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 1adj_1_B DATA FIRST_RESID 2 DATA SEQUENCE TARAVRGTKD LFGKELRMHQ RIVATARKVL EAAGALELVT PIFEETQVFE DATA SEQUENCE KGVGAATDIV RKEMFTFQDR GGRSLTLRPE GTAAMVRAYL EHGMKVWPQP DATA SEQUENCE VRLWMAGPMF RAERPQKGRY RQFHQVNYEA LGSENPILDA EAVVLLYECL DATA SEQUENCE KELGLRRLKV KLSSVGDPED RARYNAYLRE VLSPHREALS EDSKERLEEN DATA SEQUENCE PMRILDSKSE RDQALLKELG VRPMLDFLGE EARAHLKEVE RHLERLSVPY DATA SEQUENCE ELEPALVRGL DYYVRTAFEV HHEEIGAQSA LGGGGRYDGL SELLGGPRVP DATA SEQUENCE GVGFAFGVER VALALEAEGF GLPEEKGPDL YLIPLTEEAV AEAFYLAEAL DATA SEQUENCE RPRLRAEYAL APRKPAKGLE EALKRGAAFA GFLGEDELRA GEVTLKRLAT DATA SEQUENCE GEQVRLSREE VPGYLLQALG 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.702 174.700 0.003 0.000 1.109 2 T CA 0.000 62.101 62.100 0.001 0.000 1.349 2 T CB 0.000 68.868 68.868 -0.000 0.000 0.612 3 A N 2.930 125.751 122.820 0.001 0.000 2.520 3 A HA 0.564 4.883 4.320 -0.002 0.000 0.235 3 A C 0.444 178.033 177.584 0.008 0.000 1.065 3 A CA 0.495 52.534 52.037 0.003 0.000 0.764 3 A CB 0.156 19.155 19.000 -0.001 0.000 1.002 3 A HN 0.352 nan 8.150 nan 0.000 0.502 4 R N -0.014 120.494 120.500 0.014 0.000 2.950 4 R HA 0.675 5.013 4.340 -0.002 0.000 0.253 4 R C -0.277 176.040 176.300 0.028 0.000 1.168 4 R CA -0.365 55.749 56.100 0.023 0.000 1.014 4 R CB 1.676 31.991 30.300 0.026 0.000 1.228 4 R HN 0.862 nan 8.270 nan 0.000 0.487 5 A N 1.236 124.081 122.820 0.042 0.000 2.409 5 A HA 0.316 4.634 4.320 -0.002 0.000 0.267 5 A C 0.636 178.251 177.584 0.052 0.000 1.127 5 A CA -0.537 51.531 52.037 0.052 0.000 0.795 5 A CB -0.015 19.031 19.000 0.078 0.000 1.061 5 A HN 0.522 nan 8.150 nan 0.000 0.502 6 V N 1.167 121.108 119.914 0.044 0.000 2.720 6 V HA 0.171 4.290 4.120 -0.002 0.000 0.307 6 V C 0.729 176.865 176.094 0.070 0.000 1.071 6 V CA -0.440 61.888 62.300 0.046 0.000 1.199 6 V CB -0.358 31.482 31.823 0.029 0.000 0.900 6 V HN 0.944 nan 8.190 nan 0.000 0.494 7 R N 4.098 124.637 120.500 0.064 0.000 2.537 7 R HA 0.380 4.719 4.340 -0.002 0.000 0.281 7 R C 1.351 177.707 176.300 0.094 0.000 0.988 7 R CA 1.434 57.571 56.100 0.063 0.000 1.077 7 R CB -0.323 30.006 30.300 0.049 0.000 0.932 7 R HN 1.997 nan 8.270 nan 0.000 0.409 8 G N 1.918 110.764 108.800 0.077 0.000 2.194 8 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.236 8 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.236 8 G C 0.001 175.054 174.900 0.255 0.000 0.987 8 G CA 0.372 45.548 45.100 0.126 0.000 0.635 8 G HN 1.035 nan 8.290 nan 0.000 0.520 9 T N -1.829 112.853 114.554 0.214 0.000 2.916 9 T HA 0.800 5.149 4.350 -0.002 0.000 0.292 9 T C -0.698 174.130 174.700 0.212 0.000 1.064 9 T CA 0.196 62.448 62.100 0.253 0.000 1.011 9 T CB 2.824 71.807 68.868 0.192 0.000 1.152 9 T HN 1.254 nan 8.240 nan 0.000 0.510 10 K N 0.179 120.716 120.400 0.229 0.000 2.597 10 K HA 0.477 4.795 4.320 -0.002 0.000 0.282 10 K C -1.920 174.786 176.600 0.177 0.000 0.975 10 K CA -1.023 55.376 56.287 0.187 0.000 0.867 10 K CB 1.245 33.858 32.500 0.189 0.000 1.465 10 K HN 0.436 nan 8.250 nan 0.000 0.417 11 D N 1.844 122.353 120.400 0.182 0.000 2.308 11 D HA 0.230 4.869 4.640 -0.002 0.000 0.251 11 D C -0.385 176.045 176.300 0.216 0.000 1.127 11 D CA -0.057 54.074 54.000 0.218 0.000 0.876 11 D CB 1.066 42.031 40.800 0.274 0.000 1.176 11 D HN 0.333 nan 8.370 nan 0.000 0.446 12 L N 3.861 125.172 121.223 0.146 0.000 2.272 12 L HA 0.462 4.800 4.340 -0.002 0.000 0.289 12 L C -0.357 176.600 176.870 0.144 0.000 1.032 12 L CA -0.673 54.165 54.840 -0.004 0.000 0.810 12 L CB 0.054 42.019 42.059 -0.158 0.000 1.205 12 L HN 0.355 nan 8.230 nan 0.000 0.422 13 F N 0.981 120.887 119.950 -0.073 0.000 2.773 13 F HA 0.852 5.378 4.527 -0.002 0.000 0.314 13 F C 0.311 176.087 175.800 -0.041 0.000 1.160 13 F CA -0.328 57.643 58.000 -0.048 0.000 0.920 13 F CB 0.611 39.595 39.000 -0.026 0.000 1.323 13 F HN 0.646 nan 8.300 nan 0.000 0.457 14 G N 1.521 110.404 108.800 0.138 0.000 2.601 14 G HA2 -0.284 3.674 3.960 -0.002 0.000 0.252 14 G HA3 -0.284 3.674 3.960 -0.002 0.000 0.252 14 G C 0.471 175.338 174.900 -0.055 0.000 1.294 14 G CA 0.312 45.425 45.100 0.021 0.000 0.912 14 G HN 1.095 nan 8.290 nan 0.000 0.574 15 K N 0.124 120.486 120.400 -0.063 0.000 2.074 15 K HA -0.164 4.155 4.320 -0.002 0.000 0.209 15 K C 2.458 179.022 176.600 -0.060 0.000 1.048 15 K CA 1.961 58.223 56.287 -0.042 0.000 0.926 15 K CB -0.205 32.278 32.500 -0.028 0.000 0.713 15 K HN 0.612 nan 8.250 nan 0.000 0.444 16 E N 1.060 121.183 120.200 -0.129 0.000 2.058 16 E HA -0.218 4.130 4.350 -0.002 0.000 0.194 16 E C 2.032 178.511 176.600 -0.201 0.000 0.997 16 E CA 0.921 57.235 56.400 -0.143 0.000 0.801 16 E CB -0.008 29.558 29.700 -0.224 0.000 0.746 16 E HN 0.230 nan 8.360 nan 0.000 0.450 17 L N 0.581 121.672 121.223 -0.221 0.000 2.046 17 L HA -0.168 4.171 4.340 -0.002 0.000 0.208 17 L C 2.492 179.328 176.870 -0.057 0.000 1.077 17 L CA 1.505 56.224 54.840 -0.202 0.000 0.747 17 L CB -0.296 41.706 42.059 -0.095 0.000 0.896 17 L HN 0.177 nan 8.230 nan 0.000 0.432 18 R N -0.973 119.516 120.500 -0.018 0.000 2.096 18 R HA -0.229 4.110 4.340 -0.002 0.000 0.235 18 R C 2.099 178.430 176.300 0.053 0.000 1.127 18 R CA 1.700 57.814 56.100 0.023 0.000 0.968 18 R CB -0.302 30.010 30.300 0.020 0.000 0.861 18 R HN 0.263 nan 8.270 nan 0.000 0.440 19 M N -0.143 119.498 119.600 0.069 0.000 2.132 19 M HA -0.139 4.339 4.480 -0.002 0.000 0.263 19 M C 1.687 178.076 176.300 0.148 0.000 1.065 19 M CA 1.772 57.131 55.300 0.098 0.000 1.122 19 M CB -0.298 32.369 32.600 0.112 0.000 1.365 19 M HN 0.205 nan 8.290 nan 0.000 0.411 20 H N -0.979 118.083 119.070 -0.014 0.000 2.352 20 H HA -0.174 4.380 4.556 -0.002 0.000 0.299 20 H C 2.002 177.333 175.328 0.005 0.000 1.097 20 H CA 1.744 57.783 56.048 -0.015 0.000 1.311 20 H CB 0.014 29.732 29.762 -0.074 0.000 1.377 20 H HN 0.565 nan 8.280 nan 0.000 0.504 21 Q N 0.359 120.242 119.800 0.138 0.000 2.119 21 Q HA -0.095 4.243 4.340 -0.002 0.000 0.201 21 Q C 2.425 178.468 176.000 0.071 0.000 0.972 21 Q CA 0.696 56.552 55.803 0.088 0.000 0.847 21 Q CB 0.033 28.809 28.738 0.063 0.000 0.903 21 Q HN 0.384 nan 8.270 nan 0.000 0.433 22 R N 0.399 120.933 120.500 0.057 0.000 2.073 22 R HA -0.106 4.233 4.340 -0.002 0.000 0.234 22 R C 2.296 178.612 176.300 0.026 0.000 1.134 22 R CA 1.232 57.350 56.100 0.031 0.000 0.952 22 R CB -0.322 29.986 30.300 0.014 0.000 0.850 22 R HN 0.270 nan 8.270 nan 0.000 0.433 23 I N 0.245 120.838 120.570 0.039 0.000 2.127 23 I HA -0.293 3.875 4.170 -0.002 0.000 0.241 23 I C 2.277 178.466 176.117 0.120 0.000 1.075 23 I CA 1.340 62.678 61.300 0.063 0.000 1.334 23 I CB -0.324 37.721 38.000 0.075 0.000 1.040 23 I HN -0.010 nan 8.210 nan 0.000 0.405 24 V N 0.987 120.970 119.914 0.115 0.000 2.490 24 V HA -0.265 3.853 4.120 -0.002 0.000 0.250 24 V C 2.677 178.829 176.094 0.097 0.000 1.061 24 V CA 1.803 64.185 62.300 0.138 0.000 1.064 24 V CB -1.064 30.852 31.823 0.155 0.000 0.670 24 V HN 0.496 nan 8.190 nan 0.000 0.461 25 A N -0.056 122.806 122.820 0.070 0.000 1.902 25 A HA -0.223 4.095 4.320 -0.002 0.000 0.217 25 A C 2.422 179.997 177.584 -0.016 0.000 1.181 25 A CA 2.557 54.617 52.037 0.038 0.000 0.623 25 A CB -0.952 18.069 19.000 0.035 0.000 0.818 25 A HN 0.489 nan 8.150 nan 0.000 0.443 26 T N 0.235 114.778 114.554 -0.017 0.000 2.737 26 T HA 0.007 4.356 4.350 -0.002 0.000 0.265 26 T C 2.271 176.925 174.700 -0.077 0.000 1.038 26 T CA 1.606 63.677 62.100 -0.049 0.000 1.144 26 T CB -0.520 68.315 68.868 -0.055 0.000 0.866 26 T HN 0.600 nan 8.240 nan 0.000 0.434 27 A N 1.853 124.656 122.820 -0.029 0.000 1.917 27 A HA -0.190 4.129 4.320 -0.002 0.000 0.219 27 A C 2.278 179.622 177.584 -0.400 0.000 1.182 27 A CA 2.115 54.118 52.037 -0.057 0.000 0.633 27 A CB -0.670 18.406 19.000 0.126 0.000 0.819 27 A HN 0.477 nan 8.150 nan 0.000 0.448 28 R N -0.114 120.085 120.500 -0.502 0.000 2.091 28 R HA -0.188 4.150 4.340 -0.002 0.000 0.238 28 R C 2.277 178.313 176.300 -0.439 0.000 1.136 28 R CA 2.034 57.668 56.100 -0.776 0.000 0.959 28 R CB -0.303 29.852 30.300 -0.242 0.000 0.856 28 R HN 0.559 nan 8.270 nan 0.000 0.437 29 K N 0.400 120.663 120.400 -0.228 0.000 2.002 29 K HA -0.125 4.194 4.320 -0.002 0.000 0.209 29 K C 2.096 178.605 176.600 -0.153 0.000 1.048 29 K CA 1.881 58.082 56.287 -0.143 0.000 0.930 29 K CB -0.166 32.281 32.500 -0.087 0.000 0.714 29 K HN 0.237 nan 8.250 nan 0.000 0.438 30 V N -0.395 119.423 119.914 -0.159 0.000 2.343 30 V HA -0.196 3.923 4.120 -0.002 0.000 0.247 30 V C 2.123 178.121 176.094 -0.161 0.000 1.051 30 V CA 1.253 63.473 62.300 -0.132 0.000 1.036 30 V CB -0.629 31.130 31.823 -0.107 0.000 0.654 30 V HN 0.133 nan 8.190 nan 0.000 0.451 31 L N 0.850 121.919 121.223 -0.255 0.000 2.017 31 L HA -0.059 4.280 4.340 -0.002 0.000 0.208 31 L C 2.796 179.554 176.870 -0.187 0.000 1.073 31 L CA 2.093 56.766 54.840 -0.278 0.000 0.745 31 L CB -1.285 40.485 42.059 -0.481 0.000 0.894 31 L HN 0.454 nan 8.230 nan 0.000 0.432 32 E N -0.913 119.142 120.200 -0.243 0.000 2.274 32 E HA -0.111 4.237 4.350 -0.002 0.000 0.194 32 E C 2.143 178.736 176.600 -0.012 0.000 0.996 32 E CA 0.817 57.181 56.400 -0.060 0.000 0.840 32 E CB -0.095 29.592 29.700 -0.022 0.000 0.772 32 E HN 0.479 nan 8.360 nan 0.000 0.491 33 A N 1.316 124.108 122.820 -0.046 0.000 2.014 33 A HA 0.035 4.354 4.320 -0.002 0.000 0.218 33 A C 2.240 179.822 177.584 -0.003 0.000 1.163 33 A CA 1.234 53.257 52.037 -0.023 0.000 0.652 33 A CB -0.161 18.816 19.000 -0.039 0.000 0.808 33 A HN 0.236 nan 8.150 nan 0.000 0.449 34 A N -1.806 121.012 122.820 -0.003 0.000 2.251 34 A HA 0.429 4.747 4.320 -0.002 0.000 0.209 34 A C 1.637 179.274 177.584 0.089 0.000 1.187 34 A CA 1.117 53.171 52.037 0.028 0.000 0.823 34 A CB -0.779 18.220 19.000 -0.000 0.000 0.846 34 A HN 1.783 nan 8.150 nan 0.000 0.486 35 G N -2.070 106.785 108.800 0.093 0.000 2.159 35 G HA2 0.124 4.083 3.960 -0.002 0.000 0.227 35 G HA3 0.124 4.083 3.960 -0.002 0.000 0.227 35 G C 0.369 175.385 174.900 0.193 0.000 0.986 35 G CA 0.124 45.300 45.100 0.126 0.000 0.651 35 G HN 1.540 nan 8.290 nan 0.000 0.523 36 A N -0.134 122.831 122.820 0.242 0.000 2.440 36 A HA 0.707 5.025 4.320 -0.002 0.000 0.251 36 A C 0.203 178.039 177.584 0.420 0.000 1.089 36 A CA 0.327 52.589 52.037 0.376 0.000 0.779 36 A CB 0.833 20.123 19.000 0.482 0.000 1.022 36 A HN 1.588 nan 8.150 nan 0.000 0.492 37 L N 1.687 123.137 121.223 0.377 0.000 2.295 37 L HA 0.443 4.782 4.340 -0.002 0.000 0.285 37 L C 0.328 177.302 176.870 0.173 0.000 1.035 37 L CA -0.294 54.710 54.840 0.274 0.000 0.806 37 L CB 1.383 43.558 42.059 0.193 0.000 1.214 37 L HN 0.793 nan 8.230 nan 0.000 0.426 38 E N 4.944 125.147 120.200 0.004 0.000 2.290 38 E HA 0.264 4.612 4.350 -0.002 0.000 0.277 38 E C -1.516 174.902 176.600 -0.304 0.000 1.035 38 E CA -0.372 55.715 56.400 -0.521 0.000 0.873 38 E CB 0.744 30.141 29.700 -0.506 0.000 1.029 38 E HN 0.543 nan 8.360 nan 0.000 0.419 39 L N 6.390 127.409 121.223 -0.341 0.000 2.441 39 L HA 0.373 4.711 4.340 -0.002 0.000 0.270 39 L C -1.655 175.088 176.870 -0.211 0.000 0.973 39 L CA -0.799 53.929 54.840 -0.186 0.000 0.842 39 L CB 1.643 43.654 42.059 -0.081 0.000 1.239 39 L HN 0.336 nan 8.230 nan 0.000 0.406 40 V N 4.175 123.986 119.914 -0.171 0.000 2.347 40 V HA 0.482 4.601 4.120 -0.002 0.000 0.280 40 V C 0.725 176.768 176.094 -0.085 0.000 1.021 40 V CA -0.443 61.769 62.300 -0.146 0.000 0.847 40 V CB 1.634 33.370 31.823 -0.144 0.000 0.990 40 V HN 0.883 nan 8.190 nan 0.000 0.444 41 T N 3.791 118.307 114.554 -0.064 0.000 2.918 41 T HA 0.603 4.952 4.350 -0.002 0.000 0.283 41 T C -2.327 172.346 174.700 -0.045 0.000 1.001 41 T CA -1.816 60.265 62.100 -0.032 0.000 1.041 41 T CB 1.241 70.106 68.868 -0.005 0.000 1.028 41 T HN 0.421 nan 8.240 nan 0.000 0.511 42 P HA 0.159 nan 4.420 nan 0.000 0.270 42 P C 0.979 178.204 177.300 -0.125 0.000 1.227 42 P CA -0.567 62.441 63.100 -0.152 0.000 0.788 42 P CB 0.305 31.881 31.700 -0.206 0.000 0.926 43 I N 0.083 120.512 120.570 -0.235 0.000 2.614 43 I HA -0.072 4.097 4.170 -0.002 0.000 0.258 43 I C 0.899 177.075 176.117 0.098 0.000 1.189 43 I CA 1.438 62.713 61.300 -0.042 0.000 1.462 43 I CB -1.054 36.907 38.000 -0.066 0.000 1.092 43 I HN 0.286 nan 8.210 nan 0.000 0.442 44 F N -0.370 119.682 119.950 0.171 0.000 2.599 44 F HA 0.776 5.301 4.527 -0.002 0.000 0.311 44 F C -0.311 175.572 175.800 0.139 0.000 1.076 44 F CA -1.392 56.725 58.000 0.195 0.000 0.937 44 F CB 1.047 40.148 39.000 0.169 0.000 1.282 44 F HN -0.241 nan 8.300 nan 0.000 0.460 45 E N 0.059 120.509 120.200 0.417 0.000 2.423 45 E HA 0.261 4.610 4.350 -0.002 0.000 0.269 45 E C -1.247 175.361 176.600 0.014 0.000 0.948 45 E CA -1.023 55.439 56.400 0.103 0.000 0.802 45 E CB 2.089 31.631 29.700 -0.262 0.000 1.339 45 E HN 0.752 nan 8.360 nan 0.000 0.445 46 E N 0.646 120.794 120.200 -0.088 0.000 2.415 46 E HA -0.036 4.313 4.350 -0.002 0.000 0.263 46 E C 0.812 177.327 176.600 -0.142 0.000 0.995 46 E CA 0.239 56.575 56.400 -0.106 0.000 0.915 46 E CB 0.625 30.261 29.700 -0.107 0.000 0.951 46 E HN 0.402 nan 8.360 nan 0.000 0.449 47 T N 2.996 117.495 114.554 -0.093 0.000 2.760 47 T HA -0.274 4.075 4.350 -0.002 0.000 0.269 47 T C 1.798 176.473 174.700 -0.041 0.000 1.047 47 T CA 2.234 64.320 62.100 -0.024 0.000 1.139 47 T CB -0.049 68.795 68.868 -0.040 0.000 0.855 47 T HN 0.613 nan 8.240 nan 0.000 0.471 48 Q N 0.024 119.771 119.800 -0.088 0.000 2.124 48 Q HA -0.060 4.279 4.340 -0.002 0.000 0.202 48 Q C 2.179 178.100 176.000 -0.132 0.000 0.977 48 Q CA 1.678 57.431 55.803 -0.083 0.000 0.850 48 Q CB -0.699 27.993 28.738 -0.076 0.000 0.901 48 Q HN 0.426 nan 8.270 nan 0.000 0.429 49 V N 0.556 120.309 119.914 -0.270 0.000 2.380 49 V HA -0.249 3.870 4.120 -0.002 0.000 0.251 49 V C 1.861 177.748 176.094 -0.345 0.000 1.063 49 V CA 1.906 63.972 62.300 -0.391 0.000 1.055 49 V CB -0.705 30.728 31.823 -0.650 0.000 0.657 49 V HN 0.329 nan 8.190 nan 0.000 0.455 50 F N -0.015 119.932 119.950 -0.004 0.000 2.387 50 F HA 0.091 4.616 4.527 -0.002 0.000 0.294 50 F C 2.306 178.099 175.800 -0.013 0.000 1.093 50 F CA 0.408 58.407 58.000 -0.001 0.000 1.420 50 F CB -0.682 38.321 39.000 0.004 0.000 1.086 50 F HN 0.163 nan 8.300 nan 0.000 0.531 51 E N 0.852 121.124 120.200 0.120 0.000 2.007 51 E HA -0.198 4.151 4.350 -0.002 0.000 0.194 51 E C 2.069 178.690 176.600 0.036 0.000 0.999 51 E CA 1.472 57.908 56.400 0.060 0.000 0.811 51 E CB -0.181 29.535 29.700 0.026 0.000 0.762 51 E HN 0.352 nan 8.360 nan 0.000 0.450 52 K N 0.212 120.620 120.400 0.014 0.000 2.057 52 K HA -0.086 4.232 4.320 -0.002 0.000 0.206 52 K C 2.251 178.871 176.600 0.034 0.000 1.050 52 K CA 1.115 57.408 56.287 0.009 0.000 0.935 52 K CB -0.331 32.161 32.500 -0.013 0.000 0.715 52 K HN 0.145 nan 8.250 nan 0.000 0.439 53 G N 1.181 110.009 108.800 0.047 0.000 2.484 53 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.215 53 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.215 53 G C 1.526 176.534 174.900 0.180 0.000 1.219 53 G CA 0.915 46.084 45.100 0.116 0.000 0.791 53 G HN 0.118 nan 8.290 nan 0.000 0.550 54 V N 1.078 121.056 119.914 0.107 0.000 2.913 54 V HA 0.312 4.430 4.120 -0.002 0.000 0.260 54 V C 1.411 177.437 176.094 -0.114 0.000 1.098 54 V CA 0.710 62.956 62.300 -0.091 0.000 1.121 54 V CB -1.498 30.291 31.823 -0.056 0.000 0.714 54 V HN 1.121 nan 8.190 nan 0.000 0.487 55 G N -0.183 108.603 108.800 -0.023 0.000 3.322 55 G HA2 0.135 4.093 3.960 -0.002 0.000 0.686 55 G HA3 0.135 4.093 3.960 -0.002 0.000 0.686 55 G C 0.319 175.210 174.900 -0.017 0.000 1.015 55 G CA -0.208 44.880 45.100 -0.020 0.000 0.826 55 G HN 0.746 nan 8.290 nan 0.000 0.538 56 A N 1.294 124.112 122.820 -0.004 0.000 2.259 56 A HA 0.387 4.706 4.320 -0.002 0.000 0.212 56 A C 2.403 179.981 177.584 -0.009 0.000 1.178 56 A CA 2.256 54.291 52.037 -0.004 0.000 0.734 56 A CB -0.136 18.863 19.000 -0.000 0.000 0.774 56 A HN 2.372 nan 8.150 nan 0.000 0.481 57 A N -1.558 121.254 122.820 -0.013 0.000 2.303 57 A HA 0.328 4.646 4.320 -0.002 0.000 0.217 57 A C 1.242 178.813 177.584 -0.021 0.000 1.205 57 A CA 0.809 52.838 52.037 -0.014 0.000 0.875 57 A CB -0.278 18.717 19.000 -0.009 0.000 0.910 57 A HN 0.345 nan 8.150 nan 0.000 0.501 58 T N -0.602 113.933 114.554 -0.032 0.000 2.904 58 T HA 0.249 4.598 4.350 -0.002 0.000 0.290 58 T C 0.705 175.383 174.700 -0.037 0.000 1.018 58 T CA -0.002 62.073 62.100 -0.041 0.000 1.075 58 T CB 0.624 69.450 68.868 -0.069 0.000 0.986 58 T HN 0.289 nan 8.240 nan 0.000 0.523 59 D N 2.572 122.951 120.400 -0.036 0.000 2.123 59 D HA -0.088 4.551 4.640 -0.002 0.000 0.196 59 D C 1.951 178.224 176.300 -0.045 0.000 0.992 59 D CA 1.337 55.316 54.000 -0.035 0.000 0.833 59 D CB -0.168 40.613 40.800 -0.032 0.000 0.954 59 D HN 0.585 nan 8.370 nan 0.000 0.455 60 I N 0.142 120.681 120.570 -0.053 0.000 2.091 60 I HA -0.287 3.881 4.170 -0.002 0.000 0.239 60 I C 2.298 178.380 176.117 -0.057 0.000 1.061 60 I CA 0.921 62.183 61.300 -0.063 0.000 1.317 60 I CB -0.462 37.495 38.000 -0.071 0.000 1.031 60 I HN -0.037 nan 8.210 nan 0.000 0.401 61 V N 0.670 120.560 119.914 -0.040 0.000 2.295 61 V HA -0.261 3.858 4.120 -0.002 0.000 0.246 61 V C 2.547 178.629 176.094 -0.019 0.000 1.049 61 V CA 1.873 64.163 62.300 -0.016 0.000 1.024 61 V CB -0.806 31.017 31.823 0.000 0.000 0.648 61 V HN 0.356 nan 8.190 nan 0.000 0.447 62 R N 0.763 121.249 120.500 -0.024 0.000 2.092 62 R HA -0.111 4.228 4.340 -0.002 0.000 0.231 62 R C 1.680 177.963 176.300 -0.028 0.000 1.119 62 R CA 1.618 57.705 56.100 -0.022 0.000 0.970 62 R CB -0.074 30.213 30.300 -0.020 0.000 0.864 62 R HN 0.688 nan 8.270 nan 0.000 0.440 63 K N -1.500 118.875 120.400 -0.042 0.000 2.637 63 K HA 0.165 4.483 4.320 -0.002 0.000 0.184 63 K C -0.112 176.436 176.600 -0.086 0.000 1.200 63 K CA -0.096 56.161 56.287 -0.051 0.000 1.122 63 K CB 0.728 33.205 32.500 -0.038 0.000 0.926 63 K HN -0.068 nan 8.250 nan 0.000 0.535 64 E N 1.343 121.479 120.200 -0.107 0.000 2.758 64 E HA 0.297 4.646 4.350 -0.002 0.000 0.215 64 E C -0.634 175.825 176.600 -0.235 0.000 0.985 64 E CA -0.186 56.115 56.400 -0.166 0.000 1.102 64 E CB 0.702 30.334 29.700 -0.113 0.000 1.042 64 E HN 0.262 nan 8.360 nan 0.000 0.480 65 M N 0.795 120.279 119.600 -0.193 0.000 2.336 65 M HA 0.360 4.839 4.480 -0.002 0.000 0.342 65 M C -0.747 175.471 176.300 -0.136 0.000 1.128 65 M CA -0.805 54.400 55.300 -0.159 0.000 1.016 65 M CB 1.290 33.855 32.600 -0.058 0.000 1.665 65 M HN -0.075 nan 8.290 nan 0.000 0.445 66 F N 1.533 121.530 119.950 0.078 0.000 2.509 66 F HA 0.225 4.751 4.527 -0.002 0.000 0.350 66 F C 0.946 176.818 175.800 0.120 0.000 1.220 66 F CA -0.099 57.966 58.000 0.107 0.000 1.151 66 F CB 0.157 39.225 39.000 0.113 0.000 1.379 66 F HN 0.363 nan 8.300 nan 0.000 0.610 67 T N 5.012 119.703 114.554 0.228 0.000 2.855 67 T HA 0.757 5.105 4.350 -0.002 0.000 0.281 67 T C -0.679 174.087 174.700 0.111 0.000 1.007 67 T CA -0.358 61.771 62.100 0.049 0.000 1.009 67 T CB 0.543 69.407 68.868 -0.007 0.000 0.983 67 T HN 0.308 nan 8.240 nan 0.000 0.455 68 F N 0.882 120.832 119.950 -0.001 0.000 2.715 68 F HA 0.663 5.189 4.527 -0.002 0.000 0.318 68 F C -0.806 174.956 175.800 -0.064 0.000 1.141 68 F CA -1.345 56.635 58.000 -0.034 0.000 0.950 68 F CB 1.408 40.370 39.000 -0.063 0.000 1.374 68 F HN 0.475 nan 8.300 nan 0.000 0.477 69 Q N 1.240 121.144 119.800 0.174 0.000 2.274 69 Q HA 0.260 4.598 4.340 -0.002 0.000 0.260 69 Q C -1.531 174.548 176.000 0.131 0.000 0.974 69 Q CA -0.892 54.943 55.803 0.053 0.000 0.876 69 Q CB 1.979 30.735 28.738 0.030 0.000 1.297 69 Q HN 0.799 nan 8.270 nan 0.000 0.446 70 D N 1.644 122.062 120.400 0.030 0.000 2.382 70 D HA 0.006 4.645 4.640 -0.002 0.000 0.245 70 D C -0.479 175.834 176.300 0.022 0.000 1.120 70 D CA -0.249 53.771 54.000 0.033 0.000 0.890 70 D CB 0.802 41.590 40.800 -0.021 0.000 1.201 70 D HN 0.221 nan 8.370 nan 0.000 0.433 71 R N 3.057 123.568 120.500 0.019 0.000 2.513 71 R HA 0.333 4.672 4.340 -0.002 0.000 0.333 71 R C 1.173 177.475 176.300 0.004 0.000 0.925 71 R CA 0.874 56.980 56.100 0.008 0.000 1.072 71 R CB -0.551 29.750 30.300 0.002 0.000 0.914 71 R HN 0.819 nan 8.270 nan 0.000 0.408 72 G N 1.348 110.150 108.800 0.002 0.000 2.850 72 G HA2 -0.219 3.739 3.960 -0.002 0.000 0.207 72 G HA3 -0.219 3.739 3.960 -0.002 0.000 0.207 72 G C 0.326 175.224 174.900 -0.004 0.000 1.302 72 G CA -0.020 45.079 45.100 -0.001 0.000 0.832 72 G HN 1.011 nan 8.290 nan 0.000 0.543 73 G N -1.363 107.432 108.800 -0.007 0.000 2.570 73 G HA2 0.711 4.670 3.960 -0.002 0.000 0.310 73 G HA3 0.711 4.670 3.960 -0.002 0.000 0.310 73 G C -0.530 174.354 174.900 -0.027 0.000 1.266 73 G CA 0.414 45.505 45.100 -0.015 0.000 0.825 73 G HN 1.245 nan 8.290 nan 0.000 0.483 74 R N -1.612 118.866 120.500 -0.036 0.000 1.168 74 R HA -0.087 4.252 4.340 -0.002 0.000 0.418 74 R C -0.581 175.664 176.300 -0.092 0.000 1.353 74 R CA 0.696 56.762 56.100 -0.057 0.000 1.272 74 R CB -0.996 29.272 30.300 -0.052 0.000 3.598 74 R HN 0.768 nan 8.270 nan 0.000 0.493 75 S N 2.704 118.337 115.700 -0.113 0.000 2.442 75 S HA 0.621 5.090 4.470 -0.002 0.000 0.297 75 S C -0.703 173.746 174.600 -0.251 0.000 1.131 75 S CA -0.834 57.264 58.200 -0.169 0.000 1.092 75 S CB 0.672 63.804 63.200 -0.114 0.000 0.998 75 S HN 0.303 nan 8.310 nan 0.000 0.478 76 L N 3.965 124.896 121.223 -0.487 0.000 2.342 76 L HA 0.667 5.006 4.340 -0.002 0.000 0.271 76 L C 0.177 176.622 176.870 -0.708 0.000 1.008 76 L CA -0.177 54.297 54.840 -0.609 0.000 0.818 76 L CB 1.901 43.413 42.059 -0.912 0.000 1.296 76 L HN 0.637 nan 8.230 nan 0.000 0.427 77 T N 2.414 116.829 114.554 -0.233 0.000 2.916 77 T HA 0.475 4.824 4.350 -0.002 0.000 0.298 77 T C -0.672 174.198 174.700 0.284 0.000 1.031 77 T CA -0.548 61.559 62.100 0.012 0.000 0.993 77 T CB 1.564 70.559 68.868 0.213 0.000 1.045 77 T HN 0.120 nan 8.240 nan 0.000 0.454 78 L N 3.853 125.246 121.223 0.284 0.000 2.500 78 L HA 0.218 4.557 4.340 -0.002 0.000 0.272 78 L C 1.252 178.275 176.870 0.255 0.000 1.149 78 L CA 0.108 55.140 54.840 0.320 0.000 0.897 78 L CB -0.052 42.129 42.059 0.203 0.000 1.178 78 L HN 0.519 nan 8.230 nan 0.000 0.473 79 R N 8.000 128.666 120.500 0.277 0.000 2.501 79 R HA -0.057 4.281 4.340 -0.002 0.000 0.319 79 R C -1.905 174.287 176.300 -0.181 0.000 0.913 79 R CA -0.337 55.704 56.100 -0.098 0.000 1.104 79 R CB 0.403 30.814 30.300 0.185 0.000 0.901 79 R HN 0.435 nan 8.270 nan 0.000 0.407 80 P HA 0.081 nan 4.420 nan 0.000 0.252 80 P C -0.317 176.876 177.300 -0.179 0.000 1.218 80 P CA 0.567 63.514 63.100 -0.254 0.000 0.807 80 P CB 0.539 32.069 31.700 -0.284 0.000 1.072 81 E N -0.911 119.154 120.200 -0.225 0.000 2.401 81 E HA 0.309 4.657 4.350 -0.002 0.000 0.280 81 E C -0.381 176.212 176.600 -0.012 0.000 1.039 81 E CA -0.453 55.906 56.400 -0.068 0.000 0.814 81 E CB 0.756 30.454 29.700 -0.003 0.000 1.275 81 E HN -0.119 nan 8.360 nan 0.000 0.448 82 G N 0.656 109.455 108.800 -0.002 0.000 2.595 82 G HA2 -0.053 3.905 3.960 -0.002 0.000 0.213 82 G HA3 -0.053 3.905 3.960 -0.002 0.000 0.213 82 G C 1.029 175.915 174.900 -0.023 0.000 1.141 82 G CA 1.135 46.234 45.100 -0.001 0.000 0.806 82 G HN 0.550 nan 8.290 nan 0.000 0.530 83 T N 2.254 116.757 114.554 -0.085 0.000 2.597 83 T HA -0.192 4.157 4.350 -0.002 0.000 0.267 83 T C 2.799 177.331 174.700 -0.281 0.000 1.053 83 T CA 1.893 63.815 62.100 -0.297 0.000 1.165 83 T CB -0.544 67.954 68.868 -0.616 0.000 0.863 83 T HN 0.347 nan 8.240 nan 0.000 0.427 84 A N 1.609 124.355 122.820 -0.122 0.000 1.908 84 A HA 0.065 4.384 4.320 -0.002 0.000 0.218 84 A C 2.701 180.239 177.584 -0.078 0.000 1.181 84 A CA 2.150 54.138 52.037 -0.082 0.000 0.627 84 A CB -1.255 17.802 19.000 0.095 0.000 0.818 84 A HN 0.566 nan 8.150 nan 0.000 0.445 85 A N -0.856 121.972 122.820 0.013 0.000 1.902 85 A HA -0.135 4.183 4.320 -0.002 0.000 0.217 85 A C 2.210 179.775 177.584 -0.032 0.000 1.181 85 A CA 1.977 54.009 52.037 -0.008 0.000 0.623 85 A CB -0.499 18.556 19.000 0.091 0.000 0.818 85 A HN 0.456 nan 8.150 nan 0.000 0.443 86 M N -0.371 119.201 119.600 -0.047 0.000 2.080 86 M HA -0.120 4.358 4.480 -0.002 0.000 0.260 86 M C 2.219 178.504 176.300 -0.024 0.000 1.068 86 M CA 1.387 56.662 55.300 -0.042 0.000 1.109 86 M CB -1.304 31.250 32.600 -0.078 0.000 1.342 86 M HN 0.259 nan 8.290 nan 0.000 0.405 87 V N 0.007 119.871 119.914 -0.083 0.000 2.427 87 V HA -0.216 3.903 4.120 -0.002 0.000 0.248 87 V C 2.653 178.737 176.094 -0.017 0.000 1.051 87 V CA 1.465 63.722 62.300 -0.071 0.000 1.048 87 V CB -0.874 30.864 31.823 -0.141 0.000 0.666 87 V HN 0.437 nan 8.190 nan 0.000 0.456 88 R N 0.702 121.169 120.500 -0.055 0.000 2.081 88 R HA -0.147 4.192 4.340 -0.002 0.000 0.235 88 R C 2.255 178.524 176.300 -0.051 0.000 1.131 88 R CA 1.946 58.004 56.100 -0.069 0.000 0.960 88 R CB -0.614 29.620 30.300 -0.110 0.000 0.856 88 R HN 0.483 nan 8.270 nan 0.000 0.436 89 A N -0.094 122.722 122.820 -0.007 0.000 1.873 89 A HA -0.208 4.111 4.320 -0.002 0.000 0.215 89 A C 2.119 179.739 177.584 0.059 0.000 1.186 89 A CA 1.301 53.370 52.037 0.052 0.000 0.616 89 A CB -0.939 18.134 19.000 0.122 0.000 0.823 89 A HN 0.528 nan 8.150 nan 0.000 0.442 90 Y N 0.128 120.372 120.300 -0.094 0.000 2.114 90 Y HA -0.239 4.310 4.550 -0.002 0.000 0.282 90 Y C 1.984 177.769 175.900 -0.192 0.000 1.165 90 Y CA 1.961 59.954 58.100 -0.178 0.000 1.148 90 Y CB -0.346 38.018 38.460 -0.161 0.000 0.972 90 Y HN 0.213 nan 8.280 nan 0.000 0.504 91 L N 0.810 122.091 121.223 0.098 0.000 1.976 91 L HA -0.228 4.110 4.340 -0.002 0.000 0.209 91 L C 2.582 179.368 176.870 -0.139 0.000 1.071 91 L CA 2.354 57.194 54.840 -0.000 0.000 0.746 91 L CB -1.482 40.578 42.059 0.002 0.000 0.890 91 L HN 0.412 nan 8.230 nan 0.000 0.432 92 E N -1.206 118.879 120.200 -0.192 0.000 2.097 92 E HA -0.253 4.096 4.350 -0.002 0.000 0.196 92 E C 1.555 177.922 176.600 -0.388 0.000 1.000 92 E CA 1.344 57.556 56.400 -0.313 0.000 0.804 92 E CB -0.038 29.404 29.700 -0.429 0.000 0.740 92 E HN 0.584 nan 8.360 nan 0.000 0.454 93 H N -0.996 117.982 119.070 -0.153 0.000 2.536 93 H HA 0.153 4.707 4.556 -0.002 0.000 0.276 93 H C 0.929 176.113 175.328 -0.239 0.000 1.019 93 H CA 0.709 56.669 56.048 -0.148 0.000 1.159 93 H CB 0.398 30.089 29.762 -0.118 0.000 1.373 93 H HN 0.380 nan 8.280 nan 0.000 0.584 94 G N 1.695 110.354 108.800 -0.235 0.000 2.323 94 G HA2 -0.343 3.615 3.960 -0.002 0.000 0.292 94 G HA3 -0.343 3.615 3.960 -0.002 0.000 0.292 94 G C 1.130 175.693 174.900 -0.563 0.000 1.040 94 G CA 0.603 45.536 45.100 -0.278 0.000 0.942 94 G HN 0.404 nan 8.290 nan 0.000 0.506 95 M N -0.489 118.477 119.600 -1.057 0.000 2.460 95 M HA -0.054 4.425 4.480 -0.002 0.000 0.263 95 M C 2.656 178.214 176.300 -1.236 0.000 1.071 95 M CA 1.955 56.170 55.300 -1.808 0.000 1.096 95 M CB -0.232 31.078 32.600 -2.151 0.000 1.408 95 M HN 0.635 nan 8.290 nan 0.000 0.463 96 K N 0.417 120.316 120.400 -0.834 0.000 2.281 96 K HA -0.115 4.204 4.320 -0.002 0.000 0.203 96 K C 1.380 177.909 176.600 -0.119 0.000 1.046 96 K CA 1.705 57.843 56.287 -0.249 0.000 0.938 96 K CB -0.754 31.713 32.500 -0.056 0.000 0.737 96 K HN 0.440 nan 8.250 nan 0.000 0.458 97 V N -2.841 116.985 119.914 -0.146 0.000 3.235 97 V HA 0.112 4.231 4.120 -0.002 0.000 0.259 97 V C 0.541 176.755 176.094 0.199 0.000 1.133 97 V CA -0.630 61.693 62.300 0.038 0.000 1.128 97 V CB -0.785 31.079 31.823 0.069 0.000 0.757 97 V HN 0.203 nan 8.190 nan 0.000 0.469 98 W N 1.840 123.107 121.300 -0.056 0.000 2.093 98 W HA 0.477 5.135 4.660 -0.002 0.000 0.352 98 W C -2.106 174.416 176.519 0.005 0.000 1.294 98 W CA -2.759 54.569 57.345 -0.029 0.000 1.290 98 W CB -0.946 28.490 29.460 -0.041 0.000 1.149 98 W HN 0.065 nan 8.180 nan 0.000 0.606 99 P HA -0.029 nan 4.420 nan 0.000 0.267 99 P C -0.335 177.072 177.300 0.178 0.000 1.209 99 P CA 0.265 63.462 63.100 0.161 0.000 0.763 99 P CB 0.778 32.544 31.700 0.110 0.000 0.816 100 Q N 3.713 123.598 119.800 0.142 0.000 2.260 100 Q HA 0.402 4.741 4.340 -0.002 0.000 0.242 100 Q C -1.612 174.454 176.000 0.110 0.000 0.932 100 Q CA -1.546 54.340 55.803 0.137 0.000 0.891 100 Q CB -0.028 28.778 28.738 0.114 0.000 1.222 100 Q HN 0.480 nan 8.270 nan 0.000 0.453 101 P HA 0.271 nan 4.420 nan 0.000 0.284 101 P C -0.778 176.619 177.300 0.161 0.000 1.258 101 P CA -0.521 62.649 63.100 0.117 0.000 0.824 101 P CB 0.955 32.703 31.700 0.081 0.000 1.038 102 V N 3.723 123.756 119.914 0.198 0.000 2.385 102 V HA 0.238 4.356 4.120 -0.002 0.000 0.269 102 V C 0.916 177.112 176.094 0.171 0.000 1.043 102 V CA -0.377 62.072 62.300 0.248 0.000 0.906 102 V CB 0.014 32.028 31.823 0.318 0.000 0.995 102 V HN 0.471 nan 8.190 nan 0.000 0.467 103 R N 5.639 126.248 120.500 0.182 0.000 2.229 103 R HA 0.718 5.057 4.340 -0.002 0.000 0.328 103 R C -1.035 175.370 176.300 0.176 0.000 1.009 103 R CA -0.404 55.776 56.100 0.133 0.000 0.864 103 R CB 1.152 31.612 30.300 0.266 0.000 1.085 103 R HN 0.588 nan 8.270 nan 0.000 0.453 104 L N 3.509 124.775 121.223 0.073 0.000 2.370 104 L HA 0.669 5.007 4.340 -0.002 0.000 0.266 104 L C -0.670 176.311 176.870 0.185 0.000 1.002 104 L CA -0.941 53.975 54.840 0.127 0.000 0.818 104 L CB 1.735 43.825 42.059 0.052 0.000 1.325 104 L HN 0.663 nan 8.230 nan 0.000 0.418 105 W N 3.524 124.849 121.300 0.042 0.000 3.167 105 W HA 0.777 5.435 4.660 -0.002 0.000 0.324 105 W C -1.724 174.798 176.519 0.005 0.000 1.230 105 W CA -1.072 56.294 57.345 0.035 0.000 1.184 105 W CB 1.788 31.320 29.460 0.121 0.000 1.414 105 W HN 0.647 nan 8.180 nan 0.000 0.551 106 M N 2.421 121.911 119.600 -0.183 0.000 2.732 106 M HA 0.825 5.304 4.480 -0.002 0.000 0.272 106 M C -2.139 174.083 176.300 -0.131 0.000 1.203 106 M CA -0.583 54.410 55.300 -0.513 0.000 0.841 106 M CB 2.059 34.457 32.600 -0.336 0.000 1.685 106 M HN 0.747 nan 8.290 nan 0.000 0.492 107 A N 0.929 123.654 122.820 -0.158 0.000 2.381 107 A HA 0.984 5.303 4.320 -0.002 0.000 0.299 107 A C -0.518 177.036 177.584 -0.050 0.000 1.049 107 A CA 0.074 52.102 52.037 -0.015 0.000 0.715 107 A CB 1.356 20.438 19.000 0.136 0.000 1.222 107 A HN 1.627 nan 8.150 nan 0.000 0.428 108 G N 1.524 110.292 108.800 -0.055 0.000 2.495 108 G HA2 0.750 4.709 3.960 -0.002 0.000 0.294 108 G HA3 0.750 4.709 3.960 -0.002 0.000 0.294 108 G C -3.494 171.315 174.900 -0.151 0.000 1.397 108 G CA -0.855 44.221 45.100 -0.039 0.000 0.790 108 G HN 0.521 nan 8.290 nan 0.000 0.486 109 P HA 0.428 nan 4.420 nan 0.000 0.275 109 P C -0.867 175.765 177.300 -1.113 0.000 1.228 109 P CA -0.119 62.479 63.100 -0.838 0.000 0.786 109 P CB 1.343 32.678 31.700 -0.608 0.000 0.927 110 M N 2.468 121.123 119.600 -1.576 0.000 2.530 110 M HA 0.475 4.954 4.480 -0.002 0.000 0.307 110 M C -0.720 174.618 176.300 -1.603 0.000 1.161 110 M CA -0.561 53.858 55.300 -1.467 0.000 0.903 110 M CB 1.521 33.268 32.600 -1.422 0.000 1.711 110 M HN 0.218 nan 8.290 nan 0.000 0.451 111 F N 0.959 120.769 119.950 -0.234 0.000 2.507 111 F HA 0.699 5.224 4.527 -0.002 0.000 0.325 111 F C -0.079 175.823 175.800 0.169 0.000 1.116 111 F CA -0.800 57.260 58.000 0.099 0.000 0.930 111 F CB 1.683 40.846 39.000 0.271 0.000 1.146 111 F HN 0.424 nan 8.300 nan 0.000 0.447 112 R N 1.486 122.215 120.500 0.381 0.000 2.502 112 R HA 0.665 5.004 4.340 -0.002 0.000 0.298 112 R C -0.928 175.261 176.300 -0.184 0.000 1.018 112 R CA -0.677 55.470 56.100 0.079 0.000 0.899 112 R CB 1.885 32.287 30.300 0.169 0.000 1.181 112 R HN 0.791 nan 8.270 nan 0.000 0.444 113 A N 3.767 126.141 122.820 -0.742 0.000 2.655 113 A HA 0.161 4.480 4.320 -0.002 0.000 0.297 113 A C -0.367 177.059 177.584 -0.263 0.000 1.461 113 A CA 0.191 51.716 52.037 -0.853 0.000 1.146 113 A CB -0.158 18.219 19.000 -1.038 0.000 1.108 113 A HN 0.704 nan 8.150 nan 0.000 0.550 114 E N 1.112 121.266 120.200 -0.077 0.000 2.207 114 E HA 0.294 4.642 4.350 -0.002 0.000 0.270 114 E C -0.067 176.540 176.600 0.013 0.000 0.927 114 E CA -1.031 55.356 56.400 -0.022 0.000 0.799 114 E CB 1.625 31.330 29.700 0.008 0.000 1.172 114 E HN 0.680 nan 8.360 nan 0.000 0.404 115 R N 3.541 124.042 120.500 0.003 0.000 2.488 115 R HA 0.020 4.358 4.340 -0.002 0.000 0.317 115 R C -1.921 174.395 176.300 0.025 0.000 0.941 115 R CA -0.856 55.252 56.100 0.014 0.000 1.076 115 R CB 0.160 30.462 30.300 0.005 0.000 0.917 115 R HN 0.230 nan 8.270 nan 0.000 0.407 116 P HA -0.068 nan 4.420 nan 0.000 0.262 116 P C -1.306 176.007 177.300 0.022 0.000 1.199 116 P CA 0.396 63.520 63.100 0.039 0.000 0.763 116 P CB 0.535 32.264 31.700 0.049 0.000 0.790 117 Q N 1.980 121.788 119.800 0.014 0.000 3.293 117 Q HA 0.084 4.423 4.340 -0.002 0.000 0.125 117 Q C 0.055 176.052 176.000 -0.005 0.000 0.561 117 Q CA -0.679 55.127 55.803 0.005 0.000 1.020 117 Q CB -0.784 27.956 28.738 0.004 0.000 1.481 117 Q HN 0.252 nan 8.270 nan 0.000 0.359 118 K N -0.354 120.041 120.400 -0.009 0.000 10.883 118 K HA -0.389 3.930 4.320 -0.002 0.000 0.526 118 K C 1.297 177.871 176.600 -0.043 0.000 0.382 118 K CA 2.498 58.764 56.287 -0.035 0.000 1.943 118 K CB -2.000 30.475 32.500 -0.042 0.000 0.766 118 K HN 1.022 nan 8.250 nan 0.000 1.214 119 G N 0.477 109.257 108.800 -0.032 0.000 4.862 119 G HA2 -0.428 3.531 3.960 -0.002 0.000 0.344 119 G HA3 -0.428 3.531 3.960 -0.002 0.000 0.344 119 G C 0.785 175.655 174.900 -0.050 0.000 1.365 119 G CA 1.690 46.773 45.100 -0.027 0.000 1.066 119 G HN 0.399 nan 8.290 nan 0.000 0.808 120 R N -2.666 117.790 120.500 -0.074 0.000 4.553 120 R HA 0.315 4.654 4.340 -0.002 0.000 0.091 120 R C -1.043 175.103 176.300 -0.256 0.000 0.590 120 R CA 0.350 56.367 56.100 -0.138 0.000 0.554 120 R CB -0.309 29.985 30.300 -0.010 0.000 0.733 120 R HN 0.503 nan 8.270 nan 0.000 0.352 121 Y N 0.496 120.824 120.300 0.047 0.000 2.442 121 Y HA 0.466 5.015 4.550 -0.002 0.000 0.344 121 Y C 1.009 177.029 175.900 0.200 0.000 0.976 121 Y CA -0.533 57.646 58.100 0.132 0.000 1.040 121 Y CB 2.297 40.861 38.460 0.174 0.000 1.228 121 Y HN 0.126 nan 8.280 nan 0.000 0.451 122 R N 0.357 121.115 120.500 0.430 0.000 2.237 122 R HA 0.118 4.457 4.340 -0.002 0.000 0.195 122 R C -0.172 176.447 176.300 0.533 0.000 0.956 122 R CA 0.343 56.723 56.100 0.466 0.000 1.029 122 R CB 0.652 31.237 30.300 0.474 0.000 0.972 122 R HN 0.585 nan 8.270 nan 0.000 0.493 123 Q N 0.788 120.850 119.800 0.437 0.000 2.303 123 Q HA 0.268 4.607 4.340 -0.002 0.000 0.267 123 Q C -1.506 174.523 176.000 0.047 0.000 1.011 123 Q CA -0.716 55.182 55.803 0.159 0.000 0.740 123 Q CB 0.987 29.854 28.738 0.215 0.000 1.250 123 Q HN 0.013 nan 8.270 nan 0.000 0.458 124 F N -0.121 119.621 119.950 -0.348 0.000 2.679 124 F HA 0.718 5.244 4.527 -0.002 0.000 0.341 124 F C -1.240 174.173 175.800 -0.644 0.000 1.095 124 F CA -1.149 56.596 58.000 -0.425 0.000 1.004 124 F CB 1.013 39.827 39.000 -0.310 0.000 1.388 124 F HN 0.410 nan 8.300 nan 0.000 0.505 125 H N -0.377 118.588 119.070 -0.175 0.000 2.600 125 H HA 0.553 5.108 4.556 -0.002 0.000 0.357 125 H C -1.186 174.062 175.328 -0.133 0.000 1.106 125 H CA -0.775 55.132 56.048 -0.235 0.000 1.193 125 H CB 1.925 31.614 29.762 -0.120 0.000 1.594 125 H HN 0.698 nan 8.280 nan 0.000 0.526 126 Q N 0.961 120.700 119.800 -0.101 0.000 2.421 126 Q HA 0.662 5.001 4.340 -0.002 0.000 0.280 126 Q C -1.716 174.149 176.000 -0.225 0.000 1.085 126 Q CA -1.191 54.537 55.803 -0.126 0.000 0.807 126 Q CB 2.189 30.918 28.738 -0.016 0.000 1.405 126 Q HN 0.355 nan 8.270 nan 0.000 0.419 127 V N 2.281 121.898 119.914 -0.495 0.000 2.465 127 V HA 0.359 4.477 4.120 -0.002 0.000 0.279 127 V C -0.624 175.306 176.094 -0.274 0.000 1.045 127 V CA -0.443 61.607 62.300 -0.416 0.000 0.938 127 V CB 1.108 32.438 31.823 -0.823 0.000 0.986 127 V HN 0.873 nan 8.190 nan 0.000 0.467 128 N N 2.983 121.628 118.700 -0.092 0.000 2.346 128 N HA 0.486 5.225 4.740 -0.002 0.000 0.289 128 N C -1.553 173.918 175.510 -0.065 0.000 1.027 128 N CA -0.564 52.420 53.050 -0.110 0.000 0.864 128 N CB 1.458 39.898 38.487 -0.079 0.000 1.370 128 N HN 0.628 nan 8.380 nan 0.000 0.481 129 Y N 2.081 122.103 120.300 -0.464 0.000 2.429 129 Y HA 0.670 5.218 4.550 -0.002 0.000 0.342 129 Y C -1.149 174.653 175.900 -0.164 0.000 1.004 129 Y CA -0.667 57.212 58.100 -0.368 0.000 1.075 129 Y CB 1.686 39.647 38.460 -0.831 0.000 1.214 129 Y HN 0.489 nan 8.280 nan 0.000 0.455 130 E N 2.990 122.669 120.200 -0.868 0.000 2.304 130 E HA 0.724 5.073 4.350 -0.002 0.000 0.277 130 E C -1.780 174.426 176.600 -0.655 0.000 0.898 130 E CA -0.562 55.506 56.400 -0.553 0.000 0.764 130 E CB 1.940 31.518 29.700 -0.202 0.000 1.216 130 E HN 0.733 nan 8.360 nan 0.000 0.419 131 A N 4.386 126.970 122.820 -0.392 0.000 2.310 131 A HA 0.713 5.032 4.320 -0.002 0.000 0.304 131 A C -1.215 176.295 177.584 -0.124 0.000 1.231 131 A CA -0.501 51.424 52.037 -0.186 0.000 0.799 131 A CB 0.152 19.134 19.000 -0.029 0.000 1.162 131 A HN 0.500 nan 8.150 nan 0.000 0.486 132 L N 1.440 122.599 121.223 -0.106 0.000 2.333 132 L HA 0.789 5.128 4.340 -0.002 0.000 0.269 132 L C 1.187 177.979 176.870 -0.130 0.000 1.010 132 L CA 0.004 54.714 54.840 -0.218 0.000 0.818 132 L CB 1.991 43.770 42.059 -0.467 0.000 1.306 132 L HN 1.156 nan 8.230 nan 0.000 0.430 133 G N 0.840 109.528 108.800 -0.187 0.000 2.144 133 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.218 133 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.218 133 G C -0.064 174.825 174.900 -0.019 0.000 0.988 133 G CA 0.158 45.226 45.100 -0.053 0.000 0.659 133 G HN 0.713 nan 8.290 nan 0.000 0.522 134 S N -1.250 114.425 115.700 -0.042 0.000 2.535 134 S HA 0.561 5.030 4.470 -0.002 0.000 0.272 134 S C 0.319 174.915 174.600 -0.007 0.000 1.149 134 S CA 0.557 58.753 58.200 -0.007 0.000 0.888 134 S CB 1.811 65.025 63.200 0.023 0.000 1.110 134 S HN 0.423 nan 8.310 nan 0.000 0.463 135 E N 2.827 123.040 120.200 0.022 0.000 2.442 135 E HA 0.157 4.506 4.350 -0.002 0.000 0.195 135 E C 0.463 177.170 176.600 0.177 0.000 1.030 135 E CA 0.230 56.666 56.400 0.060 0.000 0.869 135 E CB 0.060 29.784 29.700 0.040 0.000 0.857 135 E HN 0.578 nan 8.360 nan 0.000 0.505 136 N N 1.945 120.713 118.700 0.112 0.000 2.365 136 N HA -0.067 4.671 4.740 -0.002 0.000 0.265 136 N C -1.706 173.854 175.510 0.084 0.000 1.288 136 N CA -0.547 52.558 53.050 0.091 0.000 0.869 136 N CB 1.079 39.596 38.487 0.050 0.000 1.071 136 N HN 0.108 nan 8.380 nan 0.000 0.480 137 P HA -0.103 nan 4.420 nan 0.000 0.231 137 P C 1.541 178.857 177.300 0.027 0.000 1.158 137 P CA 0.752 63.725 63.100 -0.211 0.000 0.763 137 P CB 0.328 31.650 31.700 -0.630 0.000 0.805 138 I N -0.506 120.081 120.570 0.029 0.000 2.315 138 I HA -0.207 3.962 4.170 -0.002 0.000 0.248 138 I C 2.469 178.567 176.117 -0.031 0.000 1.117 138 I CA 1.128 62.369 61.300 -0.099 0.000 1.404 138 I CB -0.435 37.460 38.000 -0.174 0.000 1.071 138 I HN -0.106 nan 8.210 nan 0.000 0.419 139 L N 0.162 121.405 121.223 0.033 0.000 2.093 139 L HA -0.222 4.117 4.340 -0.002 0.000 0.208 139 L C 1.923 178.863 176.870 0.116 0.000 1.085 139 L CA 1.358 56.251 54.840 0.088 0.000 0.755 139 L CB -0.756 41.362 42.059 0.098 0.000 0.904 139 L HN 0.231 nan 8.230 nan 0.000 0.435 140 D N 0.477 120.936 120.400 0.099 0.000 2.117 140 D HA -0.146 4.493 4.640 -0.002 0.000 0.198 140 D C 2.285 178.555 176.300 -0.050 0.000 0.982 140 D CA 1.370 55.424 54.000 0.090 0.000 0.828 140 D CB -0.118 40.758 40.800 0.127 0.000 0.967 140 D HN 0.291 nan 8.370 nan 0.000 0.464 141 A N 0.711 123.505 122.820 -0.042 0.000 1.877 141 A HA -0.249 4.069 4.320 -0.002 0.000 0.216 141 A C 2.108 179.623 177.584 -0.117 0.000 1.186 141 A CA 1.810 53.787 52.037 -0.100 0.000 0.620 141 A CB -0.728 18.273 19.000 0.003 0.000 0.822 141 A HN 0.260 nan 8.150 nan 0.000 0.443 142 E N -0.162 120.009 120.200 -0.048 0.000 2.058 142 E HA -0.175 4.173 4.350 -0.002 0.000 0.194 142 E C 2.160 178.764 176.600 0.007 0.000 0.997 142 E CA 1.217 57.607 56.400 -0.017 0.000 0.801 142 E CB -0.290 29.437 29.700 0.044 0.000 0.746 142 E HN 0.535 nan 8.360 nan 0.000 0.450 143 A N 0.411 123.304 122.820 0.122 0.000 1.908 143 A HA -0.171 4.147 4.320 -0.002 0.000 0.218 143 A C 2.406 179.963 177.584 -0.046 0.000 1.181 143 A CA 1.702 53.928 52.037 0.316 0.000 0.627 143 A CB -0.705 18.634 19.000 0.566 0.000 0.818 143 A HN 0.242 nan 8.150 nan 0.000 0.445 144 V N -0.345 119.301 119.914 -0.447 0.000 2.358 144 V HA -0.205 3.914 4.120 -0.002 0.000 0.246 144 V C 2.536 178.432 176.094 -0.330 0.000 1.047 144 V CA 1.893 63.769 62.300 -0.706 0.000 1.035 144 V CB -0.766 30.571 31.823 -0.810 0.000 0.658 144 V HN 0.382 nan 8.190 nan 0.000 0.452 145 V N -0.235 119.552 119.914 -0.212 0.000 2.427 145 V HA -0.209 3.910 4.120 -0.002 0.000 0.248 145 V C 2.298 178.348 176.094 -0.075 0.000 1.051 145 V CA 1.636 63.882 62.300 -0.089 0.000 1.048 145 V CB -0.588 31.195 31.823 -0.067 0.000 0.666 145 V HN 0.422 nan 8.190 nan 0.000 0.456 146 L N -0.596 120.546 121.223 -0.135 0.000 2.017 146 L HA -0.180 4.159 4.340 -0.002 0.000 0.208 146 L C 2.502 179.216 176.870 -0.259 0.000 1.073 146 L CA 1.382 56.136 54.840 -0.143 0.000 0.745 146 L CB -0.644 41.336 42.059 -0.131 0.000 0.894 146 L HN 0.352 nan 8.230 nan 0.000 0.432 147 L N -0.886 119.932 121.223 -0.675 0.000 2.017 147 L HA -0.279 4.060 4.340 -0.002 0.000 0.208 147 L C 2.495 179.171 176.870 -0.323 0.000 1.073 147 L CA 1.850 56.151 54.840 -0.898 0.000 0.745 147 L CB -0.896 40.517 42.059 -1.076 0.000 0.894 147 L HN 0.174 nan 8.230 nan 0.000 0.432 148 Y N 0.552 120.666 120.300 -0.310 0.000 2.128 148 Y HA -0.220 4.328 4.550 -0.002 0.000 0.284 148 Y C 2.483 178.279 175.900 -0.174 0.000 1.154 148 Y CA 2.145 60.127 58.100 -0.196 0.000 1.149 148 Y CB -0.179 38.192 38.460 -0.148 0.000 0.976 148 Y HN 0.304 nan 8.280 nan 0.000 0.505 149 E N -0.749 119.347 120.200 -0.173 0.000 2.106 149 E HA -0.196 4.152 4.350 -0.002 0.000 0.192 149 E C 2.477 178.940 176.600 -0.228 0.000 0.984 149 E CA 1.204 57.472 56.400 -0.221 0.000 0.806 149 E CB -0.885 28.750 29.700 -0.108 0.000 0.750 149 E HN 0.524 nan 8.360 nan 0.000 0.458 150 C N 0.531 119.715 119.300 -0.193 0.000 2.413 150 C HA -0.123 4.335 4.460 -0.002 0.000 0.276 150 C C 2.786 177.602 174.990 -0.290 0.000 1.248 150 C CA 0.609 59.527 59.018 -0.167 0.000 1.742 150 C CB -1.120 26.596 27.740 -0.040 0.000 2.017 150 C HN 0.354 nan 8.230 nan 0.000 0.481 151 L N 0.077 121.071 121.223 -0.382 0.000 2.131 151 L HA -0.046 4.293 4.340 -0.002 0.000 0.206 151 L C 2.541 179.196 176.870 -0.358 0.000 1.087 151 L CA 1.080 55.680 54.840 -0.401 0.000 0.767 151 L CB -0.646 41.184 42.059 -0.382 0.000 0.917 151 L HN 0.141 nan 8.230 nan 0.000 0.441 152 K N 0.482 120.635 120.400 -0.412 0.000 2.057 152 K HA -0.159 4.160 4.320 -0.002 0.000 0.207 152 K C 2.088 178.529 176.600 -0.265 0.000 1.049 152 K CA 1.279 57.331 56.287 -0.391 0.000 0.931 152 K CB -0.051 32.128 32.500 -0.535 0.000 0.714 152 K HN 0.130 nan 8.250 nan 0.000 0.440 153 E N 0.187 120.245 120.200 -0.237 0.000 2.204 153 E HA -0.134 4.214 4.350 -0.002 0.000 0.195 153 E C 1.851 178.331 176.600 -0.200 0.000 0.990 153 E CA 0.781 57.075 56.400 -0.178 0.000 0.821 153 E CB -0.046 29.567 29.700 -0.146 0.000 0.750 153 E HN 0.357 nan 8.360 nan 0.000 0.477 154 L N -0.605 120.459 121.223 -0.265 0.000 2.376 154 L HA -0.042 4.297 4.340 -0.002 0.000 0.219 154 L C 1.647 178.191 176.870 -0.542 0.000 1.133 154 L CA 0.862 55.495 54.840 -0.344 0.000 0.816 154 L CB -0.141 41.703 42.059 -0.357 0.000 0.933 154 L HN 0.292 nan 8.230 nan 0.000 0.449 155 G N -0.619 107.929 108.800 -0.420 0.000 2.211 155 G HA2 -0.208 3.750 3.960 -0.002 0.000 0.201 155 G HA3 -0.208 3.750 3.960 -0.002 0.000 0.201 155 G C 0.239 175.024 174.900 -0.191 0.000 0.997 155 G CA -0.528 44.351 45.100 -0.368 0.000 0.652 155 G HN 0.119 nan 8.290 nan 0.000 0.500 156 L N 0.659 121.722 121.223 -0.268 0.000 2.490 156 L HA 0.388 4.727 4.340 -0.002 0.000 0.274 156 L C 1.792 178.659 176.870 -0.004 0.000 1.201 156 L CA -0.126 54.675 54.840 -0.066 0.000 0.869 156 L CB 0.570 42.552 42.059 -0.127 0.000 1.123 156 L HN 0.124 nan 8.230 nan 0.000 0.484 157 R N 1.730 122.287 120.500 0.095 0.000 2.350 157 R HA 0.133 4.471 4.340 -0.002 0.000 0.199 157 R C 0.535 176.878 176.300 0.071 0.000 0.876 157 R CA 0.059 56.198 56.100 0.065 0.000 1.062 157 R CB 0.296 30.645 30.300 0.083 0.000 1.263 157 R HN 0.454 nan 8.270 nan 0.000 0.641 158 R N 1.831 122.388 120.500 0.094 0.000 4.496 158 R HA 0.233 4.572 4.340 -0.002 0.000 0.211 158 R C -0.586 175.711 176.300 -0.004 0.000 1.738 158 R CA 0.074 56.179 56.100 0.009 0.000 1.528 158 R CB 0.017 30.265 30.300 -0.086 0.000 1.414 158 R HN -0.162 nan 8.270 nan 0.000 0.812 159 L N 0.736 122.012 121.223 0.088 0.000 2.344 159 L HA 0.499 4.838 4.340 -0.002 0.000 0.272 159 L C 0.203 177.153 176.870 0.133 0.000 1.035 159 L CA -0.703 54.221 54.840 0.139 0.000 0.807 159 L CB 1.204 43.370 42.059 0.178 0.000 1.237 159 L HN 0.143 nan 8.230 nan 0.000 0.442 160 K N 2.050 122.540 120.400 0.150 0.000 2.572 160 K HA 0.406 4.724 4.320 -0.002 0.000 0.244 160 K C -1.008 175.699 176.600 0.178 0.000 0.965 160 K CA -0.481 55.883 56.287 0.129 0.000 0.943 160 K CB 1.925 34.477 32.500 0.087 0.000 1.154 160 K HN 0.253 nan 8.250 nan 0.000 0.447 161 V N 3.206 123.206 119.914 0.143 0.000 2.583 161 V HA 0.253 4.372 4.120 -0.002 0.000 0.287 161 V C 0.295 176.488 176.094 0.166 0.000 1.051 161 V CA -0.271 62.117 62.300 0.146 0.000 1.010 161 V CB 0.657 32.501 31.823 0.035 0.000 0.988 161 V HN 0.462 nan 8.190 nan 0.000 0.478 162 K N 4.481 125.001 120.400 0.200 0.000 2.426 162 K HA 0.681 5.000 4.320 -0.002 0.000 0.254 162 K C -1.306 175.404 176.600 0.184 0.000 0.936 162 K CA -0.762 55.634 56.287 0.182 0.000 0.801 162 K CB 2.393 34.988 32.500 0.158 0.000 1.139 162 K HN 0.425 nan 8.250 nan 0.000 0.424 163 L N 0.824 122.142 121.223 0.160 0.000 2.341 163 L HA 0.712 5.050 4.340 -0.002 0.000 0.267 163 L C -0.627 176.297 176.870 0.090 0.000 1.009 163 L CA 0.066 54.963 54.840 0.096 0.000 0.819 163 L CB 2.126 44.129 42.059 -0.094 0.000 1.323 163 L HN 0.738 nan 8.230 nan 0.000 0.425 164 S N 1.090 116.833 115.700 0.071 0.000 2.680 164 S HA 0.757 5.226 4.470 -0.002 0.000 0.276 164 S C -1.802 172.825 174.600 0.045 0.000 1.189 164 S CA -0.011 58.219 58.200 0.050 0.000 0.909 164 S CB 0.713 63.937 63.200 0.039 0.000 1.227 164 S HN 1.008 nan 8.310 nan 0.000 0.501 165 S N -0.380 115.336 115.700 0.027 0.000 2.550 165 S HA 0.586 5.054 4.470 -0.002 0.000 0.270 165 S C -0.321 174.286 174.600 0.011 0.000 1.145 165 S CA 0.117 58.335 58.200 0.031 0.000 0.852 165 S CB 1.405 64.628 63.200 0.038 0.000 1.119 165 S HN 1.572 nan 8.310 nan 0.000 0.465 166 V N 1.305 121.235 119.914 0.026 0.000 3.276 166 V HA 0.671 4.790 4.120 -0.002 0.000 0.319 166 V C 1.315 177.432 176.094 0.038 0.000 1.427 166 V CA 0.786 63.104 62.300 0.030 0.000 1.102 166 V CB -0.716 31.148 31.823 0.067 0.000 1.020 166 V HN 1.602 nan 8.190 nan 0.000 0.456 167 G N 1.378 110.195 108.800 0.030 0.000 2.574 167 G HA2 -0.250 3.708 3.960 -0.002 0.000 0.301 167 G HA3 -0.250 3.708 3.960 -0.002 0.000 0.301 167 G C -0.252 174.667 174.900 0.030 0.000 1.166 167 G CA 0.829 45.947 45.100 0.029 0.000 0.971 167 G HN 0.660 nan 8.290 nan 0.000 0.542 168 D N 0.794 121.220 120.400 0.043 0.000 2.626 168 D HA 0.440 5.079 4.640 -0.002 0.000 0.278 168 D C -1.621 174.715 176.300 0.060 0.000 1.211 168 D CA -0.384 53.641 54.000 0.041 0.000 0.903 168 D CB 1.917 42.731 40.800 0.023 0.000 1.408 168 D HN 0.165 nan 8.370 nan 0.000 0.454 169 P HA -0.195 nan 4.420 nan 0.000 0.217 169 P C 0.698 178.036 177.300 0.065 0.000 1.151 169 P CA 1.594 64.733 63.100 0.065 0.000 0.849 169 P CB 0.629 32.362 31.700 0.056 0.000 0.787 170 E N 0.190 120.425 120.200 0.058 0.000 2.028 170 E HA -0.152 4.197 4.350 -0.002 0.000 0.191 170 E C 1.924 178.576 176.600 0.086 0.000 0.988 170 E CA 1.359 57.797 56.400 0.064 0.000 0.799 170 E CB -0.858 28.873 29.700 0.053 0.000 0.755 170 E HN 0.297 nan 8.360 nan 0.000 0.447 171 D N 0.131 120.584 120.400 0.089 0.000 2.144 171 D HA -0.156 4.483 4.640 -0.002 0.000 0.199 171 D C 1.921 178.303 176.300 0.137 0.000 0.984 171 D CA 0.829 54.901 54.000 0.121 0.000 0.834 171 D CB -0.225 40.633 40.800 0.096 0.000 0.955 171 D HN 0.071 nan 8.370 nan 0.000 0.465 172 R N 0.787 121.353 120.500 0.110 0.000 2.081 172 R HA -0.107 4.232 4.340 -0.002 0.000 0.235 172 R C 2.175 178.548 176.300 0.121 0.000 1.131 172 R CA 1.454 57.626 56.100 0.120 0.000 0.960 172 R CB -0.127 30.233 30.300 0.100 0.000 0.856 172 R HN 0.112 nan 8.270 nan 0.000 0.436 173 A N 1.193 124.072 122.820 0.097 0.000 1.858 173 A HA -0.179 4.140 4.320 -0.002 0.000 0.216 173 A C 2.175 179.813 177.584 0.090 0.000 1.190 173 A CA 1.556 53.640 52.037 0.078 0.000 0.617 173 A CB -0.500 18.540 19.000 0.067 0.000 0.827 173 A HN 0.368 nan 8.150 nan 0.000 0.443 174 R N -2.265 118.311 120.500 0.127 0.000 2.105 174 R HA -0.166 4.173 4.340 -0.002 0.000 0.239 174 R C 2.155 178.549 176.300 0.156 0.000 1.135 174 R CA 1.673 57.874 56.100 0.168 0.000 0.967 174 R CB -0.534 29.903 30.300 0.229 0.000 0.861 174 R HN 0.671 nan 8.270 nan 0.000 0.442 175 Y N 2.136 122.389 120.300 -0.078 0.000 2.242 175 Y HA -0.154 4.395 4.550 -0.002 0.000 0.291 175 Y C 1.883 177.703 175.900 -0.134 0.000 1.137 175 Y CA 1.152 59.030 58.100 -0.371 0.000 1.181 175 Y CB -0.273 37.953 38.460 -0.389 0.000 0.989 175 Y HN 0.012 nan 8.280 nan 0.000 0.527 176 N N 0.348 118.998 118.700 -0.083 0.000 2.084 176 N HA -0.181 4.558 4.740 -0.002 0.000 0.190 176 N C 2.041 177.478 175.510 -0.121 0.000 1.030 176 N CA 1.523 54.495 53.050 -0.131 0.000 0.849 176 N CB -0.742 37.725 38.487 -0.032 0.000 1.012 176 N HN 0.473 nan 8.380 nan 0.000 0.423 177 A N 0.661 123.460 122.820 -0.034 0.000 1.883 177 A HA -0.225 4.094 4.320 -0.002 0.000 0.217 177 A C 2.188 179.764 177.584 -0.014 0.000 1.186 177 A CA 1.531 53.566 52.037 -0.004 0.000 0.624 177 A CB -1.208 17.825 19.000 0.054 0.000 0.822 177 A HN 0.479 nan 8.150 nan 0.000 0.444 178 Y N 0.602 120.826 120.300 -0.126 0.000 2.128 178 Y HA -0.223 4.326 4.550 -0.002 0.000 0.284 178 Y C 1.913 177.695 175.900 -0.197 0.000 1.154 178 Y CA 2.023 60.051 58.100 -0.120 0.000 1.149 178 Y CB -0.487 37.872 38.460 -0.169 0.000 0.976 178 Y HN 0.213 nan 8.280 nan 0.000 0.505 179 L N -0.011 120.901 121.223 -0.518 0.000 2.042 179 L HA -0.242 4.097 4.340 -0.002 0.000 0.210 179 L C 2.710 179.370 176.870 -0.350 0.000 1.076 179 L CA 1.723 56.228 54.840 -0.558 0.000 0.749 179 L CB -0.531 41.243 42.059 -0.474 0.000 0.893 179 L HN 0.179 nan 8.230 nan 0.000 0.432 180 R N -0.035 120.326 120.500 -0.231 0.000 2.073 180 R HA -0.162 4.176 4.340 -0.002 0.000 0.234 180 R C 2.214 178.433 176.300 -0.134 0.000 1.134 180 R CA 1.515 57.528 56.100 -0.144 0.000 0.952 180 R CB -0.319 29.926 30.300 -0.092 0.000 0.850 180 R HN 0.423 nan 8.270 nan 0.000 0.433 181 E N 0.079 120.197 120.200 -0.137 0.000 2.118 181 E HA -0.171 4.178 4.350 -0.002 0.000 0.195 181 E C 1.952 178.483 176.600 -0.115 0.000 0.992 181 E CA 1.481 57.823 56.400 -0.097 0.000 0.804 181 E CB 0.054 29.724 29.700 -0.049 0.000 0.741 181 E HN 0.132 nan 8.360 nan 0.000 0.458 182 V N 0.759 120.533 119.914 -0.233 0.000 2.535 182 V HA -0.150 3.969 4.120 -0.002 0.000 0.246 182 V C 2.083 178.148 176.094 -0.049 0.000 1.045 182 V CA 1.142 63.330 62.300 -0.187 0.000 1.058 182 V CB -0.221 31.348 31.823 -0.422 0.000 0.689 182 V HN 0.210 nan 8.190 nan 0.000 0.461 183 L N 0.542 121.702 121.223 -0.105 0.000 2.168 183 L HA -0.040 4.299 4.340 -0.002 0.000 0.203 183 L C 2.794 179.672 176.870 0.013 0.000 1.078 183 L CA 1.239 56.062 54.840 -0.029 0.000 0.780 183 L CB -0.700 41.303 42.059 -0.092 0.000 0.939 183 L HN 0.489 nan 8.230 nan 0.000 0.451 184 S N 0.721 116.399 115.700 -0.036 0.000 2.372 184 S HA -0.130 4.339 4.470 -0.002 0.000 0.227 184 S C -0.266 174.298 174.600 -0.061 0.000 1.044 184 S CA 1.425 59.599 58.200 -0.043 0.000 1.050 184 S CB -2.147 61.022 63.200 -0.052 0.000 0.901 184 S HN 0.312 nan 8.310 nan 0.000 0.447 185 P HA -0.031 nan 4.420 nan 0.000 0.230 185 P C 0.012 177.094 177.300 -0.364 0.000 1.158 185 P CA 1.211 64.170 63.100 -0.235 0.000 0.769 185 P CB -0.381 31.140 31.700 -0.298 0.000 0.807 186 H N -1.625 117.419 119.070 -0.043 0.000 2.528 186 H HA 0.291 4.846 4.556 -0.002 0.000 0.282 186 H C 2.028 177.334 175.328 -0.037 0.000 1.097 186 H CA -0.341 55.685 56.048 -0.037 0.000 1.121 186 H CB -0.038 29.701 29.762 -0.040 0.000 1.590 186 H HN -0.080 nan 8.280 nan 0.000 0.553 187 R N 1.437 121.952 120.500 0.025 0.000 2.133 187 R HA -0.200 4.138 4.340 -0.002 0.000 0.247 187 R C 0.990 177.295 176.300 0.008 0.000 1.151 187 R CA 1.825 57.929 56.100 0.005 0.000 0.971 187 R CB 0.062 30.351 30.300 -0.019 0.000 0.866 187 R HN 0.495 nan 8.270 nan 0.000 0.447 188 E N -0.850 119.354 120.200 0.006 0.000 2.463 188 E HA -0.127 4.221 4.350 -0.002 0.000 0.201 188 E C 1.052 177.661 176.600 0.015 0.000 1.045 188 E CA 0.704 57.108 56.400 0.005 0.000 0.872 188 E CB 0.139 29.838 29.700 -0.001 0.000 0.797 188 E HN 0.440 nan 8.360 nan 0.000 0.538 189 A N 0.608 123.445 122.820 0.029 0.000 2.387 189 A HA 0.209 4.528 4.320 -0.002 0.000 0.234 189 A C 0.577 178.167 177.584 0.011 0.000 1.253 189 A CA -0.221 51.831 52.037 0.024 0.000 0.894 189 A CB 0.164 19.186 19.000 0.038 0.000 0.963 189 A HN 0.027 nan 8.150 nan 0.000 0.508 190 L N 0.254 121.481 121.223 0.007 0.000 2.399 190 L HA 0.352 4.690 4.340 -0.002 0.000 0.265 190 L C 0.350 177.218 176.870 -0.003 0.000 1.089 190 L CA -0.631 54.207 54.840 -0.002 0.000 0.802 190 L CB 1.518 43.573 42.059 -0.006 0.000 1.180 190 L HN 0.049 nan 8.230 nan 0.000 0.454 191 S N 0.453 116.150 115.700 -0.005 0.000 2.576 191 S HA 0.015 4.483 4.470 -0.002 0.000 0.276 191 S C 0.829 175.426 174.600 -0.006 0.000 1.339 191 S CA -0.534 57.663 58.200 -0.005 0.000 1.039 191 S CB 1.345 64.542 63.200 -0.005 0.000 0.902 191 S HN 0.565 nan 8.310 nan 0.000 0.516 192 E N 1.969 122.166 120.200 -0.005 0.000 2.136 192 E HA -0.232 4.116 4.350 -0.002 0.000 0.202 192 E C 1.556 178.151 176.600 -0.008 0.000 1.019 192 E CA 1.817 58.214 56.400 -0.006 0.000 0.819 192 E CB -0.216 29.481 29.700 -0.005 0.000 0.739 192 E HN 0.760 nan 8.360 nan 0.000 0.458 193 D N -0.771 119.625 120.400 -0.007 0.000 2.092 193 D HA -0.134 4.504 4.640 -0.002 0.000 0.193 193 D C 1.756 178.050 176.300 -0.010 0.000 0.994 193 D CA 1.927 55.922 54.000 -0.008 0.000 0.828 193 D CB -0.232 40.564 40.800 -0.006 0.000 0.963 193 D HN 0.077 nan 8.370 nan 0.000 0.450 194 S N -0.263 115.431 115.700 -0.010 0.000 2.382 194 S HA -0.140 4.329 4.470 -0.002 0.000 0.228 194 S C 1.825 176.414 174.600 -0.018 0.000 1.027 194 S CA 0.970 59.162 58.200 -0.014 0.000 0.991 194 S CB -0.270 62.922 63.200 -0.014 0.000 0.823 194 S HN 0.350 nan 8.310 nan 0.000 0.469 195 K N 1.035 121.426 120.400 -0.015 0.000 2.211 195 K HA -0.110 4.209 4.320 -0.002 0.000 0.204 195 K C 2.074 178.663 176.600 -0.018 0.000 1.047 195 K CA 1.198 57.475 56.287 -0.016 0.000 0.935 195 K CB -0.095 32.397 32.500 -0.013 0.000 0.728 195 K HN 0.499 nan 8.250 nan 0.000 0.452 196 E N 0.406 120.597 120.200 -0.015 0.000 2.051 196 E HA -0.080 4.269 4.350 -0.002 0.000 0.189 196 E C 1.996 178.586 176.600 -0.017 0.000 0.979 196 E CA 0.564 56.955 56.400 -0.015 0.000 0.803 196 E CB 0.045 29.738 29.700 -0.013 0.000 0.761 196 E HN 0.201 nan 8.360 nan 0.000 0.451 197 R N 0.570 121.059 120.500 -0.018 0.000 2.200 197 R HA -0.123 4.216 4.340 -0.002 0.000 0.234 197 R C 2.231 178.515 176.300 -0.027 0.000 1.127 197 R CA 0.511 56.600 56.100 -0.019 0.000 0.989 197 R CB -0.235 30.055 30.300 -0.016 0.000 0.869 197 R HN 0.089 nan 8.270 nan 0.000 0.459 198 L N 1.167 122.371 121.223 -0.031 0.000 2.275 198 L HA -0.126 4.213 4.340 -0.002 0.000 0.215 198 L C 1.876 178.723 176.870 -0.038 0.000 1.119 198 L CA 1.690 56.505 54.840 -0.042 0.000 0.790 198 L CB -0.145 41.889 42.059 -0.041 0.000 0.919 198 L HN 0.065 nan 8.230 nan 0.000 0.443 199 E N -0.001 120.182 120.200 -0.028 0.000 2.033 199 E HA 0.016 4.365 4.350 -0.002 0.000 0.189 199 E C 0.307 176.895 176.600 -0.021 0.000 0.979 199 E CA 0.766 57.152 56.400 -0.023 0.000 0.802 199 E CB 0.099 29.788 29.700 -0.018 0.000 0.763 199 E HN 0.537 nan 8.360 nan 0.000 0.449 200 E N 1.219 121.408 120.200 -0.018 0.000 2.185 200 E HA 0.190 4.539 4.350 -0.002 0.000 0.261 200 E C -1.010 175.583 176.600 -0.012 0.000 0.879 200 E CA -0.482 55.910 56.400 -0.013 0.000 0.756 200 E CB 1.127 30.821 29.700 -0.010 0.000 1.152 200 E HN 0.019 nan 8.360 nan 0.000 0.416 201 N N 3.267 121.961 118.700 -0.010 0.000 2.699 201 N HA -0.116 4.622 4.740 -0.002 0.000 0.257 201 N C -2.349 173.153 175.510 -0.014 0.000 1.077 201 N CA -0.024 53.025 53.050 -0.003 0.000 0.702 201 N CB -0.486 38.005 38.487 0.005 0.000 0.886 201 N HN 0.344 nan 8.380 nan 0.000 0.549 202 P HA -0.166 nan 4.420 nan 0.000 0.218 202 P C 1.704 178.972 177.300 -0.053 0.000 1.146 202 P CA 1.192 64.255 63.100 -0.062 0.000 0.813 202 P CB 0.055 31.690 31.700 -0.108 0.000 0.778 203 M N -1.434 118.152 119.600 -0.022 0.000 2.192 203 M HA -0.251 4.227 4.480 -0.002 0.000 0.259 203 M C 2.061 178.386 176.300 0.041 0.000 1.071 203 M CA 1.848 57.172 55.300 0.041 0.000 1.082 203 M CB -0.558 32.114 32.600 0.120 0.000 1.373 203 M HN -0.060 nan 8.290 nan 0.000 0.408 204 R N 0.119 120.632 120.500 0.022 0.000 2.127 204 R HA -0.130 4.209 4.340 -0.002 0.000 0.238 204 R C 2.145 178.452 176.300 0.011 0.000 1.134 204 R CA 1.311 57.422 56.100 0.018 0.000 0.975 204 R CB -0.695 29.610 30.300 0.008 0.000 0.865 204 R HN 0.445 nan 8.270 nan 0.000 0.447 205 I N 1.219 121.787 120.570 -0.003 0.000 2.530 205 I HA -0.278 3.891 4.170 -0.002 0.000 0.257 205 I C 1.714 177.832 176.117 0.003 0.000 1.179 205 I CA 1.129 62.423 61.300 -0.009 0.000 1.440 205 I CB 0.110 38.092 38.000 -0.030 0.000 1.087 205 I HN 0.191 nan 8.210 nan 0.000 0.440 206 L N -0.006 121.229 121.223 0.021 0.000 2.023 206 L HA -0.172 4.167 4.340 -0.002 0.000 0.205 206 L C 1.319 178.209 176.870 0.034 0.000 1.073 206 L CA 1.216 56.081 54.840 0.041 0.000 0.745 206 L CB -0.556 41.554 42.059 0.085 0.000 0.900 206 L HN 0.099 nan 8.230 nan 0.000 0.435 207 D N 0.068 120.488 120.400 0.034 0.000 2.400 207 D HA 0.024 4.663 4.640 -0.002 0.000 0.243 207 D C 0.633 176.944 176.300 0.019 0.000 1.184 207 D CA 0.029 54.046 54.000 0.028 0.000 0.853 207 D CB 0.004 40.824 40.800 0.033 0.000 0.944 207 D HN 0.220 nan 8.370 nan 0.000 0.501 208 S N -1.085 114.623 115.700 0.013 0.000 2.693 208 S HA 0.447 4.916 4.470 -0.002 0.000 0.276 208 S C 0.640 175.244 174.600 0.007 0.000 1.192 208 S CA -0.822 57.382 58.200 0.008 0.000 0.994 208 S CB 2.244 65.445 63.200 0.003 0.000 1.012 208 S HN -0.221 nan 8.310 nan 0.000 0.550 209 K N 0.351 120.753 120.400 0.005 0.000 2.760 209 K HA 0.558 4.876 4.320 -0.002 0.000 0.285 209 K C 0.393 176.994 176.600 0.002 0.000 1.016 209 K CA -0.342 55.947 56.287 0.004 0.000 1.087 209 K CB 0.111 32.614 32.500 0.004 0.000 1.427 209 K HN 0.922 nan 8.250 nan 0.000 0.524 210 S N -0.294 115.406 115.700 0.001 0.000 3.423 210 S HA -0.148 4.320 4.470 -0.002 0.000 0.847 210 S C 0.773 175.372 174.600 -0.001 0.000 1.172 210 S CA 0.747 58.947 58.200 0.000 0.000 0.998 210 S CB -0.215 62.984 63.200 -0.001 0.000 0.656 210 S HN 0.645 nan 8.310 nan 0.000 0.293 211 E N 2.239 122.439 120.200 -0.001 0.000 2.158 211 E HA 0.085 4.434 4.350 -0.002 0.000 0.191 211 E C 2.070 178.668 176.600 -0.004 0.000 0.982 211 E CA 1.575 57.974 56.400 -0.002 0.000 0.823 211 E CB -0.042 29.657 29.700 -0.002 0.000 0.766 211 E HN 0.573 nan 8.360 nan 0.000 0.468 212 R N 0.682 121.179 120.500 -0.004 0.000 2.112 212 R HA -0.185 4.154 4.340 -0.002 0.000 0.242 212 R C 1.743 178.038 176.300 -0.008 0.000 1.137 212 R CA 1.789 57.886 56.100 -0.005 0.000 0.944 212 R CB -0.477 29.821 30.300 -0.003 0.000 0.857 212 R HN 0.265 nan 8.270 nan 0.000 0.435 213 D N 0.287 120.683 120.400 -0.007 0.000 2.084 213 D HA -0.139 4.500 4.640 -0.002 0.000 0.196 213 D C 2.177 178.470 176.300 -0.011 0.000 0.985 213 D CA 0.998 54.992 54.000 -0.010 0.000 0.826 213 D CB -0.329 40.466 40.800 -0.007 0.000 0.978 213 D HN 0.168 nan 8.370 nan 0.000 0.456 214 Q N 0.880 120.677 119.800 -0.006 0.000 2.077 214 Q HA -0.130 4.209 4.340 -0.002 0.000 0.206 214 Q C 2.292 178.287 176.000 -0.007 0.000 0.989 214 Q CA 1.505 57.306 55.803 -0.003 0.000 0.853 214 Q CB -0.769 27.968 28.738 -0.000 0.000 0.907 214 Q HN 0.293 nan 8.270 nan 0.000 0.418 215 A N 0.799 123.613 122.820 -0.010 0.000 1.902 215 A HA -0.165 4.154 4.320 -0.002 0.000 0.217 215 A C 2.165 179.735 177.584 -0.024 0.000 1.181 215 A CA 1.474 53.503 52.037 -0.013 0.000 0.623 215 A CB -0.682 18.311 19.000 -0.011 0.000 0.818 215 A HN 0.329 nan 8.150 nan 0.000 0.443 216 L N -0.073 121.131 121.223 -0.031 0.000 1.994 216 L HA -0.121 4.218 4.340 -0.002 0.000 0.208 216 L C 2.307 179.137 176.870 -0.067 0.000 1.071 216 L CA 1.808 56.614 54.840 -0.057 0.000 0.745 216 L CB -0.635 41.391 42.059 -0.054 0.000 0.892 216 L HN 0.406 nan 8.230 nan 0.000 0.431 217 L N -0.597 120.601 121.223 -0.043 0.000 2.043 217 L HA -0.281 4.058 4.340 -0.002 0.000 0.212 217 L C 2.656 179.517 176.870 -0.014 0.000 1.075 217 L CA 1.654 56.477 54.840 -0.028 0.000 0.752 217 L CB -0.711 41.345 42.059 -0.004 0.000 0.891 217 L HN 0.300 nan 8.230 nan 0.000 0.432 218 K N -0.173 120.220 120.400 -0.011 0.000 1.985 218 K HA -0.244 4.075 4.320 -0.002 0.000 0.210 218 K C 2.118 178.711 176.600 -0.011 0.000 1.047 218 K CA 1.722 58.008 56.287 -0.003 0.000 0.932 218 K CB -0.208 32.291 32.500 -0.003 0.000 0.716 218 K HN 0.305 nan 8.250 nan 0.000 0.439 219 E N 1.119 121.301 120.200 -0.030 0.000 2.110 219 E HA -0.173 4.176 4.350 -0.002 0.000 0.193 219 E C 1.963 178.530 176.600 -0.054 0.000 0.988 219 E CA 0.776 57.153 56.400 -0.039 0.000 0.804 219 E CB 0.041 29.710 29.700 -0.051 0.000 0.745 219 E HN 0.244 nan 8.360 nan 0.000 0.458 220 L N -0.048 121.123 121.223 -0.086 0.000 2.362 220 L HA -0.016 4.323 4.340 -0.002 0.000 0.219 220 L C 1.261 178.119 176.870 -0.020 0.000 1.134 220 L CA 0.619 55.395 54.840 -0.105 0.000 0.807 220 L CB -0.325 41.630 42.059 -0.173 0.000 0.927 220 L HN 0.417 nan 8.230 nan 0.000 0.447 221 G N 0.751 109.558 108.800 0.012 0.000 2.314 221 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.292 221 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.292 221 G C 0.066 175.042 174.900 0.126 0.000 1.059 221 G CA 0.080 45.216 45.100 0.060 0.000 0.982 221 G HN 0.103 nan 8.290 nan 0.000 0.505 222 V N 1.112 121.099 119.914 0.122 0.000 2.485 222 V HA 0.167 4.286 4.120 -0.002 0.000 0.287 222 V C 1.414 177.690 176.094 0.303 0.000 1.022 222 V CA 0.138 62.573 62.300 0.226 0.000 1.067 222 V CB 0.460 32.360 31.823 0.128 0.000 0.967 222 V HN 0.511 nan 8.190 nan 0.000 0.479 223 R N 5.125 125.898 120.500 0.455 0.000 2.490 223 R HA 0.337 4.676 4.340 -0.002 0.000 0.278 223 R C -2.435 174.099 176.300 0.391 0.000 1.069 223 R CA -1.708 54.596 56.100 0.340 0.000 1.080 223 R CB 0.528 30.988 30.300 0.267 0.000 1.030 223 R HN 0.438 nan 8.270 nan 0.000 0.491 224 P HA -0.074 nan 4.420 nan 0.000 0.267 224 P C 0.477 177.717 177.300 -0.100 0.000 1.200 224 P CA 0.009 63.166 63.100 0.095 0.000 0.772 224 P CB 0.485 32.215 31.700 0.050 0.000 0.855 225 M N 3.725 123.053 119.600 -0.454 0.000 2.267 225 M HA -0.124 4.355 4.480 -0.002 0.000 0.263 225 M C 1.361 177.490 176.300 -0.285 0.000 1.063 225 M CA 1.709 56.471 55.300 -0.896 0.000 1.090 225 M CB -1.228 30.971 32.600 -0.668 0.000 1.392 225 M HN 0.298 nan 8.290 nan 0.000 0.422 226 L N -0.133 121.017 121.223 -0.123 0.000 2.079 226 L HA -0.259 4.080 4.340 -0.002 0.000 0.210 226 L C 1.380 178.238 176.870 -0.020 0.000 1.081 226 L CA 1.474 56.286 54.840 -0.045 0.000 0.752 226 L CB -0.851 41.194 42.059 -0.023 0.000 0.896 226 L HN 0.287 nan 8.230 nan 0.000 0.433 227 D N -0.781 119.623 120.400 0.007 0.000 2.378 227 D HA -0.122 4.517 4.640 -0.002 0.000 0.222 227 D C 1.084 177.230 176.300 -0.256 0.000 0.980 227 D CA 1.046 54.987 54.000 -0.098 0.000 0.907 227 D CB 0.013 40.738 40.800 -0.125 0.000 0.899 227 D HN 0.288 nan 8.370 nan 0.000 0.527 228 F N -0.008 119.844 119.950 -0.163 0.000 2.654 228 F HA 0.256 4.782 4.527 -0.002 0.000 0.303 228 F C 0.725 176.480 175.800 -0.075 0.000 1.099 228 F CA -0.497 57.437 58.000 -0.110 0.000 1.270 228 F CB 0.064 39.008 39.000 -0.093 0.000 1.024 228 F HN -0.238 nan 8.300 nan 0.000 0.548 229 L N 0.498 121.751 121.223 0.049 0.000 2.426 229 L HA 0.322 4.661 4.340 -0.002 0.000 0.271 229 L C 1.196 178.077 176.870 0.019 0.000 1.169 229 L CA -0.358 54.501 54.840 0.031 0.000 0.836 229 L CB 0.159 42.224 42.059 0.010 0.000 1.112 229 L HN 0.193 nan 8.230 nan 0.000 0.465 230 G N 0.931 109.748 108.800 0.028 0.000 2.527 230 G HA2 0.077 4.036 3.960 -0.002 0.000 0.248 230 G HA3 0.077 4.036 3.960 -0.002 0.000 0.248 230 G C 0.686 175.592 174.900 0.010 0.000 1.231 230 G CA -0.302 44.810 45.100 0.019 0.000 0.838 230 G HN 0.827 nan 8.290 nan 0.000 0.570 231 E N 0.608 120.811 120.200 0.004 0.000 2.049 231 E HA -0.204 4.145 4.350 -0.002 0.000 0.198 231 E C 2.151 178.761 176.600 0.016 0.000 1.007 231 E CA 2.218 58.620 56.400 0.004 0.000 0.809 231 E CB -0.210 29.489 29.700 -0.001 0.000 0.749 231 E HN 0.717 nan 8.360 nan 0.000 0.450 232 E N -0.081 120.130 120.200 0.019 0.000 2.147 232 E HA -0.280 4.068 4.350 -0.002 0.000 0.199 232 E C 2.037 178.666 176.600 0.049 0.000 1.005 232 E CA 1.075 57.495 56.400 0.032 0.000 0.810 232 E CB -0.308 29.406 29.700 0.024 0.000 0.736 232 E HN 0.440 nan 8.360 nan 0.000 0.460 233 A N 1.442 124.281 122.820 0.031 0.000 1.877 233 A HA -0.202 4.117 4.320 -0.002 0.000 0.216 233 A C 2.142 179.764 177.584 0.063 0.000 1.186 233 A CA 1.708 53.766 52.037 0.035 0.000 0.620 233 A CB -0.404 18.606 19.000 0.018 0.000 0.822 233 A HN 0.038 nan 8.150 nan 0.000 0.443 234 R N 0.027 120.550 120.500 0.038 0.000 2.120 234 R HA -0.009 4.329 4.340 -0.002 0.000 0.234 234 R C 2.124 178.444 176.300 0.032 0.000 1.123 234 R CA 1.710 57.827 56.100 0.029 0.000 0.975 234 R CB -0.698 29.606 30.300 0.007 0.000 0.866 234 R HN 0.420 nan 8.270 nan 0.000 0.446 235 A N 0.046 122.889 122.820 0.039 0.000 1.858 235 A HA -0.230 4.089 4.320 -0.002 0.000 0.216 235 A C 2.194 179.797 177.584 0.032 0.000 1.190 235 A CA 1.763 53.816 52.037 0.026 0.000 0.617 235 A CB -1.083 17.936 19.000 0.031 0.000 0.827 235 A HN 0.582 nan 8.150 nan 0.000 0.443 236 H N -0.541 118.518 119.070 -0.019 0.000 2.290 236 H HA -0.160 4.395 4.556 -0.002 0.000 0.298 236 H C 2.077 177.386 175.328 -0.032 0.000 1.087 236 H CA 2.115 58.153 56.048 -0.018 0.000 1.291 236 H CB -0.278 29.483 29.762 -0.002 0.000 1.369 236 H HN 0.355 nan 8.280 nan 0.000 0.492 237 L N 1.533 122.830 121.223 0.123 0.000 2.079 237 L HA -0.133 4.206 4.340 -0.002 0.000 0.210 237 L C 2.421 179.261 176.870 -0.050 0.000 1.081 237 L CA 1.820 56.686 54.840 0.044 0.000 0.752 237 L CB -0.570 41.520 42.059 0.051 0.000 0.896 237 L HN 0.010 nan 8.230 nan 0.000 0.433 238 K N -0.235 120.134 120.400 -0.051 0.000 2.097 238 K HA -0.132 4.187 4.320 -0.002 0.000 0.206 238 K C 2.040 178.543 176.600 -0.162 0.000 1.049 238 K CA 1.222 57.462 56.287 -0.078 0.000 0.933 238 K CB -0.159 32.308 32.500 -0.055 0.000 0.717 238 K HN 0.344 nan 8.250 nan 0.000 0.442 239 E N -0.052 120.017 120.200 -0.218 0.000 2.077 239 E HA -0.137 4.211 4.350 -0.002 0.000 0.193 239 E C 2.012 178.298 176.600 -0.523 0.000 0.989 239 E CA 1.238 57.408 56.400 -0.383 0.000 0.800 239 E CB -0.256 29.238 29.700 -0.343 0.000 0.746 239 E HN 0.114 nan 8.360 nan 0.000 0.452 240 V N 1.677 121.404 119.914 -0.312 0.000 2.343 240 V HA -0.240 3.879 4.120 -0.002 0.000 0.247 240 V C 2.171 178.120 176.094 -0.241 0.000 1.051 240 V CA 1.864 64.035 62.300 -0.215 0.000 1.036 240 V CB -0.512 31.221 31.823 -0.150 0.000 0.654 240 V HN 0.253 nan 8.190 nan 0.000 0.451 241 E N -0.173 119.893 120.200 -0.224 0.000 2.110 241 E HA -0.234 4.115 4.350 -0.002 0.000 0.193 241 E C 2.430 178.975 176.600 -0.092 0.000 0.988 241 E CA 1.010 57.311 56.400 -0.165 0.000 0.804 241 E CB -0.199 29.495 29.700 -0.010 0.000 0.745 241 E HN 0.451 nan 8.360 nan 0.000 0.458 242 R N 0.235 120.628 120.500 -0.178 0.000 2.083 242 R HA -0.169 4.170 4.340 -0.002 0.000 0.237 242 R C 2.309 178.549 176.300 -0.100 0.000 1.137 242 R CA 1.500 57.501 56.100 -0.166 0.000 0.951 242 R CB -0.115 30.015 30.300 -0.283 0.000 0.851 242 R HN 0.290 nan 8.270 nan 0.000 0.434 243 H N 0.493 119.521 119.070 -0.070 0.000 2.321 243 H HA -0.114 4.441 4.556 -0.002 0.000 0.300 243 H C 2.202 177.484 175.328 -0.076 0.000 1.087 243 H CA 1.424 57.427 56.048 -0.074 0.000 1.319 243 H CB -0.446 29.258 29.762 -0.096 0.000 1.379 243 H HN 0.217 nan 8.280 nan 0.000 0.501 244 L N 0.690 121.916 121.223 0.006 0.000 2.046 244 L HA -0.155 4.184 4.340 -0.002 0.000 0.208 244 L C 2.689 179.584 176.870 0.041 0.000 1.077 244 L CA 1.551 56.362 54.840 -0.048 0.000 0.747 244 L CB -0.397 41.525 42.059 -0.229 0.000 0.896 244 L HN 0.325 nan 8.230 nan 0.000 0.432 245 E N 1.037 121.294 120.200 0.094 0.000 2.077 245 E HA -0.307 4.041 4.350 -0.002 0.000 0.193 245 E C 2.267 178.892 176.600 0.042 0.000 0.989 245 E CA 1.542 57.997 56.400 0.091 0.000 0.800 245 E CB -0.035 29.714 29.700 0.082 0.000 0.746 245 E HN 0.221 nan 8.360 nan 0.000 0.452 246 R N 0.906 121.430 120.500 0.040 0.000 2.096 246 R HA -0.031 4.308 4.340 -0.002 0.000 0.235 246 R C 2.340 178.654 176.300 0.023 0.000 1.127 246 R CA 1.323 57.443 56.100 0.033 0.000 0.968 246 R CB -0.723 29.610 30.300 0.054 0.000 0.861 246 R HN 0.318 nan 8.270 nan 0.000 0.440 247 L N 0.272 121.507 121.223 0.019 0.000 2.599 247 L HA 0.136 4.475 4.340 -0.002 0.000 0.230 247 L C 0.185 177.058 176.870 0.006 0.000 1.141 247 L CA 0.463 55.307 54.840 0.005 0.000 0.877 247 L CB -0.058 41.995 42.059 -0.010 0.000 1.009 247 L HN 0.163 nan 8.230 nan 0.000 0.447 248 S N -0.630 115.075 115.700 0.008 0.000 3.587 248 S HA -0.120 4.348 4.470 -0.002 0.000 0.337 248 S C 0.278 174.865 174.600 -0.021 0.000 1.119 248 S CA 0.152 58.355 58.200 0.004 0.000 0.976 248 S CB -1.690 61.517 63.200 0.012 0.000 0.922 248 S HN 0.167 nan 8.310 nan 0.000 0.503 249 V N 3.383 123.262 119.914 -0.058 0.000 2.372 249 V HA 0.251 4.370 4.120 -0.002 0.000 0.261 249 V C -1.312 174.710 176.094 -0.121 0.000 1.055 249 V CA -1.506 60.661 62.300 -0.222 0.000 0.930 249 V CB 0.380 32.017 31.823 -0.311 0.000 1.031 249 V HN 0.211 nan 8.190 nan 0.000 0.479 250 P HA 0.179 nan 4.420 nan 0.000 0.270 250 P C -1.167 176.100 177.300 -0.055 0.000 1.242 250 P CA 0.274 63.313 63.100 -0.102 0.000 0.768 250 P CB 0.222 31.882 31.700 -0.067 0.000 0.820 251 Y N 0.131 120.353 120.300 -0.130 0.000 2.669 251 Y HA 0.824 5.373 4.550 -0.002 0.000 0.335 251 Y C -0.952 174.913 175.900 -0.057 0.000 1.116 251 Y CA -1.750 56.290 58.100 -0.099 0.000 1.081 251 Y CB 1.302 39.694 38.460 -0.112 0.000 1.297 251 Y HN 0.194 nan 8.280 nan 0.000 0.484 252 E N 1.013 121.265 120.200 0.088 0.000 2.256 252 E HA 0.460 4.808 4.350 -0.002 0.000 0.268 252 E C -2.148 174.555 176.600 0.171 0.000 0.877 252 E CA -0.737 55.663 56.400 -0.001 0.000 0.757 252 E CB 1.846 31.545 29.700 -0.002 0.000 1.183 252 E HN 0.738 nan 8.360 nan 0.000 0.418 253 L N 3.923 125.223 121.223 0.129 0.000 2.278 253 L HA 0.314 4.653 4.340 -0.002 0.000 0.287 253 L C -0.442 176.474 176.870 0.078 0.000 1.072 253 L CA 0.088 55.026 54.840 0.164 0.000 0.819 253 L CB 0.612 42.763 42.059 0.154 0.000 1.176 253 L HN 0.468 nan 8.230 nan 0.000 0.435 254 E N 6.970 127.214 120.200 0.073 0.000 2.283 254 E HA 0.242 4.591 4.350 -0.002 0.000 0.278 254 E C -1.655 174.962 176.600 0.028 0.000 1.027 254 E CA -1.895 54.529 56.400 0.041 0.000 0.843 254 E CB 1.165 30.889 29.700 0.040 0.000 1.062 254 E HN 0.444 nan 8.360 nan 0.000 0.401 255 P HA -0.129 nan 4.420 nan 0.000 0.217 255 P C -0.239 177.058 177.300 -0.005 0.000 1.148 255 P CA 1.058 64.165 63.100 0.011 0.000 0.828 255 P CB 0.513 32.226 31.700 0.020 0.000 0.783 256 A N -0.966 121.857 122.820 0.005 0.000 2.560 256 A HA 0.552 4.871 4.320 -0.002 0.000 0.300 256 A C -1.568 176.026 177.584 0.016 0.000 1.062 256 A CA -0.574 51.461 52.037 -0.004 0.000 0.767 256 A CB 0.380 19.378 19.000 -0.004 0.000 1.288 256 A HN 0.013 nan 8.150 nan 0.000 0.396 257 L N 3.032 124.262 121.223 0.011 0.000 2.324 257 L HA 0.395 4.733 4.340 -0.002 0.000 0.274 257 L C -0.692 176.181 176.870 0.005 0.000 1.012 257 L CA -0.854 53.994 54.840 0.012 0.000 0.859 257 L CB 1.583 43.643 42.059 0.002 0.000 1.224 257 L HN 0.537 nan 8.230 nan 0.000 0.429 258 V N 4.713 124.642 119.914 0.027 0.000 2.372 258 V HA 0.279 4.398 4.120 -0.002 0.000 0.261 258 V C 0.509 176.621 176.094 0.030 0.000 1.055 258 V CA -0.482 61.840 62.300 0.037 0.000 0.930 258 V CB 0.524 32.376 31.823 0.049 0.000 1.031 258 V HN 0.626 nan 8.190 nan 0.000 0.479 259 R N 3.581 124.100 120.500 0.032 0.000 2.368 259 R HA 0.334 4.673 4.340 -0.002 0.000 0.302 259 R C 1.394 177.755 176.300 0.103 0.000 1.002 259 R CA -0.184 55.952 56.100 0.059 0.000 0.929 259 R CB 1.278 31.580 30.300 0.003 0.000 1.073 259 R HN 0.793 nan 8.270 nan 0.000 0.464 260 G N 2.291 111.135 108.800 0.073 0.000 2.653 260 G HA2 -0.040 3.918 3.960 -0.002 0.000 0.212 260 G HA3 -0.040 3.918 3.960 -0.002 0.000 0.212 260 G C 0.210 175.088 174.900 -0.037 0.000 1.138 260 G CA 0.539 45.651 45.100 0.020 0.000 0.782 260 G HN 0.251 nan 8.290 nan 0.000 0.535 261 L N -0.612 120.578 121.223 -0.055 0.000 2.342 261 L HA 0.476 4.815 4.340 -0.002 0.000 0.271 261 L C -0.044 176.646 176.870 -0.299 0.000 1.008 261 L CA -0.586 54.045 54.840 -0.349 0.000 0.818 261 L CB 2.175 43.739 42.059 -0.825 0.000 1.296 261 L HN -0.212 nan 8.230 nan 0.000 0.427 262 D N -0.139 120.058 120.400 -0.338 0.000 2.340 262 D HA -0.016 4.622 4.640 -0.002 0.000 0.217 262 D C 1.041 177.303 176.300 -0.063 0.000 1.081 262 D CA 0.514 54.434 54.000 -0.133 0.000 0.842 262 D CB 0.234 40.996 40.800 -0.063 0.000 0.934 262 D HN 0.571 nan 8.370 nan 0.000 0.511 263 Y N -1.321 118.912 120.300 -0.111 0.000 2.466 263 Y HA 0.210 4.758 4.550 -0.002 0.000 0.272 263 Y C 0.050 175.945 175.900 -0.009 0.000 1.169 263 Y CA -1.213 56.832 58.100 -0.091 0.000 1.285 263 Y CB -1.518 36.849 38.460 -0.156 0.000 1.078 263 Y HN -0.232 nan 8.280 nan 0.000 0.523 264 Y N 1.211 121.764 120.300 0.421 0.000 2.511 264 Y HA 0.363 4.911 4.550 -0.002 0.000 0.332 264 Y C 0.182 176.188 175.900 0.176 0.000 1.177 264 Y CA -0.850 57.439 58.100 0.314 0.000 1.422 264 Y CB 0.866 39.457 38.460 0.217 0.000 1.271 264 Y HN -0.081 nan 8.280 nan 0.000 0.550 265 V N 5.372 125.483 119.914 0.329 0.000 2.733 265 V HA 0.587 4.705 4.120 -0.002 0.000 0.306 265 V C -0.193 175.961 176.094 0.099 0.000 1.084 265 V CA -0.788 61.608 62.300 0.159 0.000 0.905 265 V CB 1.245 33.124 31.823 0.092 0.000 1.010 265 V HN 0.992 nan 8.190 nan 0.000 0.424 266 R N 2.575 123.108 120.500 0.055 0.000 4.066 266 R HA -0.166 4.172 4.340 -0.002 0.000 0.288 266 R C 0.166 176.508 176.300 0.070 0.000 0.241 266 R CA 1.206 57.318 56.100 0.020 0.000 0.984 266 R CB -1.855 28.381 30.300 -0.107 0.000 1.043 266 R HN 0.766 nan 8.270 nan 0.000 0.539 267 T N 1.396 116.014 114.554 0.108 0.000 2.933 267 T HA 0.363 4.711 4.350 -0.002 0.000 0.306 267 T C 0.011 174.797 174.700 0.144 0.000 1.045 267 T CA 0.710 62.908 62.100 0.164 0.000 1.143 267 T CB 0.753 69.764 68.868 0.239 0.000 1.003 267 T HN 0.597 nan 8.240 nan 0.000 0.540 268 A N 3.002 125.898 122.820 0.126 0.000 2.459 268 A HA 0.752 5.071 4.320 -0.002 0.000 0.296 268 A C -0.911 176.753 177.584 0.132 0.000 1.039 268 A CA -1.062 50.947 52.037 -0.046 0.000 0.698 268 A CB 1.027 19.931 19.000 -0.160 0.000 1.261 268 A HN 0.789 nan 8.150 nan 0.000 0.405 269 F N -0.471 119.449 119.950 -0.050 0.000 2.645 269 F HA 0.924 5.449 4.527 -0.002 0.000 0.310 269 F C -0.583 175.236 175.800 0.032 0.000 1.102 269 F CA -0.827 57.173 58.000 -0.000 0.000 0.952 269 F CB 1.375 40.374 39.000 -0.002 0.000 1.326 269 F HN 0.537 nan 8.300 nan 0.000 0.456 270 E N 0.795 121.133 120.200 0.230 0.000 2.372 270 E HA 0.593 4.942 4.350 -0.002 0.000 0.279 270 E C -1.936 174.789 176.600 0.207 0.000 0.946 270 E CA -1.111 55.368 56.400 0.131 0.000 0.769 270 E CB 3.318 33.093 29.700 0.125 0.000 1.230 270 E HN 0.526 nan 8.360 nan 0.000 0.442 271 V N 2.903 122.869 119.914 0.086 0.000 2.448 271 V HA 0.376 4.494 4.120 -0.002 0.000 0.295 271 V C -0.298 175.782 176.094 -0.022 0.000 1.025 271 V CA -0.673 61.701 62.300 0.124 0.000 0.859 271 V CB 1.277 33.167 31.823 0.111 0.000 0.988 271 V HN 0.619 nan 8.190 nan 0.000 0.431 272 H N 2.938 122.067 119.070 0.097 0.000 2.693 272 H HA 0.606 5.160 4.556 -0.002 0.000 0.348 272 H C -1.165 174.241 175.328 0.130 0.000 1.222 272 H CA -0.638 55.469 56.048 0.098 0.000 1.270 272 H CB 2.540 32.342 29.762 0.067 0.000 1.798 272 H HN 0.625 nan 8.280 nan 0.000 0.592 273 H N 0.639 119.802 119.070 0.155 0.000 2.947 273 H HA 0.073 4.627 4.556 -0.002 0.000 0.354 273 H C -0.183 175.202 175.328 0.094 0.000 1.085 273 H CA -0.282 55.822 56.048 0.092 0.000 1.253 273 H CB 1.779 31.569 29.762 0.047 0.000 1.757 273 H HN 0.702 nan 8.280 nan 0.000 0.523 274 E N 2.631 122.731 120.200 -0.167 0.000 2.017 274 E HA -0.135 4.214 4.350 -0.002 0.000 0.193 274 E C 0.033 176.679 176.600 0.077 0.000 0.997 274 E CA 1.038 57.415 56.400 -0.039 0.000 0.804 274 E CB 0.110 29.754 29.700 -0.094 0.000 0.757 274 E HN 0.574 nan 8.360 nan 0.000 0.448 275 E N 0.074 120.351 120.200 0.128 0.000 2.311 275 E HA -0.007 4.341 4.350 -0.002 0.000 0.285 275 E C 0.148 176.901 176.600 0.255 0.000 1.122 275 E CA 0.450 56.992 56.400 0.237 0.000 1.145 275 E CB -0.399 29.488 29.700 0.311 0.000 1.066 275 E HN 0.313 nan 8.360 nan 0.000 0.461 276 I N -1.119 119.549 120.570 0.163 0.000 5.409 276 I HA 0.136 4.305 4.170 -0.002 0.000 0.367 276 I C 1.099 177.268 176.117 0.088 0.000 1.127 276 I CA 0.206 61.578 61.300 0.119 0.000 1.619 276 I CB 0.185 38.261 38.000 0.126 0.000 2.019 276 I HN 0.535 nan 8.210 nan 0.000 0.684 277 G N 2.059 110.909 108.800 0.084 0.000 2.481 277 G HA2 -0.071 3.888 3.960 -0.002 0.000 0.230 277 G HA3 -0.071 3.888 3.960 -0.002 0.000 0.230 277 G C 0.107 175.046 174.900 0.066 0.000 1.210 277 G CA -0.105 45.032 45.100 0.061 0.000 0.936 277 G HN 0.699 nan 8.290 nan 0.000 0.583 278 A N -1.038 121.813 122.820 0.052 0.000 2.409 278 A HA 0.557 4.876 4.320 -0.002 0.000 0.246 278 A C 1.171 178.793 177.584 0.063 0.000 1.099 278 A CA 1.898 53.968 52.037 0.054 0.000 0.789 278 A CB -0.112 18.910 19.000 0.036 0.000 1.053 278 A HN 2.050 nan 8.150 nan 0.000 0.503 279 Q N -0.928 118.912 119.800 0.068 0.000 2.478 279 Q HA -0.154 4.184 4.340 -0.002 0.000 0.286 279 Q C 0.989 177.037 176.000 0.080 0.000 1.299 279 Q CA 1.062 56.900 55.803 0.057 0.000 0.826 279 Q CB -2.418 26.341 28.738 0.035 0.000 1.199 279 Q HN 1.127 nan 8.270 nan 0.000 0.451 280 S N -2.200 113.584 115.700 0.140 0.000 2.555 280 S HA 0.295 4.764 4.470 -0.002 0.000 0.230 280 S C 0.989 175.660 174.600 0.118 0.000 0.978 280 S CA 0.116 58.431 58.200 0.192 0.000 0.934 280 S CB 0.336 63.699 63.200 0.272 0.000 0.766 280 S HN 0.630 nan 8.310 nan 0.000 0.533 281 A N 1.579 124.366 122.820 -0.055 0.000 2.396 281 A HA 0.582 4.901 4.320 -0.002 0.000 0.279 281 A C 1.004 178.501 177.584 -0.144 0.000 1.165 281 A CA -0.494 51.311 52.037 -0.387 0.000 0.824 281 A CB -0.112 18.677 19.000 -0.352 0.000 1.100 281 A HN 0.489 nan 8.150 nan 0.000 0.516 282 L N 2.587 123.740 121.223 -0.118 0.000 2.162 282 L HA 0.258 4.597 4.340 -0.002 0.000 0.205 282 L C 1.358 178.262 176.870 0.057 0.000 1.086 282 L CA 1.005 55.829 54.840 -0.026 0.000 0.778 282 L CB -0.242 41.782 42.059 -0.059 0.000 0.928 282 L HN 0.831 nan 8.230 nan 0.000 0.446 283 G N -1.693 107.126 108.800 0.031 0.000 2.451 283 G HA2 0.530 4.489 3.960 -0.002 0.000 0.292 283 G HA3 0.530 4.489 3.960 -0.002 0.000 0.292 283 G C -1.409 173.538 174.900 0.077 0.000 1.427 283 G CA 0.032 45.225 45.100 0.156 0.000 0.792 283 G HN 0.154 nan 8.290 nan 0.000 0.498 284 G N -2.157 106.709 108.800 0.110 0.000 2.554 284 G HA2 1.020 4.979 3.960 -0.002 0.000 0.306 284 G HA3 1.020 4.979 3.960 -0.002 0.000 0.306 284 G C -0.224 174.567 174.900 -0.182 0.000 1.320 284 G CA 0.607 45.655 45.100 -0.087 0.000 0.800 284 G HN 2.196 nan 8.290 nan 0.000 0.481 285 G N -2.461 105.919 108.800 -0.700 0.000 2.335 285 G HA2 0.866 4.824 3.960 -0.002 0.000 0.291 285 G HA3 0.866 4.824 3.960 -0.002 0.000 0.291 285 G C -0.250 174.201 174.900 -0.748 0.000 1.261 285 G CA 0.853 45.672 45.100 -0.469 0.000 0.871 285 G HN 2.365 nan 8.290 nan 0.000 0.491 286 G N -1.305 107.496 108.800 0.002 0.000 2.317 286 G HA2 0.580 4.539 3.960 -0.002 0.000 0.293 286 G HA3 0.580 4.539 3.960 -0.002 0.000 0.293 286 G C -1.217 173.994 174.900 0.518 0.000 1.287 286 G CA -0.201 45.021 45.100 0.203 0.000 0.850 286 G HN 0.697 nan 8.290 nan 0.000 0.515 287 R N -0.864 119.859 120.500 0.371 0.000 2.500 287 R HA 0.636 4.974 4.340 -0.002 0.000 0.275 287 R C -0.579 175.869 176.300 0.246 0.000 1.051 287 R CA -0.554 55.635 56.100 0.147 0.000 1.088 287 R CB 0.523 30.851 30.300 0.047 0.000 1.063 287 R HN 0.929 nan 8.270 nan 0.000 0.511 288 Y N -0.502 119.843 120.300 0.075 0.000 2.721 288 Y HA 0.353 4.902 4.550 -0.002 0.000 0.284 288 Y C -1.491 174.358 175.900 -0.085 0.000 0.976 288 Y CA -1.464 56.623 58.100 -0.020 0.000 1.142 288 Y CB -0.400 37.883 38.460 -0.295 0.000 1.168 288 Y HN 0.408 nan 8.280 nan 0.000 0.615 289 D N 1.235 121.569 120.400 -0.111 0.000 2.399 289 D HA 0.445 5.084 4.640 -0.002 0.000 0.241 289 D C 1.372 177.666 176.300 -0.010 0.000 1.133 289 D CA 1.780 55.720 54.000 -0.100 0.000 0.890 289 D CB 1.347 42.086 40.800 -0.103 0.000 1.201 289 D HN 0.803 nan 8.370 nan 0.000 0.432 290 G N 0.502 109.293 108.800 -0.015 0.000 2.258 290 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.233 290 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.233 290 G C 0.984 175.895 174.900 0.018 0.000 1.006 290 G CA 0.330 45.435 45.100 0.008 0.000 0.620 290 G HN 0.487 nan 8.290 nan 0.000 0.511 291 L N 2.584 123.827 121.223 0.032 0.000 2.042 291 L HA 0.045 4.383 4.340 -0.002 0.000 0.210 291 L C 2.990 179.844 176.870 -0.025 0.000 1.076 291 L CA 3.473 58.317 54.840 0.006 0.000 0.749 291 L CB -0.881 41.133 42.059 -0.075 0.000 0.893 291 L HN 0.819 nan 8.230 nan 0.000 0.432 292 S N -1.129 114.550 115.700 -0.036 0.000 2.370 292 S HA -0.256 4.212 4.470 -0.002 0.000 0.226 292 S C 1.804 176.386 174.600 -0.029 0.000 1.033 292 S CA 1.450 59.623 58.200 -0.046 0.000 1.011 292 S CB -0.855 62.308 63.200 -0.063 0.000 0.852 292 S HN 0.660 nan 8.310 nan 0.000 0.457 293 E N 1.378 121.566 120.200 -0.020 0.000 2.106 293 E HA 0.021 4.369 4.350 -0.002 0.000 0.192 293 E C 2.034 178.628 176.600 -0.011 0.000 0.984 293 E CA 1.119 57.512 56.400 -0.013 0.000 0.806 293 E CB -0.409 29.286 29.700 -0.007 0.000 0.750 293 E HN 0.505 nan 8.360 nan 0.000 0.458 294 L N 0.462 121.681 121.223 -0.006 0.000 2.191 294 L HA -0.146 4.192 4.340 -0.002 0.000 0.212 294 L C 1.838 178.697 176.870 -0.019 0.000 1.103 294 L CA 0.749 55.587 54.840 -0.003 0.000 0.769 294 L CB -0.170 41.898 42.059 0.015 0.000 0.908 294 L HN 0.181 nan 8.230 nan 0.000 0.438 295 L N -0.413 120.792 121.223 -0.031 0.000 2.629 295 L HA 0.227 4.565 4.340 -0.002 0.000 0.230 295 L C 1.235 178.079 176.870 -0.043 0.000 1.151 295 L CA 0.300 55.112 54.840 -0.048 0.000 0.924 295 L CB -0.314 41.705 42.059 -0.065 0.000 1.137 295 L HN 0.403 nan 8.230 nan 0.000 0.457 296 G N 0.197 108.979 108.800 -0.030 0.000 2.137 296 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.237 296 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.237 296 G C 0.349 175.235 174.900 -0.024 0.000 1.002 296 G CA -0.057 45.028 45.100 -0.026 0.000 0.702 296 G HN 0.537 nan 8.290 nan 0.000 0.515 297 G N -0.776 108.012 108.800 -0.021 0.000 2.820 297 G HA2 0.826 4.784 3.960 -0.002 0.000 0.291 297 G HA3 0.826 4.784 3.960 -0.002 0.000 0.291 297 G C -2.184 172.711 174.900 -0.008 0.000 1.323 297 G CA -1.002 44.091 45.100 -0.013 0.000 1.055 297 G HN 0.200 nan 8.290 nan 0.000 0.520 298 P HA 0.253 nan 4.420 nan 0.000 0.286 298 P C -0.315 176.981 177.300 -0.007 0.000 1.293 298 P CA -0.615 62.486 63.100 0.001 0.000 0.770 298 P CB 0.488 32.196 31.700 0.013 0.000 1.206 299 R N 0.229 120.723 120.500 -0.010 0.000 2.347 299 R HA 0.364 4.702 4.340 -0.002 0.000 0.304 299 R C -1.428 174.849 176.300 -0.039 0.000 1.072 299 R CA -0.078 56.007 56.100 -0.024 0.000 0.980 299 R CB -0.222 30.066 30.300 -0.020 0.000 0.986 299 R HN 0.186 nan 8.270 nan 0.000 0.448 300 V N 7.789 127.655 119.914 -0.080 0.000 2.462 300 V HA 0.305 4.424 4.120 -0.002 0.000 0.288 300 V C -2.260 173.720 176.094 -0.190 0.000 1.020 300 V CA -1.875 60.336 62.300 -0.149 0.000 0.857 300 V CB 1.705 33.371 31.823 -0.262 0.000 1.013 300 V HN 0.842 nan 8.190 nan 0.000 0.431 301 P HA 0.580 nan 4.420 nan 0.000 0.274 301 P C 0.081 177.181 177.300 -0.333 0.000 1.237 301 P CA 0.087 63.058 63.100 -0.216 0.000 0.793 301 P CB 1.037 32.655 31.700 -0.136 0.000 0.977 302 G N -0.549 107.930 108.800 -0.535 0.000 2.667 302 G HA2 0.555 4.513 3.960 -0.002 0.000 0.294 302 G HA3 0.555 4.513 3.960 -0.002 0.000 0.294 302 G C -1.704 172.604 174.900 -0.987 0.000 1.467 302 G CA -0.549 44.114 45.100 -0.729 0.000 0.852 302 G HN 0.386 nan 8.290 nan 0.000 0.521 303 V N -0.900 118.765 119.914 -0.415 0.000 3.078 303 V HA 1.077 5.195 4.120 -0.002 0.000 0.311 303 V C 0.533 176.777 176.094 0.249 0.000 1.138 303 V CA -0.156 62.134 62.300 -0.016 0.000 1.007 303 V CB 1.329 33.253 31.823 0.168 0.000 1.045 303 V HN 2.101 nan 8.190 nan 0.000 0.432 304 G N 0.641 109.740 108.800 0.498 0.000 2.342 304 G HA2 0.767 4.726 3.960 -0.002 0.000 0.297 304 G HA3 0.767 4.726 3.960 -0.002 0.000 0.297 304 G C -1.722 173.558 174.900 0.633 0.000 1.313 304 G CA 0.049 45.426 45.100 0.462 0.000 0.830 304 G HN 1.773 nan 8.290 nan 0.000 0.506 305 F N -2.341 117.880 119.950 0.451 0.000 2.831 305 F HA 0.966 5.491 4.527 -0.002 0.000 0.318 305 F C -0.451 175.515 175.800 0.277 0.000 1.174 305 F CA -1.103 57.094 58.000 0.329 0.000 0.918 305 F CB 1.371 40.654 39.000 0.471 0.000 1.364 305 F HN 1.566 nan 8.300 nan 0.000 0.475 306 A N 1.011 124.133 122.820 0.503 0.000 2.589 306 A HA 0.801 5.120 4.320 -0.002 0.000 0.296 306 A C -2.065 175.787 177.584 0.447 0.000 1.062 306 A CA -0.521 51.687 52.037 0.286 0.000 0.686 306 A CB 1.309 20.388 19.000 0.131 0.000 1.282 306 A HN 1.646 nan 8.150 nan 0.000 0.404 307 F N -0.152 119.966 119.950 0.280 0.000 2.601 307 F HA 0.788 5.313 4.527 -0.002 0.000 0.309 307 F C 0.226 176.103 175.800 0.129 0.000 1.089 307 F CA -0.943 57.169 58.000 0.187 0.000 0.940 307 F CB 1.271 40.379 39.000 0.179 0.000 1.273 307 F HN 0.849 nan 8.300 nan 0.000 0.450 308 G N 2.022 111.031 108.800 0.348 0.000 2.360 308 G HA2 0.414 4.373 3.960 -0.002 0.000 0.279 308 G HA3 0.414 4.373 3.960 -0.002 0.000 0.279 308 G C 0.456 175.498 174.900 0.237 0.000 1.189 308 G CA -0.484 44.752 45.100 0.225 0.000 0.941 308 G HN 0.765 nan 8.290 nan 0.000 0.445 309 V N 2.942 122.925 119.914 0.115 0.000 2.332 309 V HA -0.198 3.921 4.120 -0.002 0.000 0.248 309 V C 2.680 178.681 176.094 -0.154 0.000 1.055 309 V CA 2.292 64.579 62.300 -0.021 0.000 1.038 309 V CB -0.489 31.174 31.823 -0.268 0.000 0.651 309 V HN 0.709 nan 8.190 nan 0.000 0.450 310 E N -0.152 119.964 120.200 -0.139 0.000 2.077 310 E HA -0.162 4.186 4.350 -0.002 0.000 0.193 310 E C 2.456 179.066 176.600 0.016 0.000 0.989 310 E CA 0.945 57.309 56.400 -0.060 0.000 0.800 310 E CB -0.286 29.332 29.700 -0.137 0.000 0.746 310 E HN 0.381 nan 8.360 nan 0.000 0.452 311 R N 0.273 120.788 120.500 0.026 0.000 2.073 311 R HA -0.085 4.254 4.340 -0.002 0.000 0.234 311 R C 2.374 178.661 176.300 -0.021 0.000 1.134 311 R CA 1.116 57.232 56.100 0.028 0.000 0.952 311 R CB -1.027 29.293 30.300 0.035 0.000 0.850 311 R HN 0.170 nan 8.270 nan 0.000 0.433 312 V N 1.407 121.308 119.914 -0.022 0.000 2.392 312 V HA -0.238 3.881 4.120 -0.002 0.000 0.249 312 V C 2.573 178.604 176.094 -0.105 0.000 1.059 312 V CA 1.835 64.073 62.300 -0.104 0.000 1.051 312 V CB -0.877 30.884 31.823 -0.103 0.000 0.658 312 V HN 0.343 nan 8.190 nan 0.000 0.455 313 A N -0.313 122.475 122.820 -0.052 0.000 1.902 313 A HA -0.143 4.176 4.320 -0.002 0.000 0.217 313 A C 2.231 179.811 177.584 -0.006 0.000 1.181 313 A CA 1.698 53.727 52.037 -0.014 0.000 0.623 313 A CB -0.485 18.544 19.000 0.048 0.000 0.818 313 A HN 0.495 nan 8.150 nan 0.000 0.443 314 L N -0.853 120.369 121.223 -0.002 0.000 2.046 314 L HA -0.208 4.130 4.340 -0.002 0.000 0.208 314 L C 3.140 179.971 176.870 -0.065 0.000 1.077 314 L CA 1.096 55.938 54.840 0.003 0.000 0.747 314 L CB -0.583 41.494 42.059 0.029 0.000 0.896 314 L HN 0.456 nan 8.230 nan 0.000 0.432 315 A N 0.085 122.793 122.820 -0.186 0.000 1.908 315 A HA -0.196 4.123 4.320 -0.002 0.000 0.218 315 A C 2.250 179.680 177.584 -0.256 0.000 1.181 315 A CA 1.509 53.257 52.037 -0.481 0.000 0.627 315 A CB -0.723 17.860 19.000 -0.694 0.000 0.818 315 A HN 0.350 nan 8.150 nan 0.000 0.445 316 L N -0.902 120.244 121.223 -0.129 0.000 2.017 316 L HA -0.224 4.115 4.340 -0.002 0.000 0.208 316 L C 2.714 179.681 176.870 0.162 0.000 1.073 316 L CA 1.938 56.790 54.840 0.019 0.000 0.745 316 L CB -0.459 41.567 42.059 -0.055 0.000 0.894 316 L HN 0.621 nan 8.230 nan 0.000 0.432 317 E N 0.224 120.471 120.200 0.078 0.000 2.085 317 E HA -0.270 4.079 4.350 -0.002 0.000 0.194 317 E C 2.188 178.834 176.600 0.076 0.000 0.994 317 E CA 1.254 57.703 56.400 0.081 0.000 0.801 317 E CB -0.028 29.704 29.700 0.053 0.000 0.743 317 E HN 0.464 nan 8.360 nan 0.000 0.453 318 A N 1.168 124.028 122.820 0.066 0.000 1.940 318 A HA -0.193 4.126 4.320 -0.002 0.000 0.219 318 A C 1.732 179.386 177.584 0.117 0.000 1.176 318 A CA 1.549 53.642 52.037 0.094 0.000 0.631 318 A CB -0.409 18.671 19.000 0.133 0.000 0.814 318 A HN 0.331 nan 8.150 nan 0.000 0.446 319 E N -1.161 119.135 120.200 0.160 0.000 2.463 319 E HA 0.261 4.610 4.350 -0.002 0.000 0.191 319 E C 0.964 177.546 176.600 -0.030 0.000 1.083 319 E CA 0.222 56.717 56.400 0.158 0.000 0.872 319 E CB -0.296 29.610 29.700 0.345 0.000 0.966 319 E HN 0.750 nan 8.360 nan 0.000 0.491 320 G N 1.438 110.229 108.800 -0.016 0.000 2.153 320 G HA2 -0.298 3.660 3.960 -0.002 0.000 0.252 320 G HA3 -0.298 3.660 3.960 -0.002 0.000 0.252 320 G C -0.075 174.714 174.900 -0.185 0.000 0.994 320 G CA -0.212 44.820 45.100 -0.114 0.000 0.698 320 G HN 0.239 nan 8.290 nan 0.000 0.521 321 F N 1.557 121.503 119.950 -0.007 0.000 2.444 321 F HA 0.537 5.063 4.527 -0.002 0.000 0.360 321 F C 1.306 177.102 175.800 -0.007 0.000 1.106 321 F CA 0.626 58.619 58.000 -0.011 0.000 1.170 321 F CB 1.174 40.162 39.000 -0.020 0.000 1.113 321 F HN 0.223 nan 8.300 nan 0.000 0.521 322 G N 2.943 111.820 108.800 0.128 0.000 2.820 322 G HA2 0.691 4.650 3.960 -0.002 0.000 0.291 322 G HA3 0.691 4.650 3.960 -0.002 0.000 0.291 322 G C -1.814 173.137 174.900 0.085 0.000 1.323 322 G CA -0.641 44.508 45.100 0.082 0.000 1.055 322 G HN 0.345 nan 8.290 nan 0.000 0.520 323 L N 1.068 122.323 121.223 0.054 0.000 2.381 323 L HA 0.574 4.912 4.340 -0.002 0.000 0.268 323 L C -1.979 174.909 176.870 0.031 0.000 0.997 323 L CA -1.986 52.881 54.840 0.045 0.000 0.818 323 L CB 2.066 44.147 42.059 0.036 0.000 1.310 323 L HN 0.360 nan 8.230 nan 0.000 0.416 324 P HA 0.194 nan 4.420 nan 0.000 0.278 324 P C -0.621 176.690 177.300 0.018 0.000 1.238 324 P CA -0.572 62.540 63.100 0.021 0.000 0.794 324 P CB 0.688 32.401 31.700 0.021 0.000 0.955 325 E N 1.201 121.409 120.200 0.013 0.000 2.696 325 E HA -0.145 4.203 4.350 -0.002 0.000 0.270 325 E C 0.259 176.868 176.600 0.016 0.000 0.958 325 E CA 0.664 57.071 56.400 0.012 0.000 0.964 325 E CB 0.165 29.869 29.700 0.007 0.000 0.948 325 E HN 0.446 nan 8.360 nan 0.000 0.472 326 E N 2.315 122.526 120.200 0.018 0.000 2.417 326 E HA -0.059 4.290 4.350 -0.002 0.000 0.261 326 E C -0.372 176.240 176.600 0.019 0.000 1.000 326 E CA 0.309 56.723 56.400 0.023 0.000 0.919 326 E CB 0.336 30.054 29.700 0.030 0.000 0.955 326 E HN 0.129 nan 8.360 nan 0.000 0.455 327 K N 2.515 122.929 120.400 0.022 0.000 2.436 327 K HA 0.229 4.548 4.320 -0.002 0.000 0.275 327 K C 0.346 176.959 176.600 0.021 0.000 0.999 327 K CA 0.293 56.593 56.287 0.022 0.000 0.980 327 K CB 0.834 33.351 32.500 0.028 0.000 0.919 327 K HN 0.667 nan 8.250 nan 0.000 0.484 328 G N 2.589 111.400 108.800 0.018 0.000 2.557 328 G HA2 0.380 4.339 3.960 -0.002 0.000 0.302 328 G HA3 0.380 4.339 3.960 -0.002 0.000 0.302 328 G C -2.491 172.432 174.900 0.038 0.000 1.311 328 G CA -1.137 43.972 45.100 0.015 0.000 1.030 328 G HN 0.380 nan 8.290 nan 0.000 0.509 329 P HA 0.176 nan 4.420 nan 0.000 0.275 329 P C -0.299 177.067 177.300 0.110 0.000 1.228 329 P CA -0.268 62.883 63.100 0.085 0.000 0.786 329 P CB 1.568 33.337 31.700 0.115 0.000 0.927 330 D N 0.572 121.044 120.400 0.120 0.000 2.144 330 D HA -0.043 4.596 4.640 -0.002 0.000 0.200 330 D C 0.627 177.059 176.300 0.221 0.000 0.978 330 D CA 1.589 55.686 54.000 0.161 0.000 0.833 330 D CB 0.012 40.885 40.800 0.122 0.000 0.961 330 D HN 0.207 nan 8.370 nan 0.000 0.470 331 L N -0.604 120.725 121.223 0.175 0.000 2.431 331 L HA 0.371 4.710 4.340 -0.002 0.000 0.266 331 L C -1.942 175.047 176.870 0.197 0.000 0.978 331 L CA -1.068 53.883 54.840 0.185 0.000 0.822 331 L CB 2.281 44.404 42.059 0.106 0.000 1.310 331 L HN -0.161 nan 8.230 nan 0.000 0.409 332 Y N 5.289 125.616 120.300 0.044 0.000 2.376 332 Y HA 0.612 5.160 4.550 -0.003 0.000 0.326 332 Y C -1.381 174.509 175.900 -0.016 0.000 0.970 332 Y CA -0.766 57.341 58.100 0.012 0.000 1.248 332 Y CB 1.082 39.533 38.460 -0.016 0.000 1.117 332 Y HN 0.571 nan 8.280 nan 0.000 0.476 333 L N 7.819 128.823 121.223 -0.365 0.000 2.319 333 L HA 0.373 4.712 4.340 -0.002 0.000 0.280 333 L C -0.072 176.529 176.870 -0.448 0.000 1.099 333 L CA -0.335 54.331 54.840 -0.291 0.000 0.828 333 L CB 0.989 42.979 42.059 -0.115 0.000 1.150 333 L HN 0.669 nan 8.230 nan 0.000 0.442 334 I N 5.482 125.880 120.570 -0.287 0.000 2.382 334 I HA 0.462 4.630 4.170 -0.002 0.000 0.285 334 I C -2.517 173.594 176.117 -0.010 0.000 1.007 334 I CA -2.296 58.913 61.300 -0.152 0.000 1.142 334 I CB 2.088 40.053 38.000 -0.059 0.000 1.289 334 I HN 0.329 nan 8.210 nan 0.000 0.453 335 P HA 0.250 nan 4.420 nan 0.000 0.280 335 P C 0.155 177.497 177.300 0.070 0.000 1.244 335 P CA -0.272 62.846 63.100 0.030 0.000 0.784 335 P CB 1.152 32.855 31.700 0.004 0.000 0.913 336 L N 0.998 122.269 121.223 0.079 0.000 2.513 336 L HA 0.170 4.508 4.340 -0.002 0.000 0.222 336 L C 1.108 178.006 176.870 0.046 0.000 1.096 336 L CA 0.539 55.426 54.840 0.078 0.000 0.857 336 L CB -0.150 41.960 42.059 0.085 0.000 1.026 336 L HN 0.451 nan 8.230 nan 0.000 0.469 337 T N -5.429 109.145 114.554 0.033 0.000 2.901 337 T HA 0.273 4.621 4.350 -0.002 0.000 0.293 337 T C 0.490 175.198 174.700 0.013 0.000 1.084 337 T CA -0.609 61.504 62.100 0.021 0.000 1.008 337 T CB 2.601 71.480 68.868 0.017 0.000 1.170 337 T HN -0.128 nan 8.240 nan 0.000 0.509 338 E N 0.518 120.724 120.200 0.009 0.000 2.077 338 E HA -0.149 4.200 4.350 -0.002 0.000 0.193 338 E C 1.874 178.471 176.600 -0.006 0.000 0.989 338 E CA 1.843 58.245 56.400 0.003 0.000 0.800 338 E CB -0.212 29.491 29.700 0.004 0.000 0.746 338 E HN 0.829 nan 8.360 nan 0.000 0.452 339 E N -0.572 119.629 120.200 0.000 0.000 2.160 339 E HA -0.233 4.115 4.350 -0.002 0.000 0.195 339 E C 1.796 178.387 176.600 -0.015 0.000 0.991 339 E CA 1.035 57.435 56.400 0.001 0.000 0.810 339 E CB -0.206 29.502 29.700 0.012 0.000 0.742 339 E HN 0.344 nan 8.360 nan 0.000 0.466 340 A N 0.807 123.619 122.820 -0.014 0.000 2.015 340 A HA -0.127 4.191 4.320 -0.002 0.000 0.219 340 A C 2.397 179.937 177.584 -0.073 0.000 1.163 340 A CA 1.402 53.422 52.037 -0.028 0.000 0.646 340 A CB -0.834 18.165 19.000 -0.002 0.000 0.806 340 A HN 0.334 nan 8.150 nan 0.000 0.448 341 V N -1.979 117.894 119.914 -0.068 0.000 2.287 341 V HA -0.208 3.910 4.120 -0.002 0.000 0.248 341 V C 2.495 178.459 176.094 -0.216 0.000 1.053 341 V CA 2.211 64.454 62.300 -0.096 0.000 1.027 341 V CB -1.602 30.193 31.823 -0.047 0.000 0.646 341 V HN 0.497 nan 8.190 nan 0.000 0.447 342 A N -0.153 122.523 122.820 -0.240 0.000 1.930 342 A HA -0.118 4.200 4.320 -0.002 0.000 0.217 342 A C 2.171 179.283 177.584 -0.787 0.000 1.175 342 A CA 1.562 53.319 52.037 -0.468 0.000 0.627 342 A CB -0.586 18.216 19.000 -0.330 0.000 0.815 342 A HN 0.598 nan 8.150 nan 0.000 0.443 343 E N 0.156 120.133 120.200 -0.371 0.000 2.110 343 E HA -0.134 4.214 4.350 -0.002 0.000 0.193 343 E C 2.307 178.778 176.600 -0.215 0.000 0.988 343 E CA 1.197 57.495 56.400 -0.170 0.000 0.804 343 E CB -0.603 29.089 29.700 -0.014 0.000 0.745 343 E HN 0.581 nan 8.360 nan 0.000 0.458 344 A N 1.078 123.747 122.820 -0.252 0.000 1.877 344 A HA -0.181 4.137 4.320 -0.002 0.000 0.216 344 A C 2.071 179.394 177.584 -0.435 0.000 1.186 344 A CA 1.332 53.220 52.037 -0.249 0.000 0.620 344 A CB -0.798 18.086 19.000 -0.193 0.000 0.822 344 A HN 0.294 nan 8.150 nan 0.000 0.443 345 F N 0.045 119.448 119.950 -0.913 0.000 2.095 345 F HA -0.197 4.329 4.527 -0.003 0.000 0.298 345 F C 2.052 177.600 175.800 -0.421 0.000 1.104 345 F CA 1.418 58.775 58.000 -1.071 0.000 1.232 345 F CB -0.775 37.628 39.000 -0.996 0.000 0.987 345 F HN 0.313 nan 8.300 nan 0.000 0.475 346 Y N 0.045 120.011 120.300 -0.557 0.000 2.181 346 Y HA -0.163 4.385 4.550 -0.003 0.000 0.288 346 Y C 2.408 178.100 175.900 -0.347 0.000 1.146 346 Y CA 1.249 59.032 58.100 -0.528 0.000 1.164 346 Y CB -1.585 36.702 38.460 -0.288 0.000 0.982 346 Y HN 0.205 nan 8.280 nan 0.000 0.515 347 L N 0.321 121.491 121.223 -0.087 0.000 2.017 347 L HA -0.119 4.220 4.340 -0.002 0.000 0.208 347 L C 2.407 179.234 176.870 -0.072 0.000 1.073 347 L CA 1.975 56.775 54.840 -0.067 0.000 0.745 347 L CB -1.214 40.813 42.059 -0.053 0.000 0.894 347 L HN 0.133 nan 8.230 nan 0.000 0.432 348 A N -0.881 121.891 122.820 -0.080 0.000 1.892 348 A HA -0.237 4.082 4.320 -0.002 0.000 0.218 348 A C 2.212 179.790 177.584 -0.010 0.000 1.188 348 A CA 1.881 53.930 52.037 0.019 0.000 0.631 348 A CB -0.719 18.392 19.000 0.186 0.000 0.822 348 A HN 0.531 nan 8.150 nan 0.000 0.447 349 E N -0.302 119.824 120.200 -0.123 0.000 2.160 349 E HA -0.140 4.209 4.350 -0.002 0.000 0.195 349 E C 2.250 178.805 176.600 -0.076 0.000 0.991 349 E CA 1.174 57.500 56.400 -0.122 0.000 0.810 349 E CB -0.438 29.084 29.700 -0.297 0.000 0.742 349 E HN 0.586 nan 8.360 nan 0.000 0.466 350 A N 0.412 123.185 122.820 -0.079 0.000 2.014 350 A HA -0.064 4.255 4.320 -0.002 0.000 0.218 350 A C 2.253 179.820 177.584 -0.029 0.000 1.163 350 A CA 0.688 52.692 52.037 -0.054 0.000 0.652 350 A CB -0.335 18.632 19.000 -0.055 0.000 0.808 350 A HN 0.184 nan 8.150 nan 0.000 0.449 351 L N -1.019 120.193 121.223 -0.018 0.000 2.270 351 L HA 0.056 4.395 4.340 -0.002 0.000 0.210 351 L C 1.039 177.916 176.870 0.011 0.000 1.104 351 L CA 0.135 54.974 54.840 -0.002 0.000 0.804 351 L CB -0.242 41.820 42.059 0.006 0.000 0.937 351 L HN 0.232 nan 8.230 nan 0.000 0.450 352 R N 0.943 121.455 120.500 0.019 0.000 2.560 352 R HA 0.138 4.477 4.340 -0.002 0.000 0.270 352 R C -1.455 174.857 176.300 0.021 0.000 1.074 352 R CA -1.159 54.960 56.100 0.031 0.000 1.140 352 R CB 0.140 30.471 30.300 0.051 0.000 1.073 352 R HN -0.094 nan 8.270 nan 0.000 0.527 353 P HA 0.085 nan 4.420 nan 0.000 0.261 353 P C 0.591 177.908 177.300 0.027 0.000 1.268 353 P CA 0.213 63.332 63.100 0.031 0.000 0.833 353 P CB 0.466 32.184 31.700 0.031 0.000 1.231 354 R N -0.245 120.267 120.500 0.020 0.000 2.159 354 R HA 0.005 4.344 4.340 -0.002 0.000 0.237 354 R C 0.446 176.759 176.300 0.022 0.000 1.131 354 R CA 1.085 57.196 56.100 0.018 0.000 0.982 354 R CB -0.655 29.651 30.300 0.011 0.000 0.868 354 R HN 0.134 nan 8.270 nan 0.000 0.453 355 L N -0.209 121.030 121.223 0.026 0.000 2.381 355 L HA 0.444 4.782 4.340 -0.002 0.000 0.268 355 L C -0.715 176.183 176.870 0.046 0.000 0.997 355 L CA -0.939 53.921 54.840 0.033 0.000 0.818 355 L CB 1.891 43.964 42.059 0.024 0.000 1.310 355 L HN -0.008 nan 8.230 nan 0.000 0.416 356 R N 2.690 123.224 120.500 0.057 0.000 2.205 356 R HA 0.734 5.072 4.340 -0.002 0.000 0.342 356 R C -1.111 175.239 176.300 0.084 0.000 1.058 356 R CA -0.224 55.916 56.100 0.067 0.000 0.904 356 R CB 0.462 30.800 30.300 0.064 0.000 1.089 356 R HN 0.724 nan 8.270 nan 0.000 0.471 357 A N 4.465 127.341 122.820 0.092 0.000 2.318 357 A HA 0.447 4.766 4.320 -0.002 0.000 0.317 357 A C -0.913 176.757 177.584 0.143 0.000 1.159 357 A CA -0.679 51.426 52.037 0.113 0.000 0.799 357 A CB 1.183 20.242 19.000 0.098 0.000 1.194 357 A HN 0.833 nan 8.150 nan 0.000 0.479 358 E N -0.073 120.209 120.200 0.138 0.000 2.378 358 E HA 0.725 5.073 4.350 -0.002 0.000 0.265 358 E C -1.582 174.989 176.600 -0.049 0.000 0.932 358 E CA -0.612 55.819 56.400 0.052 0.000 0.795 358 E CB 2.293 32.070 29.700 0.128 0.000 1.296 358 E HN 0.726 nan 8.360 nan 0.000 0.438 359 Y N -2.221 117.978 120.300 -0.169 0.000 2.656 359 Y HA 0.720 5.269 4.550 -0.003 0.000 0.334 359 Y C -1.246 174.459 175.900 -0.325 0.000 1.179 359 Y CA -1.543 56.283 58.100 -0.457 0.000 1.050 359 Y CB 0.505 38.836 38.460 -0.215 0.000 1.308 359 Y HN 0.503 nan 8.280 nan 0.000 0.456 360 A N 1.907 124.596 122.820 -0.219 0.000 2.327 360 A HA 0.543 4.861 4.320 -0.002 0.000 0.283 360 A C 0.052 177.716 177.584 0.132 0.000 1.127 360 A CA -0.709 51.335 52.037 0.010 0.000 0.810 360 A CB 0.333 19.361 19.000 0.046 0.000 1.066 360 A HN 0.982 nan 8.150 nan 0.000 0.492 361 L N 0.916 122.197 121.223 0.096 0.000 2.611 361 L HA 0.321 4.660 4.340 -0.002 0.000 0.229 361 L C 0.803 177.702 176.870 0.049 0.000 1.137 361 L CA 0.575 55.472 54.840 0.096 0.000 0.901 361 L CB -0.239 41.851 42.059 0.051 0.000 1.098 361 L HN 0.819 nan 8.230 nan 0.000 0.456 362 A N -0.791 122.058 122.820 0.048 0.000 2.594 362 A HA 0.693 5.012 4.320 -0.002 0.000 0.295 362 A C -2.772 174.836 177.584 0.040 0.000 1.071 362 A CA -1.149 50.908 52.037 0.034 0.000 0.685 362 A CB 1.201 20.219 19.000 0.031 0.000 1.285 362 A HN -0.196 nan 8.150 nan 0.000 0.405 363 P HA 0.459 nan 4.420 nan 0.000 0.272 363 P C -0.777 176.556 177.300 0.054 0.000 1.223 363 P CA -0.072 63.053 63.100 0.042 0.000 0.784 363 P CB 0.470 32.189 31.700 0.032 0.000 0.923 364 R N -0.262 120.281 120.500 0.071 0.000 2.712 364 R HA 0.426 4.765 4.340 -0.002 0.000 0.272 364 R C -1.144 175.213 176.300 0.094 0.000 1.032 364 R CA -1.071 55.076 56.100 0.078 0.000 0.874 364 R CB 0.567 30.922 30.300 0.091 0.000 1.256 364 R HN 0.140 nan 8.270 nan 0.000 0.468 365 K N 1.079 121.529 120.400 0.082 0.000 2.414 365 K HA 0.116 4.435 4.320 -0.002 0.000 0.272 365 K C -1.789 174.891 176.600 0.132 0.000 0.993 365 K CA -1.481 54.854 56.287 0.080 0.000 0.964 365 K CB 0.727 33.260 32.500 0.056 0.000 0.925 365 K HN 0.308 nan 8.250 nan 0.000 0.487 366 P HA -0.244 nan 4.420 nan 0.000 0.215 366 P C 1.085 178.545 177.300 0.266 0.000 1.163 366 P CA 1.982 65.225 63.100 0.239 0.000 0.894 366 P CB 0.157 31.823 31.700 -0.057 0.000 0.791 367 A N -0.293 122.609 122.820 0.138 0.000 1.908 367 A HA -0.273 4.045 4.320 -0.002 0.000 0.218 367 A C 2.072 179.725 177.584 0.116 0.000 1.181 367 A CA 2.141 54.248 52.037 0.116 0.000 0.627 367 A CB -1.117 17.923 19.000 0.066 0.000 0.818 367 A HN 0.179 nan 8.150 nan 0.000 0.445 368 K N -1.004 119.460 120.400 0.106 0.000 2.002 368 K HA -0.085 4.234 4.320 -0.002 0.000 0.209 368 K C 2.177 178.844 176.600 0.111 0.000 1.048 368 K CA 1.168 57.508 56.287 0.090 0.000 0.930 368 K CB -0.542 32.005 32.500 0.078 0.000 0.714 368 K HN 0.453 nan 8.250 nan 0.000 0.438 369 G N 1.530 110.426 108.800 0.161 0.000 2.432 369 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.219 369 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.219 369 G C 1.461 176.459 174.900 0.163 0.000 1.135 369 G CA 0.407 45.624 45.100 0.195 0.000 0.767 369 G HN 0.095 nan 8.290 nan 0.000 0.550 370 L N 0.553 121.876 121.223 0.166 0.000 2.093 370 L HA 0.067 4.406 4.340 -0.002 0.000 0.208 370 L C 2.661 179.564 176.870 0.055 0.000 1.085 370 L CA 2.196 57.110 54.840 0.123 0.000 0.755 370 L CB -0.366 41.814 42.059 0.202 0.000 0.904 370 L HN 0.441 nan 8.230 nan 0.000 0.435 371 E N -0.440 119.792 120.200 0.053 0.000 2.077 371 E HA -0.272 4.077 4.350 -0.002 0.000 0.193 371 E C 1.879 178.457 176.600 -0.038 0.000 0.989 371 E CA 1.648 58.056 56.400 0.013 0.000 0.800 371 E CB -0.087 29.627 29.700 0.023 0.000 0.746 371 E HN 0.643 nan 8.360 nan 0.000 0.452 372 E N 0.052 120.223 120.200 -0.050 0.000 2.150 372 E HA -0.141 4.208 4.350 -0.002 0.000 0.193 372 E C 2.013 178.384 176.600 -0.382 0.000 0.985 372 E CA 0.742 57.041 56.400 -0.169 0.000 0.814 372 E CB -0.075 29.558 29.700 -0.110 0.000 0.752 372 E HN 0.365 nan 8.360 nan 0.000 0.466 373 A N 1.009 123.645 122.820 -0.307 0.000 1.902 373 A HA -0.164 4.155 4.320 -0.002 0.000 0.217 373 A C 2.092 179.558 177.584 -0.196 0.000 1.181 373 A CA 0.987 52.829 52.037 -0.325 0.000 0.623 373 A CB -0.420 18.568 19.000 -0.021 0.000 0.818 373 A HN 0.116 nan 8.150 nan 0.000 0.443 374 L N 0.029 121.183 121.223 -0.114 0.000 2.046 374 L HA -0.127 4.212 4.340 -0.002 0.000 0.208 374 L C 2.397 179.212 176.870 -0.092 0.000 1.077 374 L CA 2.268 57.062 54.840 -0.077 0.000 0.747 374 L CB -0.576 41.458 42.059 -0.043 0.000 0.896 374 L HN 0.498 nan 8.230 nan 0.000 0.432 375 K N -0.572 119.760 120.400 -0.115 0.000 2.280 375 K HA -0.141 4.177 4.320 -0.002 0.000 0.202 375 K C 1.764 178.288 176.600 -0.127 0.000 1.047 375 K CA 1.160 57.383 56.287 -0.107 0.000 0.942 375 K CB 0.074 32.508 32.500 -0.110 0.000 0.739 375 K HN 0.250 nan 8.250 nan 0.000 0.457 376 R N -1.071 119.318 120.500 -0.185 0.000 2.362 376 R HA 0.082 4.420 4.340 -0.002 0.000 0.227 376 R C 0.531 176.769 176.300 -0.103 0.000 0.905 376 R CA 0.506 56.503 56.100 -0.172 0.000 1.067 376 R CB 0.773 30.893 30.300 -0.300 0.000 1.078 376 R HN 0.381 nan 8.270 nan 0.000 0.516 377 G N 1.372 110.121 108.800 -0.084 0.000 2.198 377 G HA2 -0.330 3.628 3.960 -0.002 0.000 0.260 377 G HA3 -0.330 3.628 3.960 -0.002 0.000 0.260 377 G C 0.187 175.070 174.900 -0.028 0.000 1.025 377 G CA 0.251 45.323 45.100 -0.047 0.000 0.769 377 G HN 0.476 nan 8.290 nan 0.000 0.507 378 A N -0.551 122.247 122.820 -0.036 0.000 2.462 378 A HA 0.795 5.114 4.320 -0.002 0.000 0.243 378 A C 1.623 179.220 177.584 0.021 0.000 1.076 378 A CA 0.937 52.987 52.037 0.022 0.000 0.773 378 A CB 0.546 19.579 19.000 0.055 0.000 1.010 378 A HN 1.742 nan 8.150 nan 0.000 0.493 379 A N 2.069 124.931 122.820 0.070 0.000 1.874 379 A HA 0.386 4.705 4.320 -0.002 0.000 0.214 379 A C 0.358 177.867 177.584 -0.123 0.000 1.189 379 A CA 0.885 52.926 52.037 0.006 0.000 0.615 379 A CB -0.179 18.908 19.000 0.146 0.000 0.830 379 A HN 0.692 nan 8.150 nan 0.000 0.443 380 F N -1.646 118.338 119.950 0.055 0.000 2.546 380 F HA 0.659 5.184 4.527 -0.004 0.000 0.320 380 F C 0.298 176.120 175.800 0.037 0.000 1.076 380 F CA -0.643 57.393 58.000 0.060 0.000 0.928 380 F CB 1.963 41.014 39.000 0.086 0.000 1.189 380 F HN 0.166 nan 8.300 nan 0.000 0.465 381 A N 1.181 124.108 122.820 0.178 0.000 2.324 381 A HA 0.818 5.137 4.320 -0.002 0.000 0.330 381 A C -0.283 177.238 177.584 -0.105 0.000 1.165 381 A CA -0.462 51.567 52.037 -0.014 0.000 0.813 381 A CB 0.841 19.749 19.000 -0.153 0.000 1.197 381 A HN 0.932 nan 8.150 nan 0.000 0.484 382 G N 0.682 109.340 108.800 -0.235 0.000 2.626 382 G HA2 0.587 4.546 3.960 -0.002 0.000 0.304 382 G HA3 0.587 4.546 3.960 -0.002 0.000 0.304 382 G C -1.123 173.594 174.900 -0.304 0.000 1.385 382 G CA -0.334 44.657 45.100 -0.182 0.000 0.957 382 G HN 0.392 nan 8.290 nan 0.000 0.504 383 F N 1.357 121.329 119.950 0.036 0.000 2.404 383 F HA 0.544 5.072 4.527 0.002 0.000 0.339 383 F C 0.445 176.246 175.800 0.002 0.000 1.105 383 F CA -0.798 57.214 58.000 0.021 0.000 1.087 383 F CB 2.138 41.154 39.000 0.027 0.000 1.143 383 F HN 0.061 nan 8.300 nan 0.000 0.491 384 L N 3.654 124.985 121.223 0.180 0.000 2.454 384 L HA 0.521 4.859 4.340 -0.002 0.000 0.258 384 L C 0.194 177.114 176.870 0.083 0.000 1.025 384 L CA -0.294 54.601 54.840 0.091 0.000 0.901 384 L CB 0.866 42.942 42.059 0.029 0.000 1.210 384 L HN 0.818 nan 8.230 nan 0.000 0.457 385 G N 0.200 109.045 108.800 0.076 0.000 2.887 385 G HA2 0.282 4.240 3.960 -0.002 0.000 0.277 385 G HA3 0.282 4.240 3.960 -0.002 0.000 0.277 385 G C 0.448 175.365 174.900 0.027 0.000 1.346 385 G CA -0.179 44.949 45.100 0.047 0.000 1.058 385 G HN 0.360 nan 8.290 nan 0.000 0.535 386 E N 0.163 120.372 120.200 0.017 0.000 2.070 386 E HA -0.144 4.204 4.350 -0.002 0.000 0.197 386 E C 2.002 178.607 176.600 0.008 0.000 1.004 386 E CA 1.407 57.814 56.400 0.011 0.000 0.805 386 E CB -0.129 29.574 29.700 0.006 0.000 0.744 386 E HN 0.466 nan 8.360 nan 0.000 0.451 387 D N 0.834 121.237 120.400 0.005 0.000 2.087 387 D HA -0.177 4.462 4.640 -0.002 0.000 0.192 387 D C 1.851 178.154 176.300 0.006 0.000 0.993 387 D CA 1.372 55.373 54.000 0.002 0.000 0.828 387 D CB -0.253 40.544 40.800 -0.005 0.000 0.968 387 D HN 0.394 nan 8.370 nan 0.000 0.448 388 E N 1.198 121.405 120.200 0.013 0.000 2.153 388 E HA -0.136 4.213 4.350 -0.002 0.000 0.194 388 E C 2.598 179.205 176.600 0.012 0.000 0.988 388 E CA 0.358 56.766 56.400 0.014 0.000 0.811 388 E CB -0.723 28.994 29.700 0.028 0.000 0.746 388 E HN 0.348 nan 8.360 nan 0.000 0.466 389 L N 0.373 121.604 121.223 0.015 0.000 2.017 389 L HA -0.111 4.228 4.340 -0.002 0.000 0.208 389 L C 2.959 179.834 176.870 0.010 0.000 1.073 389 L CA 1.375 56.223 54.840 0.014 0.000 0.745 389 L CB -0.310 41.759 42.059 0.016 0.000 0.894 389 L HN 0.075 nan 8.230 nan 0.000 0.432 390 R N -0.552 119.952 120.500 0.007 0.000 2.115 390 R HA -0.049 4.290 4.340 -0.002 0.000 0.226 390 R C 2.101 178.402 176.300 0.001 0.000 1.100 390 R CA 1.113 57.215 56.100 0.004 0.000 0.980 390 R CB -0.167 30.135 30.300 0.003 0.000 0.875 390 R HN 0.307 nan 8.270 nan 0.000 0.445 391 A N -0.202 122.618 122.820 0.000 0.000 2.218 391 A HA 0.196 4.515 4.320 -0.002 0.000 0.209 391 A C 1.256 178.837 177.584 -0.005 0.000 1.168 391 A CA 0.695 52.730 52.037 -0.003 0.000 0.804 391 A CB 0.057 19.055 19.000 -0.004 0.000 0.834 391 A HN 0.408 nan 8.150 nan 0.000 0.482 392 G N -0.271 108.527 108.800 -0.003 0.000 2.221 392 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.265 392 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.265 392 G C -0.168 174.726 174.900 -0.010 0.000 1.041 392 G CA 0.649 45.746 45.100 -0.006 0.000 0.807 392 G HN 0.648 nan 8.290 nan 0.000 0.502 393 E N -1.852 118.343 120.200 -0.007 0.000 2.370 393 E HA 0.791 5.140 4.350 -0.002 0.000 0.259 393 E C -0.491 176.107 176.600 -0.005 0.000 0.947 393 E CA -1.094 55.299 56.400 -0.013 0.000 0.809 393 E CB 2.487 32.178 29.700 -0.014 0.000 1.300 393 E HN 0.255 nan 8.360 nan 0.000 0.419 394 V N 0.536 120.444 119.914 -0.010 0.000 2.888 394 V HA 0.290 4.408 4.120 -0.002 0.000 0.309 394 V C -0.796 175.311 176.094 0.022 0.000 1.114 394 V CA -0.902 61.403 62.300 0.009 0.000 0.940 394 V CB 2.188 34.002 31.823 -0.014 0.000 1.021 394 V HN 0.661 nan 8.190 nan 0.000 0.426 395 T N 5.751 120.363 114.554 0.097 0.000 2.781 395 T HA 0.577 4.926 4.350 -0.002 0.000 0.305 395 T C -0.194 174.627 174.700 0.201 0.000 1.001 395 T CA -0.112 62.077 62.100 0.148 0.000 0.950 395 T CB 0.042 69.039 68.868 0.214 0.000 0.955 395 T HN 0.339 nan 8.240 nan 0.000 0.471 396 L N 3.191 124.478 121.223 0.107 0.000 2.379 396 L HA 0.609 4.947 4.340 -0.002 0.000 0.269 396 L C 0.405 177.441 176.870 0.277 0.000 1.084 396 L CA -0.717 54.217 54.840 0.158 0.000 0.802 396 L CB 1.122 43.203 42.059 0.037 0.000 1.175 396 L HN 0.388 nan 8.230 nan 0.000 0.448 397 K N 2.879 123.497 120.400 0.363 0.000 2.652 397 K HA 0.255 4.573 4.320 -0.002 0.000 0.249 397 K C -0.947 175.745 176.600 0.153 0.000 0.986 397 K CA -0.737 55.720 56.287 0.283 0.000 0.867 397 K CB 1.540 34.206 32.500 0.278 0.000 1.201 397 K HN 0.522 nan 8.250 nan 0.000 0.450 398 R N 5.653 126.128 120.500 -0.042 0.000 2.351 398 R HA 0.102 4.441 4.340 -0.002 0.000 0.318 398 R C 0.792 176.937 176.300 -0.257 0.000 1.055 398 R CA -0.045 55.691 56.100 -0.606 0.000 0.968 398 R CB 0.400 30.322 30.300 -0.629 0.000 0.974 398 R HN 0.732 nan 8.270 nan 0.000 0.439 399 L N 4.212 125.292 121.223 -0.238 0.000 2.131 399 L HA -0.155 4.184 4.340 -0.002 0.000 0.210 399 L C 2.416 179.231 176.870 -0.092 0.000 1.092 399 L CA 1.349 56.126 54.840 -0.106 0.000 0.759 399 L CB -0.570 41.442 42.059 -0.078 0.000 0.903 399 L HN 0.799 nan 8.230 nan 0.000 0.435 400 A N 0.480 123.222 122.820 -0.130 0.000 1.877 400 A HA -0.205 4.114 4.320 -0.002 0.000 0.216 400 A C 2.368 179.918 177.584 -0.058 0.000 1.186 400 A CA 2.457 54.442 52.037 -0.086 0.000 0.620 400 A CB -0.776 18.167 19.000 -0.096 0.000 0.822 400 A HN 0.507 nan 8.150 nan 0.000 0.443 401 T N -5.600 108.917 114.554 -0.062 0.000 3.001 401 T HA 0.435 4.783 4.350 -0.002 0.000 0.251 401 T C 1.466 176.163 174.700 -0.005 0.000 1.040 401 T CA 1.048 63.133 62.100 -0.026 0.000 0.985 401 T CB 0.455 69.313 68.868 -0.017 0.000 1.011 401 T HN 1.731 nan 8.240 nan 0.000 0.509 402 G N 1.667 110.462 108.800 -0.008 0.000 2.179 402 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.260 402 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.260 402 G C -0.095 174.837 174.900 0.054 0.000 0.977 402 G CA 0.283 45.400 45.100 0.028 0.000 0.641 402 G HN 0.877 nan 8.290 nan 0.000 0.533 403 E N 0.623 120.854 120.200 0.053 0.000 2.452 403 E HA 0.329 4.677 4.350 -0.002 0.000 0.261 403 E C 0.223 176.904 176.600 0.136 0.000 0.987 403 E CA 0.264 56.719 56.400 0.091 0.000 0.926 403 E CB 0.221 29.987 29.700 0.109 0.000 0.934 403 E HN 0.502 nan 8.360 nan 0.000 0.452 404 Q N 2.950 122.826 119.800 0.127 0.000 2.365 404 Q HA 0.524 4.862 4.340 -0.002 0.000 0.269 404 Q C -1.812 174.246 176.000 0.096 0.000 1.061 404 Q CA -0.909 54.975 55.803 0.135 0.000 0.816 404 Q CB 1.999 30.804 28.738 0.112 0.000 1.325 404 Q HN 0.407 nan 8.270 nan 0.000 0.446 405 V N 2.919 122.870 119.914 0.061 0.000 2.760 405 V HA 0.537 4.656 4.120 -0.002 0.000 0.309 405 V C -1.076 174.975 176.094 -0.072 0.000 1.077 405 V CA -0.845 61.426 62.300 -0.048 0.000 0.910 405 V CB 2.044 33.728 31.823 -0.231 0.000 1.008 405 V HN 0.755 nan 8.190 nan 0.000 0.424 406 R N 5.145 125.605 120.500 -0.066 0.000 2.310 406 R HA 0.840 5.178 4.340 -0.002 0.000 0.324 406 R C -1.190 175.060 176.300 -0.084 0.000 0.955 406 R CA -0.287 55.782 56.100 -0.051 0.000 0.830 406 R CB 0.895 31.183 30.300 -0.020 0.000 1.154 406 R HN 0.794 nan 8.270 nan 0.000 0.458 407 L N 0.790 121.952 121.223 -0.103 0.000 2.403 407 L HA 0.732 5.071 4.340 -0.002 0.000 0.253 407 L C -0.639 176.190 176.870 -0.068 0.000 1.045 407 L CA -1.249 53.531 54.840 -0.101 0.000 0.845 407 L CB 2.027 43.985 42.059 -0.168 0.000 1.447 407 L HN 0.673 nan 8.230 nan 0.000 0.411 408 S N -0.246 115.424 115.700 -0.050 0.000 2.585 408 S HA 0.316 4.784 4.470 -0.002 0.000 0.273 408 S C 0.897 175.474 174.600 -0.037 0.000 1.339 408 S CA -0.470 57.709 58.200 -0.035 0.000 1.028 408 S CB 1.323 64.508 63.200 -0.025 0.000 0.906 408 S HN 0.820 nan 8.310 nan 0.000 0.528 409 R N 1.211 121.693 120.500 -0.030 0.000 2.133 409 R HA -0.199 4.140 4.340 -0.002 0.000 0.247 409 R C 1.991 178.274 176.300 -0.028 0.000 1.151 409 R CA 2.290 58.373 56.100 -0.029 0.000 0.971 409 R CB -0.497 29.789 30.300 -0.024 0.000 0.866 409 R HN 0.788 nan 8.270 nan 0.000 0.447 410 E N 0.339 120.525 120.200 -0.023 0.000 2.077 410 E HA -0.175 4.174 4.350 -0.002 0.000 0.193 410 E C 1.723 178.316 176.600 -0.012 0.000 0.989 410 E CA 1.308 57.697 56.400 -0.018 0.000 0.800 410 E CB -0.045 29.646 29.700 -0.015 0.000 0.746 410 E HN 0.443 nan 8.360 nan 0.000 0.452 411 E N 0.442 120.634 120.200 -0.013 0.000 2.208 411 E HA -0.105 4.243 4.350 -0.002 0.000 0.193 411 E C 2.044 178.651 176.600 0.012 0.000 0.988 411 E CA 0.748 57.150 56.400 0.003 0.000 0.828 411 E CB 0.000 29.698 29.700 -0.004 0.000 0.763 411 E HN 0.046 nan 8.360 nan 0.000 0.478 412 V N 1.699 121.600 119.914 -0.022 0.000 2.250 412 V HA -0.272 3.846 4.120 -0.002 0.000 0.253 412 V C -0.694 175.399 176.094 -0.002 0.000 1.065 412 V CA 2.352 64.634 62.300 -0.029 0.000 1.039 412 V CB -1.600 30.192 31.823 -0.051 0.000 0.647 412 V HN 0.229 nan 8.190 nan 0.000 0.446 413 P HA -0.122 nan 4.420 nan 0.000 0.215 413 P C 1.739 179.040 177.300 0.001 0.000 1.157 413 P CA 1.984 65.079 63.100 -0.007 0.000 0.868 413 P CB -0.383 31.312 31.700 -0.007 0.000 0.788 414 G N -1.376 107.435 108.800 0.017 0.000 2.421 414 G HA2 -0.307 3.651 3.960 -0.002 0.000 0.216 414 G HA3 -0.307 3.651 3.960 -0.002 0.000 0.216 414 G C 1.601 176.518 174.900 0.028 0.000 1.171 414 G CA 0.685 45.797 45.100 0.020 0.000 0.775 414 G HN 0.223 nan 8.290 nan 0.000 0.543 415 Y N 1.160 121.414 120.300 -0.076 0.000 2.128 415 Y HA -0.107 4.443 4.550 -0.000 0.000 0.284 415 Y C 2.606 178.414 175.900 -0.154 0.000 1.154 415 Y CA 1.612 59.654 58.100 -0.096 0.000 1.149 415 Y CB -0.242 38.151 38.460 -0.110 0.000 0.976 415 Y HN 0.114 nan 8.280 nan 0.000 0.505 416 L N -0.612 120.576 121.223 -0.058 0.000 2.046 416 L HA -0.249 4.089 4.340 -0.002 0.000 0.208 416 L C 2.502 179.288 176.870 -0.139 0.000 1.077 416 L CA 1.259 55.959 54.840 -0.233 0.000 0.747 416 L CB -0.660 41.282 42.059 -0.195 0.000 0.896 416 L HN 0.304 nan 8.230 nan 0.000 0.432 417 L N -0.278 120.899 121.223 -0.077 0.000 2.046 417 L HA -0.245 4.094 4.340 -0.002 0.000 0.208 417 L C 2.761 179.598 176.870 -0.055 0.000 1.077 417 L CA 1.444 56.257 54.840 -0.044 0.000 0.747 417 L CB -0.401 41.644 42.059 -0.024 0.000 0.896 417 L HN 0.419 nan 8.230 nan 0.000 0.432 418 Q N -0.257 119.489 119.800 -0.089 0.000 2.230 418 Q HA -0.064 4.275 4.340 -0.002 0.000 0.202 418 Q C 1.850 177.781 176.000 -0.115 0.000 0.963 418 Q CA 1.478 57.226 55.803 -0.091 0.000 0.866 418 Q CB -0.454 28.228 28.738 -0.094 0.000 0.931 418 Q HN 0.318 nan 8.270 nan 0.000 0.452 419 A N 0.005 122.717 122.820 -0.179 0.000 2.169 419 A HA 0.256 4.575 4.320 -0.002 0.000 0.212 419 A C 1.628 179.232 177.584 0.034 0.000 1.153 419 A CA 0.595 52.560 52.037 -0.119 0.000 0.756 419 A CB -0.020 18.848 19.000 -0.221 0.000 0.813 419 A HN 0.385 nan 8.150 nan 0.000 0.471 420 L N -2.262 118.978 121.223 0.029 0.000 2.993 420 L HA 0.288 4.627 4.340 -0.002 0.000 0.264 420 L C 1.369 178.258 176.870 0.031 0.000 1.154 420 L CA 0.056 54.935 54.840 0.065 0.000 0.972 420 L CB 0.415 42.541 42.059 0.111 0.000 1.373 420 L HN 0.344 nan 8.230 nan 0.000 0.564 421 G N 0.000 108.805 108.800 0.008 0.000 5.446 421 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 421 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 421 G CA 0.000 45.103 45.100 0.006 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925