149 4.191 4.340 -0.001 0.000 0.211 443 L C 2.873 179.800 176.870 0.096 0.000 1.071 443 L CA 1.638 56.552 54.840 0.123 0.000 0.749 443 L CB -0.547 41.591 42.059 0.131 0.000 0.890 443 L HN 0.179 nan 8.230 nan 0.000 0.431 444 R N 0.342 120.872 120.500 0.050 0.000 2.105 444 R HA -0.203 4.137 4.340 -0.001 0.000 0.239 444 R C 2.097 178.435 176.300 0.063 0.000 1.135 444 R CA 1.633 57.752 56.100 0.030 0.000 0.967 444 R CB -0.057 30.233 30.300 -0.015 0.000 0.861 444 R HN 0.423 nan 8.270 nan 0.000 0.442 445 E N -0.664 119.574 120.200 0.064 0.000 2.107 445 E HA -0.124 4.225 4.350 -0.001 0.000 0.191 445 E C 1.876 178.528 176.600 0.085 0.000 0.982 445 E CA 1.246 57.688 56.400 0.069 0.000 0.809 445 E CB 0.220 29.955 29.700 0.058 0.000 0.756 445 E HN 0.168 nan 8.360 nan 0.000 0.459 446 V N 1.073 121.046 119.914 0.098 0.000 2.488 446 V HA -0.078 4.041 4.120 -0.001 0.000 0.246 446 V C 1.560 177.733 176.094 0.132 0.000 1.046 446 V CA 1.219 63.584 62.300 0.109 0.000 1.053 446 V CB -0.209 31.683 31.823 0.115 0.000 0.679 446 V HN 0.198 nan 8.190 nan 0.000 0.458 447 A N 0.630 123.544 122.820 0.157 0.000 2.900 447 A HA 0.182 4.502 4.320 -0.001 0.000 0.246 447 A C 0.487 178.244 177.584 0.288 0.000 1.725 447 A CA 0.495 52.668 52.037 0.226 0.000 1.400 447 A CB -0.752 18.370 19.000 0.202 0.000 0.973 447 A HN 0.524 nan 8.150 nan 0.000 0.635 448 K N 0.824 121.303 120.400 0.132 0.000 2.498 448 K HA 0.464 4.783 4.320 -0.001 0.000 0.254 448 K C -3.018 173.460 176.600 -0.203 0.000 0.933 448 K CA -1.995 54.266 56.287 -0.043 0.000 0.806 448 K CB 2.788 35.318 32.500 0.051 0.000 1.301 448 K HN 0.106 nan 8.250 nan 0.000 0.432 449 P HA 0.014 nan 4.420 nan 0.000 0.274 449 P C -1.030 176.210 177.300 -0.101 0.000 1.246 449 P CA -0.256 62.704 63.100 -0.233 0.000 0.795 449 P CB 0.719 32.301 31.700 -0.197 0.000 1.006 450 E N 1.125 121.268 120.200 -0.095 0.000 2.289 450 E HA 0.299 4.648 4.350 -0.001 0.000 0.278 450 E C -0.615 175.879 176.600 -0.178 0.000 1.032 450 E CA -0.659 55.649 56.400 -0.153 0.000 0.854 450 E CB 0.150 29.616 29.700 -0.390 0.000 1.046 450 E HN 0.264 nan 8.360 nan 0.000 0.409 451 I N 1.830 122.316 120.570 -0.140 0.000 2.433 451 I HA 0.442 4.612 4.170 -0.001 0.000 0.292 451 I C -0.592 175.435 176.117 -0.150 0.000 1.001 451 I CA -0.723 60.483 61.300 -0.158 0.000 1.119 451 I CB 1.600 39.539 38.000 -0.102 0.000 1.289 451 I HN 0.415 nan 8.210 nan 0.000 0.438 452 M N 5.199 124.678 119.600 -0.201 0.000 2.263 452 M HA 0.504 4.984 4.480 -0.001 0.000 0.295 452 M C -0.607 175.585 176.300 -0.181 0.000 1.028 452 M CA -0.490 54.712 55.300 -0.163 0.000 0.921 452 M CB 2.619 35.115 32.600 -0.174 0.000 1.601 452 M HN 0.868 nan 8.290 nan 0.000 0.440 453 T N -0.320 114.174 114.554 -0.100 0.000 2.936 453 T HA 0.908 5.257 4.350 -0.001 0.000 0.282 453 T C 0.053 174.722 174.700 -0.053 0.000 1.003 453 T CA -0.618 61.421 62.100 -0.102 0.000 1.005 453 T CB 1.844 70.775 68.868 0.105 0.000 1.097 453 T HN 0.832 nan 8.240 nan 0.000 0.532 454 S N -0.395 115.275 115.700 -0.049 0.000 2.683 454 S HA 0.540 5.010 4.470 -0.001 0.000 0.269 454 S C -2.004 172.634 174.600 0.064 0.000 1.165 454 S CA -0.953 57.254 58.200 0.013 0.000 0.840 454 S CB 1.687 64.879 63.200 -0.012 0.000 1.169 454 S HN 1.048 nan 8.310 nan 0.000 0.490 455 Q N 1.282 121.126 119.800 0.074 0.000 2.567 455 Q HA 0.458 4.797 4.340 -0.001 0.000 0.233 455 Q C -3.210 172.833 176.000 0.072 0.000 0.833 455 Q CA -0.934 54.931 55.803 0.103 0.000 0.844 455 Q CB 2.143 30.964 28.738 0.139 0.000 1.423 455 Q HN 0.780 nan 8.270 nan 0.000 0.442 456 P HA 0.615 nan 4.420 nan 0.000 0.295 456 P C -1.038 176.300 177.300 0.064 0.000 1.303 456 P CA -0.595 62.539 63.100 0.057 0.000 0.907 456 P CB 2.195 33.925 31.700 0.050 0.000 1.322 457 V N -0.194 119.755 119.914 0.058 0.000 2.604 457 V HA 0.587 4.707 4.120 -0.001 0.000 0.305 457 V C 0.135 176.267 176.094 0.063 0.000 1.043 457 V CA -0.892 61.446 62.300 0.064 0.000 0.888 457 V CB 1.387 33.242 31.823 0.054 0.000 0.995 457 V HN 0.815 nan 8.190 nan 0.000 0.429 458 A N 4.446 127.310 122.820 0.074 0.000 2.309 458 A HA 0.587 4.907 4.320 -0.001 0.000 0.290 458 A C -0.016 177.608 177.584 0.068 0.000 1.206 458 A CA -0.437 51.642 52.037 0.070 0.000 0.850 458 A CB -0.062 18.975 19.000 0.062 0.000 1.118 458 A HN 0.787 nan 8.150 nan 0.000 0.523 459 N N 2.166 120.908 118.700 0.070 0.000 2.399 459 N HA 0.285 5.024 4.740 -0.001 0.000 0.295 459 N C -0.832 174.728 175.510 0.084 0.000 1.048 459 N CA -0.190 52.898 53.050 0.063 0.000 0.886 459 N CB 1.481 39.994 38.487 0.044 0.000 1.185 459 N HN 0.642 nan 8.380 nan 0.000 0.487 460 D N 1.183 121.628 120.400 0.075 0.000 3.041 460 D HA -0.177 4.463 4.640 -0.001 0.000 0.220 460 D C 0.899 177.305 176.300 0.177 0.000 1.157 460 D CA 1.360 55.415 54.000 0.092 0.000 0.876 460 D CB -1.216 39.619 40.800 0.057 0.000 1.107 460 D HN 0.978 nan 8.370 nan 0.000 0.422 461 G N -1.087 107.793 108.800 0.134 0.000 2.199 461 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.254 461 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.254 461 G C -0.043 174.866 174.900 0.015 0.000 0.982 461 G CA 0.573 45.722 45.100 0.081 0.000 0.632 461 G HN 0.415 nan 8.290 nan 0.000 0.529 462 Y N -0.619 119.668 120.300 -0.022 0.000 2.429 462 Y HA 0.738 5.288 4.550 -0.001 0.000 0.342 462 Y C 0.271 176.160 175.900 -0.019 0.000 1.004 462 Y CA -1.109 56.974 58.100 -0.028 0.000 1.075 462 Y CB 1.874 40.313 38.460 -0.034 0.000 1.214 462 Y HN 0.250 nan 8.280 nan 0.000 0.455 463 L N 3.801 125.079 121.223 0.092 0.000 2.322 463 L HA 0.516 4.856 4.340 -0.001 0.000 0.281 463 L C -0.716 176.184 176.870 0.049 0.000 1.014 463 L CA -0.558 54.317 54.840 0.057 0.000 0.815 463 L CB 0.925 43.000 42.059 0.028 0.000 1.247 463 L HN 0.647 nan 8.230 nan 0.000 0.421 464 N N 5.884 124.604 118.700 0.034 0.000 2.426 464 N HA 0.343 5.083 4.740 -0.001 0.000 0.257 464 N C -1.378 174.125 175.510 -0.013 0.000 1.002 464 N CA -0.344 52.709 53.050 0.005 0.000 0.942 464 N CB 1.153 39.639 38.487 -0.002 0.000 1.112 464 N HN 0.614 nan 8.380 nan 0.000 0.499 465 L N 3.304 124.502 121.223 -0.043 0.000 2.282 465 L HA 0.434 4.774 4.340 -0.001 0.000 0.288 465 L C 0.161 177.000 176.870 -0.052 0.000 1.033 465 L CA -0.550 54.269 54.840 -0.036 0.000 0.807 465 L CB 1.333 43.320 42.059 -0.120 0.000 1.209 465 L HN 0.282 nan 8.230 nan 0.000 0.423 466 K N 4.683 125.093 120.400 0.018 0.000 2.345 466 K HA 0.727 5.046 4.320 -0.001 0.000 0.255 466 K C -1.309 175.362 176.600 0.119 0.000 0.934 466 K CA -0.544 55.710 56.287 -0.054 0.000 0.801 466 K CB 2.233 34.720 32.500 -0.022 0.000 1.137 466 K HN 0.385 nan 8.250 nan 0.000 0.424 467 F N -1.102 118.871 119.950 0.038 0.000 2.744 467 F HA 0.517 5.044 4.527 -0.001 0.000 0.311 467 F C -1.818 174.050 175.800 0.113 0.000 1.144 467 F CA -1.445 56.601 58.000 0.076 0.000 0.938 467 F CB 0.771 39.834 39.000 0.105 0.000 1.292 467 F HN 0.078 nan 8.300 nan 0.000 0.444 468 K N 2.112 122.740 120.400 0.381 0.000 2.221 468 K HA 0.696 5.016 4.320 -0.001 0.000 0.258 468 K C -1.590 175.200 176.600 0.316 0.000 0.944 468 K CA -0.633 55.825 56.287 0.285 0.000 0.823 468 K CB 1.787 34.389 32.500 0.170 0.000 1.113 468 K HN 0.624 nan 8.250 nan 0.000 0.431 469 L N 2.412 123.818 121.223 0.305 0.000 2.265 469 L HA 0.481 4.821 4.340 -0.001 0.000 0.289 469 L C 0.822 177.806 176.870 0.190 0.000 1.033 469 L CA 0.151 55.137 54.840 0.243 0.000 0.814 469 L CB 1.268 43.477 42.059 0.249 0.000 1.203 469 L HN 0.820 nan 8.230 nan 0.000 0.423 470 G N 2.291 111.193 108.800 0.171 0.000 2.525 470 G HA2 0.105 4.064 3.960 -0.001 0.000 0.276 470 G HA3 0.105 4.064 3.960 -0.001 0.000 0.276 470 G C -0.259 174.736 174.900 0.159 0.000 1.388 470 G CA -0.652 44.540 45.100 0.153 0.000 1.050 470 G HN 0.576 nan 8.290 nan 0.000 0.520 471 K N 0.568 121.059 120.400 0.150 0.000 2.447 471 K HA -0.050 4.269 4.320 -0.001 0.000 0.281 471 K C 0.302 177.023 176.600 0.202 0.000 1.031 471 K CA 0.229 56.615 56.287 0.164 0.000 1.019 471 K CB -0.037 32.551 32.500 0.146 0.000 0.918 471 K HN 0.547 nan 8.250 nan 0.000 0.476 472 N N 0.344 119.186 118.700 0.237 0.000 2.681 472 N HA -0.246 4.494 4.740 -0.001 0.000 0.250 472 N C -0.488 175.167 175.510 0.241 0.000 1.133 472 N CA 1.152 54.367 53.050 0.275 0.000 0.732 472 N CB -1.407 37.271 38.487 0.317 0.000 1.107 472 N HN 0.664 nan 8.380 nan 0.000 0.559 473 A N 0.017 122.971 122.820 0.222 0.000 2.346 473 A HA 0.557 4.877 4.320 -0.001 0.000 0.252 473 A C 0.507 178.236 177.584 0.242 0.000 1.089 473 A CA 0.083 52.248 52.037 0.213 0.000 0.797 473 A CB 0.956 20.067 19.000 0.185 0.000 1.047 473 A HN 0.124 nan 8.150 nan 0.000 0.494 474 V N 1.214 121.272 119.914 0.239 0.000 2.697 474 V HA 0.493 4.612 4.120 -0.001 0.000 0.300 474 V C -0.620 175.625 176.094 0.253 0.000 1.115 474 V CA -0.509 61.970 62.300 0.298 0.000 0.912 474 V CB 1.131 33.150 31.823 0.327 0.000 1.024 474 V HN 0.961 nan 8.190 nan 0.000 0.431 475 V N 6.215 126.189 119.914 0.100 0.000 2.914 475 V HA 0.754 4.874 4.120 -0.001 0.000 0.314 475 V C -1.402 174.523 176.094 -0.281 0.000 1.084 475 V CA -0.632 61.579 62.300 -0.148 0.000 0.963 475 V CB 2.178 33.834 31.823 -0.279 0.000 1.025 475 V HN 0.790 nan 8.190 nan 0.000 0.432 476 L N 5.506 126.368 121.223 -0.601 0.000 2.410 476 L HA 0.634 4.973 4.340 -0.001 0.000 0.270 476 L C -2.076 174.467 176.870 -0.544 0.000 0.983 476 L CA -0.507 53.978 54.840 -0.593 0.000 0.822 476 L CB 2.040 43.481 42.059 -1.029 0.000 1.285 476 L HN 0.798 nan 8.230 nan 0.000 0.409 477 Y N 2.660 122.712 120.300 -0.415 0.000 2.350 477 Y HA 0.412 4.962 4.550 -0.001 0.000 0.338 477 Y C -0.313 175.426 175.900 -0.268 0.000 0.961 477 Y CA -0.636 57.258 58.100 -0.343 0.000 1.100 477 Y CB 2.008 40.285 38.460 -0.304 0.000 1.179 477 Y HN 0.477 nan 8.280 nan 0.000 0.454 478 E N 4.858 124.979 120.200 -0.132 0.000 2.155 478 E HA 0.448 4.798 4.350 -0.001 0.000 0.264 478 E C -1.353 175.190 176.600 -0.094 0.000 0.886 478 E CA -0.544 55.793 56.400 -0.105 0.000 0.752 478 E CB 1.596 31.222 29.700 -0.124 0.000 1.133 478 E HN 0.505 nan 8.360 nan 0.000 0.414 479 L N 3.513 124.726 121.223 -0.018 0.000 2.276 479 L HA 0.389 4.729 4.340 -0.001 0.000 0.286 479 L C 0.372 177.311 176.870 0.116 0.000 1.024 479 L CA -0.576 54.279 54.840 0.025 0.000 0.826 479 L CB 0.672 42.764 42.059 0.055 0.000 1.211 479 L HN 0.543 nan 8.230 nan 0.000 0.422 480 T N -1.368 113.236 114.554 0.084 0.000 2.927 480 T HA 0.372 4.722 4.350 -0.001 0.000 0.286 480 T C -0.338 174.246 174.700 -0.193 0.000 1.040 480 T CA -0.891 61.227 62.100 0.030 0.000 1.010 480 T CB 2.172 71.073 68.868 0.055 0.000 1.177 480 T HN 0.511 nan 8.240 nan 0.000 0.546 481 E N 0.487 120.232 120.200 -0.759 0.000 2.259 481 E HA 0.196 4.546 4.350 -0.001 0.000 0.281 481 E C -0.129 176.262 176.600 -0.350 0.000 1.037 481 E CA -0.565 55.253 56.400 -0.969 0.000 0.854 481 E CB 0.623 29.364 29.700 -1.597 0.000 1.051 481 E HN 0.511 nan 8.360 nan 0.000 0.409 482 R N 5.711 126.112 120.500 -0.166 0.000 2.202 482 R HA 0.268 4.608 4.340 -0.001 0.000 0.334 482 R C -0.701 175.547 176.300 -0.086 0.000 1.036 482 R CA -0.358 55.696 56.100 -0.077 0.000 0.878 482 R CB 0.452 30.765 30.300 0.022 0.000 1.067 482 R HN 0.578 nan 8.270 nan 0.000 0.457 483 I N 4.652 125.163 120.570 -0.098 0.000 2.388 483 I HA 0.090 4.260 4.170 -0.001 0.000 0.281 483 I C -0.091 175.996 176.117 -0.050 0.000 1.046 483 I CA -0.578 60.681 61.300 -0.067 0.000 1.187 483 I CB 1.225 39.181 38.000 -0.074 0.000 1.351 483 I HN 0.574 nan 8.210 nan 0.000 0.472 484 D N 6.048 126.432 120.400 -0.027 0.000 2.417 484 D HA 0.018 4.657 4.640 -0.001 0.000 0.250 484 D C 0.397 176.705 176.300 0.013 0.000 1.166 484 D CA 0.551 54.545 54.000 -0.011 0.000 0.881 484 D CB 1.102 41.901 40.800 -0.000 0.000 1.164 484 D HN 0.561 nan 8.370 nan 0.000 0.467 485 E N 1.401 121.628 120.200 0.045 0.000 2.538 485 E HA 0.044 4.393 4.350 -0.001 0.000 0.207 485 E C 1.539 178.264 176.600 0.208 0.000 1.002 485 E CA -0.151 56.303 56.400 0.090 0.000 0.952 485 E CB 0.519 30.274 29.700 0.091 0.000 1.031 485 E HN 0.327 nan 8.360 nan 0.000 0.476 486 S N 0.879 116.678 115.700 0.167 0.000 2.387 486 S HA -0.212 4.257 4.470 -0.001 0.000 0.230 486 S C 2.058 176.794 174.600 0.228 0.000 1.035 486 S CA 1.644 59.959 58.200 0.191 0.000 1.014 486 S CB -0.246 62.975 63.200 0.035 0.000 0.836 486 S HN 0.413 nan 8.310 nan 0.000 0.466 487 S N 0.856 116.628 115.700 0.120 0.000 2.547 487 S HA -0.047 4.422 4.470 -0.001 0.000 0.235 487 S C 1.368 176.003 174.600 0.059 0.000 0.980 487 S CA 1.059 59.305 58.200 0.078 0.000 0.941 487 S CB -0.676 62.548 63.200 0.039 0.000 0.763 487 S HN 0.483 nan 8.310 nan 0.000 0.532 488 T N 0.389 114.972 114.554 0.049 0.000 3.081 488 T HA 0.151 4.500 4.350 -0.001 0.000 0.255 488 T C -0.410 174.167 174.700 -0.204 0.000 1.113 488 T CA 0.259 62.289 62.100 -0.116 0.000 1.082 488 T CB -0.339 68.381 68.868 -0.246 0.000 0.939 488 T HN 0.516 nan 8.240 nan 0.000 0.506 489 Y N 1.878 122.166 120.300 -0.021 0.000 2.650 489 Y HA 0.405 4.954 4.550 -0.001 0.000 0.343 489 Y C 0.549 176.439 175.900 -0.016 0.000 1.078 489 Y CA -1.727 56.360 58.100 -0.020 0.000 1.356 489 Y CB -0.877 37.568 38.460 -0.025 0.000 1.204 489 Y HN 0.120 nan 8.280 nan 0.000 0.508 490 I N 3.219 123.825 120.570 0.061 0.000 2.943 490 I HA -0.119 4.050 4.170 -0.001 0.000 0.296 490 I C 1.379 177.529 176.117 0.055 0.000 1.220 490 I CA 1.284 62.609 61.300 0.041 0.000 1.409 490 I CB -0.186 37.821 38.000 0.011 0.000 1.374 490 I HN 0.980 nan 8.210 nan 0.000 0.545 491 G N 5.257 114.085 108.800 0.047 0.000 2.159 491 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.256 491 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.256 491 G C 0.342 175.266 174.900 0.040 0.000 0.977 491 G CA -0.336 44.786 45.100 0.038 0.000 0.652 491 G HN 0.596 nan 8.290 nan 0.000 0.531 492 L N 0.852 122.111 121.223 0.060 0.000 2.628 492 L HA 0.416 4.755 4.340 -0.001 0.000 0.274 492 L C -0.236 176.636 176.870 0.004 0.000 1.209 492 L CA 1.265 56.124 54.840 0.031 0.000 0.930 492 L CB 0.549 42.632 42.059 0.039 0.000 1.183 492 L HN 0.291 nan 8.230 nan 0.000 0.492 493 D N 2.762 123.155 120.400 -0.012 0.000 2.362 493 D HA 0.109 4.748 4.640 -0.001 0.000 0.232 493 D C 0.350 176.643 176.300 -0.012 0.000 1.329 493 D CA -0.442 53.554 54.000 -0.008 0.000 0.944 493 D CB 0.806 41.611 40.800 0.008 0.000 1.471 493 D HN 0.474 nan 8.370 nan 0.000 0.533 494 D N 0.642 121.024 120.400 -0.031 0.000 2.265 494 D HA -0.152 4.488 4.640 -0.001 0.000 0.208 494 D C 1.789 178.116 176.300 0.046 0.000 0.977 494 D CA 1.184 55.162 54.000 -0.037 0.000 0.871 494 D CB 0.069 40.819 40.800 -0.083 0.000 0.925 494 D HN 0.481 nan 8.370 nan 0.000 0.485 495 S N 0.014 115.745 115.700 0.052 0.000 2.547 495 S HA -0.043 4.427 4.470 -0.001 0.000 0.235 495 S C 1.376 176.015 174.600 0.065 0.000 0.980 495 S CA 0.365 58.609 58.200 0.074 0.000 0.941 495 S CB -0.093 63.136 63.200 0.048 0.000 0.763 495 S HN 0.198 nan 8.310 nan 0.000 0.532 496 K N 0.698 121.128 120.400 0.050 0.000 2.437 496 K HA 0.361 4.681 4.320 -0.001 0.000 0.198 496 K C -0.375 176.259 176.600 0.056 0.000 1.024 496 K CA 0.039 56.352 56.287 0.042 0.000 1.148 496 K CB 0.068 32.583 32.500 0.026 0.000 0.860 496 K HN 0.475 nan 8.250 nan 0.000 0.515 497 I N 1.417 122.047 120.570 0.099 0.000 2.404 497 I HA 0.090 4.259 4.170 -0.001 0.000 0.293 497 I C -0.096 176.131 176.117 0.183 0.000 0.992 497 I CA -0.883 60.503 61.300 0.143 0.000 1.149 497 I CB 1.492 39.593 38.000 0.167 0.000 1.315 497 I HN 0.067 nan 8.210 nan 0.000 0.446 498 N N 5.400 124.171 118.700 0.119 0.000 2.276 498 N HA -0.074 4.665 4.740 -0.001 0.000 0.279 498 N C 1.027 176.522 175.510 -0.026 0.000 1.379 498 N CA 0.979 54.060 53.050 0.051 0.000 0.886 498 N CB 0.214 38.721 38.487 0.035 0.000 1.199 498 N HN 1.094 nan 8.380 nan 0.000 0.493 499 G N 1.510 110.257 108.800 -0.089 0.000 2.217 499 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.246 499 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.246 499 G C -0.254 174.427 174.900 -0.365 0.000 0.990 499 G CA -0.102 44.848 45.100 -0.251 0.000 0.627 499 G HN 0.565 nan 8.290 nan 0.000 0.522 500 Y N 0.000 120.297 120.300 -0.005 0.000 2.660 500 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 500 Y CA 0.000 58.096 58.100 -0.007 0.000 1.940 500 Y CB 0.000 38.454 38.460 -0.010 0.000 1.050 500 Y HN 0.000 nan 8.280 nan 0.000 0.758