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 1oxa_1_A DATA FIRST_RESID 2 DATA SEQUENCE ATVPDLESDS FHVDWYSTYA ELRETAPVTP VRFLGQDAWL VTGYDEAKAA DATA SEQUENCE LSDLRLSSDP KKKYPGVEVE FPAYLGFPED VRNYFATNMG TSDPPTHTRL DATA SEQUENCE RKLVSQEFTV RRVEAMRPRV EQITAELLDE VGDSGVVDIV DRFAHPLPIK DATA SEQUENCE VICELLGVDE AARGAFGRWS SEILVMDPER AEQRGQAARE VVNFILDLVE DATA SEQUENCE RRRTEPGDDL LSALISVQDD DDGRLSADEL TSIALVLLLA GFEASVSLIG DATA SEQUENCE IGTYLLLTHP DQLALVRADP SALPNAVEEI LRYIAPPETT TRFAAEEVEI DATA SEQUENCE GGVAIPQYST VLVANGAANR DPSQFPDPHR FDVTRDTRGH LSFGQGIHFC DATA SEQUENCE MGRPLAKLEG EVALRALFGR FPALSLGIDA DDVVWRRSLL LRGIDHLPVR DATA SEQUENCE LDG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.578 177.584 -0.010 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 3 T N 1.775 116.323 114.554 -0.010 0.000 2.864 3 T HA 0.559 5.087 4.350 0.297 0.000 0.310 3 T C -0.250 174.441 174.700 -0.014 0.000 1.040 3 T CA 0.057 62.153 62.100 -0.008 0.000 0.977 3 T CB 0.463 69.332 68.868 0.001 0.000 0.976 3 T HN 1.658 nan 8.240 nan 0.000 0.459 4 V N 2.268 122.167 119.914 -0.025 0.000 2.509 4 V HA 0.663 4.961 4.120 0.297 0.000 0.284 4 V C -2.571 173.517 176.094 -0.010 0.000 1.047 4 V CA -2.343 59.932 62.300 -0.041 0.000 0.952 4 V CB 0.251 32.026 31.823 -0.080 0.000 0.988 4 V HN 0.492 nan 8.190 nan 0.000 0.469 5 P HA 0.384 nan 4.420 nan 0.000 0.278 5 P C -1.206 176.094 177.300 -0.000 0.000 1.238 5 P CA 0.039 63.187 63.100 0.081 0.000 0.794 5 P CB 0.563 32.381 31.700 0.196 0.000 0.955 6 D N 1.607 122.024 120.400 0.029 0.000 2.414 6 D HA 0.136 4.955 4.640 0.297 0.000 0.232 6 D C 0.903 177.096 176.300 -0.179 0.000 1.070 6 D CA -0.360 53.616 54.000 -0.040 0.000 0.839 6 D CB 0.570 41.389 40.800 0.031 0.000 1.079 6 D HN 0.178 nan 8.370 nan 0.000 0.521 7 L N 2.698 123.629 121.223 -0.487 0.000 2.551 7 L HA -0.062 4.456 4.340 0.297 0.000 0.230 7 L C 1.364 178.022 176.870 -0.354 0.000 1.163 7 L CA 0.871 55.123 54.840 -0.980 0.000 0.826 7 L CB -0.269 41.017 42.059 -1.289 0.000 0.943 7 L HN 0.516 nan 8.230 nan 0.000 0.452 8 E N -0.190 120.018 120.200 0.013 0.000 2.442 8 E HA -0.016 4.512 4.350 0.297 0.000 0.195 8 E C 1.106 177.823 176.600 0.195 0.000 1.030 8 E CA 0.155 56.663 56.400 0.180 0.000 0.869 8 E CB 0.236 30.046 29.700 0.184 0.000 0.857 8 E HN 0.471 nan 8.360 nan 0.000 0.505 9 S N 0.752 116.569 115.700 0.194 0.000 2.584 9 S HA 0.001 4.649 4.470 0.297 0.000 0.270 9 S C 0.429 175.176 174.600 0.245 0.000 1.346 9 S CA -0.488 57.831 58.200 0.199 0.000 1.018 9 S CB 1.027 64.338 63.200 0.186 0.000 0.899 9 S HN -0.092 nan 8.310 nan 0.000 0.542 10 D N 1.036 121.530 120.400 0.156 0.000 2.309 10 D HA -0.014 4.804 4.640 0.297 0.000 0.212 10 D C 1.671 178.005 176.300 0.057 0.000 0.968 10 D CA 1.118 55.201 54.000 0.138 0.000 0.882 10 D CB -0.213 40.636 40.800 0.082 0.000 0.918 10 D HN 0.532 nan 8.370 nan 0.000 0.503 11 S N -0.364 115.322 115.700 -0.022 0.000 2.442 11 S HA -0.082 4.566 4.470 0.297 0.000 0.236 11 S C 1.040 175.338 174.600 -0.503 0.000 1.007 11 S CA 0.524 58.574 58.200 -0.249 0.000 0.965 11 S CB -0.148 62.853 63.200 -0.332 0.000 0.773 11 S HN 0.302 nan 8.310 nan 0.000 0.504 12 F N 0.366 120.144 119.950 -0.286 0.000 2.660 12 F HA 0.257 4.961 4.527 0.295 0.000 0.302 12 F C 1.495 176.710 175.800 -0.975 0.000 1.103 12 F CA 0.142 57.776 58.000 -0.610 0.000 1.340 12 F CB 0.199 38.796 39.000 -0.671 0.000 1.048 12 F HN 0.272 nan 8.300 nan 0.000 0.551 13 H N -1.815 117.210 119.070 -0.075 0.000 3.650 13 H HA 0.380 5.113 4.556 0.295 0.000 0.260 13 H C -0.592 174.824 175.328 0.146 0.000 1.194 13 H CA 0.319 56.281 56.048 -0.142 0.000 1.135 13 H CB 0.834 30.516 29.762 -0.135 0.000 1.612 13 H HN -0.170 nan 8.280 nan 0.000 0.703 14 V N 2.293 122.356 119.914 0.248 0.000 2.398 14 V HA 0.119 4.418 4.120 0.297 0.000 0.282 14 V C 0.102 176.218 176.094 0.037 0.000 1.014 14 V CA -0.765 61.645 62.300 0.183 0.000 0.838 14 V CB 1.804 33.681 31.823 0.091 0.000 1.018 14 V HN 0.290 nan 8.190 nan 0.000 0.432 15 D N 3.148 123.497 120.400 -0.085 0.000 2.746 15 D HA -0.246 4.572 4.640 0.297 0.000 0.236 15 D C 0.823 176.869 176.300 -0.423 0.000 1.129 15 D CA 1.405 55.197 54.000 -0.346 0.000 0.691 15 D CB -0.710 39.964 40.800 -0.210 0.000 1.077 15 D HN 0.862 nan 8.370 nan 0.000 0.432 16 W N -1.136 119.859 121.300 -0.509 0.000 2.364 16 W HA -0.138 4.696 4.660 0.289 0.000 0.281 16 W C 1.580 177.618 176.519 -0.802 0.000 1.219 16 W CA 0.910 57.789 57.345 -0.777 0.000 1.220 16 W CB -1.153 27.742 29.460 -0.942 0.000 1.127 16 W HN 0.166 nan 8.180 nan 0.000 0.556 17 Y N 1.177 121.015 120.300 -0.770 0.000 2.574 17 Y HA -0.121 4.612 4.550 0.305 0.000 0.294 17 Y C 2.841 178.619 175.900 -0.204 0.000 1.142 17 Y CA 1.474 59.349 58.100 -0.374 0.000 1.314 17 Y CB -0.887 37.306 38.460 -0.445 0.000 0.991 17 Y HN 0.187 nan 8.280 nan 0.000 0.555 18 S N -1.151 114.427 115.700 -0.204 0.000 2.406 18 S HA -0.114 4.534 4.470 0.297 0.000 0.224 18 S C 2.068 176.596 174.600 -0.119 0.000 1.030 18 S CA 1.525 59.646 58.200 -0.131 0.000 0.958 18 S CB -0.301 62.789 63.200 -0.183 0.000 0.811 18 S HN 0.439 nan 8.310 nan 0.000 0.489 19 T N 1.048 115.446 114.554 -0.259 0.000 2.777 19 T HA -0.025 4.503 4.350 0.297 0.000 0.266 19 T C 1.357 175.968 174.700 -0.148 0.000 1.040 19 T CA 1.232 63.134 62.100 -0.329 0.000 1.141 19 T CB -0.441 68.012 68.868 -0.693 0.000 0.868 19 T HN 0.423 nan 8.240 nan 0.000 0.444 20 Y N 1.641 121.881 120.300 -0.101 0.000 2.224 20 Y HA 0.097 4.822 4.550 0.292 0.000 0.289 20 Y C 2.702 178.632 175.900 0.048 0.000 1.146 20 Y CA -0.119 57.991 58.100 0.017 0.000 1.182 20 Y CB -1.256 37.256 38.460 0.086 0.000 0.983 20 Y HN 0.204 nan 8.280 nan 0.000 0.524 21 A N 0.084 123.035 122.820 0.218 0.000 1.858 21 A HA -0.200 4.298 4.320 0.297 0.000 0.216 21 A C 2.136 179.781 177.584 0.101 0.000 1.190 21 A CA 1.929 54.062 52.037 0.159 0.000 0.617 21 A CB -0.657 18.447 19.000 0.174 0.000 0.827 21 A HN 0.312 nan 8.150 nan 0.000 0.443 22 E N -0.031 120.205 120.200 0.061 0.000 2.085 22 E HA -0.134 4.394 4.350 0.297 0.000 0.194 22 E C 1.946 178.577 176.600 0.051 0.000 0.994 22 E CA 0.988 57.408 56.400 0.034 0.000 0.801 22 E CB -0.358 29.337 29.700 -0.007 0.000 0.743 22 E HN 0.615 nan 8.360 nan 0.000 0.453 23 L N -0.018 121.251 121.223 0.076 0.000 2.056 23 L HA -0.153 4.365 4.340 0.297 0.000 0.207 23 L C 2.649 179.575 176.870 0.094 0.000 1.078 23 L CA 1.223 56.122 54.840 0.098 0.000 0.749 23 L CB -0.292 41.865 42.059 0.164 0.000 0.901 23 L HN 0.110 nan 8.230 nan 0.000 0.433 24 R N 0.684 121.246 120.500 0.104 0.000 2.083 24 R HA -0.232 4.286 4.340 0.297 0.000 0.237 24 R C 2.197 178.537 176.300 0.067 0.000 1.137 24 R CA 2.148 58.299 56.100 0.086 0.000 0.951 24 R CB -0.216 30.140 30.300 0.094 0.000 0.851 24 R HN 0.579 nan 8.270 nan 0.000 0.434 25 E N -0.943 119.294 120.200 0.061 0.000 2.150 25 E HA -0.125 4.404 4.350 0.297 0.000 0.193 25 E C 1.460 178.085 176.600 0.042 0.000 0.985 25 E CA 1.565 57.992 56.400 0.047 0.000 0.814 25 E CB -0.204 29.520 29.700 0.041 0.000 0.752 25 E HN 0.245 nan 8.360 nan 0.000 0.466 26 T N 0.519 115.100 114.554 0.045 0.000 2.698 26 T HA 0.154 4.682 4.350 0.297 0.000 0.260 26 T C 0.650 175.378 174.700 0.047 0.000 1.044 26 T CA 1.257 63.381 62.100 0.041 0.000 1.149 26 T CB 0.063 68.955 68.868 0.040 0.000 0.864 26 T HN 0.377 nan 8.240 nan 0.000 0.419 27 A N 0.681 123.536 122.820 0.058 0.000 2.485 27 A HA 0.606 5.105 4.320 0.297 0.000 0.285 27 A C -2.548 175.081 177.584 0.075 0.000 1.045 27 A CA -1.138 50.939 52.037 0.067 0.000 0.792 27 A CB 1.294 20.340 19.000 0.076 0.000 1.307 27 A HN -0.011 nan 8.150 nan 0.000 0.406 28 P HA -0.004 nan 4.420 nan 0.000 0.222 28 P C 0.029 177.372 177.300 0.072 0.000 1.147 28 P CA 1.102 64.240 63.100 0.062 0.000 0.790 28 P CB 0.290 32.019 31.700 0.048 0.000 0.780 29 V N -0.381 119.596 119.914 0.106 0.000 2.380 29 V HA 0.306 4.604 4.120 0.297 0.000 0.286 29 V C -0.308 175.943 176.094 0.262 0.000 1.015 29 V CA -0.267 62.138 62.300 0.174 0.000 0.834 29 V CB 1.705 33.611 31.823 0.139 0.000 1.009 29 V HN -0.132 nan 8.190 nan 0.000 0.428 30 T N 6.955 121.640 114.554 0.218 0.000 2.893 30 T HA 0.531 5.059 4.350 0.297 0.000 0.293 30 T C -2.924 171.677 174.700 -0.165 0.000 1.027 30 T CA -1.408 60.738 62.100 0.077 0.000 0.988 30 T CB 2.623 71.513 68.868 0.037 0.000 1.043 30 T HN 0.394 nan 8.240 nan 0.000 0.461 31 P HA 0.416 nan 4.420 nan 0.000 0.275 31 P C -0.758 176.279 177.300 -0.439 0.000 1.228 31 P CA -0.348 62.179 63.100 -0.956 0.000 0.786 31 P CB 0.998 32.030 31.700 -1.113 0.000 0.927 32 V N 0.094 119.783 119.914 -0.376 0.000 3.202 32 V HA 0.699 4.997 4.120 0.297 0.000 0.306 32 V C -0.767 175.228 176.094 -0.165 0.000 1.283 32 V CA -1.153 61.018 62.300 -0.215 0.000 1.065 32 V CB 2.434 34.138 31.823 -0.200 0.000 1.079 32 V HN 0.325 nan 8.190 nan 0.000 0.448 33 R N 1.010 121.450 120.500 -0.101 0.000 2.599 33 R HA 0.752 5.270 4.340 0.297 0.000 0.295 33 R C -1.964 174.374 176.300 0.064 0.000 0.963 33 R CA -0.324 55.758 56.100 -0.030 0.000 0.883 33 R CB 2.009 32.294 30.300 -0.024 0.000 1.171 33 R HN 0.823 nan 8.270 nan 0.000 0.450 34 F N 3.377 123.255 119.950 -0.120 0.000 2.623 34 F HA 0.209 4.915 4.527 0.298 0.000 0.323 34 F C -0.305 175.447 175.800 -0.079 0.000 1.158 34 F CA -1.316 56.612 58.000 -0.120 0.000 1.030 34 F CB 0.775 39.686 39.000 -0.148 0.000 1.280 34 F HN 0.390 nan 8.300 nan 0.000 0.474 35 L N 5.488 126.505 121.223 -0.344 0.000 3.839 35 L HA -0.118 4.400 4.340 0.297 0.000 0.416 35 L C 1.203 177.956 176.870 -0.196 0.000 1.195 35 L CA 1.699 56.291 54.840 -0.413 0.000 0.946 35 L CB -1.645 39.970 42.059 -0.739 0.000 1.891 35 L HN 1.470 nan 8.230 nan 0.000 0.963 36 G N -1.857 106.885 108.800 -0.096 0.000 2.176 36 G HA2 -0.279 3.859 3.960 0.297 0.000 0.253 36 G HA3 -0.279 3.859 3.960 0.297 0.000 0.253 36 G C 0.248 175.125 174.900 -0.038 0.000 0.979 36 G CA 0.628 45.694 45.100 -0.056 0.000 0.641 36 G HN 0.916 nan 8.290 nan 0.000 0.530 37 Q N 0.144 119.921 119.800 -0.038 0.000 2.359 37 Q HA 0.681 5.199 4.340 0.297 0.000 0.275 37 Q C -1.481 174.519 176.000 0.000 0.000 1.082 37 Q CA -0.896 54.902 55.803 -0.008 0.000 0.849 37 Q CB 1.564 30.304 28.738 0.004 0.000 1.377 37 Q HN 0.198 nan 8.270 nan 0.000 0.452 38 D N 0.390 120.791 120.400 0.002 0.000 2.225 38 D HA 0.593 5.411 4.640 0.297 0.000 0.248 38 D C -0.987 175.298 176.300 -0.025 0.000 1.096 38 D CA 0.069 54.044 54.000 -0.042 0.000 0.863 38 D CB 1.555 42.327 40.800 -0.047 0.000 1.156 38 D HN 0.711 nan 8.370 nan 0.000 0.450 39 A N 2.168 124.927 122.820 -0.103 0.000 2.524 39 A HA 0.745 5.243 4.320 0.297 0.000 0.286 39 A C -1.830 175.614 177.584 -0.233 0.000 1.203 39 A CA -0.925 51.093 52.037 -0.031 0.000 0.736 39 A CB 0.998 20.024 19.000 0.042 0.000 1.322 39 A HN 0.566 nan 8.150 nan 0.000 0.424 40 W N -0.115 121.164 121.300 -0.036 0.000 2.538 40 W HA 0.594 5.431 4.660 0.296 0.000 0.322 40 W C -0.734 175.749 176.519 -0.060 0.000 1.028 40 W CA -0.188 57.130 57.345 -0.045 0.000 1.228 40 W CB 1.837 31.265 29.460 -0.053 0.000 1.356 40 W HN 0.505 nan 8.180 nan 0.000 0.452 41 L N 4.908 126.190 121.223 0.099 0.000 2.272 41 L HA 0.619 5.137 4.340 0.297 0.000 0.289 41 L C -0.726 176.180 176.870 0.059 0.000 1.032 41 L CA -0.623 54.235 54.840 0.031 0.000 0.810 41 L CB 1.032 43.080 42.059 -0.019 0.000 1.205 41 L HN 0.181 nan 8.230 nan 0.000 0.422 42 V N 4.914 124.837 119.914 0.014 0.000 2.318 42 V HA 0.276 4.574 4.120 0.297 0.000 0.271 42 V C 1.042 177.105 176.094 -0.051 0.000 1.030 42 V CA 0.277 62.579 62.300 0.003 0.000 0.844 42 V CB 0.767 32.583 31.823 -0.012 0.000 1.015 42 V HN 0.959 nan 8.190 nan 0.000 0.460 43 T N 0.828 115.363 114.554 -0.032 0.000 3.014 43 T HA 0.184 4.712 4.350 0.297 0.000 0.250 43 T C 0.995 175.698 174.700 0.005 0.000 1.060 43 T CA 0.457 62.519 62.100 -0.064 0.000 1.040 43 T CB 0.332 69.182 68.868 -0.029 0.000 0.971 43 T HN 0.678 nan 8.240 nan 0.000 0.497 44 G N -0.022 108.795 108.800 0.028 0.000 2.432 44 G HA2 0.388 4.527 3.960 0.297 0.000 0.257 44 G HA3 0.388 4.527 3.960 0.297 0.000 0.257 44 G C 0.133 175.075 174.900 0.070 0.000 1.238 44 G CA -0.608 44.531 45.100 0.065 0.000 0.838 44 G HN 0.204 nan 8.290 nan 0.000 0.547 45 Y N 1.091 121.412 120.300 0.035 0.000 2.070 45 Y HA -0.206 4.521 4.550 0.295 0.000 0.280 45 Y C 2.359 178.274 175.900 0.026 0.000 1.148 45 Y CA 2.487 60.616 58.100 0.048 0.000 1.125 45 Y CB 0.141 38.627 38.460 0.045 0.000 0.975 45 Y HN 0.525 nan 8.280 nan 0.000 0.492 46 D N -0.119 120.297 120.400 0.026 0.000 2.144 46 D HA -0.152 4.666 4.640 0.297 0.000 0.199 46 D C 1.908 178.146 176.300 -0.103 0.000 0.984 46 D CA 1.673 55.644 54.000 -0.048 0.000 0.834 46 D CB -0.124 40.709 40.800 0.054 0.000 0.955 46 D HN 0.479 nan 8.370 nan 0.000 0.465 47 E N 0.957 121.119 120.200 -0.063 0.000 2.072 47 E HA -0.061 4.468 4.350 0.297 0.000 0.191 47 E C 2.058 178.604 176.600 -0.091 0.000 0.985 47 E CA 1.060 57.424 56.400 -0.060 0.000 0.801 47 E CB -0.319 29.365 29.700 -0.025 0.000 0.750 47 E HN 0.215 nan 8.360 nan 0.000 0.452 48 A N 0.989 123.737 122.820 -0.120 0.000 1.877 48 A HA -0.227 4.271 4.320 0.297 0.000 0.216 48 A C 2.092 179.581 177.584 -0.159 0.000 1.186 48 A CA 1.785 53.746 52.037 -0.126 0.000 0.620 48 A CB -0.437 18.489 19.000 -0.123 0.000 0.822 48 A HN 0.135 nan 8.150 nan 0.000 0.443 49 K N -0.388 119.846 120.400 -0.276 0.000 2.057 49 K HA -0.081 4.418 4.320 0.297 0.000 0.207 49 K C 2.149 178.677 176.600 -0.121 0.000 1.049 49 K CA 1.152 57.295 56.287 -0.240 0.000 0.931 49 K CB -0.302 31.964 32.500 -0.390 0.000 0.714 49 K HN 0.381 nan 8.250 nan 0.000 0.440 50 A N 0.992 123.746 122.820 -0.110 0.000 1.902 50 A HA -0.102 4.396 4.320 0.297 0.000 0.217 50 A C 2.310 179.860 177.584 -0.057 0.000 1.181 50 A CA 1.840 53.835 52.037 -0.069 0.000 0.623 50 A CB -0.790 18.171 19.000 -0.064 0.000 0.818 50 A HN 0.459 nan 8.150 nan 0.000 0.443 51 A N -0.298 122.483 122.820 -0.065 0.000 1.933 51 A HA -0.023 4.475 4.320 0.297 0.000 0.218 51 A C 2.127 179.693 177.584 -0.030 0.000 1.175 51 A CA 1.468 53.472 52.037 -0.055 0.000 0.628 51 A CB -0.580 18.384 19.000 -0.061 0.000 0.814 51 A HN 0.475 nan 8.150 nan 0.000 0.444 52 L N -0.376 120.834 121.223 -0.022 0.000 2.201 52 L HA -0.095 4.423 4.340 0.297 0.000 0.212 52 L C 2.315 179.206 176.870 0.034 0.000 1.105 52 L CA 1.264 56.114 54.840 0.016 0.000 0.775 52 L CB -0.220 41.856 42.059 0.028 0.000 0.913 52 L HN 0.294 nan 8.230 nan 0.000 0.440 53 S N -1.887 113.819 115.700 0.010 0.000 2.528 53 S HA -0.017 4.631 4.470 0.297 0.000 0.219 53 S C 0.597 175.201 174.600 0.007 0.000 0.985 53 S CA 0.051 58.259 58.200 0.013 0.000 0.914 53 S CB -0.116 63.084 63.200 -0.001 0.000 0.776 53 S HN 0.272 nan 8.310 nan 0.000 0.526 54 D N 1.612 122.010 120.400 -0.003 0.000 2.380 54 D HA 0.207 5.025 4.640 0.297 0.000 0.230 54 D C 0.688 176.992 176.300 0.007 0.000 1.154 54 D CA -0.152 53.841 54.000 -0.011 0.000 0.859 54 D CB 0.695 41.472 40.800 -0.037 0.000 1.045 54 D HN 0.156 nan 8.370 nan 0.000 0.495 55 L N 3.445 124.679 121.223 0.018 0.000 2.622 55 L HA 0.014 4.533 4.340 0.297 0.000 0.233 55 L C 2.191 179.085 176.870 0.041 0.000 1.156 55 L CA 0.330 55.194 54.840 0.041 0.000 0.866 55 L CB -0.003 42.082 42.059 0.044 0.000 0.980 55 L HN 0.206 nan 8.230 nan 0.000 0.448 56 R N -0.014 120.490 120.500 0.007 0.000 2.235 56 R HA 0.047 4.565 4.340 0.297 0.000 0.213 56 R C 0.415 176.705 176.300 -0.016 0.000 1.059 56 R CA 0.458 56.551 56.100 -0.011 0.000 0.997 56 R CB 0.009 30.275 30.300 -0.056 0.000 0.884 56 R HN 0.278 nan 8.270 nan 0.000 0.462 57 L N 1.744 122.963 121.223 -0.006 0.000 2.302 57 L HA 0.156 4.674 4.340 0.297 0.000 0.285 57 L C 0.338 177.263 176.870 0.092 0.000 1.090 57 L CA -0.381 54.461 54.840 0.003 0.000 0.866 57 L CB 1.269 43.312 42.059 -0.027 0.000 1.244 57 L HN 0.007 nan 8.230 nan 0.000 0.435 58 S N 1.305 117.113 115.700 0.180 0.000 2.593 58 S HA 0.160 4.809 4.470 0.297 0.000 0.269 58 S C 1.065 175.844 174.600 0.299 0.000 1.334 58 S CA -0.356 58.003 58.200 0.266 0.000 1.015 58 S CB 1.194 64.627 63.200 0.389 0.000 0.912 58 S HN 0.598 nan 8.310 nan 0.000 0.541 59 S N 1.093 116.949 115.700 0.259 0.000 2.559 59 S HA 0.200 4.848 4.470 0.297 0.000 0.226 59 S C -0.434 174.334 174.600 0.281 0.000 1.000 59 S CA -0.372 57.969 58.200 0.234 0.000 0.948 59 S CB 0.105 63.266 63.200 -0.065 0.000 0.870 59 S HN 0.762 nan 8.310 nan 0.000 0.497 60 D N 2.746 123.284 120.400 0.229 0.000 2.359 60 D HA 0.244 5.062 4.640 0.297 0.000 0.230 60 D C -1.676 174.528 176.300 -0.159 0.000 1.118 60 D CA -2.059 51.972 54.000 0.052 0.000 0.844 60 D CB 1.651 42.496 40.800 0.074 0.000 1.059 60 D HN 0.065 nan 8.370 nan 0.000 0.493 61 P HA 0.002 nan 4.420 nan 0.000 0.241 61 P C 0.470 177.486 177.300 -0.474 0.000 1.191 61 P CA 0.377 62.944 63.100 -0.888 0.000 0.771 61 P CB 0.481 31.457 31.700 -1.207 0.000 0.929 62 K N -0.035 120.177 120.400 -0.314 0.000 2.426 62 K HA 0.092 4.591 4.320 0.297 0.000 0.193 62 K C 0.797 177.273 176.600 -0.206 0.000 1.028 62 K CA 0.182 56.327 56.287 -0.238 0.000 1.047 62 K CB 0.130 32.520 32.500 -0.184 0.000 0.821 62 K HN 0.195 nan 8.250 nan 0.000 0.513 63 K N 1.901 122.183 120.400 -0.197 0.000 2.350 63 K HA 0.113 4.612 4.320 0.297 0.000 0.279 63 K C -0.104 176.254 176.600 -0.403 0.000 1.027 63 K CA 0.135 56.256 56.287 -0.277 0.000 0.969 63 K CB 0.660 33.024 32.500 -0.226 0.000 0.954 63 K HN -0.160 nan 8.250 nan 0.000 0.474 64 K N 3.022 123.137 120.400 -0.476 0.000 2.182 64 K HA 0.323 4.821 4.320 0.297 0.000 0.262 64 K C -0.873 175.400 176.600 -0.546 0.000 0.957 64 K CA -0.548 55.515 56.287 -0.374 0.000 0.842 64 K CB 1.155 33.529 32.500 -0.211 0.000 1.099 64 K HN 0.418 nan 8.250 nan 0.000 0.438 65 Y N 0.583 120.852 120.300 -0.053 0.000 2.570 65 Y HA 0.296 5.024 4.550 0.297 0.000 0.345 65 Y C -2.064 173.768 175.900 -0.112 0.000 1.014 65 Y CA -2.625 55.449 58.100 -0.044 0.000 1.063 65 Y CB 1.011 39.422 38.460 -0.082 0.000 1.272 65 Y HN 0.424 nan 8.280 nan 0.000 0.477 66 P HA 0.123 nan 4.420 nan 0.000 0.261 66 P C 0.507 177.785 177.300 -0.037 0.000 1.203 66 P CA 1.132 64.250 63.100 0.030 0.000 0.767 66 P CB 0.135 31.888 31.700 0.087 0.000 0.785 67 G N 2.108 110.890 108.800 -0.030 0.000 2.258 67 G HA2 -0.211 3.928 3.960 0.297 0.000 0.274 67 G HA3 -0.211 3.928 3.960 0.297 0.000 0.274 67 G C 0.079 174.935 174.900 -0.072 0.000 1.021 67 G CA -0.041 45.037 45.100 -0.036 0.000 0.798 67 G HN 0.509 nan 8.290 nan 0.000 0.507 68 V N -0.004 119.847 119.914 -0.105 0.000 2.555 68 V HA 0.566 4.864 4.120 0.297 0.000 0.302 68 V C -0.279 175.786 176.094 -0.049 0.000 1.038 68 V CA -1.029 61.200 62.300 -0.120 0.000 0.887 68 V CB 2.047 33.688 31.823 -0.303 0.000 0.991 68 V HN 0.236 nan 8.190 nan 0.000 0.434 69 E N 3.098 123.282 120.200 -0.027 0.000 2.121 69 E HA 0.294 4.823 4.350 0.297 0.000 0.255 69 E C -0.830 175.745 176.600 -0.041 0.000 0.906 69 E CA -0.388 55.992 56.400 -0.033 0.000 0.745 69 E CB 1.841 31.530 29.700 -0.017 0.000 1.155 69 E HN 0.437 nan 8.360 nan 0.000 0.424 70 V N 2.897 122.741 119.914 -0.118 0.000 2.485 70 V HA 0.002 4.301 4.120 0.297 0.000 0.287 70 V C 0.491 176.536 176.094 -0.081 0.000 1.022 70 V CA 0.276 62.439 62.300 -0.229 0.000 1.067 70 V CB 0.477 32.044 31.823 -0.425 0.000 0.967 70 V HN 0.485 nan 8.190 nan 0.000 0.479 71 E N 4.944 125.184 120.200 0.065 0.000 2.373 71 E HA 0.416 4.944 4.350 0.297 0.000 0.251 71 E C -1.272 175.518 176.600 0.316 0.000 0.923 71 E CA -0.489 55.989 56.400 0.131 0.000 0.798 71 E CB 0.537 30.273 29.700 0.059 0.000 1.303 71 E HN 0.358 nan 8.360 nan 0.000 0.412 72 F N 5.327 125.300 119.950 0.038 0.000 2.438 72 F HA 0.274 4.979 4.527 0.297 0.000 0.356 72 F C -1.068 174.690 175.800 -0.069 0.000 1.099 72 F CA -2.505 55.521 58.000 0.043 0.000 1.185 72 F CB 0.935 40.022 39.000 0.145 0.000 1.115 72 F HN 0.419 nan 8.300 nan 0.000 0.526 73 P HA -0.187 nan 4.420 nan 0.000 0.221 73 P C 1.025 178.184 177.300 -0.235 0.000 1.145 73 P CA 1.401 64.408 63.100 -0.156 0.000 0.795 73 P CB 0.082 31.655 31.700 -0.210 0.000 0.775 74 A N -1.441 121.201 122.820 -0.296 0.000 2.168 74 A HA -0.097 4.402 4.320 0.297 0.000 0.215 74 A C 1.043 178.065 177.584 -0.938 0.000 1.152 74 A CA 0.669 52.389 52.037 -0.528 0.000 0.716 74 A CB -1.215 17.451 19.000 -0.558 0.000 0.794 74 A HN 0.147 nan 8.150 nan 0.000 0.465 75 Y N -0.458 119.540 120.300 -0.503 0.000 2.683 75 Y HA 0.319 5.048 4.550 0.299 0.000 0.297 75 Y C 0.602 176.109 175.900 -0.656 0.000 1.147 75 Y CA -1.158 56.349 58.100 -0.987 0.000 1.274 75 Y CB -0.113 37.992 38.460 -0.590 0.000 1.143 75 Y HN 0.165 nan 8.280 nan 0.000 0.527 76 L N 1.211 122.217 121.223 -0.361 0.000 2.700 76 L HA 0.069 4.587 4.340 0.297 0.000 0.272 76 L C 1.144 178.027 176.870 0.022 0.000 1.176 76 L CA 1.649 56.399 54.840 -0.150 0.000 0.961 76 L CB -0.072 41.889 42.059 -0.164 0.000 1.249 76 L HN 0.738 nan 8.230 nan 0.000 0.487 77 G N 3.845 112.693 108.800 0.080 0.000 2.176 77 G HA2 -0.301 3.838 3.960 0.297 0.000 0.253 77 G HA3 -0.301 3.838 3.960 0.297 0.000 0.253 77 G C 0.015 175.081 174.900 0.278 0.000 0.979 77 G CA -0.197 44.996 45.100 0.155 0.000 0.641 77 G HN 0.493 nan 8.290 nan 0.000 0.530 78 F N 1.982 121.903 119.950 -0.049 0.000 2.438 78 F HA 0.503 5.208 4.527 0.296 0.000 0.356 78 F C -1.238 174.526 175.800 -0.060 0.000 1.099 78 F CA -2.904 55.052 58.000 -0.073 0.000 1.185 78 F CB 0.611 39.557 39.000 -0.091 0.000 1.115 78 F HN -0.119 nan 8.300 nan 0.000 0.526 79 P HA 0.064 nan 4.420 nan 0.000 0.272 79 P C 0.899 178.217 177.300 0.031 0.000 1.230 79 P CA -0.245 62.875 63.100 0.034 0.000 0.788 79 P CB 0.696 32.396 31.700 0.001 0.000 0.949 80 E N 1.284 121.481 120.200 -0.006 0.000 2.085 80 E HA -0.277 4.252 4.350 0.297 0.000 0.194 80 E C 1.274 177.846 176.600 -0.046 0.000 0.994 80 E CA 1.637 58.012 56.400 -0.041 0.000 0.801 80 E CB -0.165 29.499 29.700 -0.060 0.000 0.743 80 E HN 0.524 nan 8.360 nan 0.000 0.453 81 D N 0.548 120.935 120.400 -0.022 0.000 2.117 81 D HA -0.186 4.632 4.640 0.297 0.000 0.197 81 D C 2.147 178.489 176.300 0.071 0.000 0.987 81 D CA 1.914 55.903 54.000 -0.019 0.000 0.829 81 D CB -0.768 40.047 40.800 0.025 0.000 0.961 81 D HN 0.338 nan 8.370 nan 0.000 0.460 82 V N -0.895 119.099 119.914 0.134 0.000 2.453 82 V HA -0.048 4.250 4.120 0.297 0.000 0.247 82 V C 2.624 178.894 176.094 0.294 0.000 1.048 82 V CA 1.115 63.567 62.300 0.254 0.000 1.049 82 V CB -0.644 31.214 31.823 0.059 0.000 0.672 82 V HN 0.019 nan 8.190 nan 0.000 0.457 83 R N 1.529 122.117 120.500 0.147 0.000 2.083 83 R HA -0.209 4.310 4.340 0.297 0.000 0.237 83 R C 2.022 178.294 176.300 -0.048 0.000 1.137 83 R CA 2.640 58.755 56.100 0.026 0.000 0.951 83 R CB -1.233 28.979 30.300 -0.146 0.000 0.851 83 R HN 0.770 nan 8.270 nan 0.000 0.434 84 N N -0.813 117.838 118.700 -0.082 0.000 2.289 84 N HA -0.187 4.732 4.740 0.297 0.000 0.184 84 N C 1.388 176.853 175.510 -0.076 0.000 1.016 84 N CA 1.095 54.055 53.050 -0.150 0.000 0.872 84 N CB -0.153 38.187 38.487 -0.245 0.000 0.973 84 N HN 0.226 nan 8.380 nan 0.000 0.433 85 Y N -0.605 119.753 120.300 0.098 0.000 2.395 85 Y HA -0.011 4.717 4.550 0.297 0.000 0.293 85 Y C 1.370 177.346 175.900 0.126 0.000 1.123 85 Y CA 0.680 58.840 58.100 0.100 0.000 1.227 85 Y CB -0.110 38.413 38.460 0.105 0.000 1.012 85 Y HN 0.044 nan 8.280 nan 0.000 0.552 86 F N -1.361 118.711 119.950 0.204 0.000 2.615 86 F HA 0.197 4.902 4.527 0.296 0.000 0.297 86 F C 1.789 177.680 175.800 0.151 0.000 1.124 86 F CA 0.601 58.742 58.000 0.234 0.000 1.451 86 F CB -0.075 39.183 39.000 0.430 0.000 1.103 86 F HN -0.101 nan 8.300 nan 0.000 0.569 87 A N -0.742 122.182 122.820 0.173 0.000 2.793 87 A HA 0.421 4.919 4.320 0.297 0.000 0.301 87 A C 0.280 177.875 177.584 0.018 0.000 1.172 87 A CA -0.030 52.034 52.037 0.045 0.000 0.973 87 A CB -0.732 18.155 19.000 -0.187 0.000 1.164 87 A HN 0.040 nan 8.150 nan 0.000 0.542 88 T N 1.673 116.259 114.554 0.053 0.000 3.630 88 T HA 0.258 4.786 4.350 0.297 0.000 0.238 88 T C -0.249 174.491 174.700 0.066 0.000 1.195 88 T CA -0.641 61.480 62.100 0.036 0.000 1.433 88 T CB -0.625 68.243 68.868 0.001 0.000 0.940 88 T HN 0.758 nan 8.240 nan 0.000 0.641 89 N N 0.277 119.035 118.700 0.097 0.000 2.902 89 N HA 0.287 5.205 4.740 0.297 0.000 0.268 89 N C 1.382 176.994 175.510 0.170 0.000 1.450 89 N CA -1.022 52.095 53.050 0.112 0.000 0.819 89 N CB 1.026 39.575 38.487 0.103 0.000 1.540 89 N HN -0.083 nan 8.380 nan 0.000 0.545 90 M N -0.693 119.025 119.600 0.197 0.000 2.144 90 M HA -0.017 4.642 4.480 0.297 0.000 0.260 90 M C 1.619 178.218 176.300 0.498 0.000 1.067 90 M CA 2.305 57.812 55.300 0.346 0.000 1.095 90 M CB -2.028 30.729 32.600 0.262 0.000 1.365 90 M HN 0.722 nan 8.290 nan 0.000 0.406 91 G N 0.692 109.694 108.800 0.336 0.000 2.598 91 G HA2 -0.053 4.085 3.960 0.297 0.000 0.215 91 G HA3 -0.053 4.085 3.960 0.297 0.000 0.215 91 G C 0.927 175.900 174.900 0.123 0.000 1.131 91 G CA 1.101 46.339 45.100 0.230 0.000 0.785 91 G HN 0.699 nan 8.290 nan 0.000 0.539 92 T N -2.489 112.177 114.554 0.187 0.000 3.355 92 T HA 0.588 5.117 4.350 0.297 0.000 0.276 92 T C 0.045 174.830 174.700 0.142 0.000 1.003 92 T CA -0.436 61.751 62.100 0.145 0.000 0.943 92 T CB 0.760 69.705 68.868 0.128 0.000 1.158 92 T HN -0.023 nan 8.240 nan 0.000 0.513 93 S N 0.893 116.731 115.700 0.230 0.000 2.595 93 S HA 0.696 5.344 4.470 0.297 0.000 0.281 93 S C -1.424 173.345 174.600 0.281 0.000 1.117 93 S CA -0.877 57.460 58.200 0.229 0.000 0.873 93 S CB 1.960 65.309 63.200 0.248 0.000 1.108 93 S HN 0.360 nan 8.310 nan 0.000 0.477 94 D N 1.063 121.592 120.400 0.214 0.000 2.374 94 D HA 0.523 5.341 4.640 0.297 0.000 0.239 94 D C -2.714 173.692 176.300 0.178 0.000 0.991 94 D CA -1.682 52.433 54.000 0.190 0.000 0.960 94 D CB 1.170 42.068 40.800 0.162 0.000 1.284 94 D HN 0.103 nan 8.370 nan 0.000 0.512 95 P HA 0.124 nan 4.420 nan 0.000 0.269 95 P C -1.633 175.725 177.300 0.097 0.000 1.215 95 P CA -0.709 62.471 63.100 0.133 0.000 0.780 95 P CB 0.257 32.018 31.700 0.101 0.000 0.898 96 P HA -0.012 nan 4.420 nan 0.000 0.251 96 P C 0.821 178.162 177.300 0.068 0.000 1.223 96 P CA 0.779 63.919 63.100 0.067 0.000 0.796 96 P CB -0.003 31.723 31.700 0.043 0.000 1.068 97 T N -0.241 114.363 114.554 0.083 0.000 2.746 97 T HA -0.184 4.344 4.350 0.297 0.000 0.267 97 T C 1.753 176.511 174.700 0.095 0.000 1.039 97 T CA 1.840 63.986 62.100 0.077 0.000 1.142 97 T CB -0.900 68.016 68.868 0.079 0.000 0.866 97 T HN 0.345 nan 8.240 nan 0.000 0.444 98 H N 1.287 120.388 119.070 0.051 0.000 2.319 98 H HA -0.091 4.643 4.556 0.296 0.000 0.299 98 H C 2.140 177.479 175.328 0.017 0.000 1.092 98 H CA 2.157 58.233 56.048 0.046 0.000 1.302 98 H CB -0.649 29.126 29.762 0.022 0.000 1.373 98 H HN 0.224 nan 8.280 nan 0.000 0.497 99 T N 1.294 115.807 114.554 -0.068 0.000 2.635 99 T HA -0.264 4.264 4.350 0.297 0.000 0.267 99 T C 1.984 176.614 174.700 -0.117 0.000 1.040 99 T CA 2.214 64.247 62.100 -0.112 0.000 1.156 99 T CB -0.273 68.596 68.868 0.002 0.000 0.863 99 T HN 0.625 nan 8.240 nan 0.000 0.430 100 R N 1.281 121.747 120.500 -0.057 0.000 2.090 100 R HA 0.135 4.654 4.340 0.297 0.000 0.228 100 R C 2.446 178.715 176.300 -0.050 0.000 1.110 100 R CA 0.919 56.995 56.100 -0.040 0.000 0.973 100 R CB -0.865 29.428 30.300 -0.013 0.000 0.869 100 R HN 0.293 nan 8.270 nan 0.000 0.440 101 L N 0.837 122.025 121.223 -0.059 0.000 1.994 101 L HA -0.113 4.406 4.340 0.297 0.000 0.208 101 L C 3.089 179.918 176.870 -0.067 0.000 1.071 101 L CA 1.772 56.587 54.840 -0.041 0.000 0.745 101 L CB -0.467 41.587 42.059 -0.009 0.000 0.892 101 L HN 0.254 nan 8.230 nan 0.000 0.431 102 R N 0.565 120.959 120.500 -0.178 0.000 2.096 102 R HA -0.233 4.285 4.340 0.297 0.000 0.235 102 R C 2.341 178.597 176.300 -0.074 0.000 1.127 102 R CA 1.712 57.718 56.100 -0.157 0.000 0.968 102 R CB -0.029 30.058 30.300 -0.355 0.000 0.861 102 R HN 0.080 nan 8.270 nan 0.000 0.440 103 K N 0.725 121.077 120.400 -0.080 0.000 2.002 103 K HA -0.111 4.387 4.320 0.297 0.000 0.209 103 K C 1.918 178.512 176.600 -0.010 0.000 1.048 103 K CA 1.520 57.784 56.287 -0.037 0.000 0.930 103 K CB -0.480 31.998 32.500 -0.035 0.000 0.714 103 K HN 0.128 nan 8.250 nan 0.000 0.438 104 L N 0.604 121.822 121.223 -0.008 0.000 2.012 104 L HA -0.158 4.360 4.340 0.297 0.000 0.210 104 L C 2.448 179.334 176.870 0.027 0.000 1.073 104 L CA 1.517 56.362 54.840 0.008 0.000 0.748 104 L CB -0.995 41.067 42.059 0.005 0.000 0.891 104 L HN 0.124 nan 8.230 nan 0.000 0.431 105 V N -0.759 119.177 119.914 0.036 0.000 2.358 105 V HA -0.220 4.078 4.120 0.297 0.000 0.246 105 V C 2.595 178.759 176.094 0.116 0.000 1.047 105 V CA 1.645 63.990 62.300 0.076 0.000 1.035 105 V CB -0.507 31.369 31.823 0.088 0.000 0.658 105 V HN 0.379 nan 8.190 nan 0.000 0.452 106 S N -0.631 115.119 115.700 0.083 0.000 2.419 106 S HA -0.275 4.373 4.470 0.297 0.000 0.235 106 S C 1.962 176.595 174.600 0.055 0.000 1.019 106 S CA 1.366 59.606 58.200 0.067 0.000 0.982 106 S CB -0.336 62.879 63.200 0.024 0.000 0.789 106 S HN 0.659 nan 8.310 nan 0.000 0.490 107 Q N -0.035 119.794 119.800 0.047 0.000 2.170 107 Q HA -0.108 4.410 4.340 0.297 0.000 0.203 107 Q C 1.751 177.784 176.000 0.054 0.000 0.976 107 Q CA 0.938 56.764 55.803 0.038 0.000 0.858 107 Q CB 0.048 28.803 28.738 0.028 0.000 0.907 107 Q HN 0.477 nan 8.270 nan 0.000 0.433 108 E N -0.738 119.513 120.200 0.085 0.000 2.256 108 E HA 0.013 4.541 4.350 0.297 0.000 0.198 108 E C 0.002 176.717 176.600 0.191 0.000 0.908 108 E CA -0.011 56.453 56.400 0.106 0.000 0.915 108 E CB 0.131 29.881 29.700 0.083 0.000 0.890 108 E HN 0.095 nan 8.360 nan 0.000 0.484 109 F N 4.352 124.310 119.950 0.013 0.000 2.619 109 F HA 0.142 4.845 4.527 0.295 0.000 0.350 109 F C 0.246 176.056 175.800 0.017 0.000 1.259 109 F CA -0.549 57.461 58.000 0.017 0.000 1.204 109 F CB -0.746 38.266 39.000 0.021 0.000 1.556 109 F HN -0.228 nan 8.300 nan 0.000 0.650 110 T N 0.096 114.671 114.554 0.036 0.000 2.937 110 T HA 0.416 4.944 4.350 0.297 0.000 0.283 110 T C 1.109 175.732 174.700 -0.128 0.000 1.012 110 T CA -0.673 61.381 62.100 -0.077 0.000 0.997 110 T CB 1.490 70.354 68.868 -0.007 0.000 1.136 110 T HN 0.028 nan 8.240 nan 0.000 0.551 111 V N 0.749 120.595 119.914 -0.113 0.000 2.548 111 V HA -0.043 4.255 4.120 0.297 0.000 0.249 111 V C 2.952 179.026 176.094 -0.035 0.000 1.055 111 V CA 1.837 64.083 62.300 -0.091 0.000 1.065 111 V CB -1.001 30.778 31.823 -0.072 0.000 0.681 111 V HN 0.912 nan 8.190 nan 0.000 0.462 112 R N 0.451 120.942 120.500 -0.015 0.000 2.073 112 R HA -0.194 4.324 4.340 0.297 0.000 0.234 112 R C 2.526 178.841 176.300 0.025 0.000 1.134 112 R CA 1.932 58.036 56.100 0.007 0.000 0.952 112 R CB -0.303 30.003 30.300 0.011 0.000 0.850 112 R HN 0.406 nan 8.270 nan 0.000 0.433 113 R N 0.105 120.630 120.500 0.041 0.000 2.096 113 R HA -0.092 4.426 4.340 0.297 0.000 0.235 113 R C 1.990 178.343 176.300 0.088 0.000 1.127 113 R CA 1.565 57.711 56.100 0.077 0.000 0.968 113 R CB -0.071 30.305 30.300 0.126 0.000 0.861 113 R HN 0.168 nan 8.270 nan 0.000 0.440 114 V N 1.111 121.067 119.914 0.070 0.000 2.379 114 V HA -0.155 4.143 4.120 0.297 0.000 0.245 114 V C 2.230 178.356 176.094 0.053 0.000 1.044 114 V CA 1.611 63.956 62.300 0.075 0.000 1.036 114 V CB -0.348 31.485 31.823 0.016 0.000 0.664 114 V HN 0.307 nan 8.190 nan 0.000 0.453 115 E N 0.494 120.713 120.200 0.032 0.000 2.153 115 E HA -0.139 4.389 4.350 0.297 0.000 0.194 115 E C 2.256 178.878 176.600 0.037 0.000 0.988 115 E CA 1.398 57.816 56.400 0.030 0.000 0.811 115 E CB -0.437 29.274 29.700 0.019 0.000 0.746 115 E HN 0.557 nan 8.360 nan 0.000 0.466 116 A N 0.185 123.029 122.820 0.040 0.000 2.172 116 A HA -0.072 4.426 4.320 0.297 0.000 0.216 116 A C 1.950 179.562 177.584 0.046 0.000 1.154 116 A CA 0.788 52.849 52.037 0.040 0.000 0.701 116 A CB -0.213 18.811 19.000 0.040 0.000 0.789 116 A HN 0.104 nan 8.150 nan 0.000 0.465 117 M N -1.467 118.167 119.600 0.055 0.000 2.510 117 M HA 0.088 4.746 4.480 0.297 0.000 0.256 117 M C 1.950 178.284 176.300 0.056 0.000 1.132 117 M CA 0.467 55.803 55.300 0.060 0.000 1.105 117 M CB -0.715 31.931 32.600 0.076 0.000 1.375 117 M HN 0.607 nan 8.290 nan 0.000 0.477 118 R N 1.666 122.197 120.500 0.053 0.000 2.115 118 R HA -0.173 4.345 4.340 0.297 0.000 0.239 118 R C -0.793 175.538 176.300 0.050 0.000 1.133 118 R CA 2.169 58.300 56.100 0.053 0.000 0.935 118 R CB -1.298 29.030 30.300 0.048 0.000 0.853 118 R HN 0.170 nan 8.270 nan 0.000 0.433 119 P HA -0.176 nan 4.420 nan 0.000 0.218 119 P C 0.737 178.063 177.300 0.044 0.000 1.148 119 P CA 1.279 64.403 63.100 0.041 0.000 0.822 119 P CB -0.152 31.569 31.700 0.035 0.000 0.784 120 R N -0.008 120.519 120.500 0.045 0.000 2.066 120 R HA -0.028 4.490 4.340 0.297 0.000 0.232 120 R C 2.400 178.731 176.300 0.052 0.000 1.131 120 R CA 0.830 56.957 56.100 0.045 0.000 0.955 120 R CB -1.678 28.649 30.300 0.044 0.000 0.851 120 R HN 0.141 nan 8.270 nan 0.000 0.432 121 V N 1.060 121.008 119.914 0.057 0.000 2.332 121 V HA -0.227 4.071 4.120 0.297 0.000 0.248 121 V C 2.197 178.335 176.094 0.073 0.000 1.055 121 V CA 1.849 64.187 62.300 0.063 0.000 1.038 121 V CB -0.451 31.412 31.823 0.067 0.000 0.651 121 V HN 0.347 nan 8.190 nan 0.000 0.450 122 E N -0.517 119.725 120.200 0.070 0.000 2.110 122 E HA -0.267 4.262 4.350 0.297 0.000 0.193 122 E C 2.336 178.978 176.600 0.070 0.000 0.988 122 E CA 1.269 57.714 56.400 0.074 0.000 0.804 122 E CB -0.080 29.657 29.700 0.061 0.000 0.745 122 E HN 0.645 nan 8.360 nan 0.000 0.458 123 Q N 0.369 120.204 119.800 0.059 0.000 2.079 123 Q HA -0.155 4.363 4.340 0.297 0.000 0.200 123 Q C 2.115 178.152 176.000 0.063 0.000 0.974 123 Q CA 1.147 56.982 55.803 0.053 0.000 0.840 123 Q CB 0.032 28.796 28.738 0.043 0.000 0.898 123 Q HN 0.309 nan 8.270 nan 0.000 0.430 124 I N 0.219 120.830 120.570 0.068 0.000 2.286 124 I HA -0.263 4.086 4.170 0.297 0.000 0.248 124 I C 2.162 178.351 176.117 0.119 0.000 1.115 124 I CA 1.310 62.656 61.300 0.076 0.000 1.392 124 I CB -0.327 37.709 38.000 0.060 0.000 1.065 124 I HN 0.249 nan 8.210 nan 0.000 0.418 125 T N 0.870 115.512 114.554 0.147 0.000 2.684 125 T HA -0.192 4.336 4.350 0.297 0.000 0.267 125 T C 2.105 176.932 174.700 0.212 0.000 1.036 125 T CA 1.523 63.781 62.100 0.263 0.000 1.148 125 T CB -0.394 68.626 68.868 0.253 0.000 0.863 125 T HN 0.481 nan 8.240 nan 0.000 0.436 126 A N 1.716 124.605 122.820 0.116 0.000 1.883 126 A HA -0.197 4.301 4.320 0.297 0.000 0.217 126 A C 2.218 179.837 177.584 0.058 0.000 1.186 126 A CA 1.923 53.995 52.037 0.059 0.000 0.624 126 A CB -0.683 18.340 19.000 0.038 0.000 0.822 126 A HN 0.607 nan 8.150 nan 0.000 0.444 127 E N -0.192 120.051 120.200 0.071 0.000 2.058 127 E HA -0.184 4.344 4.350 0.297 0.000 0.194 127 E C 2.004 178.654 176.600 0.084 0.000 0.997 127 E CA 1.344 57.782 56.400 0.064 0.000 0.801 127 E CB -0.368 29.367 29.700 0.059 0.000 0.746 127 E HN 0.626 nan 8.360 nan 0.000 0.450 128 L N 0.669 121.972 121.223 0.134 0.000 2.042 128 L HA -0.216 4.302 4.340 0.297 0.000 0.210 128 L C 2.492 179.441 176.870 0.131 0.000 1.076 128 L CA 0.937 55.882 54.840 0.174 0.000 0.749 128 L CB -0.361 41.894 42.059 0.325 0.000 0.893 128 L HN 0.180 nan 8.230 nan 0.000 0.432 129 L N -0.740 120.533 121.223 0.083 0.000 2.201 129 L HA -0.190 4.328 4.340 0.297 0.000 0.212 129 L C 2.127 179.031 176.870 0.056 0.000 1.105 129 L CA 0.719 55.566 54.840 0.013 0.000 0.775 129 L CB -0.500 41.503 42.059 -0.094 0.000 0.913 129 L HN 0.266 nan 8.230 nan 0.000 0.440 130 D N 0.276 120.700 120.400 0.040 0.000 2.117 130 D HA -0.177 4.641 4.640 0.297 0.000 0.197 130 D C 2.039 178.367 176.300 0.047 0.000 0.987 130 D CA 1.181 55.201 54.000 0.034 0.000 0.829 130 D CB 0.068 40.883 40.800 0.025 0.000 0.961 130 D HN 0.379 nan 8.370 nan 0.000 0.460 131 E N 0.061 120.291 120.200 0.050 0.000 2.274 131 E HA -0.086 4.442 4.350 0.297 0.000 0.194 131 E C 2.170 178.792 176.600 0.037 0.000 0.996 131 E CA 0.400 56.826 56.400 0.042 0.000 0.840 131 E CB 0.262 29.988 29.700 0.043 0.000 0.772 131 E HN 0.248 nan 8.360 nan 0.000 0.491 132 V N -2.453 117.488 119.914 0.045 0.000 3.041 132 V HA 0.199 4.497 4.120 0.297 0.000 0.260 132 V C 1.054 177.151 176.094 0.005 0.000 1.105 132 V CA 0.761 63.067 62.300 0.009 0.000 1.125 132 V CB -0.765 31.038 31.823 -0.033 0.000 0.730 132 V HN 0.294 nan 8.190 nan 0.000 0.479 133 G N 1.750 110.583 108.800 0.056 0.000 2.482 133 G HA2 -0.146 3.993 3.960 0.297 0.000 0.214 133 G HA3 -0.146 3.993 3.960 0.297 0.000 0.214 133 G C -0.253 174.729 174.900 0.138 0.000 1.271 133 G CA 0.508 45.643 45.100 0.059 0.000 0.944 133 G HN 1.210 nan 8.290 nan 0.000 0.568 134 D N -1.469 118.992 120.400 0.103 0.000 2.704 134 D HA 0.467 5.285 4.640 0.297 0.000 0.291 134 D C 0.117 176.459 176.300 0.071 0.000 1.610 134 D CA 0.962 55.076 54.000 0.189 0.000 0.807 134 D CB 0.003 40.910 40.800 0.179 0.000 1.233 134 D HN 1.378 nan 8.370 nan 0.000 0.445 135 S N -1.287 114.407 115.700 -0.011 0.000 2.552 135 S HA 0.781 5.429 4.470 0.297 0.000 0.272 135 S C 0.343 174.906 174.600 -0.062 0.000 1.150 135 S CA -0.428 57.754 58.200 -0.031 0.000 0.849 135 S CB 1.637 64.834 63.200 -0.005 0.000 1.113 135 S HN 1.102 nan 8.310 nan 0.000 0.458 136 G N 0.066 108.827 108.800 -0.064 0.000 2.660 136 G HA2 0.077 4.215 3.960 0.297 0.000 0.215 136 G HA3 0.077 4.215 3.960 0.297 0.000 0.215 136 G C -0.949 173.894 174.900 -0.094 0.000 1.345 136 G CA -0.434 44.627 45.100 -0.065 0.000 0.877 136 G HN 1.672 nan 8.290 nan 0.000 0.549 137 V N 0.456 120.324 119.914 -0.076 0.000 2.532 137 V HA 0.736 5.034 4.120 0.297 0.000 0.295 137 V C 0.890 176.933 176.094 -0.085 0.000 1.041 137 V CA 0.261 62.511 62.300 -0.084 0.000 0.926 137 V CB 1.040 32.832 31.823 -0.052 0.000 0.992 137 V HN 1.830 nan 8.190 nan 0.000 0.457 138 V N 0.438 120.288 119.914 -0.108 0.000 3.114 138 V HA 0.643 4.941 4.120 0.297 0.000 0.308 138 V C -1.010 175.030 176.094 -0.091 0.000 1.168 138 V CA -0.938 61.308 62.300 -0.089 0.000 1.015 138 V CB 2.239 33.992 31.823 -0.117 0.000 1.050 138 V HN 0.695 nan 8.190 nan 0.000 0.433 139 D N 1.464 121.834 120.400 -0.050 0.000 2.411 139 D HA 0.307 5.126 4.640 0.297 0.000 0.225 139 D C 0.668 176.948 176.300 -0.033 0.000 1.156 139 D CA -0.285 53.678 54.000 -0.062 0.000 0.874 139 D CB 1.182 42.007 40.800 0.041 0.000 1.034 139 D HN 0.588 nan 8.370 nan 0.000 0.502 140 I N 4.140 124.677 120.570 -0.054 0.000 2.700 140 I HA -0.196 4.152 4.170 0.297 0.000 0.261 140 I C 1.751 177.935 176.117 0.112 0.000 1.219 140 I CA 0.882 62.198 61.300 0.028 0.000 1.463 140 I CB 0.246 38.246 38.000 0.000 0.000 1.092 140 I HN 0.322 nan 8.210 nan 0.000 0.452 141 V N -0.094 119.852 119.914 0.053 0.000 2.273 141 V HA -0.228 4.070 4.120 0.297 0.000 0.242 141 V C 2.180 178.338 176.094 0.107 0.000 1.035 141 V CA 2.039 64.390 62.300 0.084 0.000 1.013 141 V CB -0.710 31.140 31.823 0.046 0.000 0.652 141 V HN 0.389 nan 8.190 nan 0.000 0.452 142 D N -0.036 120.397 120.400 0.055 0.000 2.117 142 D HA -0.167 4.651 4.640 0.297 0.000 0.197 142 D C 2.261 178.606 176.300 0.074 0.000 0.987 142 D CA 1.119 55.133 54.000 0.024 0.000 0.829 142 D CB 0.016 40.816 40.800 -0.000 0.000 0.961 142 D HN 0.117 nan 8.370 nan 0.000 0.460 143 R N -1.217 119.338 120.500 0.092 0.000 2.240 143 R HA 0.089 4.607 4.340 0.297 0.000 0.203 143 R C 1.029 177.474 176.300 0.242 0.000 1.011 143 R CA 0.369 56.541 56.100 0.120 0.000 1.007 143 R CB -0.123 30.220 30.300 0.071 0.000 0.911 143 R HN 0.338 nan 8.270 nan 0.000 0.468 144 F N -0.921 119.055 119.950 0.045 0.000 1.832 144 F HA 0.309 5.006 4.527 0.283 0.000 0.236 144 F C 1.738 177.586 175.800 0.080 0.000 1.180 144 F CA 0.411 58.444 58.000 0.055 0.000 1.297 144 F CB -0.734 38.287 39.000 0.035 0.000 1.748 144 F HN -0.146 nan 8.300 nan 0.000 0.453 145 A N 0.273 123.078 122.820 -0.025 0.000 1.948 145 A HA -0.247 4.251 4.320 0.297 0.000 0.220 145 A C 2.273 179.836 177.584 -0.035 0.000 1.177 145 A CA 2.282 54.244 52.037 -0.125 0.000 0.636 145 A CB -1.447 17.584 19.000 0.052 0.000 0.815 145 A HN 0.733 nan 8.150 nan 0.000 0.449 146 H N -0.079 118.977 119.070 -0.023 0.000 2.294 146 H HA -0.002 4.731 4.556 0.295 0.000 0.306 146 H C -0.657 174.661 175.328 -0.018 0.000 1.065 146 H CA 1.707 57.768 56.048 0.022 0.000 1.343 146 H CB -0.737 29.049 29.762 0.041 0.000 1.396 146 H HN 0.286 nan 8.280 nan 0.000 0.506 147 P HA -0.142 nan 4.420 nan 0.000 0.216 147 P C 2.193 179.446 177.300 -0.078 0.000 1.150 147 P CA 0.839 63.937 63.100 -0.002 0.000 0.837 147 P CB -0.028 31.709 31.700 0.061 0.000 0.786 148 L N -0.428 120.724 121.223 -0.118 0.000 1.956 148 L HA -0.147 4.372 4.340 0.297 0.000 0.216 148 L C -0.603 176.215 176.870 -0.086 0.000 1.073 148 L CA 2.893 57.652 54.840 -0.135 0.000 0.762 148 L CB -1.864 40.004 42.059 -0.319 0.000 0.889 148 L HN 0.043 nan 8.230 nan 0.000 0.433 149 P HA -0.170 nan 4.420 nan 0.000 0.216 149 P C 1.822 179.119 177.300 -0.006 0.000 1.150 149 P CA 1.518 64.623 63.100 0.008 0.000 0.837 149 P CB 0.025 31.770 31.700 0.076 0.000 0.786 150 I N -0.667 119.815 120.570 -0.148 0.000 2.202 150 I HA -0.244 4.105 4.170 0.297 0.000 0.242 150 I C 2.145 178.209 176.117 -0.089 0.000 1.091 150 I CA 1.607 62.748 61.300 -0.265 0.000 1.368 150 I CB -0.515 37.222 38.000 -0.438 0.000 1.058 150 I HN -0.043 nan 8.210 nan 0.000 0.410 151 K N 0.454 120.821 120.400 -0.055 0.000 2.057 151 K HA -0.115 4.384 4.320 0.297 0.000 0.207 151 K C 2.064 178.672 176.600 0.012 0.000 1.049 151 K CA 1.154 57.436 56.287 -0.009 0.000 0.931 151 K CB -0.167 32.331 32.500 -0.002 0.000 0.714 151 K HN 0.127 nan 8.250 nan 0.000 0.440 152 V N 1.389 121.310 119.914 0.013 0.000 2.261 152 V HA -0.248 4.050 4.120 0.297 0.000 0.246 152 V C 2.167 178.284 176.094 0.039 0.000 1.047 152 V CA 1.572 63.893 62.300 0.034 0.000 1.015 152 V CB -0.348 31.502 31.823 0.045 0.000 0.642 152 V HN 0.254 nan 8.190 nan 0.000 0.446 153 I N -0.426 120.166 120.570 0.037 0.000 2.361 153 I HA -0.203 4.145 4.170 0.297 0.000 0.251 153 I C 2.324 178.452 176.117 0.017 0.000 1.133 153 I CA 1.347 62.665 61.300 0.030 0.000 1.413 153 I CB -0.460 37.576 38.000 0.060 0.000 1.073 153 I HN 0.329 nan 8.210 nan 0.000 0.424 154 C N 0.210 119.530 119.300 0.033 0.000 2.440 154 C HA -0.114 4.524 4.460 0.297 0.000 0.278 154 C C 2.580 177.602 174.990 0.052 0.000 1.295 154 C CA 0.766 59.827 59.018 0.070 0.000 1.738 154 C CB -1.094 26.716 27.740 0.116 0.000 1.987 154 C HN 0.507 nan 8.230 nan 0.000 0.492 155 E N 0.113 120.337 120.200 0.040 0.000 2.107 155 E HA -0.119 4.409 4.350 0.297 0.000 0.191 155 E C 2.198 178.815 176.600 0.028 0.000 0.982 155 E CA 0.573 56.994 56.400 0.035 0.000 0.809 155 E CB -0.240 29.481 29.700 0.036 0.000 0.756 155 E HN 0.571 nan 8.360 nan 0.000 0.459 156 L N 0.640 121.877 121.223 0.023 0.000 2.083 156 L HA -0.155 4.363 4.340 0.297 0.000 0.209 156 L C 1.825 178.686 176.870 -0.016 0.000 1.083 156 L CA 1.047 55.894 54.840 0.010 0.000 0.752 156 L CB 0.042 42.101 42.059 0.001 0.000 0.899 156 L HN 0.197 nan 8.230 nan 0.000 0.433 157 L N -0.408 120.805 121.223 -0.017 0.000 2.567 157 L HA 0.245 4.763 4.340 0.297 0.000 0.225 157 L C 1.452 178.320 176.870 -0.004 0.000 1.119 157 L CA 1.073 55.898 54.840 -0.025 0.000 0.871 157 L CB -0.341 41.701 42.059 -0.028 0.000 1.036 157 L HN 0.412 nan 8.230 nan 0.000 0.459 158 G N -0.563 108.244 108.800 0.013 0.000 2.136 158 G HA2 -0.229 3.909 3.960 0.297 0.000 0.242 158 G HA3 -0.229 3.909 3.960 0.297 0.000 0.242 158 G C 0.249 175.169 174.900 0.032 0.000 0.989 158 G CA 0.210 45.319 45.100 0.016 0.000 0.682 158 G HN 0.104 nan 8.290 nan 0.000 0.522 159 V N 2.039 121.995 119.914 0.070 0.000 2.427 159 V HA 0.265 4.563 4.120 0.297 0.000 0.268 159 V C 0.670 176.837 176.094 0.121 0.000 1.046 159 V CA -0.577 61.805 62.300 0.137 0.000 0.970 159 V CB 0.972 32.959 31.823 0.273 0.000 1.001 159 V HN 0.334 nan 8.190 nan 0.000 0.476 160 D N 3.257 123.714 120.400 0.096 0.000 2.411 160 D HA 0.080 4.898 4.640 0.297 0.000 0.251 160 D C 1.125 177.466 176.300 0.069 0.000 1.201 160 D CA -0.363 53.677 54.000 0.066 0.000 0.996 160 D CB 1.338 42.163 40.800 0.041 0.000 1.101 160 D HN 0.669 nan 8.370 nan 0.000 0.504 161 E N 0.596 120.817 120.200 0.034 0.000 2.035 161 E HA -0.226 4.302 4.350 0.297 0.000 0.204 161 E C 0.531 177.130 176.600 -0.001 0.000 1.025 161 E CA 1.076 57.481 56.400 0.008 0.000 0.835 161 E CB -0.059 29.641 29.700 -0.000 0.000 0.764 161 E HN 0.455 nan 8.360 nan 0.000 0.457 162 A N -0.449 122.380 122.820 0.015 0.000 3.030 162 A HA 0.403 4.901 4.320 0.297 0.000 0.273 162 A C 0.410 178.037 177.584 0.070 0.000 1.841 162 A CA 0.855 52.903 52.037 0.018 0.000 1.479 162 A CB -0.561 18.452 19.000 0.021 0.000 1.048 162 A HN 0.443 nan 8.150 nan 0.000 0.612 163 A N 1.486 124.342 122.820 0.059 0.000 2.011 163 A HA 0.147 4.646 4.320 0.297 0.000 0.183 163 A C 0.840 178.352 177.584 -0.120 0.000 2.000 163 A CA -0.208 51.964 52.037 0.225 0.000 1.623 163 A CB -0.186 19.103 19.000 0.482 0.000 1.510 163 A HN 0.549 nan 8.150 nan 0.000 0.297 164 R N -0.233 120.139 120.500 -0.213 0.000 2.863 164 R HA 0.405 4.923 4.340 0.297 0.000 0.273 164 R C 1.571 177.357 176.300 -0.857 0.000 1.057 164 R CA 0.900 56.605 56.100 -0.658 0.000 1.191 164 R CB -0.009 30.141 30.300 -0.250 0.000 1.104 164 R HN 1.397 nan 8.270 nan 0.000 0.519 165 G N -0.044 108.107 108.800 -1.082 0.000 2.990 165 G HA2 -0.468 3.670 3.960 0.297 0.000 0.225 165 G HA3 -0.468 3.670 3.960 0.297 0.000 0.225 165 G C 1.134 175.532 174.900 -0.837 0.000 1.304 165 G CA 0.851 45.526 45.100 -0.708 0.000 0.816 165 G HN 0.734 nan 8.290 nan 0.000 0.528 166 A N 1.009 123.265 122.820 -0.941 0.000 1.859 166 A HA 0.151 4.649 4.320 0.297 0.000 0.218 166 A C 2.284 178.913 177.584 -1.591 0.000 1.209 166 A CA 3.393 54.770 52.037 -1.099 0.000 0.639 166 A CB -1.052 17.372 19.000 -0.959 0.000 0.835 166 A HN 1.565 nan 8.150 nan 0.000 0.450 167 F N 0.540 119.686 119.950 -1.340 0.000 2.287 167 F HA 0.046 4.751 4.527 0.296 0.000 0.301 167 F C 2.011 177.609 175.800 -0.338 0.000 1.069 167 F CA 0.361 57.871 58.000 -0.818 0.000 1.372 167 F CB -1.702 37.075 39.000 -0.370 0.000 1.056 167 F HN 0.120 nan 8.300 nan 0.000 0.523 168 G N 1.685 110.369 108.800 -0.192 0.000 2.446 168 G HA2 -0.318 3.820 3.960 0.297 0.000 0.217 168 G HA3 -0.318 3.820 3.960 0.297 0.000 0.217 168 G C 1.807 176.744 174.900 0.062 0.000 1.168 168 G CA 1.220 46.379 45.100 0.098 0.000 0.771 168 G HN 0.571 nan 8.290 nan 0.000 0.551 169 R N -1.299 119.083 120.500 -0.196 0.000 2.115 169 R HA -0.030 4.488 4.340 0.297 0.000 0.230 169 R C 2.232 178.574 176.300 0.069 0.000 1.111 169 R CA 1.350 57.384 56.100 -0.110 0.000 0.976 169 R CB -0.510 29.671 30.300 -0.199 0.000 0.870 169 R HN 0.415 nan 8.270 nan 0.000 0.445 170 W N 1.280 122.642 121.300 0.103 0.000 2.354 170 W HA 0.040 4.878 4.660 0.297 0.000 0.315 170 W C 2.604 179.216 176.519 0.155 0.000 1.206 170 W CA 0.656 58.068 57.345 0.111 0.000 1.290 170 W CB -1.377 28.151 29.460 0.113 0.000 1.152 170 W HN 0.194 nan 8.180 nan 0.000 0.489 171 S N 0.122 116.095 115.700 0.456 0.000 2.387 171 S HA -0.176 4.473 4.470 0.297 0.000 0.230 171 S C 2.094 176.851 174.600 0.262 0.000 1.035 171 S CA 1.899 60.317 58.200 0.363 0.000 1.014 171 S CB -0.373 63.085 63.200 0.429 0.000 0.836 171 S HN 0.133 nan 8.310 nan 0.000 0.466 172 S N 1.032 116.875 115.700 0.237 0.000 2.359 172 S HA -0.102 4.546 4.470 0.297 0.000 0.224 172 S C 1.890 176.575 174.600 0.142 0.000 1.035 172 S CA 1.061 59.360 58.200 0.165 0.000 1.018 172 S CB -0.436 62.836 63.200 0.120 0.000 0.876 172 S HN 0.496 nan 8.310 nan 0.000 0.448 173 E N 0.978 121.274 120.200 0.160 0.000 2.085 173 E HA -0.088 4.440 4.350 0.297 0.000 0.194 173 E C 1.999 178.686 176.600 0.145 0.000 0.994 173 E CA 0.860 57.342 56.400 0.138 0.000 0.801 173 E CB -0.359 29.430 29.700 0.149 0.000 0.743 173 E HN 0.535 nan 8.360 nan 0.000 0.453 174 I N 0.853 121.538 120.570 0.192 0.000 2.493 174 I HA -0.234 4.114 4.170 0.297 0.000 0.254 174 I C 2.285 178.491 176.117 0.148 0.000 1.160 174 I CA 0.558 61.989 61.300 0.218 0.000 1.445 174 I CB -0.212 37.972 38.000 0.308 0.000 1.086 174 I HN 0.053 nan 8.210 nan 0.000 0.433 175 L N 0.203 121.499 121.223 0.122 0.000 2.275 175 L HA -0.044 4.474 4.340 0.297 0.000 0.215 175 L C 0.669 177.571 176.870 0.054 0.000 1.119 175 L CA 0.506 55.394 54.840 0.079 0.000 0.790 175 L CB -0.246 41.859 42.059 0.077 0.000 0.919 175 L HN 0.017 nan 8.230 nan 0.000 0.443 176 V N 0.048 119.995 119.914 0.054 0.000 2.547 176 V HA 0.256 4.554 4.120 0.297 0.000 0.299 176 V C 0.049 176.159 176.094 0.027 0.000 1.040 176 V CA -0.343 61.976 62.300 0.031 0.000 0.913 176 V CB 1.886 33.718 31.823 0.016 0.000 0.992 176 V HN 0.106 nan 8.190 nan 0.000 0.449 177 M N 3.834 123.447 119.600 0.022 0.000 2.325 177 M HA 0.358 5.017 4.480 0.297 0.000 0.305 177 M C -0.951 175.334 176.300 -0.024 0.000 1.047 177 M CA -0.192 55.099 55.300 -0.016 0.000 0.981 177 M CB 0.607 33.182 32.600 -0.042 0.000 1.307 177 M HN 0.596 nan 8.290 nan 0.000 0.418 178 D N 2.593 122.981 120.400 -0.020 0.000 2.414 178 D HA 0.343 5.162 4.640 0.297 0.000 0.232 178 D C -1.978 174.304 176.300 -0.029 0.000 1.070 178 D CA -2.084 51.903 54.000 -0.022 0.000 0.839 178 D CB 2.011 42.803 40.800 -0.014 0.000 1.079 178 D HN 0.090 nan 8.370 nan 0.000 0.521 179 P HA -0.164 nan 4.420 nan 0.000 0.217 179 P C 0.762 178.047 177.300 -0.024 0.000 1.148 179 P CA 1.172 64.244 63.100 -0.046 0.000 0.834 179 P CB 0.352 32.019 31.700 -0.055 0.000 0.783 180 E N -0.561 119.628 120.200 -0.017 0.000 2.077 180 E HA -0.142 4.386 4.350 0.297 0.000 0.193 180 E C 1.352 177.950 176.600 -0.004 0.000 0.989 180 E CA 0.869 57.263 56.400 -0.009 0.000 0.800 180 E CB -0.252 29.443 29.700 -0.008 0.000 0.746 180 E HN 0.301 nan 8.360 nan 0.000 0.452 181 R N 0.164 120.664 120.500 -0.000 0.000 2.568 181 R HA 0.268 4.787 4.340 0.297 0.000 0.288 181 R C 1.455 177.765 176.300 0.017 0.000 1.077 181 R CA 0.059 56.164 56.100 0.010 0.000 1.102 181 R CB 0.482 30.791 30.300 0.015 0.000 1.278 181 R HN 0.064 nan 8.270 nan 0.000 0.560 182 A N 2.086 124.912 122.820 0.011 0.000 1.908 182 A HA -0.258 4.241 4.320 0.297 0.000 0.218 182 A C 2.107 179.711 177.584 0.033 0.000 1.181 182 A CA 1.755 53.805 52.037 0.022 0.000 0.627 182 A CB -0.165 18.838 19.000 0.005 0.000 0.818 182 A HN 0.574 nan 8.150 nan 0.000 0.445 183 E N -0.710 119.500 120.200 0.017 0.000 2.107 183 E HA -0.225 4.303 4.350 0.297 0.000 0.191 183 E C 1.885 178.488 176.600 0.004 0.000 0.982 183 E CA 1.240 57.645 56.400 0.009 0.000 0.809 183 E CB -0.386 29.315 29.700 0.002 0.000 0.756 183 E HN 0.596 nan 8.360 nan 0.000 0.459 184 Q N 0.781 120.589 119.800 0.013 0.000 2.124 184 Q HA -0.069 4.449 4.340 0.297 0.000 0.202 184 Q C 2.154 178.166 176.000 0.020 0.000 0.977 184 Q CA 1.657 57.471 55.803 0.018 0.000 0.850 184 Q CB -0.194 28.562 28.738 0.029 0.000 0.901 184 Q HN 0.247 nan 8.270 nan 0.000 0.429 185 R N -0.260 120.264 120.500 0.040 0.000 2.073 185 R HA -0.111 4.407 4.340 0.297 0.000 0.234 185 R C 2.196 178.487 176.300 -0.016 0.000 1.134 185 R CA 1.512 57.655 56.100 0.072 0.000 0.952 185 R CB -0.609 29.773 30.300 0.136 0.000 0.850 185 R HN 0.412 nan 8.270 nan 0.000 0.433 186 G N -0.190 108.600 108.800 -0.016 0.000 2.432 186 G HA2 -0.298 3.840 3.960 0.297 0.000 0.219 186 G HA3 -0.298 3.840 3.960 0.297 0.000 0.219 186 G C 1.300 176.071 174.900 -0.215 0.000 1.135 186 G CA 0.523 45.535 45.100 -0.147 0.000 0.767 186 G HN 0.330 nan 8.290 nan 0.000 0.550 187 Q N 0.209 119.935 119.800 -0.123 0.000 2.046 187 Q HA 0.171 4.690 4.340 0.297 0.000 0.200 187 Q C 2.870 178.760 176.000 -0.185 0.000 0.975 187 Q CA 1.655 57.385 55.803 -0.122 0.000 0.836 187 Q CB -0.407 28.297 28.738 -0.056 0.000 0.896 187 Q HN 0.385 nan 8.270 nan 0.000 0.428 188 A N 0.259 122.996 122.820 -0.137 0.000 1.940 188 A HA -0.155 4.343 4.320 0.297 0.000 0.219 188 A C 2.229 179.650 177.584 -0.271 0.000 1.176 188 A CA 1.781 53.729 52.037 -0.149 0.000 0.631 188 A CB -1.092 17.957 19.000 0.081 0.000 0.814 188 A HN 0.466 nan 8.150 nan 0.000 0.446 189 A N -0.305 122.315 122.820 -0.332 0.000 1.908 189 A HA -0.198 4.300 4.320 0.297 0.000 0.218 189 A C 2.252 179.686 177.584 -0.249 0.000 1.181 189 A CA 1.846 53.616 52.037 -0.445 0.000 0.627 189 A CB -0.497 17.667 19.000 -1.394 0.000 0.818 189 A HN 0.559 nan 8.150 nan 0.000 0.445 190 R N -0.493 119.830 120.500 -0.294 0.000 2.120 190 R HA -0.126 4.392 4.340 0.297 0.000 0.234 190 R C 1.931 178.060 176.300 -0.284 0.000 1.123 190 R CA 1.413 57.387 56.100 -0.210 0.000 0.975 190 R CB -0.151 30.044 30.300 -0.174 0.000 0.866 190 R HN 0.537 nan 8.270 nan 0.000 0.446 191 E N 0.245 120.154 120.200 -0.485 0.000 2.051 191 E HA -0.174 4.354 4.350 0.297 0.000 0.192 191 E C 2.097 178.169 176.600 -0.881 0.000 0.991 191 E CA 1.708 57.596 56.400 -0.854 0.000 0.799 191 E CB -0.399 28.337 29.700 -1.606 0.000 0.748 191 E HN 0.389 nan 8.360 nan 0.000 0.449 192 V N -0.552 118.976 119.914 -0.642 0.000 2.407 192 V HA -0.174 4.125 4.120 0.297 0.000 0.248 192 V C 2.396 178.470 176.094 -0.034 0.000 1.055 192 V CA 1.465 63.673 62.300 -0.153 0.000 1.049 192 V CB -0.825 31.081 31.823 0.138 0.000 0.662 192 V HN 0.001 nan 8.190 nan 0.000 0.455 193 V N 1.833 121.694 119.914 -0.088 0.000 2.343 193 V HA -0.275 4.023 4.120 0.297 0.000 0.247 193 V C 2.527 178.503 176.094 -0.196 0.000 1.051 193 V CA 2.790 64.996 62.300 -0.157 0.000 1.036 193 V CB -1.321 30.431 31.823 -0.119 0.000 0.654 193 V HN 0.674 nan 8.190 nan 0.000 0.451 194 N N -0.488 118.120 118.700 -0.153 0.000 2.106 194 N HA -0.188 4.730 4.740 0.297 0.000 0.188 194 N C 1.861 177.354 175.510 -0.029 0.000 1.029 194 N CA 1.465 54.449 53.050 -0.110 0.000 0.848 194 N CB -0.278 38.151 38.487 -0.097 0.000 1.007 194 N HN 0.488 nan 8.380 nan 0.000 0.423 195 F N 2.114 122.005 119.950 -0.098 0.000 2.091 195 F HA -0.188 4.517 4.527 0.298 0.000 0.299 195 F C 1.963 177.775 175.800 0.021 0.000 1.103 195 F CA 1.251 59.281 58.000 0.051 0.000 1.228 195 F CB -0.129 39.023 39.000 0.253 0.000 0.984 195 F HN -0.018 nan 8.300 nan 0.000 0.477 196 I N 0.355 120.930 120.570 0.009 0.000 2.252 196 I HA -0.267 4.081 4.170 0.297 0.000 0.245 196 I C 2.499 178.496 176.117 -0.200 0.000 1.102 196 I CA 1.251 62.476 61.300 -0.126 0.000 1.385 196 I CB -1.380 36.578 38.000 -0.069 0.000 1.064 196 I HN 0.279 nan 8.210 nan 0.000 0.414 197 L N 0.284 121.387 121.223 -0.201 0.000 2.079 197 L HA -0.256 4.263 4.340 0.297 0.000 0.210 197 L C 2.189 178.967 176.870 -0.153 0.000 1.081 197 L CA 1.385 56.113 54.840 -0.185 0.000 0.752 197 L CB -0.567 41.374 42.059 -0.197 0.000 0.896 197 L HN 0.207 nan 8.230 nan 0.000 0.433 198 D N -0.284 120.012 120.400 -0.173 0.000 2.097 198 D HA -0.167 4.651 4.640 0.297 0.000 0.197 198 D C 2.013 178.195 176.300 -0.198 0.000 0.984 198 D CA 0.879 54.782 54.000 -0.162 0.000 0.826 198 D CB -0.220 40.486 40.800 -0.156 0.000 0.973 198 D HN 0.076 nan 8.370 nan 0.000 0.460 199 L N 0.630 121.665 121.223 -0.313 0.000 1.990 199 L HA -0.192 4.326 4.340 0.297 0.000 0.213 199 L C 2.253 179.025 176.870 -0.163 0.000 1.072 199 L CA 1.476 56.141 54.840 -0.291 0.000 0.755 199 L CB -0.521 41.299 42.059 -0.398 0.000 0.889 199 L HN -0.084 nan 8.230 nan 0.000 0.432 200 V N -0.442 119.386 119.914 -0.143 0.000 2.343 200 V HA -0.317 3.981 4.120 0.297 0.000 0.247 200 V C 2.558 178.608 176.094 -0.072 0.000 1.051 200 V CA 2.044 64.289 62.300 -0.092 0.000 1.036 200 V CB -0.652 31.124 31.823 -0.079 0.000 0.654 200 V HN 0.604 nan 8.190 nan 0.000 0.451 201 E N 0.155 120.308 120.200 -0.078 0.000 2.051 201 E HA -0.218 4.310 4.350 0.297 0.000 0.192 201 E C 2.450 179.019 176.600 -0.051 0.000 0.991 201 E CA 1.227 57.593 56.400 -0.057 0.000 0.799 201 E CB -0.076 29.591 29.700 -0.055 0.000 0.748 201 E HN 0.495 nan 8.360 nan 0.000 0.449 202 R N -0.155 120.307 120.500 -0.063 0.000 2.152 202 R HA -0.079 4.440 4.340 0.297 0.000 0.232 202 R C 2.350 178.625 176.300 -0.043 0.000 1.117 202 R CA 0.957 57.027 56.100 -0.051 0.000 0.981 202 R CB -0.120 30.145 30.300 -0.059 0.000 0.870 202 R HN -0.036 nan 8.270 nan 0.000 0.451 203 R N 1.158 121.629 120.500 -0.049 0.000 2.148 203 R HA 0.025 4.543 4.340 0.297 0.000 0.223 203 R C 1.792 178.075 176.300 -0.028 0.000 1.088 203 R CA 1.287 57.364 56.100 -0.038 0.000 0.985 203 R CB -0.089 30.184 30.300 -0.044 0.000 0.880 203 R HN 0.111 nan 8.270 nan 0.000 0.451 204 R N -1.406 119.077 120.500 -0.028 0.000 2.148 204 R HA 0.029 4.547 4.340 0.297 0.000 0.223 204 R C 1.570 177.861 176.300 -0.016 0.000 1.088 204 R CA 1.595 57.682 56.100 -0.020 0.000 0.985 204 R CB 0.026 30.314 30.300 -0.020 0.000 0.880 204 R HN 0.170 nan 8.270 nan 0.000 0.451 205 T N 0.037 114.579 114.554 -0.019 0.000 2.901 205 T HA -0.026 4.502 4.350 0.297 0.000 0.252 205 T C 0.769 175.461 174.700 -0.012 0.000 1.035 205 T CA 0.758 62.849 62.100 -0.015 0.000 1.142 205 T CB 0.219 69.077 68.868 -0.017 0.000 0.869 205 T HN 0.006 nan 8.240 nan 0.000 0.442 206 E N 2.421 122.613 120.200 -0.014 0.000 2.546 206 E HA 0.235 4.763 4.350 0.297 0.000 0.227 206 E C -2.688 173.906 176.600 -0.010 0.000 1.009 206 E CA -2.455 53.939 56.400 -0.011 0.000 0.813 206 E CB 0.956 30.650 29.700 -0.010 0.000 1.269 206 E HN 0.266 nan 8.360 nan 0.000 0.432 207 P HA 0.224 nan 4.420 nan 0.000 0.271 207 P C 0.024 177.323 177.300 -0.002 0.000 1.218 207 P CA -0.023 63.073 63.100 -0.006 0.000 0.780 207 P CB 1.715 33.412 31.700 -0.004 0.000 0.901 208 G N 0.977 109.776 108.800 -0.001 0.000 3.166 208 G HA2 0.240 4.378 3.960 0.297 0.000 0.267 208 G HA3 0.240 4.378 3.960 0.297 0.000 0.267 208 G C -0.122 174.782 174.900 0.006 0.000 1.256 208 G CA -0.322 44.780 45.100 0.003 0.000 0.859 208 G HN 0.344 nan 8.290 nan 0.000 0.590 209 D N 0.613 121.019 120.400 0.010 0.000 2.354 209 D HA 0.053 4.871 4.640 0.297 0.000 0.209 209 D C 0.610 176.920 176.300 0.016 0.000 1.015 209 D CA 0.143 54.151 54.000 0.014 0.000 0.867 209 D CB 0.169 40.979 40.800 0.017 0.000 0.933 209 D HN 0.529 nan 8.370 nan 0.000 0.520 210 D N 0.934 121.340 120.400 0.012 0.000 2.341 210 D HA -0.121 4.697 4.640 0.297 0.000 0.235 210 D C 1.510 177.813 176.300 0.004 0.000 1.265 210 D CA -0.410 53.595 54.000 0.009 0.000 0.888 210 D CB 1.715 42.516 40.800 0.002 0.000 1.192 210 D HN -0.087 nan 8.370 nan 0.000 0.462 211 L N 0.720 121.940 121.223 -0.005 0.000 2.083 211 L HA -0.145 4.373 4.340 0.297 0.000 0.209 211 L C 2.224 179.078 176.870 -0.027 0.000 1.083 211 L CA 1.235 56.065 54.840 -0.016 0.000 0.752 211 L CB -0.951 41.069 42.059 -0.065 0.000 0.899 211 L HN 0.552 nan 8.230 nan 0.000 0.433 212 L N -1.156 120.046 121.223 -0.035 0.000 2.046 212 L HA -0.156 4.362 4.340 0.297 0.000 0.208 212 L C 2.484 179.341 176.870 -0.021 0.000 1.077 212 L CA 1.974 56.793 54.840 -0.035 0.000 0.747 212 L CB -0.851 41.184 42.059 -0.040 0.000 0.896 212 L HN 0.285 nan 8.230 nan 0.000 0.432 213 S N -0.229 115.463 115.700 -0.014 0.000 2.356 213 S HA -0.161 4.487 4.470 0.297 0.000 0.223 213 S C 2.102 176.701 174.600 -0.002 0.000 1.032 213 S CA 1.145 59.340 58.200 -0.008 0.000 1.005 213 S CB -0.644 62.554 63.200 -0.004 0.000 0.867 213 S HN 0.664 nan 8.310 nan 0.000 0.449 214 A N 1.420 124.242 122.820 0.003 0.000 1.908 214 A HA -0.017 4.482 4.320 0.297 0.000 0.218 214 A C 2.063 179.653 177.584 0.010 0.000 1.181 214 A CA 1.194 53.238 52.037 0.010 0.000 0.627 214 A CB -0.747 18.265 19.000 0.021 0.000 0.818 214 A HN 0.468 nan 8.150 nan 0.000 0.445 215 L N -0.597 120.629 121.223 0.004 0.000 2.275 215 L HA -0.093 4.425 4.340 0.297 0.000 0.215 215 L C 2.199 179.070 176.870 0.001 0.000 1.119 215 L CA 0.603 55.445 54.840 0.004 0.000 0.790 215 L CB -0.392 41.664 42.059 -0.005 0.000 0.919 215 L HN 0.399 nan 8.230 nan 0.000 0.443 216 I N -0.674 119.895 120.570 -0.003 0.000 2.439 216 I HA -0.198 4.151 4.170 0.297 0.000 0.251 216 I C 2.315 178.432 176.117 0.000 0.000 1.139 216 I CA 1.431 62.729 61.300 -0.003 0.000 1.438 216 I CB -0.065 37.931 38.000 -0.008 0.000 1.085 216 I HN 0.295 nan 8.210 nan 0.000 0.427 217 S N -0.592 115.109 115.700 0.002 0.000 2.524 217 S HA 0.145 4.793 4.470 0.297 0.000 0.215 217 S C 0.674 175.278 174.600 0.006 0.000 0.986 217 S CA -0.355 57.848 58.200 0.004 0.000 0.911 217 S CB -0.270 62.932 63.200 0.004 0.000 0.805 217 S HN 0.104 nan 8.310 nan 0.000 0.501 218 V N 3.361 123.280 119.914 0.008 0.000 2.673 218 V HA 0.300 4.599 4.120 0.297 0.000 0.303 218 V C -0.368 175.731 176.094 0.008 0.000 1.046 218 V CA 0.415 62.721 62.300 0.011 0.000 1.126 218 V CB 0.608 32.440 31.823 0.015 0.000 0.934 218 V HN 0.787 nan 8.190 nan 0.000 0.487 219 Q N 3.740 123.545 119.800 0.008 0.000 2.391 219 Q HA 0.591 5.109 4.340 0.297 0.000 0.279 219 Q C -1.751 174.252 176.000 0.005 0.000 1.028 219 Q CA -0.923 54.883 55.803 0.006 0.000 0.836 219 Q CB 2.173 30.914 28.738 0.005 0.000 1.414 219 Q HN 0.665 nan 8.270 nan 0.000 0.397 220 D N 0.556 120.958 120.400 0.004 0.000 2.649 220 D HA 0.197 5.015 4.640 0.297 0.000 0.249 220 D C 0.052 176.353 176.300 0.002 0.000 1.112 220 D CA -0.444 53.558 54.000 0.003 0.000 0.850 220 D CB 1.536 42.337 40.800 0.002 0.000 1.399 220 D HN 0.546 nan 8.370 nan 0.000 0.503 221 D N 2.210 122.611 120.400 0.002 0.000 2.170 221 D HA -0.186 4.633 4.640 0.297 0.000 0.193 221 D C 0.586 176.887 176.300 0.001 0.000 1.004 221 D CA 1.354 55.355 54.000 0.002 0.000 0.860 221 D CB 0.302 41.103 40.800 0.002 0.000 0.931 221 D HN 0.590 nan 8.370 nan 0.000 0.448 222 D N -0.373 120.028 120.400 0.001 0.000 2.355 222 D HA -0.021 4.797 4.640 0.297 0.000 0.206 222 D C 0.965 177.265 176.300 0.001 0.000 1.010 222 D CA 0.348 54.349 54.000 0.001 0.000 0.875 222 D CB 0.139 40.939 40.800 0.001 0.000 0.966 222 D HN 0.203 nan 8.370 nan 0.000 0.512 223 D N 0.183 120.583 120.400 0.000 0.000 2.379 223 D HA 0.189 5.007 4.640 0.297 0.000 0.208 223 D C 1.507 177.807 176.300 0.001 0.000 1.065 223 D CA 0.488 54.488 54.000 0.000 0.000 0.848 223 D CB 1.659 42.457 40.800 -0.003 0.000 0.949 223 D HN 0.170 nan 8.370 nan 0.000 0.509 224 G N 2.245 111.046 108.800 0.002 0.000 2.528 224 G HA2 -0.286 3.852 3.960 0.297 0.000 0.262 224 G HA3 -0.286 3.852 3.960 0.297 0.000 0.262 224 G C 0.074 174.976 174.900 0.003 0.000 1.200 224 G CA 0.260 45.361 45.100 0.002 0.000 0.951 224 G HN 0.473 nan 8.290 nan 0.000 0.566 225 R N -1.093 119.409 120.500 0.003 0.000 2.869 225 R HA 0.738 5.257 4.340 0.297 0.000 0.263 225 R C -0.413 175.890 176.300 0.005 0.000 1.066 225 R CA -1.176 54.926 56.100 0.004 0.000 0.960 225 R CB 0.812 31.115 30.300 0.004 0.000 1.221 225 R HN 0.633 nan 8.270 nan 0.000 0.474 226 L N 2.329 123.556 121.223 0.007 0.000 2.410 226 L HA 0.170 4.688 4.340 0.297 0.000 0.273 226 L C 0.827 177.702 176.870 0.009 0.000 1.152 226 L CA -0.371 54.475 54.840 0.009 0.000 0.855 226 L CB 1.110 43.175 42.059 0.010 0.000 1.129 226 L HN 0.847 nan 8.230 nan 0.000 0.463 227 S N 2.167 117.873 115.700 0.010 0.000 2.634 227 S HA 0.361 5.010 4.470 0.297 0.000 0.261 227 S C 1.170 175.781 174.600 0.017 0.000 1.271 227 S CA -0.200 58.005 58.200 0.010 0.000 0.985 227 S CB 1.487 64.690 63.200 0.006 0.000 0.968 227 S HN 0.679 nan 8.310 nan 0.000 0.568 228 A N 0.836 123.668 122.820 0.020 0.000 1.883 228 A HA -0.130 4.368 4.320 0.297 0.000 0.217 228 A C 1.662 179.282 177.584 0.059 0.000 1.186 228 A CA 2.126 54.182 52.037 0.032 0.000 0.624 228 A CB -1.552 17.468 19.000 0.033 0.000 0.822 228 A HN 0.934 nan 8.150 nan 0.000 0.444 229 D N -0.581 119.853 120.400 0.057 0.000 2.097 229 D HA -0.110 4.708 4.640 0.297 0.000 0.195 229 D C 2.010 178.354 176.300 0.074 0.000 0.989 229 D CA 1.526 55.574 54.000 0.079 0.000 0.827 229 D CB -0.187 40.611 40.800 -0.004 0.000 0.966 229 D HN 0.643 nan 8.370 nan 0.000 0.456 230 E N 0.388 120.612 120.200 0.040 0.000 2.058 230 E HA -0.164 4.364 4.350 0.297 0.000 0.194 230 E C 2.064 178.687 176.600 0.038 0.000 0.997 230 E CA 0.399 56.822 56.400 0.037 0.000 0.801 230 E CB -0.099 29.616 29.700 0.025 0.000 0.746 230 E HN 0.200 nan 8.360 nan 0.000 0.450 231 L N 1.241 122.482 121.223 0.031 0.000 2.042 231 L HA -0.171 4.347 4.340 0.297 0.000 0.210 231 L C 2.074 178.953 176.870 0.016 0.000 1.076 231 L CA 1.967 56.817 54.840 0.017 0.000 0.749 231 L CB -0.995 41.070 42.059 0.010 0.000 0.893 231 L HN 0.191 nan 8.230 nan 0.000 0.432 232 T N -1.003 113.575 114.554 0.040 0.000 2.777 232 T HA -0.153 4.375 4.350 0.297 0.000 0.266 232 T C 2.093 176.814 174.700 0.034 0.000 1.040 232 T CA 1.623 63.741 62.100 0.031 0.000 1.141 232 T CB -0.114 68.804 68.868 0.083 0.000 0.868 232 T HN 0.358 nan 8.240 nan 0.000 0.444 233 S N 0.388 116.140 115.700 0.088 0.000 2.371 233 S HA 0.035 4.683 4.470 0.297 0.000 0.224 233 S C 2.036 176.646 174.600 0.016 0.000 1.029 233 S CA 0.569 58.811 58.200 0.070 0.000 0.978 233 S CB -0.419 62.843 63.200 0.103 0.000 0.833 233 S HN 0.427 nan 8.310 nan 0.000 0.466 234 I N 1.645 122.228 120.570 0.021 0.000 2.226 234 I HA -0.165 4.183 4.170 0.297 0.000 0.245 234 I C 2.765 178.867 176.117 -0.025 0.000 1.100 234 I CA 1.102 62.408 61.300 0.010 0.000 1.374 234 I CB -0.528 37.480 38.000 0.014 0.000 1.057 234 I HN 0.342 nan 8.210 nan 0.000 0.413 235 A N 1.038 123.838 122.820 -0.034 0.000 1.883 235 A HA -0.218 4.280 4.320 0.297 0.000 0.217 235 A C 2.373 179.921 177.584 -0.061 0.000 1.186 235 A CA 1.517 53.523 52.037 -0.053 0.000 0.624 235 A CB -0.904 18.065 19.000 -0.051 0.000 0.822 235 A HN 0.437 nan 8.150 nan 0.000 0.444 236 L N -0.088 121.088 121.223 -0.079 0.000 2.012 236 L HA -0.121 4.397 4.340 0.297 0.000 0.210 236 L C 2.477 179.265 176.870 -0.136 0.000 1.073 236 L CA 2.552 57.312 54.840 -0.134 0.000 0.748 236 L CB -0.887 41.023 42.059 -0.248 0.000 0.891 236 L HN 0.287 nan 8.230 nan 0.000 0.431 237 V N 0.066 119.921 119.914 -0.099 0.000 2.548 237 V HA -0.234 4.064 4.120 0.297 0.000 0.249 237 V C 2.669 178.741 176.094 -0.037 0.000 1.055 237 V CA 1.259 63.530 62.300 -0.048 0.000 1.065 237 V CB -0.024 31.810 31.823 0.019 0.000 0.681 237 V HN 0.433 nan 8.190 nan 0.000 0.462 238 L N -0.850 120.341 121.223 -0.053 0.000 2.083 238 L HA -0.146 4.373 4.340 0.297 0.000 0.209 238 L C 2.425 179.255 176.870 -0.068 0.000 1.083 238 L CA 1.548 56.339 54.840 -0.082 0.000 0.752 238 L CB -0.565 41.406 42.059 -0.147 0.000 0.899 238 L HN 0.408 nan 8.230 nan 0.000 0.433 239 L N -0.400 120.788 121.223 -0.058 0.000 1.976 239 L HA -0.215 4.303 4.340 0.297 0.000 0.209 239 L C 2.313 179.194 176.870 0.019 0.000 1.071 239 L CA 1.834 56.650 54.840 -0.039 0.000 0.746 239 L CB -0.551 41.467 42.059 -0.069 0.000 0.890 239 L HN 0.015 nan 8.230 nan 0.000 0.432 240 L N 0.070 121.266 121.223 -0.044 0.000 1.994 240 L HA -0.088 4.430 4.340 0.297 0.000 0.208 240 L C 2.635 179.330 176.870 -0.292 0.000 1.071 240 L CA 2.171 56.921 54.840 -0.150 0.000 0.745 240 L CB -1.586 40.439 42.059 -0.057 0.000 0.892 240 L HN 0.386 nan 8.230 nan 0.000 0.431 241 A N -0.937 121.807 122.820 -0.125 0.000 2.066 241 A HA 0.014 4.513 4.320 0.297 0.000 0.218 241 A C 2.302 179.848 177.584 -0.064 0.000 1.157 241 A CA 1.189 53.174 52.037 -0.087 0.000 0.670 241 A CB -1.109 17.892 19.000 0.002 0.000 0.804 241 A HN 0.449 nan 8.150 nan 0.000 0.453 242 G N -0.872 107.907 108.800 -0.034 0.000 2.471 242 G HA2 -0.004 4.134 3.960 0.297 0.000 0.219 242 G HA3 -0.004 4.134 3.960 0.297 0.000 0.219 242 G C 1.130 176.097 174.900 0.111 0.000 1.125 242 G CA 1.337 46.463 45.100 0.044 0.000 0.775 242 G HN 0.839 nan 8.290 nan 0.000 0.548 243 F N -1.585 118.348 119.950 -0.029 0.000 2.658 243 F HA 0.472 5.175 4.527 0.294 0.000 0.293 243 F C 1.933 177.721 175.800 -0.019 0.000 0.986 243 F CA 0.137 58.114 58.000 -0.040 0.000 1.182 243 F CB 0.160 39.106 39.000 -0.090 0.000 0.965 243 F HN -0.112 nan 8.300 nan 0.000 0.659 244 E N 2.036 121.738 120.200 -0.830 0.000 2.049 244 E HA -0.192 4.336 4.350 0.297 0.000 0.198 244 E C 2.381 178.910 176.600 -0.118 0.000 1.007 244 E CA 1.737 57.854 56.400 -0.471 0.000 0.809 244 E CB -0.762 28.638 29.700 -0.500 0.000 0.749 244 E HN 0.533 nan 8.360 nan 0.000 0.450 245 A N 0.728 123.500 122.820 -0.079 0.000 1.969 245 A HA -0.101 4.397 4.320 0.297 0.000 0.218 245 A C 2.451 180.067 177.584 0.053 0.000 1.169 245 A CA 1.569 53.611 52.037 0.009 0.000 0.635 245 A CB -0.303 18.715 19.000 0.031 0.000 0.810 245 A HN 0.160 nan 8.150 nan 0.000 0.445 246 S N -0.442 115.296 115.700 0.063 0.000 2.406 246 S HA -0.087 4.562 4.470 0.297 0.000 0.228 246 S C 1.846 176.493 174.600 0.078 0.000 1.020 246 S CA 1.220 59.474 58.200 0.089 0.000 0.965 246 S CB -0.299 62.961 63.200 0.099 0.000 0.798 246 S HN 0.356 nan 8.310 nan 0.000 0.488 247 V N 1.789 121.754 119.914 0.084 0.000 2.295 247 V HA -0.160 4.138 4.120 0.297 0.000 0.246 247 V C 2.412 178.566 176.094 0.100 0.000 1.049 247 V CA 1.893 64.250 62.300 0.095 0.000 1.024 247 V CB -0.944 30.972 31.823 0.155 0.000 0.648 247 V HN 0.426 nan 8.190 nan 0.000 0.447 248 S N 0.246 116.006 115.700 0.100 0.000 2.368 248 S HA -0.198 4.451 4.470 0.297 0.000 0.225 248 S C 1.904 176.581 174.600 0.127 0.000 1.030 248 S CA 1.853 60.123 58.200 0.117 0.000 0.999 248 S CB -0.489 62.780 63.200 0.114 0.000 0.844 248 S HN 0.477 nan 8.310 nan 0.000 0.459 249 L N 2.099 123.388 121.223 0.110 0.000 1.989 249 L HA -0.072 4.446 4.340 0.297 0.000 0.211 249 L C 1.935 178.889 176.870 0.140 0.000 1.071 249 L CA 1.705 56.615 54.840 0.117 0.000 0.749 249 L CB -0.678 41.446 42.059 0.108 0.000 0.890 249 L HN 0.289 nan 8.230 nan 0.000 0.431 250 I N -0.347 120.297 120.570 0.122 0.000 2.142 250 I HA -0.210 4.139 4.170 0.297 0.000 0.240 250 I C 2.520 178.737 176.117 0.167 0.000 1.078 250 I CA 1.418 62.800 61.300 0.136 0.000 1.343 250 I CB -1.224 36.802 38.000 0.044 0.000 1.046 250 I HN 0.444 nan 8.210 nan 0.000 0.405 251 G N 0.962 109.843 108.800 0.133 0.000 2.402 251 G HA2 -0.162 3.976 3.960 0.297 0.000 0.216 251 G HA3 -0.162 3.976 3.960 0.297 0.000 0.216 251 G C 1.718 176.703 174.900 0.142 0.000 1.162 251 G CA 0.558 45.731 45.100 0.121 0.000 0.777 251 G HN 0.299 nan 8.290 nan 0.000 0.539 252 I N 1.146 121.817 120.570 0.169 0.000 2.286 252 I HA -0.037 4.312 4.170 0.297 0.000 0.245 252 I C 3.080 179.356 176.117 0.266 0.000 1.104 252 I CA 0.880 62.329 61.300 0.248 0.000 1.397 252 I CB -0.406 37.781 38.000 0.312 0.000 1.072 252 I HN 0.242 nan 8.210 nan 0.000 0.417 253 G N 0.254 109.186 108.800 0.219 0.000 2.442 253 G HA2 -0.237 3.901 3.960 0.297 0.000 0.219 253 G HA3 -0.237 3.901 3.960 0.297 0.000 0.219 253 G C 1.653 176.717 174.900 0.274 0.000 1.141 253 G CA 1.494 46.721 45.100 0.212 0.000 0.763 253 G HN 0.282 nan 8.290 nan 0.000 0.554 254 T N -0.299 114.452 114.554 0.327 0.000 2.777 254 T HA -0.140 4.389 4.350 0.297 0.000 0.266 254 T C 1.967 176.868 174.700 0.336 0.000 1.040 254 T CA 1.254 63.604 62.100 0.417 0.000 1.141 254 T CB -0.319 68.714 68.868 0.276 0.000 0.868 254 T HN 0.392 nan 8.240 nan 0.000 0.444 255 Y N 1.700 122.076 120.300 0.127 0.000 2.181 255 Y HA -0.047 4.670 4.550 0.277 0.000 0.288 255 Y C 1.925 177.876 175.900 0.085 0.000 1.146 255 Y CA 1.057 59.200 58.100 0.072 0.000 1.164 255 Y CB -0.487 37.978 38.460 0.009 0.000 0.982 255 Y HN 0.123 nan 8.280 nan 0.000 0.515 256 L N -0.620 120.625 121.223 0.037 0.000 2.027 256 L HA -0.220 4.298 4.340 0.297 0.000 0.206 256 L C 2.453 179.300 176.870 -0.038 0.000 1.074 256 L CA 1.258 55.995 54.840 -0.171 0.000 0.745 256 L CB -0.616 41.105 42.059 -0.563 0.000 0.898 256 L HN 0.276 nan 8.230 nan 0.000 0.433 257 L N -0.996 120.243 121.223 0.027 0.000 2.093 257 L HA -0.233 4.285 4.340 0.297 0.000 0.208 257 L C 2.524 179.396 176.870 0.004 0.000 1.085 257 L CA 0.653 55.503 54.840 0.018 0.000 0.755 257 L CB -0.402 41.485 42.059 -0.286 0.000 0.904 257 L HN 0.220 nan 8.230 nan 0.000 0.435 258 L N -0.055 121.202 121.223 0.057 0.000 2.046 258 L HA -0.190 4.328 4.340 0.297 0.000 0.208 258 L C 2.788 179.599 176.870 -0.098 0.000 1.077 258 L CA 2.456 57.324 54.840 0.046 0.000 0.747 258 L CB -1.111 40.992 42.059 0.073 0.000 0.896 258 L HN 0.444 nan 8.230 nan 0.000 0.432 259 T N -4.337 110.061 114.554 -0.260 0.000 3.113 259 T HA -0.044 4.484 4.350 0.297 0.000 0.256 259 T C 0.717 175.092 174.700 -0.541 0.000 1.131 259 T CA 0.402 62.238 62.100 -0.440 0.000 1.074 259 T CB -0.390 68.048 68.868 -0.717 0.000 0.944 259 T HN 0.302 nan 8.240 nan 0.000 0.516 260 H N 1.130 120.157 119.070 -0.071 0.000 2.348 260 H HA 0.272 5.009 4.556 0.301 0.000 0.232 260 H C -2.180 173.143 175.328 -0.007 0.000 1.419 260 H CA -1.912 54.139 56.048 0.005 0.000 1.416 260 H CB 1.495 31.350 29.762 0.154 0.000 1.510 260 H HN 0.199 nan 8.280 nan 0.000 0.507 261 P HA -0.246 nan 4.420 nan 0.000 0.217 261 P C 1.556 178.861 177.300 0.008 0.000 1.158 261 P CA 1.689 64.793 63.100 0.006 0.000 0.887 261 P CB 0.330 32.025 31.700 -0.008 0.000 0.792 262 D N -0.908 119.502 120.400 0.018 0.000 2.133 262 D HA -0.230 4.588 4.640 0.297 0.000 0.195 262 D C 1.623 177.907 176.300 -0.027 0.000 0.997 262 D CA 1.178 55.176 54.000 -0.003 0.000 0.840 262 D CB -0.736 40.064 40.800 0.000 0.000 0.947 262 D HN 0.215 nan 8.370 nan 0.000 0.452 263 Q N 0.158 119.951 119.800 -0.012 0.000 2.123 263 Q HA -0.023 4.495 4.340 0.297 0.000 0.199 263 Q C 2.479 178.434 176.000 -0.074 0.000 0.966 263 Q CA 0.301 56.055 55.803 -0.082 0.000 0.845 263 Q CB -0.526 28.139 28.738 -0.121 0.000 0.907 263 Q HN 0.315 nan 8.270 nan 0.000 0.439 264 L N 0.962 122.154 121.223 -0.051 0.000 2.046 264 L HA -0.050 4.468 4.340 0.297 0.000 0.208 264 L C 2.113 178.920 176.870 -0.105 0.000 1.077 264 L CA 2.102 56.858 54.840 -0.140 0.000 0.747 264 L CB -1.018 40.942 42.059 -0.165 0.000 0.896 264 L HN 0.115 nan 8.230 nan 0.000 0.432 265 A N -0.505 122.281 122.820 -0.057 0.000 1.908 265 A HA -0.181 4.317 4.320 0.297 0.000 0.218 265 A C 2.242 179.801 177.584 -0.041 0.000 1.181 265 A CA 1.783 53.799 52.037 -0.036 0.000 0.627 265 A CB -0.988 17.998 19.000 -0.022 0.000 0.818 265 A HN 0.464 nan 8.150 nan 0.000 0.445 266 L N 0.293 121.483 121.223 -0.055 0.000 2.042 266 L HA -0.145 4.374 4.340 0.297 0.000 0.210 266 L C 2.529 179.366 176.870 -0.054 0.000 1.076 266 L CA 2.139 56.944 54.840 -0.058 0.000 0.749 266 L CB -1.017 40.992 42.059 -0.083 0.000 0.893 266 L HN 0.288 nan 8.230 nan 0.000 0.432 267 V N -0.188 119.685 119.914 -0.068 0.000 2.358 267 V HA -0.239 4.059 4.120 0.297 0.000 0.246 267 V C 2.678 178.755 176.094 -0.029 0.000 1.047 267 V CA 1.528 63.794 62.300 -0.055 0.000 1.035 267 V CB -0.659 31.112 31.823 -0.087 0.000 0.658 267 V HN 0.420 nan 8.190 nan 0.000 0.452 268 R N 0.387 120.868 120.500 -0.032 0.000 2.081 268 R HA -0.124 4.394 4.340 0.297 0.000 0.235 268 R C 2.467 178.769 176.300 0.004 0.000 1.131 268 R CA 1.581 57.681 56.100 0.000 0.000 0.960 268 R CB -0.617 29.687 30.300 0.007 0.000 0.856 268 R HN 0.539 nan 8.270 nan 0.000 0.436 269 A N 0.595 123.411 122.820 -0.007 0.000 1.898 269 A HA -0.118 4.380 4.320 0.297 0.000 0.216 269 A C 0.671 178.253 177.584 -0.003 0.000 1.181 269 A CA 1.110 53.144 52.037 -0.005 0.000 0.620 269 A CB 0.047 19.041 19.000 -0.011 0.000 0.819 269 A HN 0.149 nan 8.150 nan 0.000 0.442 270 D N -1.929 118.466 120.400 -0.008 0.000 2.446 270 D HA 0.433 5.251 4.640 0.297 0.000 0.251 270 D C -2.277 174.025 176.300 0.002 0.000 1.137 270 D CA -2.073 51.925 54.000 -0.004 0.000 0.890 270 D CB 1.430 42.224 40.800 -0.010 0.000 1.071 270 D HN -0.059 nan 8.370 nan 0.000 0.528 271 P HA -0.093 nan 4.420 nan 0.000 0.222 271 P C 1.134 178.450 177.300 0.027 0.000 1.147 271 P CA 0.759 63.874 63.100 0.025 0.000 0.790 271 P CB 0.256 31.974 31.700 0.030 0.000 0.780 272 S N -1.182 114.529 115.700 0.019 0.000 2.555 272 S HA 0.079 4.728 4.470 0.297 0.000 0.230 272 S C 1.756 176.367 174.600 0.018 0.000 0.978 272 S CA 0.648 58.861 58.200 0.021 0.000 0.934 272 S CB -0.872 62.337 63.200 0.016 0.000 0.766 272 S HN 0.083 nan 8.310 nan 0.000 0.533 273 A N 0.648 123.473 122.820 0.009 0.000 2.275 273 A HA 0.473 4.971 4.320 0.297 0.000 0.212 273 A C 1.756 179.343 177.584 0.005 0.000 1.201 273 A CA -0.041 51.994 52.037 -0.003 0.000 0.843 273 A CB -0.404 18.581 19.000 -0.024 0.000 0.873 273 A HN 0.455 nan 8.150 nan 0.000 0.492 274 L N 0.524 121.763 121.223 0.027 0.000 2.044 274 L HA 0.075 4.593 4.340 0.297 0.000 0.205 274 L C -0.897 176.014 176.870 0.069 0.000 1.075 274 L CA 2.012 56.881 54.840 0.048 0.000 0.747 274 L CB -0.966 41.133 42.059 0.066 0.000 0.903 274 L HN 0.104 nan 8.230 nan 0.000 0.435 275 P HA -0.161 nan 4.420 nan 0.000 0.216 275 P C 1.106 178.465 177.300 0.098 0.000 1.153 275 P CA 1.622 64.777 63.100 0.091 0.000 0.858 275 P CB -0.053 31.695 31.700 0.080 0.000 0.789 276 N N -1.108 117.634 118.700 0.069 0.000 2.354 276 N HA -0.047 4.871 4.740 0.297 0.000 0.179 276 N C 1.525 177.059 175.510 0.040 0.000 1.021 276 N CA 0.937 54.023 53.050 0.061 0.000 0.887 276 N CB -0.600 37.906 38.487 0.031 0.000 0.974 276 N HN -0.064 nan 8.380 nan 0.000 0.437 277 A N -0.308 122.531 122.820 0.031 0.000 1.930 277 A HA -0.034 4.464 4.320 0.297 0.000 0.217 277 A C 2.260 179.908 177.584 0.106 0.000 1.175 277 A CA 1.195 53.249 52.037 0.028 0.000 0.627 277 A CB -0.708 18.308 19.000 0.027 0.000 0.815 277 A HN 0.140 nan 8.150 nan 0.000 0.443 278 V N 0.436 120.422 119.914 0.119 0.000 2.343 278 V HA -0.216 4.082 4.120 0.297 0.000 0.247 278 V C 2.522 178.687 176.094 0.119 0.000 1.051 278 V CA 2.091 64.476 62.300 0.141 0.000 1.036 278 V CB -0.695 31.224 31.823 0.161 0.000 0.654 278 V HN 0.525 nan 8.190 nan 0.000 0.451 279 E N 0.020 120.297 120.200 0.129 0.000 2.110 279 E HA -0.242 4.287 4.350 0.297 0.000 0.193 279 E C 2.220 178.812 176.600 -0.013 0.000 0.988 279 E CA 1.371 57.842 56.400 0.119 0.000 0.804 279 E CB -0.144 29.696 29.700 0.233 0.000 0.745 279 E HN 0.672 nan 8.360 nan 0.000 0.458 280 E N 0.957 121.177 120.200 0.035 0.000 2.208 280 E HA -0.066 4.462 4.350 0.297 0.000 0.193 280 E C 1.945 178.641 176.600 0.159 0.000 0.988 280 E CA 0.463 56.880 56.400 0.029 0.000 0.828 280 E CB -0.222 29.444 29.700 -0.058 0.000 0.763 280 E HN 0.223 nan 8.360 nan 0.000 0.478 281 I N -0.037 120.649 120.570 0.194 0.000 2.252 281 I HA -0.229 4.120 4.170 0.297 0.000 0.245 281 I C 2.144 178.294 176.117 0.055 0.000 1.102 281 I CA 0.775 62.190 61.300 0.192 0.000 1.385 281 I CB -0.138 37.963 38.000 0.169 0.000 1.064 281 I HN 0.160 nan 8.210 nan 0.000 0.414 282 L N 0.130 121.305 121.223 -0.079 0.000 2.083 282 L HA -0.203 4.315 4.340 0.297 0.000 0.209 282 L C 2.769 179.450 176.870 -0.315 0.000 1.083 282 L CA 1.205 55.902 54.840 -0.238 0.000 0.752 282 L CB -0.569 41.225 42.059 -0.442 0.000 0.899 282 L HN 0.239 nan 8.230 nan 0.000 0.433 283 R N -0.769 119.497 120.500 -0.390 0.000 2.066 283 R HA -0.221 4.297 4.340 0.297 0.000 0.232 283 R C 2.451 178.623 176.300 -0.213 0.000 1.131 283 R CA 1.591 57.464 56.100 -0.378 0.000 0.955 283 R CB -0.431 29.625 30.300 -0.407 0.000 0.851 283 R HN 0.195 nan 8.270 nan 0.000 0.432 284 Y N 0.775 120.949 120.300 -0.211 0.000 2.070 284 Y HA -0.049 4.677 4.550 0.293 0.000 0.280 284 Y C 0.754 176.501 175.900 -0.255 0.000 1.148 284 Y CA 1.525 59.506 58.100 -0.198 0.000 1.125 284 Y CB 0.218 38.641 38.460 -0.063 0.000 0.975 284 Y HN -0.025 nan 8.280 nan 0.000 0.492 285 I N 1.007 121.512 120.570 -0.108 0.000 2.537 285 I HA 0.326 4.674 4.170 0.297 0.000 0.276 285 I C -0.493 175.674 176.117 0.084 0.000 1.063 285 I CA -0.796 60.489 61.300 -0.025 0.000 1.144 285 I CB 0.772 38.834 38.000 0.103 0.000 1.252 285 I HN 0.061 nan 8.210 nan 0.000 0.480 286 A N 7.310 130.175 122.820 0.076 0.000 2.492 286 A HA 0.336 4.834 4.320 0.297 0.000 0.254 286 A C -1.724 175.916 177.584 0.092 0.000 1.091 286 A CA -0.802 51.260 52.037 0.042 0.000 0.768 286 A CB 0.027 19.050 19.000 0.038 0.000 1.028 286 A HN 0.437 nan 8.150 nan 0.000 0.498 287 P HA -0.047 nan 4.420 nan 0.000 0.215 287 P C -1.885 175.446 177.300 0.052 0.000 1.157 287 P CA 1.215 64.359 63.100 0.073 0.000 0.863 287 P CB -0.741 30.988 31.700 0.050 0.000 0.787 288 P HA 0.108 nan 4.420 nan 0.000 0.238 288 P C 0.432 177.749 177.300 0.028 0.000 1.794 288 P CA 0.199 63.313 63.100 0.022 0.000 1.088 288 P CB -0.427 31.284 31.700 0.017 0.000 1.923 289 E N 0.971 121.193 120.200 0.037 0.000 2.209 289 E HA -0.106 4.423 4.350 0.297 0.000 0.196 289 E C -0.098 176.506 176.600 0.006 0.000 0.993 289 E CA 0.998 57.431 56.400 0.054 0.000 0.819 289 E CB 0.275 30.003 29.700 0.046 0.000 0.745 289 E HN 0.175 nan 8.360 nan 0.000 0.477 290 T N -0.078 114.464 114.554 -0.021 0.000 2.971 290 T HA 0.272 4.801 4.350 0.297 0.000 0.304 290 T C -1.180 173.496 174.700 -0.039 0.000 1.038 290 T CA -0.663 61.407 62.100 -0.050 0.000 1.007 290 T CB 1.681 70.498 68.868 -0.085 0.000 1.055 290 T HN 0.113 nan 8.240 nan 0.000 0.451 291 T N 0.618 115.146 114.554 -0.044 0.000 2.841 291 T HA 0.700 5.228 4.350 0.297 0.000 0.283 291 T C -0.173 174.481 174.700 -0.076 0.000 1.000 291 T CA -0.781 61.293 62.100 -0.042 0.000 0.977 291 T CB 1.488 70.344 68.868 -0.021 0.000 0.979 291 T HN 0.395 nan 8.240 nan 0.000 0.446 292 T N 3.695 118.182 114.554 -0.111 0.000 2.875 292 T HA 0.683 5.212 4.350 0.297 0.000 0.284 292 T C -0.166 174.383 174.700 -0.252 0.000 0.995 292 T CA -0.968 60.993 62.100 -0.232 0.000 1.060 292 T CB 0.674 69.293 68.868 -0.414 0.000 0.967 292 T HN 0.440 nan 8.240 nan 0.000 0.476 293 R N 1.116 121.465 120.500 -0.251 0.000 2.771 293 R HA 0.518 5.036 4.340 0.297 0.000 0.274 293 R C -1.701 174.572 176.300 -0.045 0.000 0.987 293 R CA -0.885 55.151 56.100 -0.105 0.000 0.908 293 R CB 1.937 32.213 30.300 -0.039 0.000 1.213 293 R HN 0.624 nan 8.270 nan 0.000 0.468 294 F N 0.829 120.771 119.950 -0.013 0.000 2.467 294 F HA 0.561 5.266 4.527 0.296 0.000 0.336 294 F C -0.304 175.517 175.800 0.036 0.000 1.123 294 F CA -0.926 57.114 58.000 0.067 0.000 0.964 294 F CB 1.678 40.869 39.000 0.319 0.000 1.136 294 F HN 0.661 nan 8.300 nan 0.000 0.447 295 A N 5.241 127.668 122.820 -0.655 0.000 2.544 295 A HA 0.509 5.007 4.320 0.297 0.000 0.301 295 A C 1.023 178.173 177.584 -0.723 0.000 1.368 295 A CA 0.377 52.077 52.037 -0.562 0.000 1.045 295 A CB -0.554 18.146 19.000 -0.499 0.000 1.129 295 A HN 1.152 nan 8.150 nan 0.000 0.540 296 A N 2.604 125.206 122.820 -0.363 0.000 2.015 296 A HA 0.094 4.592 4.320 0.297 0.000 0.219 296 A C 0.884 178.258 177.584 -0.351 0.000 1.163 296 A CA 1.130 53.010 52.037 -0.262 0.000 0.646 296 A CB 0.012 19.073 19.000 0.102 0.000 0.806 296 A HN 0.768 nan 8.150 nan 0.000 0.448 297 E N -1.399 118.611 120.200 -0.318 0.000 2.410 297 E HA 0.365 4.893 4.350 0.297 0.000 0.269 297 E C -0.997 175.411 176.600 -0.321 0.000 0.937 297 E CA -0.835 55.386 56.400 -0.298 0.000 0.793 297 E CB 1.324 30.924 29.700 -0.167 0.000 1.314 297 E HN 0.380 nan 8.360 nan 0.000 0.447 298 E N 0.873 120.904 120.200 -0.283 0.000 2.392 298 E HA 0.221 4.749 4.350 0.297 0.000 0.264 298 E C -1.314 175.151 176.600 -0.224 0.000 1.024 298 E CA -0.132 56.110 56.400 -0.264 0.000 0.903 298 E CB 0.772 30.345 29.700 -0.211 0.000 0.963 298 E HN 0.107 nan 8.360 nan 0.000 0.432 299 V N 4.144 123.910 119.914 -0.247 0.000 2.733 299 V HA 0.188 4.486 4.120 0.297 0.000 0.306 299 V C -0.773 175.187 176.094 -0.222 0.000 1.084 299 V CA -0.775 61.399 62.300 -0.209 0.000 0.905 299 V CB 1.844 33.542 31.823 -0.208 0.000 1.010 299 V HN 0.782 nan 8.190 nan 0.000 0.424 300 E N 4.840 124.939 120.200 -0.168 0.000 2.109 300 E HA 0.502 5.030 4.350 0.297 0.000 0.278 300 E C -1.455 175.064 176.600 -0.135 0.000 0.954 300 E CA -0.552 55.753 56.400 -0.158 0.000 0.779 300 E CB 1.019 30.650 29.700 -0.116 0.000 1.093 300 E HN 0.460 nan 8.360 nan 0.000 0.401 301 I N 3.697 124.178 120.570 -0.147 0.000 2.418 301 I HA 0.264 4.612 4.170 0.297 0.000 0.287 301 I C 0.833 176.906 176.117 -0.073 0.000 1.008 301 I CA -0.346 60.889 61.300 -0.107 0.000 1.104 301 I CB 0.930 38.859 38.000 -0.117 0.000 1.264 301 I HN 0.886 nan 8.210 nan 0.000 0.438 302 G N 4.740 113.511 108.800 -0.049 0.000 2.305 302 G HA2 -0.110 4.028 3.960 0.297 0.000 0.287 302 G HA3 -0.110 4.028 3.960 0.297 0.000 0.287 302 G C 1.058 175.946 174.900 -0.021 0.000 1.036 302 G CA 0.849 45.934 45.100 -0.025 0.000 0.887 302 G HN 1.611 nan 8.290 nan 0.000 0.505 303 G N -3.210 105.570 108.800 -0.034 0.000 2.253 303 G HA2 -0.096 4.043 3.960 0.297 0.000 0.251 303 G HA3 -0.096 4.043 3.960 0.297 0.000 0.251 303 G C 0.509 175.386 174.900 -0.039 0.000 0.998 303 G CA 0.561 45.643 45.100 -0.029 0.000 0.621 303 G HN 1.682 nan 8.290 nan 0.000 0.524 304 V N 1.484 121.365 119.914 -0.055 0.000 2.439 304 V HA 0.713 5.011 4.120 0.297 0.000 0.282 304 V C 0.753 176.734 176.094 -0.187 0.000 1.039 304 V CA -0.121 62.129 62.300 -0.084 0.000 0.913 304 V CB 1.552 33.349 31.823 -0.044 0.000 0.983 304 V HN 1.124 nan 8.190 nan 0.000 0.460 305 A N 6.613 129.312 122.820 -0.202 0.000 2.316 305 A HA 0.637 5.136 4.320 0.297 0.000 0.311 305 A C -0.204 177.111 177.584 -0.448 0.000 1.339 305 A CA -0.358 51.525 52.037 -0.256 0.000 0.960 305 A CB -0.228 18.674 19.000 -0.164 0.000 1.152 305 A HN 0.798 nan 8.150 nan 0.000 0.547 306 I N 4.755 124.973 120.570 -0.587 0.000 2.379 306 I HA 0.163 4.512 4.170 0.297 0.000 0.290 306 I C -2.010 173.783 176.117 -0.540 0.000 1.063 306 I CA -1.793 58.967 61.300 -0.900 0.000 1.351 306 I CB 1.263 38.746 38.000 -0.862 0.000 1.410 306 I HN 0.424 nan 8.210 nan 0.000 0.505 307 P HA -0.082 nan 4.420 nan 0.000 0.266 307 P C -0.537 176.590 177.300 -0.287 0.000 1.193 307 P CA -0.096 62.870 63.100 -0.224 0.000 0.770 307 P CB 0.417 32.089 31.700 -0.047 0.000 0.836 308 Q N 2.046 121.651 119.800 -0.324 0.000 2.432 308 Q HA -0.032 4.487 4.340 0.297 0.000 0.264 308 Q C -0.416 175.292 176.000 -0.488 0.000 1.035 308 Q CA -0.027 55.452 55.803 -0.540 0.000 0.908 308 Q CB -0.034 28.282 28.738 -0.702 0.000 1.280 308 Q HN 0.403 nan 8.270 nan 0.000 0.455 309 Y N -0.441 119.551 120.300 -0.515 0.000 4.490 309 Y HA -0.258 4.470 4.550 0.297 0.000 0.233 309 Y C -0.200 175.456 175.900 -0.407 0.000 1.101 309 Y CA 0.766 58.511 58.100 -0.591 0.000 2.010 309 Y CB -2.315 36.080 38.460 -0.109 0.000 1.622 309 Y HN 0.368 nan 8.280 nan 0.000 0.675 310 S N -0.497 115.011 115.700 -0.319 0.000 2.646 310 S HA 0.624 5.272 4.470 0.297 0.000 0.276 310 S C 0.623 175.206 174.600 -0.029 0.000 1.222 310 S CA -0.574 57.603 58.200 -0.038 0.000 1.014 310 S CB 1.620 64.820 63.200 -0.001 0.000 0.991 310 S HN 0.185 nan 8.310 nan 0.000 0.533 311 T N 2.227 116.888 114.554 0.178 0.000 2.749 311 T HA 0.470 4.998 4.350 0.297 0.000 0.287 311 T C -0.509 174.260 174.700 0.115 0.000 0.970 311 T CA -0.388 61.806 62.100 0.158 0.000 0.980 311 T CB 0.639 69.598 68.868 0.151 0.000 0.924 311 T HN 0.300 nan 8.240 nan 0.000 0.456 312 V N 5.395 125.322 119.914 0.022 0.000 2.459 312 V HA 0.470 4.768 4.120 0.297 0.000 0.295 312 V C -0.232 175.848 176.094 -0.024 0.000 1.029 312 V CA -0.874 61.447 62.300 0.035 0.000 0.874 312 V CB 1.625 33.433 31.823 -0.025 0.000 0.985 312 V HN 0.728 nan 8.190 nan 0.000 0.438 313 L N 5.208 126.429 121.223 -0.003 0.000 2.301 313 L HA 0.470 4.988 4.340 0.297 0.000 0.278 313 L C -0.496 176.342 176.870 -0.054 0.000 1.022 313 L CA -0.657 54.153 54.840 -0.049 0.000 0.854 313 L CB 1.658 43.678 42.059 -0.066 0.000 1.226 313 L HN 0.370 nan 8.230 nan 0.000 0.429 314 V N 3.057 122.935 119.914 -0.060 0.000 2.405 314 V HA 0.180 4.478 4.120 0.297 0.000 0.264 314 V C 0.980 177.026 176.094 -0.081 0.000 1.048 314 V CA -0.263 62.001 62.300 -0.061 0.000 0.966 314 V CB 1.194 32.989 31.823 -0.048 0.000 1.015 314 V HN 0.833 nan 8.190 nan 0.000 0.477 315 A N 4.382 127.128 122.820 -0.123 0.000 2.915 315 A HA 0.268 4.766 4.320 0.297 0.000 0.292 315 A C 1.218 178.735 177.584 -0.113 0.000 1.632 315 A CA -0.425 51.499 52.037 -0.189 0.000 1.337 315 A CB -0.784 17.953 19.000 -0.439 0.000 1.111 315 A HN 0.900 nan 8.150 nan 0.000 0.569 316 N N 1.778 120.457 118.700 -0.035 0.000 2.132 316 N HA -0.187 4.731 4.740 0.297 0.000 0.191 316 N C 1.835 177.388 175.510 0.072 0.000 1.015 316 N CA 2.110 55.179 53.050 0.031 0.000 0.864 316 N CB -0.114 38.400 38.487 0.045 0.000 1.006 316 N HN 0.635 nan 8.380 nan 0.000 0.430 317 G N -0.180 108.671 108.800 0.086 0.000 2.408 317 G HA2 -0.085 4.054 3.960 0.297 0.000 0.217 317 G HA3 -0.085 4.054 3.960 0.297 0.000 0.217 317 G C 1.542 176.612 174.900 0.283 0.000 1.150 317 G CA 0.802 46.040 45.100 0.229 0.000 0.776 317 G HN 0.446 nan 8.290 nan 0.000 0.542 318 A N 1.142 123.991 122.820 0.049 0.000 1.929 318 A HA 0.392 4.890 4.320 0.297 0.000 0.216 318 A C 2.788 180.437 177.584 0.109 0.000 1.176 318 A CA 1.899 53.952 52.037 0.027 0.000 0.628 318 A CB -0.694 18.011 19.000 -0.491 0.000 0.816 318 A HN 0.679 nan 8.150 nan 0.000 0.444 319 A N 0.574 123.453 122.820 0.100 0.000 1.908 319 A HA -0.205 4.293 4.320 0.297 0.000 0.218 319 A C 1.749 179.569 177.584 0.394 0.000 1.181 319 A CA 1.776 53.956 52.037 0.238 0.000 0.627 319 A CB -0.648 18.466 19.000 0.190 0.000 0.818 319 A HN 0.513 nan 8.150 nan 0.000 0.445 320 N N -0.318 118.538 118.700 0.259 0.000 2.573 320 N HA -0.058 4.860 4.740 0.297 0.000 0.187 320 N C 0.755 176.239 175.510 -0.044 0.000 1.107 320 N CA 0.581 53.683 53.050 0.086 0.000 0.918 320 N CB -0.076 38.350 38.487 -0.102 0.000 0.966 320 N HN 0.367 nan 8.380 nan 0.000 0.448 321 R N 0.307 120.855 120.500 0.079 0.000 2.613 321 R HA 0.134 4.652 4.340 0.297 0.000 0.361 321 R C -0.438 175.903 176.300 0.068 0.000 1.072 321 R CA -0.269 55.832 56.100 0.002 0.000 1.089 321 R CB 0.074 30.358 30.300 -0.026 0.000 1.343 321 R HN 0.059 nan 8.270 nan 0.000 0.571 322 D N 1.725 122.243 120.400 0.197 0.000 2.325 322 D HA 0.137 4.955 4.640 0.297 0.000 0.251 322 D C -1.670 174.674 176.300 0.073 0.000 1.196 322 D CA -2.232 51.850 54.000 0.137 0.000 0.866 322 D CB 1.999 42.917 40.800 0.195 0.000 1.101 322 D HN -0.122 nan 8.370 nan 0.000 0.476 323 P HA -0.191 nan 4.420 nan 0.000 0.216 323 P C 1.359 178.634 177.300 -0.042 0.000 1.154 323 P CA 1.551 64.639 63.100 -0.019 0.000 0.865 323 P CB 0.113 31.798 31.700 -0.025 0.000 0.789 324 S N -1.716 113.958 115.700 -0.043 0.000 2.469 324 S HA -0.188 4.460 4.470 0.297 0.000 0.238 324 S C 2.044 176.536 174.600 -0.179 0.000 0.998 324 S CA 1.210 59.364 58.200 -0.076 0.000 0.957 324 S CB -0.696 62.484 63.200 -0.035 0.000 0.764 324 S HN 0.099 nan 8.310 nan 0.000 0.514 325 Q N 0.048 119.674 119.800 -0.289 0.000 2.442 325 Q HA 0.406 4.925 4.340 0.297 0.000 0.228 325 Q C -0.743 174.750 176.000 -0.845 0.000 0.902 325 Q CA 0.483 55.868 55.803 -0.697 0.000 0.933 325 Q CB 0.417 28.444 28.738 -1.185 0.000 1.071 325 Q HN 0.556 nan 8.270 nan 0.000 0.562 326 F N 2.744 122.597 119.950 -0.163 0.000 2.532 326 F HA 0.446 5.164 4.527 0.317 0.000 0.365 326 F C -2.248 173.497 175.800 -0.092 0.000 1.112 326 F CA -2.808 55.124 58.000 -0.114 0.000 1.082 326 F CB 1.656 40.601 39.000 -0.092 0.000 1.319 326 F HN -0.062 nan 8.300 nan 0.000 0.457 327 P HA -0.015 nan 4.420 nan 0.000 0.267 327 P C -0.053 177.261 177.300 0.024 0.000 1.209 327 P CA 0.448 63.556 63.100 0.013 0.000 0.763 327 P CB 0.965 32.661 31.700 -0.007 0.000 0.816 328 D N 3.899 124.299 120.400 -0.001 0.000 2.705 328 D HA -0.124 4.694 4.640 0.297 0.000 0.240 328 D C -1.049 175.254 176.300 0.005 0.000 1.137 328 D CA 0.378 54.378 54.000 0.001 0.000 0.677 328 D CB -0.785 40.025 40.800 0.015 0.000 1.049 328 D HN 0.324 nan 8.370 nan 0.000 0.427 329 P HA -0.187 nan 4.420 nan 0.000 0.220 329 P C 0.970 178.271 177.300 0.001 0.000 1.144 329 P CA 1.151 64.213 63.100 -0.062 0.000 0.800 329 P CB -0.002 31.601 31.700 -0.161 0.000 0.772 330 H N -1.115 118.006 119.070 0.085 0.000 2.533 330 H HA 0.192 4.923 4.556 0.291 0.000 0.271 330 H C 0.912 176.400 175.328 0.266 0.000 1.000 330 H CA 0.138 56.273 56.048 0.144 0.000 1.149 330 H CB -0.218 29.577 29.762 0.055 0.000 1.375 330 H HN 0.176 nan 8.280 nan 0.000 0.582 331 R N 0.838 121.485 120.500 0.246 0.000 2.255 331 R HA 0.108 4.627 4.340 0.297 0.000 0.326 331 R C -1.055 175.179 176.300 -0.110 0.000 0.986 331 R CA -0.794 55.347 56.100 0.069 0.000 0.847 331 R CB 0.265 30.578 30.300 0.021 0.000 1.111 331 R HN -0.097 nan 8.270 nan 0.000 0.452 332 F N 4.634 124.205 119.950 -0.632 0.000 2.462 332 F HA 0.202 4.754 4.527 0.042 0.000 0.360 332 F C -0.815 174.682 175.800 -0.504 0.000 1.134 332 F CA -0.528 56.914 58.000 -0.931 0.000 1.148 332 F CB 0.495 38.577 39.000 -1.531 0.000 1.147 332 F HN 0.499 nan 8.300 nan 0.000 0.550 333 D N 5.085 125.059 120.400 -0.710 0.000 2.473 333 D HA 0.232 5.051 4.640 0.297 0.000 0.253 333 D C 0.455 176.420 176.300 -0.559 0.000 1.233 333 D CA -0.407 53.245 54.000 -0.579 0.000 0.908 333 D CB 1.572 42.203 40.800 -0.281 0.000 1.170 333 D HN 0.300 nan 8.370 nan 0.000 0.558 334 V N 2.806 122.330 119.914 -0.650 0.000 2.867 334 V HA -0.161 4.137 4.120 0.297 0.000 0.260 334 V C 2.155 178.121 176.094 -0.213 0.000 1.099 334 V CA 2.383 64.434 62.300 -0.415 0.000 1.122 334 V CB -0.774 30.835 31.823 -0.356 0.000 0.708 334 V HN 0.807 nan 8.190 nan 0.000 0.490 335 T N -1.546 112.894 114.554 -0.190 0.000 3.044 335 T HA 0.078 4.607 4.350 0.297 0.000 0.250 335 T C 1.010 175.667 174.700 -0.072 0.000 1.081 335 T CA -0.340 61.696 62.100 -0.107 0.000 1.040 335 T CB -0.102 68.709 68.868 -0.095 0.000 0.962 335 T HN 0.651 nan 8.240 nan 0.000 0.506 336 R N 1.323 121.772 120.500 -0.085 0.000 2.774 336 R HA 0.210 4.729 4.340 0.297 0.000 0.269 336 R C -0.746 175.565 176.300 0.018 0.000 1.068 336 R CA -0.469 55.613 56.100 -0.031 0.000 1.180 336 R CB -0.006 30.275 30.300 -0.030 0.000 1.077 336 R HN -0.024 nan 8.270 nan 0.000 0.513 337 D N 0.678 121.112 120.400 0.057 0.000 2.317 337 D HA 0.029 4.847 4.640 0.297 0.000 0.252 337 D C 0.423 176.835 176.300 0.186 0.000 1.174 337 D CA -0.084 53.971 54.000 0.091 0.000 0.866 337 D CB 1.387 42.225 40.800 0.064 0.000 1.127 337 D HN 0.648 nan 8.370 nan 0.000 0.467 338 T N 0.569 115.244 114.554 0.203 0.000 3.069 338 T HA 0.175 4.703 4.350 0.297 0.000 0.252 338 T C 0.956 175.895 174.700 0.397 0.000 1.053 338 T CA -0.396 61.896 62.100 0.319 0.000 0.964 338 T CB 0.037 69.068 68.868 0.272 0.000 1.005 338 T HN 0.230 nan 8.240 nan 0.000 0.532 339 R N 1.250 121.895 120.500 0.242 0.000 2.523 339 R HA 0.345 4.863 4.340 0.297 0.000 0.281 339 R C 1.543 177.952 176.300 0.182 0.000 0.969 339 R CA 1.225 57.419 56.100 0.158 0.000 1.093 339 R CB -0.229 30.122 30.300 0.084 0.000 0.917 339 R HN 0.540 nan 8.270 nan 0.000 0.408 340 G N 1.200 110.081 108.800 0.136 0.000 2.195 340 G HA2 -0.290 3.848 3.960 0.297 0.000 0.246 340 G HA3 -0.290 3.848 3.960 0.297 0.000 0.246 340 G C 0.243 175.402 174.900 0.431 0.000 0.984 340 G CA 0.347 45.584 45.100 0.229 0.000 0.633 340 G HN 0.959 nan 8.290 nan 0.000 0.525 341 H N 0.190 119.567 119.070 0.512 0.000 2.836 341 H HA 0.364 5.111 4.556 0.318 0.000 0.368 341 H C 0.922 176.462 175.328 0.352 0.000 1.164 341 H CA 0.286 56.601 56.048 0.445 0.000 1.425 341 H CB 0.693 30.535 29.762 0.134 0.000 1.414 341 H HN 0.189 nan 8.280 nan 0.000 0.614 342 L N 2.148 123.653 121.223 0.470 0.000 2.741 342 L HA 0.061 4.579 4.340 0.297 0.000 0.237 342 L C 1.637 178.654 176.870 0.245 0.000 1.178 342 L CA -0.162 54.863 54.840 0.308 0.000 0.973 342 L CB 0.205 42.386 42.059 0.203 0.000 1.255 342 L HN 0.575 nan 8.230 nan 0.000 0.498 343 S N 0.147 116.039 115.700 0.320 0.000 2.447 343 S HA -0.012 4.636 4.470 0.297 0.000 0.233 343 S C 1.218 175.753 174.600 -0.109 0.000 1.006 343 S CA 1.128 59.333 58.200 0.008 0.000 0.957 343 S CB -0.102 62.954 63.200 -0.240 0.000 0.773 343 S HN 0.351 nan 8.310 nan 0.000 0.507 344 F N 1.255 121.259 119.950 0.090 0.000 2.664 344 F HA 0.422 5.131 4.527 0.305 0.000 0.303 344 F C 1.510 177.067 175.800 -0.405 0.000 1.092 344 F CA -0.046 57.816 58.000 -0.229 0.000 1.305 344 F CB -0.138 38.620 39.000 -0.404 0.000 1.054 344 F HN 0.258 nan 8.300 nan 0.000 0.565 345 G N 0.823 109.662 108.800 0.067 0.000 2.548 345 G HA2 0.113 4.251 3.960 0.297 0.000 0.208 345 G HA3 0.113 4.251 3.960 0.297 0.000 0.208 345 G C -1.039 174.038 174.900 0.295 0.000 1.308 345 G CA -0.457 44.712 45.100 0.116 0.000 0.924 345 G HN 0.401 nan 8.290 nan 0.000 0.540 346 Q N -0.902 119.100 119.800 0.336 0.000 2.599 346 Q HA 0.657 5.175 4.340 0.297 0.000 0.248 346 Q C 0.167 176.311 176.000 0.239 0.000 0.964 346 Q CA 1.578 57.574 55.803 0.321 0.000 1.011 346 Q CB 0.967 29.808 28.738 0.171 0.000 1.592 346 Q HN 2.900 nan 8.270 nan 0.000 0.443 347 G N 2.306 111.223 108.800 0.195 0.000 2.512 347 G HA2 -0.207 3.931 3.960 0.297 0.000 0.210 347 G HA3 -0.207 3.931 3.960 0.297 0.000 0.210 347 G C 0.679 175.663 174.900 0.141 0.000 1.295 347 G CA 0.120 45.296 45.100 0.127 0.000 0.934 347 G HN 1.544 nan 8.290 nan 0.000 0.554 348 I N -2.608 117.999 120.570 0.062 0.000 2.567 348 I HA 0.027 4.375 4.170 0.297 0.000 0.257 348 I C 1.628 177.730 176.117 -0.025 0.000 1.184 348 I CA 1.950 63.249 61.300 -0.002 0.000 1.451 348 I CB -0.279 37.637 38.000 -0.140 0.000 1.089 348 I HN 0.470 nan 8.210 nan 0.000 0.441 349 H N 0.664 119.795 119.070 0.102 0.000 2.519 349 H HA 0.210 4.944 4.556 0.296 0.000 0.289 349 H C 0.092 175.543 175.328 0.205 0.000 1.040 349 H CA -0.499 55.629 56.048 0.133 0.000 1.165 349 H CB -0.247 29.539 29.762 0.041 0.000 1.462 349 H HN 0.325 nan 8.280 nan 0.000 0.555 350 F N 1.649 121.704 119.950 0.176 0.000 2.642 350 F HA -0.117 4.588 4.527 0.296 0.000 0.371 350 F C 0.876 176.769 175.800 0.155 0.000 1.120 350 F CA -0.238 57.855 58.000 0.154 0.000 1.331 350 F CB 0.442 39.500 39.000 0.098 0.000 1.044 350 F HN 0.119 nan 8.300 nan 0.000 0.594 351 C N 8.795 127.787 119.300 -0.513 0.000 2.419 351 C HA -0.054 4.584 4.460 0.297 0.000 0.398 351 C C 1.671 176.620 174.990 -0.068 0.000 1.498 351 C CA -0.172 58.700 59.018 -0.244 0.000 1.494 351 C CB -1.271 26.302 27.740 -0.280 0.000 2.485 351 C HN 0.984 nan 8.230 nan 0.000 0.608 352 M N 4.415 124.060 119.600 0.074 0.000 2.349 352 M HA 0.055 4.713 4.480 0.297 0.000 0.266 352 M C 2.023 178.324 176.300 0.001 0.000 1.076 352 M CA 1.576 56.929 55.300 0.089 0.000 1.126 352 M CB -0.245 32.477 32.600 0.202 0.000 1.392 352 M HN 0.926 nan 8.290 nan 0.000 0.440 353 G N -0.508 108.347 108.800 0.093 0.000 3.233 353 G HA2 -0.004 4.134 3.960 0.297 0.000 0.227 353 G HA3 -0.004 4.134 3.960 0.297 0.000 0.227 353 G C 1.289 176.164 174.900 -0.042 0.000 1.175 353 G CA -0.283 44.887 45.100 0.117 0.000 0.781 353 G HN 0.350 nan 8.290 nan 0.000 0.542 354 R N 0.850 121.202 120.500 -0.246 0.000 2.113 354 R HA -0.120 4.399 4.340 0.297 0.000 0.244 354 R C -0.389 175.763 176.300 -0.246 0.000 1.142 354 R CA 1.838 57.611 56.100 -0.546 0.000 0.953 354 R CB -0.697 29.156 30.300 -0.744 0.000 0.860 354 R HN 0.271 nan 8.270 nan 0.000 0.438 355 P HA -0.156 nan 4.420 nan 0.000 0.215 355 P C 1.246 178.539 177.300 -0.011 0.000 1.157 355 P CA 0.932 63.983 63.100 -0.082 0.000 0.868 355 P CB -0.079 31.547 31.700 -0.124 0.000 0.788 356 L N -0.551 120.681 121.223 0.015 0.000 2.093 356 L HA -0.013 4.505 4.340 0.297 0.000 0.208 356 L C 2.190 179.130 176.870 0.118 0.000 1.085 356 L CA 1.804 56.702 54.840 0.097 0.000 0.755 356 L CB -1.489 40.686 42.059 0.193 0.000 0.904 356 L HN -0.139 nan 8.230 nan 0.000 0.435 357 A N -0.663 122.235 122.820 0.130 0.000 1.902 357 A HA -0.219 4.279 4.320 0.297 0.000 0.217 357 A C 2.335 180.041 177.584 0.204 0.000 1.181 357 A CA 1.904 54.058 52.037 0.195 0.000 0.623 357 A CB -0.439 18.749 19.000 0.314 0.000 0.818 357 A HN 0.482 nan 8.150 nan 0.000 0.443 358 K N -0.652 119.857 120.400 0.181 0.000 2.103 358 K HA 0.048 4.546 4.320 0.297 0.000 0.204 358 K C 1.979 178.661 176.600 0.136 0.000 1.052 358 K CA 1.091 57.487 56.287 0.181 0.000 0.945 358 K CB -0.301 32.291 32.500 0.154 0.000 0.722 358 K HN 0.517 nan 8.250 nan 0.000 0.443 359 L N 1.591 122.878 121.223 0.107 0.000 1.994 359 L HA -0.237 4.281 4.340 0.297 0.000 0.208 359 L C 2.025 178.957 176.870 0.105 0.000 1.071 359 L CA 1.697 56.594 54.840 0.095 0.000 0.745 359 L CB -0.114 41.992 42.059 0.079 0.000 0.892 359 L HN 0.195 nan 8.230 nan 0.000 0.431 360 E N -0.292 119.972 120.200 0.107 0.000 2.058 360 E HA -0.202 4.327 4.350 0.297 0.000 0.194 360 E C 2.030 178.696 176.600 0.110 0.000 0.997 360 E CA 1.117 57.575 56.400 0.096 0.000 0.801 360 E CB -0.455 29.297 29.700 0.087 0.000 0.746 360 E HN 0.728 nan 8.360 nan 0.000 0.450 361 G N 1.176 110.056 108.800 0.133 0.000 2.418 361 G HA2 -0.285 3.854 3.960 0.297 0.000 0.217 361 G HA3 -0.285 3.854 3.960 0.297 0.000 0.217 361 G C 1.308 176.309 174.900 0.168 0.000 1.158 361 G CA 0.775 45.966 45.100 0.153 0.000 0.771 361 G HN 0.211 nan 8.290 nan 0.000 0.545 362 E N -0.110 120.182 120.200 0.152 0.000 2.028 362 E HA -0.076 4.452 4.350 0.297 0.000 0.191 362 E C 2.774 179.465 176.600 0.152 0.000 0.988 362 E CA 1.041 57.528 56.400 0.146 0.000 0.799 362 E CB -0.231 29.541 29.700 0.121 0.000 0.755 362 E HN 0.247 nan 8.360 nan 0.000 0.447 363 V N 1.576 121.573 119.914 0.137 0.000 2.332 363 V HA -0.312 3.986 4.120 0.297 0.000 0.248 363 V C 2.307 178.514 176.094 0.189 0.000 1.055 363 V CA 1.983 64.367 62.300 0.139 0.000 1.038 363 V CB -0.791 31.102 31.823 0.117 0.000 0.651 363 V HN 0.338 nan 8.190 nan 0.000 0.450 364 A N -0.308 122.640 122.820 0.213 0.000 1.855 364 A HA -0.124 4.374 4.320 0.297 0.000 0.215 364 A C 2.212 180.033 177.584 0.396 0.000 1.191 364 A CA 1.771 54.011 52.037 0.338 0.000 0.613 364 A CB -0.554 18.556 19.000 0.183 0.000 0.829 364 A HN 0.481 nan 8.150 nan 0.000 0.442 365 L N -1.088 120.340 121.223 0.342 0.000 2.046 365 L HA -0.169 4.349 4.340 0.297 0.000 0.208 365 L C 2.806 179.932 176.870 0.427 0.000 1.077 365 L CA 1.667 56.770 54.840 0.438 0.000 0.747 365 L CB -0.501 41.809 42.059 0.419 0.000 0.896 365 L HN 0.476 nan 8.230 nan 0.000 0.432 366 R N 0.423 121.092 120.500 0.281 0.000 2.080 366 R HA -0.215 4.304 4.340 0.297 0.000 0.236 366 R C 2.343 178.746 176.300 0.171 0.000 1.137 366 R CA 1.743 57.969 56.100 0.211 0.000 0.943 366 R CB -0.288 30.099 30.300 0.145 0.000 0.846 366 R HN 0.337 nan 8.270 nan 0.000 0.431 367 A N 1.410 124.314 122.820 0.141 0.000 1.877 367 A HA -0.161 4.337 4.320 0.297 0.000 0.216 367 A C 2.242 179.799 177.584 -0.043 0.000 1.186 367 A CA 1.264 53.333 52.037 0.052 0.000 0.620 367 A CB -0.763 18.288 19.000 0.085 0.000 0.822 367 A HN 0.440 nan 8.150 nan 0.000 0.443 368 L N -1.547 119.647 121.223 -0.048 0.000 1.956 368 L HA -0.221 4.297 4.340 0.297 0.000 0.216 368 L C 2.516 179.266 176.870 -0.200 0.000 1.073 368 L CA 2.242 56.938 54.840 -0.239 0.000 0.762 368 L CB -0.481 41.362 42.059 -0.360 0.000 0.889 368 L HN 0.465 nan 8.230 nan 0.000 0.433 369 F N -0.483 119.514 119.950 0.078 0.000 2.365 369 F HA -0.061 4.649 4.527 0.305 0.000 0.300 369 F C 2.349 178.162 175.800 0.022 0.000 1.090 369 F CA 1.016 59.060 58.000 0.074 0.000 1.408 369 F CB -0.853 38.195 39.000 0.080 0.000 1.060 369 F HN 0.114 nan 8.300 nan 0.000 0.534 370 G N -0.895 107.979 108.800 0.123 0.000 2.623 370 G HA2 -0.135 4.003 3.960 0.297 0.000 0.214 370 G HA3 -0.135 4.003 3.960 0.297 0.000 0.214 370 G C 1.687 176.535 174.900 -0.086 0.000 1.138 370 G CA 0.151 45.272 45.100 0.036 0.000 0.794 370 G HN 0.197 nan 8.290 nan 0.000 0.535 371 R N -0.751 119.612 120.500 -0.228 0.000 2.189 371 R HA 0.244 4.762 4.340 0.297 0.000 0.203 371 R C -0.246 175.609 176.300 -0.741 0.000 1.012 371 R CA 0.293 56.068 56.100 -0.541 0.000 1.015 371 R CB -0.027 29.798 30.300 -0.792 0.000 0.938 371 R HN 0.191 nan 8.270 nan 0.000 0.472 372 F N 1.242 121.153 119.950 -0.065 0.000 2.550 372 F HA 0.397 5.098 4.527 0.290 0.000 0.348 372 F C -1.732 174.071 175.800 0.005 0.000 1.219 372 F CA -2.680 55.286 58.000 -0.056 0.000 1.203 372 F CB 1.998 40.927 39.000 -0.118 0.000 1.436 372 F HN -0.040 nan 8.300 nan 0.000 0.541 373 P HA -0.071 nan 4.420 nan 0.000 0.234 373 P C 0.890 178.267 177.300 0.128 0.000 1.167 373 P CA 0.861 64.036 63.100 0.126 0.000 0.763 373 P CB 0.423 32.165 31.700 0.071 0.000 0.835 374 A N -0.876 122.025 122.820 0.135 0.000 2.470 374 A HA 0.232 4.730 4.320 0.297 0.000 0.251 374 A C 0.643 178.277 177.584 0.084 0.000 1.245 374 A CA -0.343 51.751 52.037 0.096 0.000 0.932 374 A CB -0.545 18.500 19.000 0.074 0.000 1.037 374 A HN 0.130 nan 8.150 nan 0.000 0.522 375 L N 2.078 123.370 121.223 0.116 0.000 2.559 375 L HA 0.331 4.850 4.340 0.297 0.000 0.282 375 L C 0.482 177.387 176.870 0.059 0.000 1.232 375 L CA 1.170 56.038 54.840 0.046 0.000 0.885 375 L CB 0.426 42.510 42.059 0.040 0.000 1.131 375 L HN 0.453 nan 8.230 nan 0.000 0.498 376 S N 4.155 119.858 115.700 0.005 0.000 2.625 376 S HA 0.563 5.211 4.470 0.297 0.000 0.271 376 S C -0.718 173.874 174.600 -0.012 0.000 1.161 376 S CA -1.148 57.061 58.200 0.015 0.000 0.820 376 S CB 0.541 63.746 63.200 0.007 0.000 1.137 376 S HN 0.594 nan 8.310 nan 0.000 0.470 377 L N 1.248 122.467 121.223 -0.005 0.000 2.397 377 L HA 0.457 4.976 4.340 0.297 0.000 0.271 377 L C 1.502 178.359 176.870 -0.022 0.000 1.148 377 L CA 0.127 54.961 54.840 -0.010 0.000 0.825 377 L CB 0.831 42.894 42.059 0.007 0.000 1.117 377 L HN 1.132 nan 8.230 nan 0.000 0.456 378 G N 4.231 113.009 108.800 -0.035 0.000 3.088 378 G HA2 0.239 4.378 3.960 0.297 0.000 0.217 378 G HA3 0.239 4.378 3.960 0.297 0.000 0.217 378 G C 0.235 175.126 174.900 -0.015 0.000 1.159 378 G CA -0.043 45.037 45.100 -0.033 0.000 0.760 378 G HN 0.541 nan 8.290 nan 0.000 0.550 379 I N -3.470 117.097 120.570 -0.005 0.000 3.074 379 I HA 0.546 4.894 4.170 0.297 0.000 0.310 379 I C -1.541 174.592 176.117 0.027 0.000 1.153 379 I CA -1.350 59.958 61.300 0.013 0.000 0.993 379 I CB 2.128 40.138 38.000 0.017 0.000 1.237 379 I HN -0.207 nan 8.210 nan 0.000 0.443 380 D N 2.128 122.548 120.400 0.033 0.000 2.389 380 D HA 0.383 5.202 4.640 0.297 0.000 0.247 380 D C 1.270 177.614 176.300 0.073 0.000 1.128 380 D CA 0.573 54.597 54.000 0.040 0.000 0.884 380 D CB 1.880 42.702 40.800 0.035 0.000 1.194 380 D HN 0.722 nan 8.370 nan 0.000 0.441 381 A N 3.774 126.644 122.820 0.083 0.000 1.958 381 A HA -0.257 4.241 4.320 0.297 0.000 0.221 381 A C 1.674 179.387 177.584 0.216 0.000 1.178 381 A CA 1.720 53.858 52.037 0.170 0.000 0.642 381 A CB -0.365 18.685 19.000 0.084 0.000 0.816 381 A HN 0.740 nan 8.150 nan 0.000 0.453 382 D N -0.525 119.958 120.400 0.139 0.000 2.348 382 D HA -0.041 4.778 4.640 0.297 0.000 0.216 382 D C 0.541 176.913 176.300 0.120 0.000 0.970 382 D CA 1.163 55.245 54.000 0.136 0.000 0.889 382 D CB -0.304 40.550 40.800 0.090 0.000 0.912 382 D HN 0.587 nan 8.370 nan 0.000 0.524 383 D N -0.308 120.149 120.400 0.095 0.000 2.350 383 D HA 0.009 4.827 4.640 0.297 0.000 0.213 383 D C 0.319 176.643 176.300 0.039 0.000 1.031 383 D CA 0.010 54.050 54.000 0.067 0.000 0.861 383 D CB 0.741 41.572 40.800 0.051 0.000 0.926 383 D HN -0.083 nan 8.370 nan 0.000 0.520 384 V N 1.714 121.636 119.914 0.014 0.000 2.599 384 V HA -0.017 4.281 4.120 0.297 0.000 0.300 384 V C 0.434 176.421 176.094 -0.178 0.000 1.034 384 V CA -0.100 62.106 62.300 -0.157 0.000 1.115 384 V CB 1.113 32.712 31.823 -0.374 0.000 0.934 384 V HN -0.081 nan 8.190 nan 0.000 0.485 385 V N 5.494 125.297 119.914 -0.186 0.000 2.383 385 V HA 0.286 4.584 4.120 0.297 0.000 0.275 385 V C -0.287 175.701 176.094 -0.177 0.000 1.036 385 V CA -0.620 61.633 62.300 -0.079 0.000 0.889 385 V CB 0.939 32.754 31.823 -0.013 0.000 0.985 385 V HN 0.860 nan 8.190 nan 0.000 0.459 386 W N 3.789 125.104 121.300 0.026 0.000 2.376 386 W HA 0.555 5.374 4.660 0.265 0.000 0.322 386 W C 0.729 177.231 176.519 -0.029 0.000 1.160 386 W CA -0.605 56.755 57.345 0.024 0.000 1.218 386 W CB 0.694 30.235 29.460 0.134 0.000 1.205 386 W HN 0.433 nan 8.180 nan 0.000 0.559 387 R N 2.993 123.616 120.500 0.205 0.000 2.522 387 R HA 0.038 4.557 4.340 0.297 0.000 0.284 387 R C 0.620 176.929 176.300 0.015 0.000 1.032 387 R CA -0.139 56.010 56.100 0.082 0.000 1.049 387 R CB 0.363 30.710 30.300 0.079 0.000 0.956 387 R HN 0.484 nan 8.270 nan 0.000 0.422 388 R N 3.055 123.508 120.500 -0.077 0.000 3.710 388 R HA 0.070 4.588 4.340 0.297 0.000 0.201 388 R C -1.173 175.008 176.300 -0.198 0.000 1.641 388 R CA 0.135 56.068 56.100 -0.279 0.000 1.390 388 R CB 0.048 30.096 30.300 -0.421 0.000 1.341 388 R HN 0.503 nan 8.270 nan 0.000 0.728 389 S N 2.353 118.030 115.700 -0.039 0.000 2.546 389 S HA 0.290 4.938 4.470 0.297 0.000 0.272 389 S C 0.431 175.027 174.600 -0.007 0.000 1.140 389 S CA -0.828 57.384 58.200 0.020 0.000 0.920 389 S CB 1.325 64.532 63.200 0.012 0.000 1.083 389 S HN 0.531 nan 8.310 nan 0.000 0.476 390 L N 4.007 125.229 121.223 -0.002 0.000 2.529 390 L HA 0.193 4.711 4.340 0.297 0.000 0.223 390 L C 1.879 178.723 176.870 -0.044 0.000 1.113 390 L CA 0.206 54.989 54.840 -0.097 0.000 0.861 390 L CB -0.220 41.711 42.059 -0.214 0.000 1.012 390 L HN 0.622 nan 8.230 nan 0.000 0.461 391 L N -0.292 120.930 121.223 -0.002 0.000 2.068 391 L HA 0.079 4.597 4.340 0.297 0.000 0.204 391 L C 0.492 177.364 176.870 0.004 0.000 1.076 391 L CA 1.855 56.695 54.840 0.001 0.000 0.753 391 L CB 0.295 42.357 42.059 0.005 0.000 0.910 391 L HN 0.014 nan 8.230 nan 0.000 0.439 392 L N 0.727 121.958 121.223 0.012 0.000 2.620 392 L HA 0.318 4.837 4.340 0.297 0.000 0.261 392 L C -0.770 176.126 176.870 0.043 0.000 0.978 392 L CA -0.511 54.345 54.840 0.027 0.000 0.897 392 L CB 1.226 43.298 42.059 0.022 0.000 1.207 392 L HN 0.173 nan 8.230 nan 0.000 0.425 393 R N 2.112 122.645 120.500 0.056 0.000 2.679 393 R HA 0.708 5.226 4.340 0.297 0.000 0.269 393 R C 0.057 176.468 176.300 0.185 0.000 1.076 393 R CA 0.916 57.075 56.100 0.097 0.000 1.160 393 R CB 1.230 31.591 30.300 0.103 0.000 1.054 393 R HN 0.787 nan 8.270 nan 0.000 0.507 394 G N 1.364 110.328 108.800 0.273 0.000 2.342 394 G HA2 0.347 4.485 3.960 0.297 0.000 0.297 394 G HA3 0.347 4.485 3.960 0.297 0.000 0.297 394 G C -1.613 173.374 174.900 0.144 0.000 1.313 394 G CA -0.836 44.404 45.100 0.233 0.000 0.830 394 G HN 0.478 nan 8.290 nan 0.000 0.506 395 I N 0.959 121.519 120.570 -0.018 0.000 2.418 395 I HA 0.315 4.664 4.170 0.297 0.000 0.287 395 I C -0.247 175.835 176.117 -0.059 0.000 1.008 395 I CA -0.766 60.423 61.300 -0.185 0.000 1.104 395 I CB 2.206 39.962 38.000 -0.407 0.000 1.264 395 I HN 0.457 nan 8.210 nan 0.000 0.438 396 D N 3.025 123.408 120.400 -0.028 0.000 2.346 396 D HA -0.007 4.811 4.640 0.297 0.000 0.206 396 D C 0.360 176.699 176.300 0.064 0.000 1.001 396 D CA 1.107 55.122 54.000 0.024 0.000 0.871 396 D CB 0.526 41.342 40.800 0.026 0.000 0.943 396 D HN 0.479 nan 8.370 nan 0.000 0.518 397 H N 0.106 119.124 119.070 -0.086 0.000 3.096 397 H HA 0.348 5.084 4.556 0.301 0.000 0.335 397 H C -1.851 173.422 175.328 -0.093 0.000 0.990 397 H CA -0.644 55.359 56.048 -0.076 0.000 1.393 397 H CB 1.443 31.164 29.762 -0.069 0.000 1.742 397 H HN -0.115 nan 8.280 nan 0.000 0.501 398 L N 8.973 129.931 121.223 -0.442 0.000 2.485 398 L HA 0.389 4.907 4.340 0.297 0.000 0.260 398 L C -2.743 173.906 176.870 -0.368 0.000 0.998 398 L CA -1.471 53.155 54.840 -0.357 0.000 0.883 398 L CB 1.698 43.658 42.059 -0.164 0.000 1.196 398 L HN 0.434 nan 8.230 nan 0.000 0.443 399 P HA 0.279 nan 4.420 nan 0.000 0.282 399 P C -0.828 176.382 177.300 -0.150 0.000 1.262 399 P CA -0.065 62.876 63.100 -0.266 0.000 0.773 399 P CB 1.479 33.055 31.700 -0.207 0.000 0.879 400 V N 1.955 121.785 119.914 -0.140 0.000 2.960 400 V HA 0.667 4.965 4.120 0.297 0.000 0.315 400 V C -0.179 175.828 176.094 -0.146 0.000 1.087 400 V CA -1.338 60.886 62.300 -0.128 0.000 0.982 400 V CB 2.401 34.133 31.823 -0.152 0.000 1.039 400 V HN 0.322 nan 8.190 nan 0.000 0.437 401 R N 2.093 122.515 120.500 -0.131 0.000 2.343 401 R HA 0.575 5.093 4.340 0.297 0.000 0.320 401 R C 0.447 176.635 176.300 -0.186 0.000 0.956 401 R CA -0.672 55.349 56.100 -0.131 0.000 0.836 401 R CB 1.918 32.173 30.300 -0.075 0.000 1.151 401 R HN 0.749 nan 8.270 nan 0.000 0.450 402 L N 1.623 122.681 121.223 -0.274 0.000 2.044 402 L HA -0.168 4.350 4.340 0.297 0.000 0.205 402 L C 1.665 178.467 176.870 -0.114 0.000 1.075 402 L CA 1.333 55.923 54.840 -0.416 0.000 0.747 402 L CB -0.293 41.371 42.059 -0.658 0.000 0.903 402 L HN 0.691 nan 8.230 nan 0.000 0.435 403 D N -0.654 119.716 120.400 -0.051 0.000 2.323 403 D HA 0.159 4.977 4.640 0.297 0.000 0.209 403 D C 0.977 177.288 176.300 0.017 0.000 0.973 403 D CA 0.998 55.010 54.000 0.022 0.000 0.874 403 D CB 0.337 41.146 40.800 0.015 0.000 0.930 403 D HN 0.313 nan 8.370 nan 0.000 0.521 404 G N 0.000 108.796 108.800 -0.007 0.000 5.446 404 G HA2 0.000 4.138 3.960 0.297 0.000 0.244 404 G HA3 0.000 4.138 3.960 0.297 0.000 0.244 404 G CA 0.000 45.100 45.100 0.001 0.000 0.502 404 G HN 0.000 nan 8.290 nan 0.000 0.925