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 1f3w_1_G DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKGPDF LVTEVENGGF LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKAADVH EVRKILGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE IIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR KLFEELARAS SHSTDLMEAM DATA SEQUENCE AMGSVEASYK CLAAALIVLT ESGRSAHQVA RYRPRAPIIA VTRNHQTARQ DATA SEQUENCE AHLYRGIFPV VCKDPVQEAW AEDVDLRVNL AMNVGKARGF FKKGDVVIVL DATA SEQUENCE TGWRPGSGFT NTMRVVPVP 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 12 I HA 0.000 nan 4.170 nan 0.000 0.288 12 I C 0.000 176.106 176.117 -0.018 0.000 1.063 12 I CA 0.000 61.277 61.300 -0.038 0.000 1.566 12 I CB 0.000 37.983 38.000 -0.029 0.000 1.214 13 Q N 2.550 122.343 119.800 -0.012 0.000 3.055 13 Q HA 0.284 4.624 4.340 0.000 0.000 0.190 13 Q C 0.423 176.432 176.000 0.015 0.000 1.173 13 Q CA 0.255 56.063 55.803 0.009 0.000 1.266 13 Q CB 0.389 29.145 28.738 0.030 0.000 1.338 13 Q HN 0.710 nan 8.270 nan 0.000 0.707 14 T N -3.808 110.760 114.554 0.022 0.000 2.888 14 T HA 0.265 4.615 4.350 0.000 0.000 0.288 14 T C -0.398 174.318 174.700 0.028 0.000 1.063 14 T CA -0.980 61.133 62.100 0.022 0.000 1.010 14 T CB 1.483 70.363 68.868 0.020 0.000 1.214 14 T HN 0.632 nan 8.240 nan 0.000 0.533 15 Q N -0.101 119.715 119.800 0.027 0.000 2.461 15 Q HA -0.270 4.071 4.340 0.000 0.000 0.264 15 Q C -0.086 175.944 176.000 0.050 0.000 1.085 15 Q CA 0.746 56.570 55.803 0.035 0.000 1.006 15 Q CB -1.434 27.318 28.738 0.024 0.000 1.437 15 Q HN 0.809 nan 8.270 nan 0.000 0.514 16 Q N -1.585 118.239 119.800 0.039 0.000 2.461 16 Q HA -0.226 4.114 4.340 0.000 0.000 0.273 16 Q C 0.639 176.670 176.000 0.052 0.000 1.163 16 Q CA 1.243 57.065 55.803 0.032 0.000 0.929 16 Q CB -1.350 27.403 28.738 0.025 0.000 1.334 16 Q HN 0.712 nan 8.270 nan 0.000 0.499 17 L N -1.771 119.488 121.223 0.060 0.000 2.131 17 L HA -0.211 4.129 4.340 0.000 0.000 0.210 17 L C 2.088 179.000 176.870 0.069 0.000 1.092 17 L CA 1.641 56.518 54.840 0.061 0.000 0.759 17 L CB -0.364 41.724 42.059 0.049 0.000 0.903 17 L HN 0.492 nan 8.230 nan 0.000 0.435 18 H N 0.371 119.436 119.070 -0.008 0.000 2.387 18 H HA -0.146 4.410 4.556 0.000 0.000 0.299 18 H C 2.083 177.396 175.328 -0.025 0.000 1.090 18 H CA 1.548 57.586 56.048 -0.017 0.000 1.332 18 H CB 0.125 29.869 29.762 -0.031 0.000 1.386 18 H HN 0.271 nan 8.280 nan 0.000 0.516 19 A N 0.534 123.253 122.820 -0.169 0.000 2.014 19 A HA 0.105 4.425 4.320 0.000 0.000 0.218 19 A C 2.582 180.157 177.584 -0.016 0.000 1.163 19 A CA 1.159 53.034 52.037 -0.270 0.000 0.652 19 A CB -1.069 17.662 19.000 -0.449 0.000 0.808 19 A HN 0.595 nan 8.150 nan 0.000 0.449 20 A N -0.516 122.354 122.820 0.083 0.000 1.978 20 A HA -0.127 4.193 4.320 0.000 0.000 0.220 20 A C 1.964 179.620 177.584 0.120 0.000 1.170 20 A CA 1.795 53.943 52.037 0.184 0.000 0.636 20 A CB -0.456 18.612 19.000 0.113 0.000 0.810 20 A HN 0.424 nan 8.150 nan 0.000 0.448 21 M N -0.072 119.531 119.600 0.004 0.000 2.686 21 M HA 0.150 4.630 4.480 0.000 0.000 0.246 21 M C 1.179 177.464 176.300 -0.026 0.000 1.096 21 M CA 0.191 55.478 55.300 -0.021 0.000 1.076 21 M CB -1.750 30.815 32.600 -0.058 0.000 1.504 21 M HN 0.398 nan 8.290 nan 0.000 0.524 22 A N 1.195 123.992 122.820 -0.037 0.000 2.520 22 A HA 0.029 4.349 4.320 0.000 0.000 0.235 22 A C 0.955 178.598 177.584 0.098 0.000 1.065 22 A CA 0.090 52.091 52.037 -0.060 0.000 0.764 22 A CB 0.310 19.177 19.000 -0.222 0.000 1.002 22 A HN 0.310 nan 8.150 nan 0.000 0.502 23 D N -0.186 120.247 120.400 0.056 0.000 2.197 23 D HA 0.021 4.661 4.640 0.000 0.000 0.212 23 D C 1.209 177.595 176.300 0.144 0.000 0.963 23 D CA 2.007 56.059 54.000 0.088 0.000 0.864 23 D CB -0.053 40.774 40.800 0.045 0.000 1.009 23 D HN 0.769 nan 8.370 nan 0.000 0.479 24 T N -2.620 111.995 114.554 0.101 0.000 2.937 24 T HA 0.338 4.688 4.350 0.000 0.000 0.283 24 T C 1.004 175.719 174.700 0.024 0.000 1.012 24 T CA -0.726 61.462 62.100 0.147 0.000 0.997 24 T CB 0.710 69.665 68.868 0.145 0.000 1.136 24 T HN -0.227 nan 8.240 nan 0.000 0.551 25 F N -0.303 119.736 119.950 0.149 0.000 2.098 25 F HA 0.163 4.691 4.527 0.000 0.000 0.294 25 F C 2.427 178.201 175.800 -0.044 0.000 1.107 25 F CA 0.657 58.673 58.000 0.027 0.000 1.234 25 F CB -0.569 38.503 39.000 0.121 0.000 1.002 25 F HN 0.420 nan 8.300 nan 0.000 0.472 26 L N 0.087 121.430 121.223 0.200 0.000 2.051 26 L HA -0.310 4.030 4.340 0.000 0.000 0.214 26 L C 2.372 179.246 176.870 0.006 0.000 1.076 26 L CA 1.777 56.668 54.840 0.086 0.000 0.758 26 L CB -0.330 41.774 42.059 0.076 0.000 0.890 26 L HN 0.271 nan 8.230 nan 0.000 0.433 27 E N -1.193 118.994 120.200 -0.022 0.000 2.015 27 E HA -0.320 4.030 4.350 0.000 0.000 0.191 27 E C 2.041 178.539 176.600 -0.170 0.000 0.991 27 E CA 1.438 57.790 56.400 -0.080 0.000 0.802 27 E CB -0.124 29.533 29.700 -0.072 0.000 0.759 27 E HN 0.541 nan 8.360 nan 0.000 0.447 28 H N 0.331 119.147 119.070 -0.423 0.000 2.321 28 H HA -0.207 4.349 4.556 0.000 0.000 0.295 28 H C 2.109 177.239 175.328 -0.329 0.000 1.102 28 H CA 2.427 58.114 56.048 -0.601 0.000 1.266 28 H CB -0.182 28.794 29.762 -1.311 0.000 1.363 28 H HN 0.132 nan 8.280 nan 0.000 0.492 29 M N -0.846 118.628 119.600 -0.211 0.000 2.065 29 M HA -0.227 4.253 4.480 0.000 0.000 0.259 29 M C 2.348 178.558 176.300 -0.149 0.000 1.071 29 M CA 2.088 57.302 55.300 -0.144 0.000 1.109 29 M CB -0.383 32.209 32.600 -0.014 0.000 1.313 29 M HN 0.487 nan 8.290 nan 0.000 0.408 30 C N 0.012 119.249 119.300 -0.105 0.000 2.410 30 C HA -0.144 4.317 4.460 0.000 0.000 0.281 30 C C 2.393 177.337 174.990 -0.078 0.000 1.318 30 C CA 0.975 59.950 59.018 -0.073 0.000 1.776 30 C CB -1.486 26.228 27.740 -0.044 0.000 1.942 30 C HN 0.510 nan 8.230 nan 0.000 0.508 31 R N -0.176 120.243 120.500 -0.136 0.000 2.317 31 R HA 0.227 4.567 4.340 0.000 0.000 0.208 31 R C 0.241 176.484 176.300 -0.095 0.000 0.914 31 R CA -0.103 55.950 56.100 -0.080 0.000 1.060 31 R CB -0.090 30.119 30.300 -0.152 0.000 1.015 31 R HN 0.478 nan 8.270 nan 0.000 0.498 32 L N 1.726 122.845 121.223 -0.173 0.000 2.540 32 L HA -0.037 4.303 4.340 0.000 0.000 0.276 32 L C 0.033 176.863 176.870 -0.066 0.000 1.212 32 L CA 0.453 55.205 54.840 -0.146 0.000 0.893 32 L CB 0.142 42.112 42.059 -0.148 0.000 1.138 32 L HN 0.018 nan 8.230 nan 0.000 0.491 33 D N 3.481 123.856 120.400 -0.042 0.000 2.481 33 D HA 0.206 4.846 4.640 0.000 0.000 0.246 33 D C 0.820 177.109 176.300 -0.019 0.000 1.109 33 D CA -0.552 53.434 54.000 -0.022 0.000 0.845 33 D CB 1.502 42.297 40.800 -0.009 0.000 1.160 33 D HN 0.471 nan 8.370 nan 0.000 0.534 34 I N 0.071 120.630 120.570 -0.018 0.000 2.916 34 I HA -0.026 4.144 4.170 0.000 0.000 0.267 34 I C 0.310 176.422 176.117 -0.008 0.000 1.263 34 I CA 0.857 62.149 61.300 -0.013 0.000 1.471 34 I CB 0.202 38.195 38.000 -0.012 0.000 1.089 34 I HN 0.032 nan 8.210 nan 0.000 0.468 35 D N 1.162 121.556 120.400 -0.010 0.000 2.340 35 D HA 0.069 4.709 4.640 0.000 0.000 0.217 35 D C 0.668 176.965 176.300 -0.004 0.000 1.081 35 D CA 0.342 54.338 54.000 -0.007 0.000 0.842 35 D CB 0.494 41.287 40.800 -0.011 0.000 0.934 35 D HN 0.253 nan 8.370 nan 0.000 0.511 36 S N 0.945 116.644 115.700 -0.002 0.000 2.409 36 S HA 0.466 4.936 4.470 0.000 0.000 0.308 36 S C 0.156 174.762 174.600 0.009 0.000 1.080 36 S CA -0.702 57.501 58.200 0.005 0.000 1.081 36 S CB 0.146 63.351 63.200 0.009 0.000 1.009 36 S HN 0.183 nan 8.310 nan 0.000 0.502 37 A N 7.715 130.542 122.820 0.011 0.000 2.520 37 A HA 0.432 4.753 4.320 0.000 0.000 0.245 37 A C -1.940 175.655 177.584 0.018 0.000 1.072 37 A CA -0.897 51.149 52.037 0.015 0.000 0.761 37 A CB -0.167 18.843 19.000 0.017 0.000 1.004 37 A HN 0.707 nan 8.150 nan 0.000 0.499 38 P HA 0.387 nan 4.420 nan 0.000 0.276 38 P C 0.064 177.376 177.300 0.019 0.000 1.261 38 P CA -0.407 62.703 63.100 0.017 0.000 0.800 38 P CB 0.641 32.347 31.700 0.009 0.000 1.066 39 I N -2.364 118.214 120.570 0.013 0.000 3.322 39 I HA 0.203 4.373 4.170 0.000 0.000 0.296 39 I C 1.214 177.346 176.117 0.024 0.000 1.101 39 I CA -0.416 60.893 61.300 0.015 0.000 1.166 39 I CB -0.511 37.483 38.000 -0.010 0.000 1.475 39 I HN 0.147 nan 8.210 nan 0.000 0.665 40 T N 1.694 116.282 114.554 0.057 0.000 2.857 40 T HA 0.098 4.448 4.350 0.000 0.000 0.266 40 T C 1.004 175.774 174.700 0.118 0.000 1.048 40 T CA 0.986 63.165 62.100 0.131 0.000 1.139 40 T CB -0.261 68.746 68.868 0.232 0.000 0.874 40 T HN 0.739 nan 8.240 nan 0.000 0.455 41 A N 2.267 125.011 122.820 -0.128 0.000 2.488 41 A HA 0.392 4.712 4.320 0.000 0.000 0.249 41 A C 0.559 178.095 177.584 -0.079 0.000 1.083 41 A CA -0.168 51.675 52.037 -0.322 0.000 0.768 41 A CB 0.120 18.559 19.000 -0.936 0.000 1.017 41 A HN 0.246 nan 8.150 nan 0.000 0.496 42 R N 3.040 123.576 120.500 0.059 0.000 2.275 42 R HA 0.193 4.534 4.340 0.000 0.000 0.326 42 R C -0.231 176.125 176.300 0.093 0.000 0.973 42 R CA -0.222 55.895 56.100 0.028 0.000 0.854 42 R CB 0.217 30.502 30.300 -0.024 0.000 1.156 42 R HN 0.961 nan 8.270 nan 0.000 0.487 43 N N 0.875 119.613 118.700 0.063 0.000 2.331 43 N HA -0.053 4.688 4.740 0.000 0.000 0.180 43 N C -0.288 175.284 175.510 0.103 0.000 1.019 43 N CA 0.713 53.820 53.050 0.095 0.000 0.881 43 N CB 0.271 38.812 38.487 0.089 0.000 0.972 43 N HN 0.433 nan 8.380 nan 0.000 0.435 44 T N 0.820 115.422 114.554 0.079 0.000 2.814 44 T HA 0.233 4.583 4.350 0.000 0.000 0.297 44 T C 0.679 175.431 174.700 0.086 0.000 0.956 44 T CA -0.566 61.576 62.100 0.071 0.000 1.123 44 T CB 1.280 70.175 68.868 0.045 0.000 0.902 44 T HN 0.119 nan 8.240 nan 0.000 0.528 45 G N 2.659 111.512 108.800 0.088 0.000 2.441 45 G HA2 0.472 4.433 3.960 0.000 0.000 0.243 45 G HA3 0.472 4.433 3.960 0.000 0.000 0.243 45 G C -0.339 174.597 174.900 0.060 0.000 1.281 45 G CA -0.567 44.592 45.100 0.097 0.000 0.854 45 G HN 0.776 nan 8.290 nan 0.000 0.560 46 I N 2.321 122.918 120.570 0.045 0.000 2.355 46 I HA 0.267 4.437 4.170 0.000 0.000 0.288 46 I C -0.228 175.901 176.117 0.019 0.000 0.999 46 I CA -0.448 60.874 61.300 0.037 0.000 1.163 46 I CB 1.631 39.662 38.000 0.051 0.000 1.316 46 I HN 0.217 nan 8.210 nan 0.000 0.454 47 I N 5.834 126.429 120.570 0.042 0.000 2.315 47 I HA 0.287 4.458 4.170 0.000 0.000 0.291 47 I C -0.440 175.719 176.117 0.070 0.000 1.006 47 I CA -0.320 61.022 61.300 0.069 0.000 1.265 47 I CB 1.119 39.197 38.000 0.129 0.000 1.387 47 I HN 0.527 nan 8.210 nan 0.000 0.475 48 C N 4.271 123.605 119.300 0.057 0.000 2.322 48 C HA 0.384 4.844 4.460 0.000 0.000 0.324 48 C C 0.738 175.771 174.990 0.071 0.000 1.284 48 C CA -0.557 58.496 59.018 0.059 0.000 1.606 48 C CB 0.897 28.662 27.740 0.041 0.000 2.251 48 C HN 0.659 nan 8.230 nan 0.000 0.502 49 T N 5.316 119.920 114.554 0.082 0.000 2.794 49 T HA 0.299 4.649 4.350 0.000 0.000 0.296 49 T C 0.381 175.133 174.700 0.085 0.000 0.949 49 T CA 0.002 62.157 62.100 0.093 0.000 1.101 49 T CB 0.001 68.930 68.868 0.102 0.000 0.905 49 T HN 0.357 nan 8.240 nan 0.000 0.516 50 I N 2.916 123.542 120.570 0.094 0.000 2.499 50 I HA 0.678 4.848 4.170 0.000 0.000 0.296 50 I C 0.998 177.194 176.117 0.131 0.000 0.992 50 I CA -0.098 61.258 61.300 0.093 0.000 1.297 50 I CB 0.914 38.962 38.000 0.079 0.000 1.410 50 I HN 0.814 nan 8.210 nan 0.000 0.507 51 G N 5.239 114.109 108.800 0.118 0.000 2.570 51 G HA2 0.376 4.336 3.960 0.000 0.000 0.310 51 G HA3 0.376 4.336 3.960 0.000 0.000 0.310 51 G C -2.706 172.270 174.900 0.127 0.000 1.266 51 G CA -0.314 44.881 45.100 0.158 0.000 0.825 51 G HN 0.265 nan 8.290 nan 0.000 0.483 52 P HA -0.150 nan 4.420 nan 0.000 0.216 52 P C 2.143 179.468 177.300 0.042 0.000 1.167 52 P CA 2.993 66.142 63.100 0.083 0.000 0.914 52 P CB 0.044 31.772 31.700 0.045 0.000 0.793 53 A N -1.012 121.824 122.820 0.027 0.000 2.178 53 A HA -0.111 4.209 4.320 0.000 0.000 0.218 53 A C 1.803 179.396 177.584 0.015 0.000 1.157 53 A CA 2.049 54.091 52.037 0.009 0.000 0.689 53 A CB -1.012 17.988 19.000 -0.000 0.000 0.787 53 A HN 0.376 nan 8.150 nan 0.000 0.465 54 S N -3.112 112.605 115.700 0.029 0.000 2.787 54 S HA 0.228 4.698 4.470 0.000 0.000 0.255 54 S C 1.430 176.042 174.600 0.020 0.000 1.051 54 S CA -0.394 57.822 58.200 0.027 0.000 1.124 54 S CB -0.033 63.189 63.200 0.036 0.000 1.104 54 S HN 0.335 nan 8.310 nan 0.000 0.623 55 R N 2.882 123.392 120.500 0.017 0.000 2.103 55 R HA 0.017 4.357 4.340 0.000 0.000 0.242 55 R C 1.234 177.519 176.300 -0.025 0.000 1.142 55 R CA 1.269 57.359 56.100 -0.017 0.000 0.960 55 R CB -1.165 29.118 30.300 -0.029 0.000 0.858 55 R HN 0.576 nan 8.270 nan 0.000 0.439 56 S N 0.428 116.120 115.700 -0.013 0.000 2.593 56 S HA -0.041 4.429 4.470 0.000 0.000 0.300 56 S C 1.703 176.296 174.600 -0.011 0.000 1.267 56 S CA -0.279 57.913 58.200 -0.014 0.000 1.065 56 S CB 0.826 64.022 63.200 -0.007 0.000 0.807 56 S HN 0.041 nan 8.310 nan 0.000 0.499 57 V N 5.149 125.052 119.914 -0.019 0.000 2.407 57 V HA -0.088 4.032 4.120 0.000 0.000 0.248 57 V C 2.530 178.615 176.094 -0.016 0.000 1.055 57 V CA 1.991 64.279 62.300 -0.021 0.000 1.049 57 V CB -0.713 31.089 31.823 -0.034 0.000 0.662 57 V HN 0.817 nan 8.190 nan 0.000 0.455 58 E N -0.032 120.160 120.200 -0.014 0.000 2.072 58 E HA -0.154 4.196 4.350 0.000 0.000 0.191 58 E C 2.338 178.947 176.600 0.015 0.000 0.985 58 E CA 1.791 58.188 56.400 -0.005 0.000 0.801 58 E CB -0.702 28.995 29.700 -0.005 0.000 0.750 58 E HN 0.594 nan 8.360 nan 0.000 0.452 59 T N 2.080 116.641 114.554 0.013 0.000 2.684 59 T HA -0.145 4.205 4.350 0.000 0.000 0.267 59 T C 1.877 176.598 174.700 0.035 0.000 1.036 59 T CA 0.784 62.897 62.100 0.022 0.000 1.148 59 T CB -0.255 68.622 68.868 0.015 0.000 0.863 59 T HN -0.011 nan 8.240 nan 0.000 0.436 60 L N 1.257 122.498 121.223 0.031 0.000 2.043 60 L HA -0.074 4.267 4.340 0.000 0.000 0.212 60 L C 2.318 179.238 176.870 0.084 0.000 1.075 60 L CA 1.687 56.553 54.840 0.044 0.000 0.752 60 L CB -0.769 41.309 42.059 0.030 0.000 0.891 60 L HN 0.242 nan 8.230 nan 0.000 0.432 61 K N -1.029 119.426 120.400 0.091 0.000 2.103 61 K HA -0.215 4.106 4.320 0.000 0.000 0.207 61 K C 2.009 178.741 176.600 0.220 0.000 1.048 61 K CA 1.280 57.684 56.287 0.196 0.000 0.930 61 K CB -0.067 32.484 32.500 0.085 0.000 0.716 61 K HN 0.113 nan 8.250 nan 0.000 0.444 62 E N 0.481 120.753 120.200 0.119 0.000 2.204 62 E HA -0.061 4.289 4.350 0.000 0.000 0.194 62 E C 1.828 178.460 176.600 0.054 0.000 0.989 62 E CA 1.014 57.464 56.400 0.084 0.000 0.824 62 E CB 0.089 29.823 29.700 0.057 0.000 0.756 62 E HN 0.199 nan 8.360 nan 0.000 0.477 63 M N -0.467 119.165 119.600 0.053 0.000 2.099 63 M HA -0.092 4.389 4.480 0.000 0.000 0.262 63 M C 2.285 178.589 176.300 0.006 0.000 1.067 63 M CA 1.154 56.471 55.300 0.029 0.000 1.124 63 M CB -0.619 32.000 32.600 0.032 0.000 1.353 63 M HN 0.145 nan 8.290 nan 0.000 0.410 64 I N 0.520 121.107 120.570 0.029 0.000 2.151 64 I HA -0.336 3.835 4.170 0.000 0.000 0.243 64 I C 2.313 178.366 176.117 -0.107 0.000 1.080 64 I CA 1.604 62.887 61.300 -0.027 0.000 1.339 64 I CB -0.479 37.556 38.000 0.058 0.000 1.039 64 I HN 0.323 nan 8.210 nan 0.000 0.409 65 K N 0.231 120.578 120.400 -0.088 0.000 2.209 65 K HA -0.089 4.231 4.320 0.000 0.000 0.204 65 K C 2.046 178.579 176.600 -0.112 0.000 1.048 65 K CA 1.219 57.429 56.287 -0.129 0.000 0.940 65 K CB -0.084 32.382 32.500 -0.057 0.000 0.729 65 K HN 0.139 nan 8.250 nan 0.000 0.451 66 S N -1.060 114.592 115.700 -0.080 0.000 2.527 66 S HA 0.076 4.546 4.470 0.000 0.000 0.222 66 S C 1.160 175.675 174.600 -0.142 0.000 0.985 66 S CA 0.764 58.904 58.200 -0.100 0.000 0.921 66 S CB 0.685 63.862 63.200 -0.037 0.000 0.772 66 S HN 0.619 nan 8.310 nan 0.000 0.529 67 G N 0.389 109.123 108.800 -0.109 0.000 2.425 67 G HA2 -0.145 3.816 3.960 0.000 0.000 0.177 67 G HA3 -0.145 3.816 3.960 0.000 0.000 0.177 67 G C 0.136 175.011 174.900 -0.042 0.000 0.999 67 G CA -0.498 44.562 45.100 -0.066 0.000 0.723 67 G HN 0.300 nan 8.290 nan 0.000 0.491 68 M N 0.983 120.551 119.600 -0.053 0.000 2.248 68 M HA 0.134 4.614 4.480 0.000 0.000 0.343 68 M C 1.094 177.301 176.300 -0.156 0.000 1.243 68 M CA 1.231 56.491 55.300 -0.066 0.000 1.025 68 M CB 0.156 32.730 32.600 -0.042 0.000 1.759 68 M HN 0.372 nan 8.290 nan 0.000 0.452 69 N N 1.478 120.052 118.700 -0.210 0.000 2.360 69 N HA 0.189 4.929 4.740 0.000 0.000 0.211 69 N C -1.151 174.096 175.510 -0.438 0.000 1.147 69 N CA -0.243 52.498 53.050 -0.516 0.000 0.866 69 N CB 1.175 39.360 38.487 -0.502 0.000 1.206 69 N HN 0.337 nan 8.380 nan 0.000 0.478 70 V N 0.923 120.735 119.914 -0.172 0.000 2.733 70 V HA 0.689 4.809 4.120 0.000 0.000 0.306 70 V C -1.205 174.879 176.094 -0.016 0.000 1.084 70 V CA -1.096 61.165 62.300 -0.064 0.000 0.905 70 V CB 1.721 33.567 31.823 0.038 0.000 1.010 70 V HN 0.116 nan 8.190 nan 0.000 0.424 71 A N 4.692 127.501 122.820 -0.019 0.000 2.249 71 A HA 0.734 5.054 4.320 0.000 0.000 0.314 71 A C -0.035 177.544 177.584 -0.009 0.000 1.290 71 A CA -0.492 51.547 52.037 0.003 0.000 0.893 71 A CB 0.348 19.351 19.000 0.006 0.000 1.165 71 A HN 0.859 nan 8.150 nan 0.000 0.530 72 R N 3.649 124.164 120.500 0.024 0.000 2.221 72 R HA 0.463 4.804 4.340 0.000 0.000 0.327 72 R C -0.832 175.495 176.300 0.045 0.000 1.033 72 R CA -0.462 55.638 56.100 0.000 0.000 0.887 72 R CB 0.433 30.798 30.300 0.108 0.000 1.057 72 R HN 0.607 nan 8.270 nan 0.000 0.455 73 M N 3.963 123.581 119.600 0.029 0.000 2.061 73 M HA 0.173 4.653 4.480 0.000 0.000 0.346 73 M C -0.481 175.899 176.300 0.133 0.000 1.112 73 M CA -0.949 54.413 55.300 0.103 0.000 1.021 73 M CB 0.666 33.380 32.600 0.190 0.000 1.530 73 M HN 0.458 nan 8.290 nan 0.000 0.437 74 N N 2.924 121.706 118.700 0.136 0.000 2.469 74 N HA 0.201 4.941 4.740 0.000 0.000 0.239 74 N C -0.404 175.218 175.510 0.188 0.000 1.053 74 N CA -0.221 52.949 53.050 0.199 0.000 0.937 74 N CB 0.134 38.749 38.487 0.214 0.000 1.163 74 N HN 0.331 nan 8.380 nan 0.000 0.509 75 F N 1.326 121.239 119.950 -0.062 0.000 2.802 75 F HA 0.086 4.613 4.527 0.000 0.000 0.302 75 F C 2.170 178.029 175.800 0.099 0.000 1.211 75 F CA 0.113 58.121 58.000 0.013 0.000 1.431 75 F CB -0.373 38.607 39.000 -0.034 0.000 1.114 75 F HN 0.467 nan 8.300 nan 0.000 0.567 76 S N -1.542 114.289 115.700 0.220 0.000 2.481 76 S HA -0.032 4.438 4.470 0.000 0.000 0.231 76 S C 0.264 174.688 174.600 -0.294 0.000 0.996 76 S CA 0.675 58.889 58.200 0.023 0.000 0.942 76 S CB -0.256 62.989 63.200 0.076 0.000 0.768 76 S HN 0.409 nan 8.310 nan 0.000 0.520 77 H N -1.830 117.309 119.070 0.113 0.000 2.943 77 H HA 0.602 5.159 4.556 0.000 0.000 0.323 77 H C 0.275 175.597 175.328 -0.009 0.000 1.296 77 H CA -0.223 55.843 56.048 0.031 0.000 1.155 77 H CB 0.855 30.608 29.762 -0.016 0.000 1.882 77 H HN 0.210 nan 8.280 nan 0.000 0.553 78 G N 0.009 108.772 108.800 -0.061 0.000 2.814 78 G HA2 0.026 3.986 3.960 0.000 0.000 0.677 78 G HA3 0.026 3.986 3.960 0.000 0.000 0.677 78 G C -0.085 174.673 174.900 -0.236 0.000 1.429 78 G CA -0.321 44.559 45.100 -0.366 0.000 0.868 78 G HN 0.997 nan 8.290 nan 0.000 0.553 79 T N -3.022 111.377 114.554 -0.258 0.000 2.952 79 T HA 0.647 4.997 4.350 0.000 0.000 0.286 79 T C 1.239 175.888 174.700 -0.085 0.000 1.024 79 T CA 0.354 62.383 62.100 -0.117 0.000 1.029 79 T CB 1.633 70.454 68.868 -0.079 0.000 1.094 79 T HN 0.707 nan 8.240 nan 0.000 0.515 80 H N -0.263 118.661 119.070 -0.243 0.000 2.387 80 H HA -0.112 4.445 4.556 0.000 0.000 0.299 80 H C 2.146 177.367 175.328 -0.178 0.000 1.099 80 H CA 1.608 57.380 56.048 -0.461 0.000 1.315 80 H CB 0.311 29.671 29.762 -0.671 0.000 1.380 80 H HN 0.811 nan 8.280 nan 0.000 0.513 81 E N 0.547 120.777 120.200 0.051 0.000 2.085 81 E HA -0.227 4.123 4.350 0.000 0.000 0.194 81 E C 1.899 178.527 176.600 0.046 0.000 0.994 81 E CA 0.983 57.426 56.400 0.071 0.000 0.801 81 E CB -0.099 29.629 29.700 0.047 0.000 0.743 81 E HN 0.445 nan 8.360 nan 0.000 0.453 82 Y N 1.312 121.520 120.300 -0.154 0.000 2.070 82 Y HA -0.287 4.263 4.550 0.000 0.000 0.279 82 Y C 2.475 178.259 175.900 -0.192 0.000 1.134 82 Y CA 2.368 60.326 58.100 -0.237 0.000 1.113 82 Y CB -0.534 37.661 38.460 -0.443 0.000 0.981 82 Y HN 0.211 nan 8.280 nan 0.000 0.487 83 H N -0.412 118.687 119.070 0.049 0.000 2.387 83 H HA -0.135 4.421 4.556 0.000 0.000 0.299 83 H C 2.330 177.741 175.328 0.138 0.000 1.099 83 H CA 1.206 57.269 56.048 0.025 0.000 1.315 83 H CB -1.018 28.689 29.762 -0.092 0.000 1.380 83 H HN 0.517 nan 8.280 nan 0.000 0.513 84 A N 1.011 124.047 122.820 0.361 0.000 1.917 84 A HA -0.247 4.073 4.320 0.000 0.000 0.219 84 A C 2.400 180.050 177.584 0.110 0.000 1.182 84 A CA 2.029 54.268 52.037 0.337 0.000 0.633 84 A CB -0.459 18.758 19.000 0.361 0.000 0.819 84 A HN 0.555 nan 8.150 nan 0.000 0.448 85 E N -1.050 119.151 120.200 0.002 0.000 2.158 85 E HA -0.103 4.247 4.350 0.000 0.000 0.191 85 E C 1.907 178.443 176.600 -0.105 0.000 0.982 85 E CA 1.281 57.638 56.400 -0.072 0.000 0.823 85 E CB -0.097 29.521 29.700 -0.137 0.000 0.766 85 E HN 0.570 nan 8.360 nan 0.000 0.468 86 T N 1.495 115.955 114.554 -0.157 0.000 2.652 86 T HA -0.161 4.190 4.350 0.000 0.000 0.267 86 T C 1.903 176.593 174.700 -0.017 0.000 1.039 86 T CA 1.532 63.561 62.100 -0.118 0.000 1.153 86 T CB -0.258 68.566 68.868 -0.074 0.000 0.863 86 T HN 0.186 nan 8.240 nan 0.000 0.428 87 I N 1.192 121.784 120.570 0.037 0.000 2.208 87 I HA -0.228 3.943 4.170 0.000 0.000 0.245 87 I C 2.642 178.765 176.117 0.011 0.000 1.097 87 I CA 1.432 62.754 61.300 0.037 0.000 1.363 87 I CB -0.393 37.639 38.000 0.053 0.000 1.051 87 I HN 0.254 nan 8.210 nan 0.000 0.413 88 K N 1.241 121.644 120.400 0.004 0.000 2.032 88 K HA -0.226 4.095 4.320 0.000 0.000 0.209 88 K C 1.927 178.520 176.600 -0.011 0.000 1.048 88 K CA 1.909 58.193 56.287 -0.005 0.000 0.927 88 K CB -0.076 32.419 32.500 -0.008 0.000 0.712 88 K HN 0.268 nan 8.250 nan 0.000 0.441 89 N N 0.923 119.609 118.700 -0.023 0.000 2.084 89 N HA -0.156 4.584 4.740 0.000 0.000 0.190 89 N C 2.004 177.509 175.510 -0.007 0.000 1.030 89 N CA 1.826 54.862 53.050 -0.024 0.000 0.849 89 N CB -0.659 37.805 38.487 -0.039 0.000 1.012 89 N HN 0.323 nan 8.380 nan 0.000 0.423 90 V N -0.195 119.720 119.914 0.002 0.000 2.392 90 V HA -0.175 3.945 4.120 0.000 0.000 0.249 90 V C 2.240 178.352 176.094 0.030 0.000 1.059 90 V CA 1.484 63.795 62.300 0.018 0.000 1.051 90 V CB -0.669 31.166 31.823 0.020 0.000 0.658 90 V HN 0.111 nan 8.190 nan 0.000 0.455 91 R N 0.328 120.844 120.500 0.026 0.000 2.075 91 R HA -0.070 4.270 4.340 0.000 0.000 0.232 91 R C 2.560 178.882 176.300 0.035 0.000 1.126 91 R CA 1.993 58.117 56.100 0.040 0.000 0.963 91 R CB -0.845 29.471 30.300 0.025 0.000 0.858 91 R HN 0.619 nan 8.270 nan 0.000 0.435 92 T N 0.904 115.462 114.554 0.007 0.000 2.652 92 T HA -0.179 4.171 4.350 0.000 0.000 0.267 92 T C 1.952 176.632 174.700 -0.033 0.000 1.039 92 T CA 1.532 63.622 62.100 -0.015 0.000 1.153 92 T CB -0.345 68.506 68.868 -0.028 0.000 0.863 92 T HN 0.389 nan 8.240 nan 0.000 0.428 93 A N 1.282 124.088 122.820 -0.025 0.000 1.892 93 A HA -0.183 4.137 4.320 0.000 0.000 0.218 93 A C 2.567 180.144 177.584 -0.012 0.000 1.188 93 A CA 2.380 54.390 52.037 -0.045 0.000 0.631 93 A CB -1.427 17.581 19.000 0.014 0.000 0.822 93 A HN 0.487 nan 8.150 nan 0.000 0.447 94 T N 0.128 114.742 114.554 0.101 0.000 2.595 94 T HA -0.126 4.224 4.350 0.000 0.000 0.264 94 T C 1.714 176.605 174.700 0.319 0.000 1.058 94 T CA 1.554 63.794 62.100 0.234 0.000 1.166 94 T CB -0.345 68.638 68.868 0.192 0.000 0.863 94 T HN 0.493 nan 8.240 nan 0.000 0.415 95 E N 1.655 121.988 120.200 0.222 0.000 2.396 95 E HA -0.081 4.270 4.350 0.000 0.000 0.200 95 E C 2.415 179.044 176.600 0.048 0.000 1.023 95 E CA 0.859 57.365 56.400 0.178 0.000 0.857 95 E CB -0.604 29.137 29.700 0.070 0.000 0.775 95 E HN 0.677 nan 8.360 nan 0.000 0.525 96 S N -0.281 115.352 115.700 -0.111 0.000 2.469 96 S HA -0.106 4.364 4.470 0.000 0.000 0.238 96 S C 1.517 175.939 174.600 -0.297 0.000 0.998 96 S CA 0.581 58.608 58.200 -0.288 0.000 0.957 96 S CB -0.367 62.537 63.200 -0.494 0.000 0.764 96 S HN 0.156 nan 8.310 nan 0.000 0.514 97 F N 1.287 121.325 119.950 0.146 0.000 2.731 97 F HA 0.575 5.102 4.527 0.000 0.000 0.298 97 F C 2.385 178.325 175.800 0.233 0.000 1.106 97 F CA -0.489 57.615 58.000 0.174 0.000 1.329 97 F CB -0.638 38.470 39.000 0.180 0.000 1.100 97 F HN 0.240 nan 8.300 nan 0.000 0.592 98 A N -0.159 122.860 122.820 0.331 0.000 2.204 98 A HA -0.251 4.070 4.320 0.000 0.000 0.220 98 A C 2.395 179.959 177.584 -0.033 0.000 1.165 98 A CA 1.761 53.764 52.037 -0.056 0.000 0.671 98 A CB -0.983 17.906 19.000 -0.185 0.000 0.792 98 A HN 0.367 nan 8.150 nan 0.000 0.473 99 S N 0.121 115.860 115.700 0.064 0.000 2.462 99 S HA -0.193 4.277 4.470 0.000 0.000 0.219 99 S C 0.877 175.508 174.600 0.053 0.000 1.048 99 S CA 1.271 59.498 58.200 0.045 0.000 1.119 99 S CB -0.498 62.741 63.200 0.065 0.000 1.100 99 S HN 0.582 nan 8.310 nan 0.000 0.411 100 D N 2.268 122.727 120.400 0.098 0.000 2.346 100 D HA 0.198 4.838 4.640 0.000 0.000 0.260 100 D C -1.448 174.922 176.300 0.117 0.000 1.252 100 D CA -1.946 52.107 54.000 0.087 0.000 0.895 100 D CB 1.507 42.359 40.800 0.087 0.000 1.097 100 D HN 0.247 nan 8.370 nan 0.000 0.489 101 P HA -0.098 nan 4.420 nan 0.000 0.225 101 P C 1.583 178.959 177.300 0.126 0.000 1.148 101 P CA 0.630 63.792 63.100 0.103 0.000 0.779 101 P CB 0.437 32.164 31.700 0.046 0.000 0.780 102 I N -1.100 119.520 120.570 0.084 0.000 2.584 102 I HA -0.076 4.094 4.170 0.000 0.000 0.255 102 I C 1.909 178.057 176.117 0.052 0.000 1.145 102 I CA 0.707 62.036 61.300 0.049 0.000 1.462 102 I CB -0.161 37.842 38.000 0.005 0.000 1.102 102 I HN -0.115 nan 8.210 nan 0.000 0.433 103 L N -0.524 120.747 121.223 0.080 0.000 2.664 103 L HA 0.119 4.459 4.340 0.000 0.000 0.233 103 L C 0.472 177.388 176.870 0.077 0.000 1.113 103 L CA 0.215 55.083 54.840 0.046 0.000 0.896 103 L CB -0.942 41.131 42.059 0.023 0.000 1.163 103 L HN 0.162 nan 8.230 nan 0.000 0.497 104 Y N 2.452 122.783 120.300 0.052 0.000 2.544 104 Y HA 0.186 4.736 4.550 0.000 0.000 0.330 104 Y C 0.335 176.268 175.900 0.055 0.000 1.136 104 Y CA -0.014 58.138 58.100 0.087 0.000 1.417 104 Y CB 0.299 38.828 38.460 0.115 0.000 1.229 104 Y HN 0.000 nan 8.280 nan 0.000 0.532 105 R N 7.808 127.940 120.500 -0.613 0.000 2.393 105 R HA 0.380 4.721 4.340 0.000 0.000 0.315 105 R C -2.641 173.223 176.300 -0.727 0.000 0.952 105 R CA -1.942 53.844 56.100 -0.524 0.000 0.842 105 R CB 1.240 31.336 30.300 -0.340 0.000 1.163 105 R HN 0.507 nan 8.270 nan 0.000 0.450 106 P HA 0.055 nan 4.420 nan 0.000 0.269 106 P C -0.946 176.322 177.300 -0.054 0.000 1.209 106 P CA -0.245 62.731 63.100 -0.206 0.000 0.776 106 P CB 0.827 32.556 31.700 0.048 0.000 0.876 107 V N 2.189 122.085 119.914 -0.030 0.000 2.482 107 V HA 0.538 4.658 4.120 0.000 0.000 0.295 107 V C 0.217 176.309 176.094 -0.005 0.000 1.026 107 V CA -0.921 61.330 62.300 -0.082 0.000 0.856 107 V CB 1.400 33.181 31.823 -0.071 0.000 1.001 107 V HN 0.678 nan 8.190 nan 0.000 0.424 108 A N 4.595 127.409 122.820 -0.010 0.000 2.386 108 A HA 0.709 5.029 4.320 0.000 0.000 0.248 108 A C -0.263 177.317 177.584 -0.006 0.000 1.082 108 A CA -0.227 51.832 52.037 0.037 0.000 0.789 108 A CB 0.761 19.811 19.000 0.083 0.000 1.025 108 A HN 0.747 nan 8.150 nan 0.000 0.490 109 V N 1.250 121.155 119.914 -0.014 0.000 2.409 109 V HA 0.613 4.733 4.120 0.000 0.000 0.291 109 V C 0.365 176.388 176.094 -0.119 0.000 1.020 109 V CA -0.029 62.242 62.300 -0.049 0.000 0.848 109 V CB 1.046 32.849 31.823 -0.034 0.000 0.990 109 V HN 1.180 nan 8.190 nan 0.000 0.430 110 A N 5.361 128.056 122.820 -0.209 0.000 2.342 110 A HA 0.860 5.180 4.320 0.000 0.000 0.323 110 A C -0.999 176.324 177.584 -0.435 0.000 1.125 110 A CA -0.568 51.193 52.037 -0.460 0.000 0.785 110 A CB 1.340 19.791 19.000 -0.915 0.000 1.221 110 A HN 0.879 nan 8.150 nan 0.000 0.463 111 L N 2.372 123.332 121.223 -0.439 0.000 2.272 111 L HA 0.413 4.753 4.340 0.000 0.000 0.289 111 L C -0.840 175.824 176.870 -0.344 0.000 1.032 111 L CA -0.513 54.118 54.840 -0.348 0.000 0.810 111 L CB 1.021 42.816 42.059 -0.440 0.000 1.205 111 L HN 0.718 nan 8.230 nan 0.000 0.422 112 D N 3.917 124.226 120.400 -0.151 0.000 2.373 112 D HA 0.135 4.775 4.640 0.000 0.000 0.227 112 D C -0.350 175.979 176.300 0.049 0.000 1.091 112 D CA -0.217 53.787 54.000 0.007 0.000 0.840 112 D CB 1.359 42.240 40.800 0.134 0.000 1.060 112 D HN 0.463 nan 8.370 nan 0.000 0.502 113 T N 3.360 117.922 114.554 0.014 0.000 2.946 113 T HA -0.057 4.293 4.350 0.000 0.000 0.311 113 T C 0.622 175.391 174.700 0.115 0.000 1.063 113 T CA 0.173 62.295 62.100 0.035 0.000 1.139 113 T CB 0.652 69.538 68.868 0.030 0.000 0.994 113 T HN 0.225 nan 8.240 nan 0.000 0.547 114 K N 3.333 123.824 120.400 0.152 0.000 2.319 114 K HA 0.262 4.582 4.320 0.000 0.000 0.237 114 K C 0.739 177.445 176.600 0.176 0.000 1.113 114 K CA -0.440 55.948 56.287 0.168 0.000 1.072 114 K CB -0.115 32.477 32.500 0.154 0.000 1.734 114 K HN 0.769 nan 8.250 nan 0.000 0.429 115 G N 3.013 111.961 108.800 0.247 0.000 2.466 115 G HA2 0.014 3.974 3.960 0.000 0.000 0.279 115 G HA3 0.014 3.974 3.960 0.000 0.000 0.279 115 G C -2.057 172.959 174.900 0.192 0.000 1.410 115 G CA -0.741 44.528 45.100 0.281 0.000 1.065 115 G HN 0.485 nan 8.290 nan 0.000 0.547 116 P HA 0.082 nan 4.420 nan 0.000 0.252 116 P C -0.468 176.593 177.300 -0.399 0.000 1.635 116 P CA 0.497 63.520 63.100 -0.129 0.000 1.206 116 P CB -0.510 31.106 31.700 -0.140 0.000 1.911 117 E N 2.781 122.840 120.200 -0.234 0.000 2.244 117 E HA 0.575 4.925 4.350 0.000 0.000 0.266 117 E C -0.834 175.646 176.600 -0.201 0.000 0.914 117 E CA -1.265 54.960 56.400 -0.292 0.000 0.794 117 E CB 1.586 31.295 29.700 0.015 0.000 1.210 117 E HN 0.156 nan 8.360 nan 0.000 0.414 118 I N 1.817 122.259 120.570 -0.212 0.000 2.377 118 I HA 0.455 4.625 4.170 0.000 0.000 0.293 118 I C 0.220 176.294 176.117 -0.070 0.000 0.987 118 I CA -0.791 60.418 61.300 -0.152 0.000 1.185 118 I CB 1.276 39.162 38.000 -0.190 0.000 1.341 118 I HN 0.406 nan 8.210 nan 0.000 0.455 119 R N 2.765 123.228 120.500 -0.061 0.000 2.771 119 R HA 0.518 4.858 4.340 0.000 0.000 0.274 119 R C -0.537 175.744 176.300 -0.031 0.000 0.987 119 R CA -0.771 55.322 56.100 -0.011 0.000 0.908 119 R CB 2.629 32.947 30.300 0.029 0.000 1.213 119 R HN 0.738 nan 8.270 nan 0.000 0.468 120 T N -1.468 113.111 114.554 0.043 0.000 2.824 120 T HA 0.514 4.864 4.350 0.000 0.000 0.277 120 T C 0.802 175.658 174.700 0.260 0.000 0.975 120 T CA -0.516 61.639 62.100 0.091 0.000 0.966 120 T CB 1.415 70.346 68.868 0.104 0.000 1.054 120 T HN 0.598 nan 8.240 nan 0.000 0.533 121 G N -0.017 109.055 108.800 0.453 0.000 2.543 121 G HA2 0.531 4.492 3.960 0.000 0.000 0.267 121 G HA3 0.531 4.492 3.960 0.000 0.000 0.267 121 G C -0.574 174.475 174.900 0.247 0.000 1.406 121 G CA -0.990 44.410 45.100 0.499 0.000 1.048 121 G HN 0.651 nan 8.290 nan 0.000 0.548 122 L N 0.214 121.532 121.223 0.159 0.000 2.375 122 L HA 0.411 4.752 4.340 0.000 0.000 0.271 122 L C 0.628 177.559 176.870 0.100 0.000 1.107 122 L CA -0.282 54.619 54.840 0.103 0.000 0.806 122 L CB 1.063 43.154 42.059 0.054 0.000 1.146 122 L HN 0.301 nan 8.230 nan 0.000 0.447 123 I N 1.994 122.617 120.570 0.088 0.000 2.532 123 I HA 0.136 4.306 4.170 0.000 0.000 0.292 123 I C 1.771 177.927 176.117 0.065 0.000 1.014 123 I CA -0.194 61.156 61.300 0.084 0.000 1.340 123 I CB 1.080 39.131 38.000 0.085 0.000 1.422 123 I HN 0.814 nan 8.210 nan 0.000 0.528 124 K N 4.665 125.105 120.400 0.067 0.000 2.250 124 K HA -0.288 4.032 4.320 0.000 0.000 0.217 124 K C 1.556 178.179 176.600 0.038 0.000 1.010 124 K CA 2.888 59.207 56.287 0.054 0.000 0.937 124 K CB -1.641 30.891 32.500 0.054 0.000 0.892 124 K HN 1.303 nan 8.250 nan 0.000 0.481 125 G N -3.168 105.655 108.800 0.038 0.000 2.981 125 G HA2 -0.186 3.775 3.960 0.000 0.000 0.199 125 G HA3 -0.186 3.775 3.960 0.000 0.000 0.199 125 G C 1.557 176.471 174.900 0.023 0.000 1.586 125 G CA 0.925 46.041 45.100 0.027 0.000 1.162 125 G HN 1.736 nan 8.290 nan 0.000 0.538 126 S N 1.392 117.106 115.700 0.023 0.000 2.631 126 S HA 0.472 4.942 4.470 0.000 0.000 0.217 126 S C 1.628 176.244 174.600 0.027 0.000 0.958 126 S CA 1.203 59.415 58.200 0.020 0.000 0.920 126 S CB 0.659 63.869 63.200 0.016 0.000 0.776 126 S HN 1.621 nan 8.310 nan 0.000 0.517 127 G N 0.455 109.277 108.800 0.037 0.000 3.702 127 G HA2 0.409 4.369 3.960 0.000 0.000 0.288 127 G HA3 0.409 4.369 3.960 0.000 0.000 0.288 127 G C 0.325 175.258 174.900 0.056 0.000 1.193 127 G CA -0.049 45.081 45.100 0.051 0.000 0.952 127 G HN 0.421 nan 8.290 nan 0.000 0.544 128 T N -0.929 113.644 114.554 0.032 0.000 5.496 128 T HA -0.264 4.086 4.350 0.000 0.000 0.269 128 T C 1.712 176.426 174.700 0.025 0.000 2.195 128 T CA 1.262 63.371 62.100 0.014 0.000 3.732 128 T CB -1.782 67.085 68.868 -0.001 0.000 0.680 128 T HN 1.972 nan 8.240 nan 0.000 1.131 129 A N -0.301 122.541 122.820 0.038 0.000 2.869 129 A HA -0.235 4.086 4.320 0.000 0.000 0.272 129 A C 0.287 177.910 177.584 0.066 0.000 1.332 129 A CA 2.296 54.359 52.037 0.045 0.000 0.939 129 A CB -1.265 17.752 19.000 0.029 0.000 1.018 129 A HN 0.872 nan 8.150 nan 0.000 0.696 130 E N -0.843 119.409 120.200 0.086 0.000 2.378 130 E HA 0.442 4.793 4.350 0.000 0.000 0.282 130 E C -0.202 176.528 176.600 0.217 0.000 0.910 130 E CA -0.566 55.920 56.400 0.142 0.000 0.816 130 E CB 1.831 31.609 29.700 0.131 0.000 1.359 130 E HN 0.236 nan 8.360 nan 0.000 0.397 131 V N 1.299 121.324 119.914 0.184 0.000 3.751 131 V HA 0.451 4.571 4.120 0.000 0.000 0.279 131 V C 0.710 176.913 176.094 0.180 0.000 1.010 131 V CA 0.188 62.584 62.300 0.161 0.000 1.015 131 V CB 0.998 32.871 31.823 0.082 0.000 1.240 131 V HN 0.828 nan 8.190 nan 0.000 0.438 132 E N 1.077 121.275 120.200 -0.005 0.000 2.731 132 E HA 0.512 4.862 4.350 0.000 0.000 0.248 132 E C -1.081 175.359 176.600 -0.268 0.000 1.084 132 E CA -0.666 55.517 56.400 -0.361 0.000 0.776 132 E CB 0.772 30.197 29.700 -0.458 0.000 1.404 132 E HN 0.462 nan 8.360 nan 0.000 0.395 133 L N 1.557 122.648 121.223 -0.220 0.000 2.418 133 L HA 0.487 4.827 4.340 0.000 0.000 0.274 133 L C 0.988 177.756 176.870 -0.170 0.000 1.135 133 L CA -0.116 54.638 54.840 -0.144 0.000 0.870 133 L CB -0.359 41.641 42.059 -0.097 0.000 1.154 133 L HN 0.715 nan 8.230 nan 0.000 0.462 134 K N 2.450 122.776 120.400 -0.125 0.000 2.172 134 K HA 0.578 4.899 4.320 0.000 0.000 0.276 134 K C 0.541 177.095 176.600 -0.077 0.000 1.013 134 K CA -0.381 55.842 56.287 -0.107 0.000 0.913 134 K CB 0.125 32.577 32.500 -0.080 0.000 1.055 134 K HN 0.653 nan 8.250 nan 0.000 0.461 135 K N 0.752 121.111 120.400 -0.068 0.000 2.320 135 K HA 0.416 4.736 4.320 0.000 0.000 0.273 135 K C 1.392 177.967 176.600 -0.040 0.000 1.146 135 K CA 0.715 56.972 56.287 -0.049 0.000 1.144 135 K CB -1.285 31.193 32.500 -0.037 0.000 0.878 135 K HN 2.245 nan 8.250 nan 0.000 0.458 136 G N -0.166 108.609 108.800 -0.041 0.000 2.284 136 G HA2 0.187 4.147 3.960 0.000 0.000 0.201 136 G HA3 0.187 4.147 3.960 0.000 0.000 0.201 136 G C 0.716 175.595 174.900 -0.035 0.000 0.998 136 G CA 0.212 45.291 45.100 -0.035 0.000 0.651 136 G HN 1.847 nan 8.290 nan 0.000 0.489 137 A N 0.013 122.809 122.820 -0.040 0.000 2.409 137 A HA 0.659 4.979 4.320 0.000 0.000 0.246 137 A C 0.716 178.279 177.584 -0.035 0.000 1.099 137 A CA 1.427 53.442 52.037 -0.036 0.000 0.789 137 A CB 0.349 19.324 19.000 -0.042 0.000 1.053 137 A HN 1.254 nan 8.150 nan 0.000 0.503 138 T N 0.411 114.948 114.554 -0.028 0.000 2.829 138 T HA 0.552 4.902 4.350 0.000 0.000 0.282 138 T C -0.786 173.900 174.700 -0.024 0.000 0.990 138 T CA -0.393 61.692 62.100 -0.026 0.000 1.028 138 T CB -0.030 68.829 68.868 -0.016 0.000 0.951 138 T HN 0.533 nan 8.240 nan 0.000 0.460 139 L N 4.773 125.980 121.223 -0.027 0.000 2.409 139 L HA 0.590 4.931 4.340 0.000 0.000 0.272 139 L C -0.571 176.291 176.870 -0.014 0.000 0.980 139 L CA -0.875 53.952 54.840 -0.022 0.000 0.826 139 L CB 1.711 43.752 42.059 -0.030 0.000 1.268 139 L HN 0.611 nan 8.230 nan 0.000 0.407 140 K N 5.891 126.291 120.400 0.001 0.000 2.253 140 K HA 0.479 4.800 4.320 0.000 0.000 0.277 140 K C -0.821 175.796 176.600 0.028 0.000 1.053 140 K CA -0.478 55.829 56.287 0.034 0.000 0.892 140 K CB 0.866 33.403 32.500 0.062 0.000 1.102 140 K HN 0.563 nan 8.250 nan 0.000 0.469 141 I N 3.364 123.951 120.570 0.028 0.000 2.395 141 I HA 0.101 4.271 4.170 0.000 0.000 0.289 141 I C 0.416 176.582 176.117 0.081 0.000 1.023 141 I CA -0.151 61.162 61.300 0.023 0.000 1.350 141 I CB 1.694 39.679 38.000 -0.025 0.000 1.409 141 I HN 0.637 nan 8.210 nan 0.000 0.507 142 T N 5.939 120.551 114.554 0.098 0.000 2.893 142 T HA 0.531 4.881 4.350 0.000 0.000 0.291 142 T C 0.315 175.136 174.700 0.201 0.000 1.028 142 T CA -0.587 61.621 62.100 0.180 0.000 0.995 142 T CB 1.303 70.278 68.868 0.179 0.000 1.051 142 T HN 0.492 nan 8.240 nan 0.000 0.470 143 L N 1.945 123.303 121.223 0.225 0.000 2.664 143 L HA 0.346 4.686 4.340 0.000 0.000 0.233 143 L C 0.562 177.729 176.870 0.496 0.000 1.113 143 L CA -0.176 54.782 54.840 0.197 0.000 0.896 143 L CB 0.224 42.325 42.059 0.070 0.000 1.163 143 L HN 0.650 nan 8.230 nan 0.000 0.497 144 D N 0.609 121.293 120.400 0.473 0.000 2.363 144 D HA -0.061 4.580 4.640 0.000 0.000 0.263 144 D C 0.907 177.358 176.300 0.250 0.000 1.258 144 D CA 0.296 54.505 54.000 0.349 0.000 0.907 144 D CB 0.306 41.295 40.800 0.314 0.000 1.107 144 D HN 0.120 nan 8.370 nan 0.000 0.495 145 N N 3.051 121.814 118.700 0.105 0.000 2.659 145 N HA -0.202 4.538 4.740 0.000 0.000 0.194 145 N C 1.311 176.571 175.510 -0.417 0.000 1.140 145 N CA 0.378 53.263 53.050 -0.274 0.000 0.936 145 N CB 0.148 38.570 38.487 -0.108 0.000 0.970 145 N HN 0.513 nan 8.380 nan 0.000 0.449 146 A N 0.698 123.324 122.820 -0.325 0.000 1.872 146 A HA -0.110 4.210 4.320 0.000 0.000 0.214 146 A C 1.171 178.428 177.584 -0.545 0.000 1.187 146 A CA 0.960 52.718 52.037 -0.465 0.000 0.614 146 A CB -0.581 18.059 19.000 -0.600 0.000 0.826 146 A HN 0.334 nan 8.150 nan 0.000 0.442 147 Y N -0.506 119.683 120.300 -0.185 0.000 2.477 147 Y HA 0.170 4.720 4.550 0.000 0.000 0.303 147 Y C 1.943 177.696 175.900 -0.245 0.000 1.202 147 Y CA 0.338 58.365 58.100 -0.123 0.000 1.282 147 Y CB -0.663 37.810 38.460 0.021 0.000 1.071 147 Y HN 0.364 nan 8.280 nan 0.000 0.510 148 M N 0.348 119.610 119.600 -0.563 0.000 2.192 148 M HA -0.281 4.199 4.480 0.000 0.000 0.259 148 M C 0.511 176.603 176.300 -0.347 0.000 1.071 148 M CA 2.082 56.787 55.300 -0.992 0.000 1.082 148 M CB 0.097 31.984 32.600 -1.189 0.000 1.373 148 M HN 0.299 nan 8.290 nan 0.000 0.408 149 E N -0.844 119.240 120.200 -0.193 0.000 2.812 149 E HA 0.142 4.493 4.350 0.000 0.000 0.211 149 E C -0.300 176.298 176.600 -0.003 0.000 0.986 149 E CA -0.045 56.315 56.400 -0.068 0.000 1.119 149 E CB 0.762 30.409 29.700 -0.087 0.000 1.046 149 E HN 0.305 nan 8.360 nan 0.000 0.474 150 K N 0.928 121.356 120.400 0.045 0.000 2.992 150 K HA 0.363 4.684 4.320 0.000 0.000 0.178 150 K C -0.854 175.842 176.600 0.159 0.000 1.122 150 K CA -0.482 55.862 56.287 0.096 0.000 0.926 150 K CB -0.375 32.181 32.500 0.095 0.000 1.121 150 K HN 0.097 nan 8.250 nan 0.000 0.610 151 C N 3.211 122.591 119.300 0.134 0.000 2.265 151 C HA 0.595 5.055 4.460 0.000 0.000 0.332 151 C C 0.044 175.088 174.990 0.091 0.000 1.248 151 C CA -1.024 58.073 59.018 0.132 0.000 1.727 151 C CB -0.306 27.524 27.740 0.151 0.000 2.348 151 C HN 0.825 nan 8.230 nan 0.000 0.519 152 D N 1.182 121.622 120.400 0.066 0.000 2.564 152 D HA 0.125 4.765 4.640 0.000 0.000 0.273 152 D C 0.665 176.984 176.300 0.032 0.000 1.192 152 D CA -0.530 53.498 54.000 0.047 0.000 1.080 152 D CB 0.641 41.460 40.800 0.031 0.000 1.160 152 D HN 0.604 nan 8.370 nan 0.000 0.607 153 E N -0.667 119.545 120.200 0.021 0.000 2.511 153 E HA -0.056 4.294 4.350 0.000 0.000 0.196 153 E C 0.138 176.734 176.600 -0.007 0.000 1.066 153 E CA 0.464 56.866 56.400 0.004 0.000 0.871 153 E CB 0.105 29.803 29.700 -0.003 0.000 0.863 153 E HN 0.261 nan 8.360 nan 0.000 0.520 154 N N -1.078 117.617 118.700 -0.009 0.000 2.419 154 N HA 0.142 4.883 4.740 0.000 0.000 0.216 154 N C -0.726 174.762 175.510 -0.038 0.000 1.118 154 N CA -0.056 52.981 53.050 -0.021 0.000 0.850 154 N CB 0.929 39.401 38.487 -0.024 0.000 1.292 154 N HN -0.071 nan 8.380 nan 0.000 0.467 155 I N 1.270 121.813 120.570 -0.046 0.000 2.378 155 I HA 0.406 4.576 4.170 0.000 0.000 0.291 155 I C -1.202 174.918 176.117 0.006 0.000 0.992 155 I CA -0.803 60.446 61.300 -0.085 0.000 1.154 155 I CB 1.690 39.561 38.000 -0.216 0.000 1.315 155 I HN -0.064 nan 8.210 nan 0.000 0.448 156 L N 7.296 128.541 121.223 0.038 0.000 2.476 156 L HA 0.546 4.886 4.340 0.000 0.000 0.269 156 L C -1.835 175.140 176.870 0.176 0.000 0.965 156 L CA -0.353 54.551 54.840 0.106 0.000 0.845 156 L CB 1.452 43.546 42.059 0.058 0.000 1.259 156 L HN 0.655 nan 8.230 nan 0.000 0.403 157 W N 7.133 128.469 121.300 0.059 0.000 2.551 157 W HA 0.704 5.364 4.660 0.000 0.000 0.330 157 W C -1.580 174.982 176.519 0.071 0.000 1.063 157 W CA -0.683 56.711 57.345 0.081 0.000 1.222 157 W CB 1.535 31.068 29.460 0.121 0.000 1.349 157 W HN 0.511 nan 8.180 nan 0.000 0.536 158 L N 2.918 123.609 121.223 -0.886 0.000 2.409 158 L HA 0.527 4.867 4.340 0.000 0.000 0.262 158 L C 0.354 176.396 176.870 -1.381 0.000 0.992 158 L CA -0.883 53.459 54.840 -0.829 0.000 0.817 158 L CB 1.675 43.532 42.059 -0.337 0.000 1.350 158 L HN 0.538 nan 8.230 nan 0.000 0.411 159 D N -0.685 119.138 120.400 -0.962 0.000 2.371 159 D HA -0.139 4.501 4.640 0.000 0.000 0.221 159 D C 0.323 176.505 176.300 -0.196 0.000 0.986 159 D CA 0.695 54.341 54.000 -0.590 0.000 0.899 159 D CB -0.381 40.312 40.800 -0.177 0.000 0.902 159 D HN 0.534 nan 8.370 nan 0.000 0.530 160 Y N 2.328 122.441 120.300 -0.311 0.000 2.613 160 Y HA 0.181 4.732 4.550 0.000 0.000 0.354 160 Y C 1.006 176.813 175.900 -0.156 0.000 1.063 160 Y CA -1.199 56.789 58.100 -0.185 0.000 1.384 160 Y CB 0.453 38.815 38.460 -0.164 0.000 1.199 160 Y HN -0.296 nan 8.280 nan 0.000 0.517 161 K N 3.043 123.276 120.400 -0.277 0.000 2.057 161 K HA -0.183 4.137 4.320 0.000 0.000 0.207 161 K C 0.685 177.017 176.600 -0.447 0.000 1.049 161 K CA 1.484 57.604 56.287 -0.277 0.000 0.931 161 K CB -0.207 32.219 32.500 -0.122 0.000 0.714 161 K HN 0.732 nan 8.250 nan 0.000 0.440 162 N N 1.363 119.615 118.700 -0.746 0.000 2.421 162 N HA 0.043 4.783 4.740 0.000 0.000 0.201 162 N C 1.459 176.503 175.510 -0.777 0.000 1.198 162 N CA -0.226 52.440 53.050 -0.640 0.000 0.838 162 N CB -0.057 38.179 38.487 -0.417 0.000 1.011 162 N HN 0.139 nan 8.380 nan 0.000 0.463 163 I N 0.116 120.123 120.570 -0.938 0.000 2.248 163 I HA -0.361 3.809 4.170 0.000 0.000 0.248 163 I C 1.501 177.526 176.117 -0.154 0.000 1.107 163 I CA 1.324 62.404 61.300 -0.366 0.000 1.373 163 I CB 0.029 37.957 38.000 -0.119 0.000 1.055 163 I HN 0.281 nan 8.210 nan 0.000 0.418 164 C N 0.434 119.628 119.300 -0.177 0.000 2.500 164 C HA -0.054 4.406 4.460 0.000 0.000 0.273 164 C C 2.350 177.286 174.990 -0.091 0.000 1.428 164 C CA 0.356 59.305 59.018 -0.116 0.000 1.766 164 C CB -1.246 26.432 27.740 -0.105 0.000 1.817 164 C HN 0.452 nan 8.230 nan 0.000 0.543 165 K N 0.441 120.778 120.400 -0.104 0.000 2.444 165 K HA 0.134 4.454 4.320 0.000 0.000 0.193 165 K C 0.950 177.533 176.600 -0.028 0.000 1.024 165 K CA 0.517 56.766 56.287 -0.065 0.000 1.077 165 K CB 0.247 32.702 32.500 -0.075 0.000 0.833 165 K HN 0.322 nan 8.250 nan 0.000 0.517 166 V N 0.685 120.591 119.914 -0.012 0.000 3.537 166 V HA 0.135 4.256 4.120 0.000 0.000 0.315 166 V C -1.165 174.937 176.094 0.014 0.000 1.541 166 V CA -0.242 62.070 62.300 0.020 0.000 1.160 166 V CB 1.533 33.400 31.823 0.073 0.000 0.998 166 V HN 0.071 nan 8.190 nan 0.000 0.473 167 V N -1.433 118.476 119.914 -0.009 0.000 2.419 167 V HA 0.692 4.812 4.120 0.000 0.000 0.287 167 V C -0.736 175.332 176.094 -0.043 0.000 1.017 167 V CA -0.638 61.650 62.300 -0.019 0.000 0.844 167 V CB 1.320 33.133 31.823 -0.016 0.000 1.011 167 V HN 0.137 nan 8.190 nan 0.000 0.429 168 D N 2.665 123.042 120.400 -0.039 0.000 2.387 168 D HA 0.434 5.074 4.640 0.000 0.000 0.251 168 D C 0.289 176.556 176.300 -0.054 0.000 1.141 168 D CA -0.240 53.732 54.000 -0.047 0.000 0.987 168 D CB 2.389 43.167 40.800 -0.036 0.000 1.116 168 D HN 0.503 nan 8.370 nan 0.000 0.491 169 V N 0.715 120.593 119.914 -0.060 0.000 2.644 169 V HA 0.282 4.402 4.120 0.000 0.000 0.305 169 V C 1.591 177.655 176.094 -0.049 0.000 1.053 169 V CA 1.604 63.866 62.300 -0.062 0.000 1.186 169 V CB 0.365 32.153 31.823 -0.059 0.000 0.895 169 V HN 0.994 nan 8.190 nan 0.000 0.490 170 G N 3.542 112.311 108.800 -0.053 0.000 2.313 170 G HA2 -0.241 3.720 3.960 0.000 0.000 0.215 170 G HA3 -0.241 3.720 3.960 0.000 0.000 0.215 170 G C 0.426 175.300 174.900 -0.043 0.000 1.023 170 G CA 0.118 45.192 45.100 -0.044 0.000 0.626 170 G HN 1.306 nan 8.290 nan 0.000 0.503 171 S N 0.761 116.436 115.700 -0.042 0.000 2.573 171 S HA 0.581 5.051 4.470 0.000 0.000 0.277 171 S C -0.036 174.529 174.600 -0.058 0.000 1.346 171 S CA 0.340 58.519 58.200 -0.034 0.000 1.034 171 S CB 1.627 64.812 63.200 -0.025 0.000 0.879 171 S HN 0.443 nan 8.310 nan 0.000 0.528 172 K N 0.750 121.120 120.400 -0.049 0.000 2.159 172 K HA 0.611 4.931 4.320 0.000 0.000 0.266 172 K C -0.920 175.586 176.600 -0.156 0.000 0.975 172 K CA -0.695 55.501 56.287 -0.153 0.000 0.865 172 K CB 1.757 34.152 32.500 -0.175 0.000 1.087 172 K HN 0.535 nan 8.250 nan 0.000 0.446 173 V N 5.116 124.865 119.914 -0.275 0.000 2.407 173 V HA 0.453 4.574 4.120 0.000 0.000 0.291 173 V C -1.585 174.340 176.094 -0.280 0.000 1.018 173 V CA -0.580 61.625 62.300 -0.158 0.000 0.842 173 V CB 0.302 32.070 31.823 -0.092 0.000 0.996 173 V HN 0.618 nan 8.190 nan 0.000 0.426 174 Y N 4.489 124.783 120.300 -0.010 0.000 2.320 174 Y HA 0.718 5.268 4.550 0.000 0.000 0.324 174 Y C 0.320 176.222 175.900 0.003 0.000 1.190 174 Y CA -0.565 57.535 58.100 -0.000 0.000 1.215 174 Y CB 1.924 40.388 38.460 0.007 0.000 1.221 174 Y HN 0.443 nan 8.280 nan 0.000 0.486 175 V N 2.198 122.196 119.914 0.141 0.000 2.709 175 V HA 0.291 4.412 4.120 0.000 0.000 0.308 175 V C -0.801 175.357 176.094 0.106 0.000 1.062 175 V CA -1.255 61.103 62.300 0.096 0.000 0.901 175 V CB 1.712 33.565 31.823 0.050 0.000 1.003 175 V HN 0.868 nan 8.190 nan 0.000 0.425 176 D N 3.768 124.228 120.400 0.100 0.000 3.515 176 D HA -0.166 4.474 4.640 0.000 0.000 0.247 176 D C 0.263 176.621 176.300 0.097 0.000 1.084 176 D CA 1.287 55.345 54.000 0.097 0.000 1.030 176 D CB -0.787 40.068 40.800 0.092 0.000 0.946 176 D HN 1.103 nan 8.370 nan 0.000 0.420 177 D N 0.955 121.411 120.400 0.094 0.000 2.689 177 D HA -0.157 4.483 4.640 0.000 0.000 0.237 177 D C 1.209 177.553 176.300 0.073 0.000 1.148 177 D CA 2.701 56.747 54.000 0.077 0.000 0.656 177 D CB -1.182 39.659 40.800 0.068 0.000 1.050 177 D HN 1.141 nan 8.370 nan 0.000 0.426 178 G N -0.785 108.076 108.800 0.102 0.000 2.243 178 G HA2 -0.386 3.574 3.960 0.000 0.000 0.276 178 G HA3 -0.386 3.574 3.960 0.000 0.000 0.276 178 G C 1.289 176.295 174.900 0.176 0.000 0.997 178 G CA 0.782 45.966 45.100 0.140 0.000 0.693 178 G HN 0.594 nan 8.290 nan 0.000 0.529 179 L N -0.855 120.444 121.223 0.125 0.000 2.201 179 L HA 0.173 4.513 4.340 0.000 0.000 0.212 179 L C 1.481 178.417 176.870 0.111 0.000 1.105 179 L CA 0.873 55.776 54.840 0.105 0.000 0.775 179 L CB -0.119 41.990 42.059 0.084 0.000 0.913 179 L HN 0.309 nan 8.230 nan 0.000 0.440 180 I N -0.402 120.237 120.570 0.116 0.000 2.406 180 I HA 0.178 4.348 4.170 0.000 0.000 0.290 180 I C 0.005 176.147 176.117 0.041 0.000 0.999 180 I CA -0.314 61.024 61.300 0.063 0.000 1.124 180 I CB 1.838 39.857 38.000 0.031 0.000 1.289 180 I HN -0.011 nan 8.210 nan 0.000 0.441 181 S N 7.335 123.004 115.700 -0.053 0.000 2.568 181 S HA 0.873 5.343 4.470 0.000 0.000 0.302 181 S C -0.865 173.581 174.600 -0.256 0.000 1.082 181 S CA -0.778 57.236 58.200 -0.310 0.000 1.009 181 S CB 1.998 64.986 63.200 -0.353 0.000 1.069 181 S HN 0.500 nan 8.310 nan 0.000 0.500 182 L N 1.384 122.406 121.223 -0.335 0.000 2.422 182 L HA 0.573 4.914 4.340 0.000 0.000 0.264 182 L C -0.644 176.099 176.870 -0.211 0.000 0.984 182 L CA -0.659 54.056 54.840 -0.208 0.000 0.819 182 L CB 2.291 44.259 42.059 -0.151 0.000 1.330 182 L HN 0.785 nan 8.230 nan 0.000 0.410 183 Q N 1.883 121.596 119.800 -0.144 0.000 2.348 183 Q HA 0.404 4.744 4.340 0.000 0.000 0.265 183 Q C -1.192 174.750 176.000 -0.097 0.000 0.998 183 Q CA -0.711 55.021 55.803 -0.118 0.000 0.831 183 Q CB 2.160 30.843 28.738 -0.091 0.000 1.251 183 Q HN 0.516 nan 8.270 nan 0.000 0.456 184 V N 6.083 125.939 119.914 -0.097 0.000 2.441 184 V HA -0.074 4.046 4.120 0.000 0.000 0.279 184 V C 0.982 177.024 176.094 -0.086 0.000 0.990 184 V CA 0.471 62.712 62.300 -0.097 0.000 1.116 184 V CB 0.219 31.983 31.823 -0.098 0.000 0.977 184 V HN 0.781 nan 8.190 nan 0.000 0.470 185 K N 3.129 123.478 120.400 -0.085 0.000 2.166 185 K HA 0.094 4.414 4.320 0.000 0.000 0.201 185 K C 0.734 177.288 176.600 -0.078 0.000 1.052 185 K CA 0.772 57.017 56.287 -0.069 0.000 0.969 185 K CB 0.286 32.753 32.500 -0.055 0.000 0.761 185 K HN 0.769 nan 8.250 nan 0.000 0.459 186 Q N 0.536 120.270 119.800 -0.110 0.000 2.340 186 Q HA 0.238 4.579 4.340 0.000 0.000 0.276 186 Q C -1.246 174.614 176.000 -0.234 0.000 1.048 186 Q CA -0.616 55.106 55.803 -0.134 0.000 0.832 186 Q CB 2.146 30.823 28.738 -0.101 0.000 1.373 186 Q HN -0.172 nan 8.270 nan 0.000 0.409 187 K N 1.081 121.351 120.400 -0.217 0.000 2.155 187 K HA 0.797 5.117 4.320 0.000 0.000 0.237 187 K C -0.476 175.860 176.600 -0.441 0.000 1.040 187 K CA 0.516 56.640 56.287 -0.272 0.000 0.912 187 K CB 1.028 33.435 32.500 -0.154 0.000 1.137 187 K HN 0.713 nan 8.250 nan 0.000 0.498 188 G N -0.333 108.224 108.800 -0.406 0.000 2.550 188 G HA2 0.283 4.244 3.960 0.000 0.000 0.293 188 G HA3 0.283 4.244 3.960 0.000 0.000 0.293 188 G C -2.438 172.456 174.900 -0.009 0.000 1.402 188 G CA -0.674 44.227 45.100 -0.331 0.000 0.784 188 G HN 0.466 nan 8.290 nan 0.000 0.482 189 P HA 0.095 nan 4.420 nan 0.000 0.215 189 P C 0.294 177.664 177.300 0.116 0.000 1.160 189 P CA 1.769 64.950 63.100 0.135 0.000 0.869 189 P CB 0.327 32.115 31.700 0.146 0.000 0.782 190 D N -1.778 118.756 120.400 0.224 0.000 2.582 190 D HA 0.204 4.845 4.640 0.000 0.000 0.246 190 D C 0.070 176.524 176.300 0.257 0.000 1.334 190 D CA -0.624 53.473 54.000 0.162 0.000 0.805 190 D CB -0.505 40.373 40.800 0.130 0.000 1.087 190 D HN 0.196 nan 8.370 nan 0.000 0.499 191 F N -0.518 119.423 119.950 -0.016 0.000 2.685 191 F HA 0.773 5.300 4.527 0.000 0.000 0.315 191 F C -2.358 173.424 175.800 -0.031 0.000 1.126 191 F CA -1.837 56.152 58.000 -0.019 0.000 0.950 191 F CB 1.176 40.170 39.000 -0.010 0.000 1.360 191 F HN -0.206 nan 8.300 nan 0.000 0.469 192 L N 2.796 123.812 121.223 -0.344 0.000 2.505 192 L HA 0.600 4.941 4.340 0.000 0.000 0.266 192 L C -1.309 175.423 176.870 -0.230 0.000 0.954 192 L CA -1.133 53.450 54.840 -0.428 0.000 0.852 192 L CB 2.043 43.964 42.059 -0.230 0.000 1.282 192 L HN 0.791 nan 8.230 nan 0.000 0.403 193 V N 2.886 122.656 119.914 -0.241 0.000 2.394 193 V HA 0.763 4.883 4.120 0.000 0.000 0.282 193 V C 0.111 176.152 176.094 -0.089 0.000 1.031 193 V CA 0.243 62.495 62.300 -0.080 0.000 0.881 193 V CB 1.766 33.581 31.823 -0.014 0.000 0.982 193 V HN 0.920 nan 8.190 nan 0.000 0.451 194 T N 2.588 117.103 114.554 -0.065 0.000 2.888 194 T HA 0.606 4.956 4.350 0.000 0.000 0.288 194 T C -0.667 173.998 174.700 -0.059 0.000 1.063 194 T CA -0.737 61.320 62.100 -0.072 0.000 1.010 194 T CB 1.926 70.744 68.868 -0.083 0.000 1.214 194 T HN 0.784 nan 8.240 nan 0.000 0.533 195 E N 0.847 121.008 120.200 -0.065 0.000 2.176 195 E HA 0.511 4.861 4.350 0.000 0.000 0.267 195 E C -0.933 175.626 176.600 -0.068 0.000 0.893 195 E CA -0.953 55.413 56.400 -0.057 0.000 0.761 195 E CB 1.633 31.303 29.700 -0.051 0.000 1.133 195 E HN 0.558 nan 8.360 nan 0.000 0.409 196 V N 5.481 125.358 119.914 -0.061 0.000 2.485 196 V HA -0.033 4.087 4.120 0.000 0.000 0.287 196 V C 0.967 177.023 176.094 -0.064 0.000 1.022 196 V CA 0.622 62.882 62.300 -0.067 0.000 1.067 196 V CB 0.707 32.492 31.823 -0.063 0.000 0.967 196 V HN 0.831 nan 8.190 nan 0.000 0.479 197 E N 3.058 123.214 120.200 -0.072 0.000 2.094 197 E HA 0.085 4.435 4.350 0.000 0.000 0.193 197 E C 0.178 176.754 176.600 -0.039 0.000 0.950 197 E CA 0.194 56.560 56.400 -0.056 0.000 0.842 197 E CB 0.208 29.867 29.700 -0.068 0.000 0.816 197 E HN 0.612 nan 8.360 nan 0.000 0.465 198 N N 1.674 120.352 118.700 -0.037 0.000 2.439 198 N HA 0.185 4.925 4.740 0.000 0.000 0.249 198 N C -0.093 175.397 175.510 -0.033 0.000 1.003 198 N CA 0.038 53.079 53.050 -0.015 0.000 0.942 198 N CB 1.591 40.090 38.487 0.020 0.000 1.115 198 N HN 0.062 nan 8.380 nan 0.000 0.505 199 G N 0.323 109.095 108.800 -0.045 0.000 2.684 199 G HA2 0.526 4.487 3.960 0.000 0.000 0.255 199 G HA3 0.526 4.487 3.960 0.000 0.000 0.255 199 G C 0.285 175.132 174.900 -0.089 0.000 1.219 199 G CA 0.112 45.162 45.100 -0.084 0.000 0.901 199 G HN 0.656 nan 8.290 nan 0.000 0.548 200 G N -2.196 106.497 108.800 -0.179 0.000 2.336 200 G HA2 0.371 4.331 3.960 0.000 0.000 0.300 200 G HA3 0.371 4.331 3.960 0.000 0.000 0.300 200 G C -1.480 173.241 174.900 -0.299 0.000 1.375 200 G CA -1.020 43.985 45.100 -0.157 0.000 0.885 200 G HN 0.507 nan 8.290 nan 0.000 0.599 201 F N 0.897 120.863 119.950 0.026 0.000 2.303 201 F HA 0.471 4.998 4.527 0.000 0.000 0.368 201 F C 0.723 176.542 175.800 0.032 0.000 1.105 201 F CA -0.640 57.376 58.000 0.027 0.000 1.153 201 F CB 1.393 40.408 39.000 0.025 0.000 1.362 201 F HN 0.403 nan 8.300 nan 0.000 0.511 202 L N 3.447 124.751 121.223 0.135 0.000 2.525 202 L HA 0.371 4.711 4.340 0.000 0.000 0.278 202 L C 0.595 177.545 176.870 0.133 0.000 1.218 202 L CA 0.463 55.370 54.840 0.112 0.000 0.878 202 L CB 0.009 42.112 42.059 0.074 0.000 1.127 202 L HN 0.575 nan 8.230 nan 0.000 0.492 203 G N 3.033 111.902 108.800 0.115 0.000 2.568 203 G HA2 0.515 4.475 3.960 0.000 0.000 0.293 203 G HA3 0.515 4.475 3.960 0.000 0.000 0.293 203 G C -0.904 174.057 174.900 0.101 0.000 1.347 203 G CA -0.618 44.544 45.100 0.103 0.000 1.039 203 G HN 0.684 nan 8.290 nan 0.000 0.523 204 S N -0.665 115.091 115.700 0.094 0.000 2.541 204 S HA 0.356 4.826 4.470 0.000 0.000 0.283 204 S C 0.316 174.987 174.600 0.119 0.000 1.196 204 S CA -0.462 57.800 58.200 0.104 0.000 1.062 204 S CB 1.240 64.492 63.200 0.087 0.000 1.009 204 S HN 0.706 nan 8.310 nan 0.000 0.502 205 K N 1.598 122.082 120.400 0.141 0.000 3.730 205 K HA -0.186 4.134 4.320 0.000 0.000 0.276 205 K C -0.823 175.864 176.600 0.145 0.000 0.904 205 K CA 0.680 57.058 56.287 0.152 0.000 0.741 205 K CB -0.730 31.863 32.500 0.156 0.000 1.542 205 K HN 0.303 nan 8.250 nan 0.000 0.446 206 K N 0.471 120.945 120.400 0.123 0.000 2.095 206 K HA 0.354 4.674 4.320 0.000 0.000 0.252 206 K C 0.655 177.313 176.600 0.097 0.000 0.977 206 K CA -0.002 56.355 56.287 0.116 0.000 0.900 206 K CB 1.475 34.037 32.500 0.102 0.000 1.060 206 K HN 0.420 nan 8.250 nan 0.000 0.449 207 G N 0.284 109.146 108.800 0.103 0.000 2.483 207 G HA2 0.358 4.318 3.960 0.000 0.000 0.248 207 G HA3 0.358 4.318 3.960 0.000 0.000 0.248 207 G C -0.624 174.316 174.900 0.066 0.000 1.248 207 G CA -0.363 44.788 45.100 0.084 0.000 0.838 207 G HN 0.213 nan 8.290 nan 0.000 0.566 208 V N 3.067 122.999 119.914 0.030 0.000 2.604 208 V HA 0.394 4.514 4.120 0.000 0.000 0.305 208 V C -0.463 175.636 176.094 0.008 0.000 1.043 208 V CA -1.116 61.199 62.300 0.024 0.000 0.888 208 V CB 1.841 33.657 31.823 -0.011 0.000 0.995 208 V HN 0.744 nan 8.190 nan 0.000 0.429 209 N N 4.503 123.244 118.700 0.068 0.000 2.342 209 N HA 0.546 5.286 4.740 0.000 0.000 0.293 209 N C -1.086 174.486 175.510 0.104 0.000 1.026 209 N CA -0.462 52.624 53.050 0.061 0.000 0.857 209 N CB 2.828 41.365 38.487 0.083 0.000 1.256 209 N HN 0.504 nan 8.380 nan 0.000 0.484 210 L N 3.295 124.534 121.223 0.026 0.000 2.599 210 L HA 0.312 4.652 4.340 0.000 0.000 0.241 210 L C -2.085 174.810 176.870 0.041 0.000 1.207 210 L CA -1.551 53.315 54.840 0.043 0.000 0.987 210 L CB 0.718 42.770 42.059 -0.011 0.000 1.318 210 L HN 0.196 nan 8.230 nan 0.000 0.458 211 P HA -0.006 nan 4.420 nan 0.000 0.266 211 P C 0.609 177.928 177.300 0.032 0.000 1.195 211 P CA 0.644 63.770 63.100 0.042 0.000 0.768 211 P CB 0.880 32.596 31.700 0.028 0.000 0.838 212 G N 1.312 110.108 108.800 -0.006 0.000 2.363 212 G HA2 0.125 4.085 3.960 0.000 0.000 0.286 212 G HA3 0.125 4.085 3.960 0.000 0.000 0.286 212 G C -0.017 174.876 174.900 -0.012 0.000 0.975 212 G CA 0.092 45.175 45.100 -0.028 0.000 1.309 212 G HN 0.882 nan 8.290 nan 0.000 0.491 213 A N -0.058 122.753 122.820 -0.015 0.000 2.530 213 A HA 0.914 5.235 4.320 0.000 0.000 0.297 213 A C 0.150 177.727 177.584 -0.011 0.000 1.059 213 A CA 0.306 52.339 52.037 -0.006 0.000 0.782 213 A CB 0.617 19.621 19.000 0.006 0.000 1.301 213 A HN 2.268 nan 8.150 nan 0.000 0.394 214 A N 2.345 125.164 122.820 -0.000 0.000 2.993 214 A HA 0.478 4.798 4.320 0.000 0.000 0.281 214 A C 0.347 177.940 177.584 0.016 0.000 1.847 214 A CA 0.030 52.068 52.037 0.003 0.000 1.470 214 A CB -1.088 17.917 19.000 0.009 0.000 1.028 214 A HN 1.415 nan 8.150 nan 0.000 0.604 215 V N 3.105 123.000 119.914 -0.032 0.000 2.425 215 V HA -0.014 4.106 4.120 0.000 0.000 0.276 215 V C 0.752 176.825 176.094 -0.035 0.000 1.017 215 V CA 0.580 62.829 62.300 -0.084 0.000 1.062 215 V CB 0.294 31.933 31.823 -0.306 0.000 0.997 215 V HN 0.933 nan 8.190 nan 0.000 0.476 216 D N 3.901 124.362 120.400 0.103 0.000 2.413 216 D HA 0.112 4.753 4.640 0.000 0.000 0.237 216 D C 0.219 176.571 176.300 0.086 0.000 1.171 216 D CA -0.137 53.916 54.000 0.089 0.000 0.839 216 D CB -0.126 40.736 40.800 0.104 0.000 0.950 216 D HN 0.451 nan 8.370 nan 0.000 0.499 217 L N 0.947 122.176 121.223 0.009 0.000 2.436 217 L HA 0.313 4.653 4.340 0.000 0.000 0.265 217 L C -1.596 175.270 176.870 -0.006 0.000 1.168 217 L CA -1.847 52.993 54.840 0.001 0.000 0.815 217 L CB 0.439 42.419 42.059 -0.130 0.000 1.109 217 L HN 0.041 nan 8.230 nan 0.000 0.462 218 P HA 0.077 nan 4.420 nan 0.000 0.275 218 P C 0.021 177.336 177.300 0.025 0.000 1.227 218 P CA -0.321 62.793 63.100 0.024 0.000 0.781 218 P CB 1.413 33.134 31.700 0.035 0.000 0.906 219 A N 4.031 126.870 122.820 0.032 0.000 1.873 219 A HA -0.095 4.225 4.320 0.000 0.000 0.218 219 A C 1.050 178.668 177.584 0.058 0.000 1.193 219 A CA 1.599 53.665 52.037 0.048 0.000 0.629 219 A CB -1.010 18.014 19.000 0.040 0.000 0.826 219 A HN 0.463 nan 8.150 nan 0.000 0.447 220 V N 1.223 121.166 119.914 0.049 0.000 2.313 220 V HA 0.388 4.508 4.120 0.000 0.000 0.278 220 V C 0.558 176.682 176.094 0.050 0.000 1.017 220 V CA -0.169 62.162 62.300 0.051 0.000 0.823 220 V CB 0.712 32.562 31.823 0.045 0.000 1.010 220 V HN 0.638 nan 8.190 nan 0.000 0.443 221 S N 3.171 118.904 115.700 0.055 0.000 2.640 221 S HA 0.240 4.710 4.470 0.000 0.000 0.262 221 S C 1.090 175.723 174.600 0.056 0.000 1.232 221 S CA 0.165 58.397 58.200 0.054 0.000 0.988 221 S CB 1.214 64.448 63.200 0.057 0.000 1.034 221 S HN 0.654 nan 8.310 nan 0.000 0.569 222 E N 0.738 120.971 120.200 0.054 0.000 2.047 222 E HA -0.105 4.245 4.350 0.000 0.000 0.191 222 E C 1.989 178.627 176.600 0.063 0.000 0.987 222 E CA 1.677 58.109 56.400 0.053 0.000 0.799 222 E CB -0.392 29.336 29.700 0.047 0.000 0.752 222 E HN 0.738 nan 8.360 nan 0.000 0.449 223 K N 0.141 120.582 120.400 0.068 0.000 2.097 223 K HA -0.181 4.139 4.320 0.000 0.000 0.206 223 K C 1.398 178.066 176.600 0.113 0.000 1.049 223 K CA 1.709 58.048 56.287 0.086 0.000 0.933 223 K CB -0.149 32.404 32.500 0.088 0.000 0.717 223 K HN 0.099 nan 8.250 nan 0.000 0.442 224 D N 0.934 121.391 120.400 0.094 0.000 2.149 224 D HA -0.165 4.475 4.640 0.000 0.000 0.198 224 D C 1.929 178.270 176.300 0.068 0.000 0.990 224 D CA 1.167 55.215 54.000 0.080 0.000 0.839 224 D CB -0.116 40.725 40.800 0.067 0.000 0.948 224 D HN 0.345 nan 8.370 nan 0.000 0.460 225 I N 0.752 121.364 120.570 0.071 0.000 2.286 225 I HA -0.271 3.899 4.170 0.000 0.000 0.248 225 I C 2.436 178.611 176.117 0.095 0.000 1.115 225 I CA 0.998 62.338 61.300 0.067 0.000 1.392 225 I CB -0.205 37.831 38.000 0.060 0.000 1.065 225 I HN -0.004 nan 8.210 nan 0.000 0.418 226 Q N 0.582 120.458 119.800 0.127 0.000 2.016 226 Q HA -0.204 4.136 4.340 0.000 0.000 0.200 226 Q C 1.876 178.054 176.000 0.296 0.000 0.978 226 Q CA 1.561 57.485 55.803 0.202 0.000 0.833 226 Q CB -0.124 28.716 28.738 0.170 0.000 0.895 226 Q HN 0.452 nan 8.270 nan 0.000 0.427 227 D N 0.782 121.344 120.400 0.270 0.000 2.123 227 D HA -0.159 4.481 4.640 0.000 0.000 0.196 227 D C 1.983 178.267 176.300 -0.027 0.000 0.992 227 D CA 1.007 55.098 54.000 0.153 0.000 0.833 227 D CB -0.171 40.660 40.800 0.051 0.000 0.954 227 D HN 0.211 nan 8.370 nan 0.000 0.455 228 L N 0.622 121.837 121.223 -0.013 0.000 2.017 228 L HA -0.161 4.180 4.340 0.000 0.000 0.208 228 L C 2.451 179.320 176.870 -0.002 0.000 1.073 228 L CA 1.008 55.820 54.840 -0.047 0.000 0.745 228 L CB -0.300 41.747 42.059 -0.018 0.000 0.894 228 L HN -0.077 nan 8.230 nan 0.000 0.432 229 K N -0.200 120.239 120.400 0.064 0.000 2.063 229 K HA -0.225 4.096 4.320 0.000 0.000 0.208 229 K C 2.026 178.681 176.600 0.092 0.000 1.048 229 K CA 1.553 57.886 56.287 0.077 0.000 0.928 229 K CB -0.775 31.793 32.500 0.113 0.000 0.713 229 K HN 0.172 nan 8.250 nan 0.000 0.442 230 F N 1.538 121.468 119.950 -0.034 0.000 2.126 230 F HA -0.151 4.377 4.527 0.000 0.000 0.299 230 F C 2.115 177.849 175.800 -0.111 0.000 1.096 230 F CA 1.931 59.878 58.000 -0.087 0.000 1.255 230 F CB -0.717 38.094 39.000 -0.315 0.000 0.997 230 F HN 0.074 nan 8.300 nan 0.000 0.479 231 G N -0.174 108.514 108.800 -0.187 0.000 2.422 231 G HA2 -0.183 3.777 3.960 0.000 0.000 0.218 231 G HA3 -0.183 3.777 3.960 0.000 0.000 0.218 231 G C 1.724 176.485 174.900 -0.231 0.000 1.146 231 G CA 1.116 46.041 45.100 -0.293 0.000 0.769 231 G HN 0.359 nan 8.290 nan 0.000 0.547 232 V N 0.864 120.692 119.914 -0.143 0.000 2.358 232 V HA -0.159 3.961 4.120 0.000 0.000 0.246 232 V C 2.613 178.639 176.094 -0.115 0.000 1.047 232 V CA 2.108 64.349 62.300 -0.099 0.000 1.035 232 V CB -0.514 31.280 31.823 -0.049 0.000 0.658 232 V HN 0.473 nan 8.190 nan 0.000 0.452 233 E N -0.257 119.864 120.200 -0.132 0.000 2.204 233 E HA -0.184 4.166 4.350 0.000 0.000 0.194 233 E C 1.886 178.369 176.600 -0.195 0.000 0.989 233 E CA 0.734 57.059 56.400 -0.125 0.000 0.824 233 E CB -0.067 29.586 29.700 -0.078 0.000 0.756 233 E HN 0.639 nan 8.360 nan 0.000 0.477 234 Q N 0.659 120.263 119.800 -0.327 0.000 2.246 234 Q HA -0.017 4.323 4.340 0.000 0.000 0.202 234 Q C -0.533 175.345 176.000 -0.202 0.000 0.883 234 Q CA -0.117 55.487 55.803 -0.332 0.000 0.952 234 Q CB 0.435 28.814 28.738 -0.598 0.000 1.078 234 Q HN 0.096 nan 8.270 nan 0.000 0.493 235 D N 1.071 121.379 120.400 -0.153 0.000 2.697 235 D HA -0.146 4.494 4.640 0.000 0.000 0.235 235 D C -0.330 175.919 176.300 -0.085 0.000 1.167 235 D CA 0.410 54.354 54.000 -0.095 0.000 0.656 235 D CB -0.987 39.775 40.800 -0.064 0.000 1.025 235 D HN 0.201 nan 8.370 nan 0.000 0.419 236 V N -2.053 117.794 119.914 -0.112 0.000 3.003 236 V HA 0.331 4.451 4.120 0.000 0.000 0.305 236 V C 1.355 177.413 176.094 -0.061 0.000 1.078 236 V CA 0.112 62.353 62.300 -0.099 0.000 1.083 236 V CB 1.460 33.196 31.823 -0.145 0.000 1.039 236 V HN 0.053 nan 8.190 nan 0.000 0.481 237 D N 2.275 122.650 120.400 -0.042 0.000 2.327 237 D HA 0.185 4.825 4.640 0.000 0.000 0.205 237 D C 0.580 176.882 176.300 0.003 0.000 0.989 237 D CA 1.305 55.306 54.000 0.002 0.000 0.873 237 D CB 0.473 41.297 40.800 0.040 0.000 0.955 237 D HN 0.821 nan 8.370 nan 0.000 0.515 238 M N -1.469 118.102 119.600 -0.049 0.000 2.603 238 M HA 0.474 4.954 4.480 0.000 0.000 0.275 238 M C -1.785 174.440 176.300 -0.126 0.000 1.226 238 M CA -0.949 54.336 55.300 -0.025 0.000 0.870 238 M CB 2.884 35.533 32.600 0.083 0.000 1.716 238 M HN -0.434 nan 8.290 nan 0.000 0.482 239 V N 2.370 122.268 119.914 -0.026 0.000 2.487 239 V HA 0.531 4.651 4.120 0.000 0.000 0.298 239 V C -1.301 174.906 176.094 0.189 0.000 1.028 239 V CA -0.376 61.892 62.300 -0.054 0.000 0.860 239 V CB 1.804 33.599 31.823 -0.046 0.000 0.991 239 V HN 0.678 nan 8.190 nan 0.000 0.427 240 F N 3.642 123.557 119.950 -0.058 0.000 2.334 240 F HA 0.575 5.102 4.527 0.000 0.000 0.365 240 F C 0.829 176.590 175.800 -0.065 0.000 1.124 240 F CA -1.587 56.379 58.000 -0.057 0.000 1.166 240 F CB 0.722 39.693 39.000 -0.047 0.000 1.355 240 F HN 0.530 nan 8.300 nan 0.000 0.532 241 A N 2.848 125.734 122.820 0.110 0.000 2.395 241 A HA 0.451 4.771 4.320 0.000 0.000 0.286 241 A C 0.547 178.124 177.584 -0.012 0.000 1.193 241 A CA -0.272 51.788 52.037 0.037 0.000 0.852 241 A CB -0.224 18.788 19.000 0.020 0.000 1.118 241 A HN 0.577 nan 8.150 nan 0.000 0.524 242 S N 1.734 117.417 115.700 -0.030 0.000 2.564 242 S HA 0.406 4.876 4.470 0.000 0.000 0.278 242 S C 0.036 174.576 174.600 -0.100 0.000 1.333 242 S CA -0.102 57.975 58.200 -0.206 0.000 1.048 242 S CB -0.274 62.797 63.200 -0.215 0.000 0.900 242 S HN 0.811 nan 8.310 nan 0.000 0.505 243 F N -0.824 119.130 119.950 0.006 0.000 3.093 243 F HA -0.162 4.365 4.527 0.000 0.000 0.287 243 F C 0.230 176.023 175.800 -0.011 0.000 0.882 243 F CA -0.330 57.667 58.000 -0.006 0.000 1.063 243 F CB -1.846 37.145 39.000 -0.014 0.000 1.097 243 F HN 0.407 nan 8.300 nan 0.000 0.604 244 I N 1.992 122.601 120.570 0.065 0.000 2.664 244 I HA -0.033 4.138 4.170 0.000 0.000 0.284 244 I C 1.658 177.798 176.117 0.037 0.000 1.154 244 I CA 0.676 61.995 61.300 0.032 0.000 1.402 244 I CB 0.597 38.581 38.000 -0.026 0.000 1.395 244 I HN 0.412 nan 8.210 nan 0.000 0.545 245 R N 6.007 126.531 120.500 0.039 0.000 2.437 245 R HA 0.259 4.599 4.340 0.000 0.000 0.257 245 R C 0.153 176.456 176.300 0.006 0.000 0.927 245 R CA -0.289 55.833 56.100 0.037 0.000 1.078 245 R CB 0.620 30.953 30.300 0.055 0.000 1.161 245 R HN 0.595 nan 8.270 nan 0.000 0.529 246 K N -0.908 119.476 120.400 -0.026 0.000 2.685 246 K HA 0.255 4.576 4.320 0.000 0.000 0.290 246 K C -0.325 176.211 176.600 -0.105 0.000 1.018 246 K CA 0.051 56.306 56.287 -0.052 0.000 0.860 246 K CB 0.708 33.193 32.500 -0.025 0.000 1.498 246 K HN -0.143 nan 8.250 nan 0.000 0.390 247 A N 1.530 124.264 122.820 -0.143 0.000 1.948 247 A HA -0.135 4.185 4.320 0.000 0.000 0.220 247 A C 2.209 179.596 177.584 -0.330 0.000 1.177 247 A CA 3.065 54.942 52.037 -0.267 0.000 0.636 247 A CB -1.017 17.854 19.000 -0.215 0.000 0.815 247 A HN 1.005 nan 8.150 nan 0.000 0.449 248 A N 0.351 123.101 122.820 -0.116 0.000 1.873 248 A HA -0.264 4.057 4.320 0.000 0.000 0.218 248 A C 1.785 179.355 177.584 -0.024 0.000 1.193 248 A CA 2.019 54.052 52.037 -0.007 0.000 0.629 248 A CB -0.774 18.243 19.000 0.028 0.000 0.826 248 A HN 0.516 nan 8.150 nan 0.000 0.447 249 D N -0.164 120.213 120.400 -0.039 0.000 2.116 249 D HA -0.144 4.496 4.640 0.000 0.000 0.193 249 D C 2.063 178.341 176.300 -0.036 0.000 0.998 249 D CA 1.652 55.642 54.000 -0.017 0.000 0.836 249 D CB -0.793 40.003 40.800 -0.007 0.000 0.951 249 D HN 0.233 nan 8.370 nan 0.000 0.449 250 V N 0.884 120.728 119.914 -0.116 0.000 2.332 250 V HA -0.281 3.840 4.120 0.000 0.000 0.248 250 V C 2.127 178.194 176.094 -0.044 0.000 1.055 250 V CA 1.875 64.101 62.300 -0.122 0.000 1.038 250 V CB -0.750 30.935 31.823 -0.229 0.000 0.651 250 V HN 0.351 nan 8.190 nan 0.000 0.450 251 H N -0.625 118.439 119.070 -0.009 0.000 2.387 251 H HA -0.164 4.392 4.556 0.000 0.000 0.299 251 H C 2.472 177.801 175.328 0.002 0.000 1.090 251 H CA 1.409 57.454 56.048 -0.005 0.000 1.332 251 H CB 0.175 29.933 29.762 -0.006 0.000 1.386 251 H HN 0.483 nan 8.280 nan 0.000 0.516 252 E N 0.573 120.850 120.200 0.127 0.000 2.077 252 E HA -0.150 4.200 4.350 0.000 0.000 0.193 252 E C 2.168 178.803 176.600 0.058 0.000 0.989 252 E CA 1.072 57.518 56.400 0.077 0.000 0.800 252 E CB 0.190 29.924 29.700 0.056 0.000 0.746 252 E HN 0.205 nan 8.360 nan 0.000 0.452 253 V N 0.927 120.870 119.914 0.049 0.000 2.270 253 V HA -0.255 3.865 4.120 0.000 0.000 0.245 253 V C 2.553 178.669 176.094 0.037 0.000 1.043 253 V CA 2.162 64.483 62.300 0.034 0.000 1.014 253 V CB -0.586 31.250 31.823 0.020 0.000 0.645 253 V HN 0.272 nan 8.190 nan 0.000 0.447 254 R N 0.415 120.948 120.500 0.054 0.000 2.127 254 R HA -0.245 4.096 4.340 0.000 0.000 0.238 254 R C 2.294 178.620 176.300 0.043 0.000 1.134 254 R CA 2.106 58.239 56.100 0.054 0.000 0.975 254 R CB -0.279 30.074 30.300 0.088 0.000 0.865 254 R HN 0.508 nan 8.270 nan 0.000 0.447 255 K N 0.214 120.643 120.400 0.048 0.000 2.002 255 K HA -0.119 4.201 4.320 0.000 0.000 0.209 255 K C 1.935 178.551 176.600 0.027 0.000 1.048 255 K CA 1.615 57.922 56.287 0.033 0.000 0.930 255 K CB -0.029 32.493 32.500 0.035 0.000 0.714 255 K HN 0.112 nan 8.250 nan 0.000 0.438 256 I N 1.286 121.873 120.570 0.029 0.000 2.163 256 I HA -0.267 3.903 4.170 0.000 0.000 0.243 256 I C 2.253 178.381 176.117 0.019 0.000 1.085 256 I CA 1.137 62.452 61.300 0.026 0.000 1.347 256 I CB -1.157 36.859 38.000 0.027 0.000 1.044 256 I HN 0.222 nan 8.210 nan 0.000 0.408 257 L N 0.630 121.861 121.223 0.013 0.000 2.187 257 L HA -0.051 4.289 4.340 0.000 0.000 0.213 257 L C 1.657 178.532 176.870 0.008 0.000 1.100 257 L CA 1.488 56.331 54.840 0.005 0.000 0.765 257 L CB -1.388 40.672 42.059 0.002 0.000 0.904 257 L HN 0.496 nan 8.230 nan 0.000 0.437 258 G N -0.786 108.022 108.800 0.014 0.000 2.606 258 G HA2 -0.464 3.497 3.960 0.000 0.000 0.285 258 G HA3 -0.464 3.497 3.960 0.000 0.000 0.285 258 G C 0.835 175.741 174.900 0.011 0.000 1.311 258 G CA 0.622 45.730 45.100 0.013 0.000 0.922 258 G HN 0.302 nan 8.290 nan 0.000 0.559 259 E N -0.239 119.967 120.200 0.010 0.000 2.118 259 E HA -0.122 4.228 4.350 0.000 0.000 0.195 259 E C 2.412 179.017 176.600 0.009 0.000 0.992 259 E CA 2.347 58.753 56.400 0.010 0.000 0.804 259 E CB -0.211 29.495 29.700 0.009 0.000 0.741 259 E HN 0.573 nan 8.360 nan 0.000 0.458 260 K N -1.143 119.260 120.400 0.006 0.000 2.007 260 K HA -0.010 4.310 4.320 0.000 0.000 0.206 260 K C 1.878 178.478 176.600 0.000 0.000 1.047 260 K CA 1.183 57.472 56.287 0.003 0.000 0.937 260 K CB -0.418 32.082 32.500 -0.000 0.000 0.718 260 K HN 0.222 nan 8.250 nan 0.000 0.438 261 G N 1.165 109.964 108.800 -0.002 0.000 2.882 261 G HA2 -0.170 3.790 3.960 0.000 0.000 0.206 261 G HA3 -0.170 3.790 3.960 0.000 0.000 0.206 261 G C 1.027 175.931 174.900 0.006 0.000 1.155 261 G CA 0.068 45.165 45.100 -0.005 0.000 0.800 261 G HN 0.334 nan 8.290 nan 0.000 0.524 262 K N 0.765 121.172 120.400 0.012 0.000 2.127 262 K HA -0.222 4.098 4.320 0.000 0.000 0.212 262 K C 1.608 178.224 176.600 0.027 0.000 1.050 262 K CA 1.869 58.168 56.287 0.019 0.000 0.929 262 K CB -0.228 32.283 32.500 0.018 0.000 0.715 262 K HN 0.471 nan 8.250 nan 0.000 0.457 263 N N -0.016 118.701 118.700 0.027 0.000 2.270 263 N HA 0.149 4.889 4.740 0.000 0.000 0.198 263 N C -0.519 175.015 175.510 0.042 0.000 1.117 263 N CA -0.374 52.700 53.050 0.040 0.000 0.845 263 N CB 0.404 38.917 38.487 0.044 0.000 0.980 263 N HN 0.111 nan 8.380 nan 0.000 0.486 264 I N 1.996 122.582 120.570 0.026 0.000 2.452 264 I HA 0.034 4.204 4.170 0.000 0.000 0.287 264 I C 0.233 176.370 176.117 0.034 0.000 1.079 264 I CA -0.325 60.987 61.300 0.020 0.000 1.387 264 I CB 0.459 38.455 38.000 -0.007 0.000 1.404 264 I HN -0.129 nan 8.210 nan 0.000 0.522 265 K N 7.493 127.923 120.400 0.050 0.000 2.368 265 K HA 0.367 4.687 4.320 0.000 0.000 0.282 265 K C -0.304 176.330 176.600 0.056 0.000 1.035 265 K CA -0.025 56.297 56.287 0.058 0.000 0.973 265 K CB 0.829 33.373 32.500 0.074 0.000 0.957 265 K HN 0.524 nan 8.250 nan 0.000 0.474 266 I N 4.661 125.256 120.570 0.042 0.000 2.315 266 I HA 0.157 4.328 4.170 0.000 0.000 0.291 266 I C 0.030 176.167 176.117 0.033 0.000 1.006 266 I CA -0.698 60.627 61.300 0.041 0.000 1.265 266 I CB 0.840 38.851 38.000 0.019 0.000 1.387 266 I HN 0.186 nan 8.210 nan 0.000 0.475 267 I N 5.572 126.188 120.570 0.077 0.000 2.330 267 I HA 0.201 4.371 4.170 0.000 0.000 0.286 267 I C 0.365 176.467 176.117 -0.025 0.000 1.025 267 I CA -0.195 61.109 61.300 0.006 0.000 1.197 267 I CB 0.865 38.854 38.000 -0.018 0.000 1.358 267 I HN 0.449 nan 8.210 nan 0.000 0.467 268 S N 6.437 122.099 115.700 -0.064 0.000 2.531 268 S HA 0.264 4.734 4.470 0.000 0.000 0.279 268 S C 0.306 174.856 174.600 -0.084 0.000 1.305 268 S CA -0.456 57.703 58.200 -0.069 0.000 1.058 268 S CB 0.679 63.821 63.200 -0.096 0.000 0.899 268 S HN 0.368 nan 8.310 nan 0.000 0.493 269 K N 2.662 123.009 120.400 -0.089 0.000 2.211 269 K HA 0.374 4.694 4.320 0.000 0.000 0.275 269 K C -0.698 175.841 176.600 -0.101 0.000 1.024 269 K CA -0.516 55.696 56.287 -0.126 0.000 0.887 269 K CB 0.754 33.147 32.500 -0.178 0.000 1.084 269 K HN 0.405 nan 8.250 nan 0.000 0.463 270 I N 4.109 124.639 120.570 -0.067 0.000 2.297 270 I HA 0.088 4.258 4.170 0.000 0.000 0.291 270 I C 0.623 176.705 176.117 -0.059 0.000 1.033 270 I CA 0.254 61.539 61.300 -0.024 0.000 1.253 270 I CB 0.639 38.660 38.000 0.035 0.000 1.396 270 I HN 0.793 nan 8.210 nan 0.000 0.476 271 E N 4.512 124.687 120.200 -0.042 0.000 2.639 271 E HA 0.095 4.446 4.350 0.000 0.000 0.225 271 E C -0.016 176.642 176.600 0.096 0.000 0.921 271 E CA -0.206 56.181 56.400 -0.023 0.000 1.184 271 E CB 0.724 30.319 29.700 -0.176 0.000 1.160 271 E HN 0.662 nan 8.360 nan 0.000 0.547 272 N N 0.100 118.867 118.700 0.112 0.000 2.577 272 N HA 0.056 4.796 4.740 0.000 0.000 0.285 272 N C 0.502 176.070 175.510 0.095 0.000 1.309 272 N CA -0.539 52.589 53.050 0.130 0.000 0.798 272 N CB 1.200 39.786 38.487 0.165 0.000 1.463 272 N HN -0.153 nan 8.380 nan 0.000 0.518 273 H N -0.081 119.002 119.070 0.021 0.000 2.423 273 H HA -0.029 4.527 4.556 0.000 0.000 0.297 273 H C 1.136 176.472 175.328 0.012 0.000 1.075 273 H CA 1.677 57.728 56.048 0.005 0.000 1.342 273 H CB 0.389 30.148 29.762 -0.004 0.000 1.395 273 H HN 0.769 nan 8.280 nan 0.000 0.530 274 E N -0.360 119.959 120.200 0.199 0.000 2.072 274 E HA -0.098 4.253 4.350 0.000 0.000 0.191 274 E C 2.358 178.999 176.600 0.068 0.000 0.985 274 E CA 0.749 57.234 56.400 0.141 0.000 0.801 274 E CB -0.213 29.546 29.700 0.098 0.000 0.750 274 E HN 0.583 nan 8.360 nan 0.000 0.452 275 G N 0.468 109.303 108.800 0.059 0.000 2.442 275 G HA2 -0.236 3.724 3.960 0.000 0.000 0.219 275 G HA3 -0.236 3.724 3.960 0.000 0.000 0.219 275 G C 1.618 176.558 174.900 0.067 0.000 1.141 275 G CA 0.975 46.106 45.100 0.051 0.000 0.763 275 G HN 0.203 nan 8.290 nan 0.000 0.554 276 V N 0.514 120.426 119.914 -0.003 0.000 2.323 276 V HA -0.068 4.053 4.120 0.000 0.000 0.244 276 V C 2.792 178.865 176.094 -0.034 0.000 1.041 276 V CA 1.685 63.954 62.300 -0.050 0.000 1.025 276 V CB -0.423 31.272 31.823 -0.214 0.000 0.656 276 V HN 0.300 nan 8.190 nan 0.000 0.451 277 R N 0.686 121.139 120.500 -0.077 0.000 2.120 277 R HA -0.075 4.265 4.340 0.000 0.000 0.234 277 R C 1.628 177.948 176.300 0.034 0.000 1.123 277 R CA 1.301 57.389 56.100 -0.020 0.000 0.975 277 R CB 0.003 30.333 30.300 0.050 0.000 0.866 277 R HN 0.460 nan 8.270 nan 0.000 0.446 278 R N -0.756 119.771 120.500 0.046 0.000 2.633 278 R HA 0.066 4.406 4.340 0.000 0.000 0.348 278 R C 1.075 177.388 176.300 0.020 0.000 1.100 278 R CA -0.392 55.725 56.100 0.029 0.000 1.068 278 R CB -0.048 30.256 30.300 0.007 0.000 1.351 278 R HN 0.079 nan 8.270 nan 0.000 0.575 279 F N 2.683 122.595 119.950 -0.063 0.000 2.043 279 F HA -0.343 4.184 4.527 0.000 0.000 0.297 279 F C 1.676 177.438 175.800 -0.063 0.000 1.118 279 F CA 2.049 60.007 58.000 -0.070 0.000 1.202 279 F CB 0.061 39.012 39.000 -0.082 0.000 0.965 279 F HN 0.044 nan 8.300 nan 0.000 0.482 280 D N 0.289 120.659 120.400 -0.049 0.000 2.133 280 D HA -0.273 4.367 4.640 0.000 0.000 0.192 280 D C 2.138 178.303 176.300 -0.224 0.000 1.001 280 D CA 2.082 56.001 54.000 -0.136 0.000 0.844 280 D CB -0.701 40.105 40.800 0.010 0.000 0.944 280 D HN 0.714 nan 8.370 nan 0.000 0.447 281 E N 0.686 120.791 120.200 -0.159 0.000 2.106 281 E HA -0.129 4.221 4.350 0.000 0.000 0.192 281 E C 2.403 178.869 176.600 -0.223 0.000 0.984 281 E CA 0.680 56.992 56.400 -0.146 0.000 0.806 281 E CB -0.493 29.152 29.700 -0.092 0.000 0.750 281 E HN 0.299 nan 8.360 nan 0.000 0.458 282 I N 1.186 121.581 120.570 -0.292 0.000 2.226 282 I HA -0.243 3.927 4.170 0.000 0.000 0.245 282 I C 2.697 178.568 176.117 -0.410 0.000 1.100 282 I CA 0.885 61.987 61.300 -0.331 0.000 1.374 282 I CB -0.298 37.508 38.000 -0.322 0.000 1.057 282 I HN 0.203 nan 8.210 nan 0.000 0.413 283 L N 0.850 121.699 121.223 -0.625 0.000 1.989 283 L HA -0.266 4.074 4.340 0.000 0.000 0.211 283 L C 2.692 179.400 176.870 -0.270 0.000 1.071 283 L CA 1.899 56.410 54.840 -0.549 0.000 0.749 283 L CB -0.300 41.361 42.059 -0.662 0.000 0.890 283 L HN 0.242 nan 8.230 nan 0.000 0.431 284 E N 0.431 120.505 120.200 -0.210 0.000 2.085 284 E HA -0.235 4.115 4.350 0.000 0.000 0.194 284 E C 1.862 178.411 176.600 -0.086 0.000 0.994 284 E CA 1.812 58.146 56.400 -0.111 0.000 0.801 284 E CB -0.261 29.395 29.700 -0.075 0.000 0.743 284 E HN 0.496 nan 8.360 nan 0.000 0.453 285 A N -0.012 122.730 122.820 -0.129 0.000 2.067 285 A HA 0.032 4.352 4.320 0.000 0.000 0.219 285 A C 1.384 178.908 177.584 -0.099 0.000 1.158 285 A CA 0.999 52.962 52.037 -0.123 0.000 0.661 285 A CB -0.190 18.600 19.000 -0.350 0.000 0.801 285 A HN 0.249 nan 8.150 nan 0.000 0.452 286 S N -0.532 115.093 115.700 -0.125 0.000 2.722 286 S HA 0.325 4.795 4.470 0.000 0.000 0.292 286 S C 0.120 174.684 174.600 -0.061 0.000 1.135 286 S CA -0.535 57.609 58.200 -0.094 0.000 1.003 286 S CB 1.088 64.210 63.200 -0.130 0.000 1.067 286 S HN 0.402 nan 8.310 nan 0.000 0.546 287 D N 0.202 120.577 120.400 -0.041 0.000 2.301 287 D HA 0.231 4.872 4.640 0.000 0.000 0.206 287 D C 0.779 177.039 176.300 -0.068 0.000 0.979 287 D CA 0.551 54.535 54.000 -0.026 0.000 0.874 287 D CB 0.437 41.239 40.800 0.003 0.000 0.968 287 D HN 0.614 nan 8.370 nan 0.000 0.510 288 G N -0.019 108.729 108.800 -0.086 0.000 2.600 288 G HA2 0.511 4.472 3.960 0.000 0.000 0.293 288 G HA3 0.511 4.472 3.960 0.000 0.000 0.293 288 G C -1.633 173.201 174.900 -0.109 0.000 1.408 288 G CA -0.473 44.554 45.100 -0.122 0.000 0.782 288 G HN -0.103 nan 8.290 nan 0.000 0.482 289 I N 0.323 120.830 120.570 -0.105 0.000 2.828 289 I HA 0.576 4.746 4.170 0.000 0.000 0.302 289 I C -0.459 175.575 176.117 -0.138 0.000 1.101 289 I CA -0.825 60.431 61.300 -0.072 0.000 1.031 289 I CB 2.105 40.155 38.000 0.084 0.000 1.231 289 I HN 0.594 nan 8.210 nan 0.000 0.427 290 M N 4.663 124.171 119.600 -0.154 0.000 2.259 290 M HA 0.449 4.929 4.480 0.000 0.000 0.304 290 M C -1.562 174.657 176.300 -0.136 0.000 1.019 290 M CA -0.706 54.467 55.300 -0.211 0.000 0.922 290 M CB 1.853 34.249 32.600 -0.341 0.000 1.600 290 M HN 0.258 nan 8.290 nan 0.000 0.433 291 V N 5.116 124.957 119.914 -0.122 0.000 2.313 291 V HA 0.239 4.359 4.120 0.000 0.000 0.252 291 V C 0.762 176.797 176.094 -0.099 0.000 1.112 291 V CA -0.282 61.958 62.300 -0.099 0.000 0.984 291 V CB 0.113 31.879 31.823 -0.095 0.000 1.157 291 V HN 0.886 nan 8.190 nan 0.000 0.493 292 A N 5.030 127.787 122.820 -0.105 0.000 3.048 292 A HA 0.233 4.553 4.320 0.000 0.000 0.264 292 A C 1.678 179.220 177.584 -0.069 0.000 1.796 292 A CA -0.262 51.714 52.037 -0.103 0.000 1.445 292 A CB -0.598 18.310 19.000 -0.153 0.000 1.074 292 A HN 0.838 nan 8.150 nan 0.000 0.621 293 R N 0.756 121.225 120.500 -0.052 0.000 2.185 293 R HA -0.210 4.130 4.340 0.000 0.000 0.247 293 R C 2.248 178.538 176.300 -0.017 0.000 1.159 293 R CA 1.925 58.006 56.100 -0.031 0.000 0.988 293 R CB -0.296 29.992 30.300 -0.020 0.000 0.871 293 R HN 0.711 nan 8.270 nan 0.000 0.458 294 G N 0.638 109.430 108.800 -0.013 0.000 2.604 294 G HA2 -0.285 3.676 3.960 0.000 0.000 0.216 294 G HA3 -0.285 3.676 3.960 0.000 0.000 0.216 294 G C 0.938 175.848 174.900 0.017 0.000 1.265 294 G CA 1.182 46.286 45.100 0.007 0.000 0.804 294 G HN 0.254 nan 8.290 nan 0.000 0.579 295 D N 0.104 120.519 120.400 0.025 0.000 2.144 295 D HA -0.081 4.559 4.640 0.000 0.000 0.200 295 D C 2.482 178.809 176.300 0.045 0.000 0.978 295 D CA 0.644 54.690 54.000 0.076 0.000 0.833 295 D CB -0.092 40.811 40.800 0.172 0.000 0.961 295 D HN 0.157 nan 8.370 nan 0.000 0.470 296 L N 1.259 122.488 121.223 0.010 0.000 2.079 296 L HA -0.069 4.271 4.340 0.000 0.000 0.210 296 L C 2.202 179.063 176.870 -0.015 0.000 1.081 296 L CA 1.819 56.656 54.840 -0.004 0.000 0.752 296 L CB -0.821 41.219 42.059 -0.032 0.000 0.896 296 L HN -0.003 nan 8.230 nan 0.000 0.433 297 G N -1.312 107.478 108.800 -0.017 0.000 2.776 297 G HA2 -0.077 3.883 3.960 0.000 0.000 0.209 297 G HA3 -0.077 3.883 3.960 0.000 0.000 0.209 297 G C 1.376 176.240 174.900 -0.059 0.000 1.145 297 G CA 0.846 45.930 45.100 -0.026 0.000 0.791 297 G HN 0.518 nan 8.290 nan 0.000 0.530 298 I N -0.966 119.565 120.570 -0.066 0.000 3.883 298 I HA 0.138 4.309 4.170 0.000 0.000 0.305 298 I C 2.009 178.032 176.117 -0.158 0.000 1.247 298 I CA 0.056 61.265 61.300 -0.151 0.000 1.350 298 I CB 0.225 38.163 38.000 -0.103 0.000 1.194 298 I HN -0.068 nan 8.210 nan 0.000 0.441 299 E N 1.921 122.091 120.200 -0.050 0.000 2.208 299 E HA 0.070 4.420 4.350 0.000 0.000 0.193 299 E C 0.733 177.336 176.600 0.004 0.000 0.988 299 E CA 0.788 57.183 56.400 -0.009 0.000 0.828 299 E CB 0.324 30.057 29.700 0.055 0.000 0.763 299 E HN 0.554 nan 8.360 nan 0.000 0.478 300 I N -2.926 117.641 120.570 -0.005 0.000 3.042 300 I HA 0.491 4.661 4.170 0.000 0.000 0.310 300 I C -2.759 173.345 176.117 -0.022 0.000 1.117 300 I CA -3.088 58.224 61.300 0.021 0.000 1.003 300 I CB 2.206 40.231 38.000 0.043 0.000 1.228 300 I HN -0.378 nan 8.210 nan 0.000 0.443 301 P HA 0.044 nan 4.420 nan 0.000 0.262 301 P C 0.500 177.799 177.300 -0.002 0.000 1.182 301 P CA 0.313 63.406 63.100 -0.012 0.000 0.761 301 P CB 1.030 32.736 31.700 0.010 0.000 0.795 302 A N 5.292 128.107 122.820 -0.008 0.000 1.903 302 A HA -0.243 4.077 4.320 0.000 0.000 0.219 302 A C 1.785 179.405 177.584 0.060 0.000 1.191 302 A CA 1.836 53.881 52.037 0.012 0.000 0.638 302 A CB -1.008 17.994 19.000 0.004 0.000 0.823 302 A HN 0.667 nan 8.150 nan 0.000 0.451 303 E N 0.333 120.575 120.200 0.071 0.000 2.510 303 E HA -0.164 4.187 4.350 0.000 0.000 0.202 303 E C 1.064 177.812 176.600 0.248 0.000 1.072 303 E CA 1.343 57.825 56.400 0.137 0.000 0.883 303 E CB -0.244 29.514 29.700 0.096 0.000 0.818 303 E HN 0.714 nan 8.360 nan 0.000 0.548 304 K N 0.135 120.606 120.400 0.118 0.000 2.380 304 K HA 0.156 4.476 4.320 0.000 0.000 0.198 304 K C 1.895 178.428 176.600 -0.110 0.000 1.070 304 K CA 0.260 56.534 56.287 -0.021 0.000 1.040 304 K CB 0.715 33.179 32.500 -0.059 0.000 0.903 304 K HN -0.092 nan 8.250 nan 0.000 0.549 305 V N 2.239 122.161 119.914 0.014 0.000 2.380 305 V HA -0.300 3.820 4.120 0.000 0.000 0.251 305 V C 2.127 178.205 176.094 -0.028 0.000 1.063 305 V CA 2.103 64.393 62.300 -0.017 0.000 1.055 305 V CB -0.745 31.092 31.823 0.024 0.000 0.657 305 V HN 0.353 nan 8.190 nan 0.000 0.455 306 F N 0.239 120.155 119.950 -0.057 0.000 2.171 306 F HA -0.127 4.400 4.527 0.000 0.000 0.300 306 F C 1.953 177.709 175.800 -0.073 0.000 1.090 306 F CA 1.407 59.371 58.000 -0.060 0.000 1.293 306 F CB -1.209 37.763 39.000 -0.047 0.000 1.013 306 F HN 0.087 nan 8.300 nan 0.000 0.486 307 L N 1.051 121.591 121.223 -1.139 0.000 1.989 307 L HA -0.200 4.140 4.340 0.000 0.000 0.211 307 L C 3.063 179.679 176.870 -0.423 0.000 1.071 307 L CA 1.520 55.845 54.840 -0.859 0.000 0.749 307 L CB -1.409 40.190 42.059 -0.768 0.000 0.890 307 L HN 0.357 nan 8.230 nan 0.000 0.431 308 A N -0.696 121.922 122.820 -0.337 0.000 1.908 308 A HA -0.299 4.022 4.320 0.000 0.000 0.218 308 A C 2.272 179.707 177.584 -0.249 0.000 1.181 308 A CA 2.005 53.878 52.037 -0.273 0.000 0.627 308 A CB -0.664 18.203 19.000 -0.222 0.000 0.818 308 A HN 0.526 nan 8.150 nan 0.000 0.445 309 Q N -0.269 119.422 119.800 -0.182 0.000 2.002 309 Q HA -0.256 4.084 4.340 0.000 0.000 0.204 309 Q C 2.042 177.955 176.000 -0.145 0.000 0.988 309 Q CA 2.216 57.938 55.803 -0.134 0.000 0.843 309 Q CB -0.164 28.540 28.738 -0.057 0.000 0.908 309 Q HN 0.668 nan 8.270 nan 0.000 0.420 310 K N -0.144 120.183 120.400 -0.122 0.000 2.097 310 K HA -0.155 4.165 4.320 0.000 0.000 0.206 310 K C 2.118 178.622 176.600 -0.159 0.000 1.049 310 K CA 1.468 57.692 56.287 -0.105 0.000 0.933 310 K CB -0.196 32.268 32.500 -0.060 0.000 0.717 310 K HN 0.313 nan 8.250 nan 0.000 0.442 311 M N 0.967 120.434 119.600 -0.221 0.000 2.099 311 M HA -0.119 4.361 4.480 0.000 0.000 0.262 311 M C 1.906 177.986 176.300 -0.367 0.000 1.067 311 M CA 1.740 56.880 55.300 -0.266 0.000 1.124 311 M CB -0.262 32.161 32.600 -0.294 0.000 1.353 311 M HN 0.129 nan 8.290 nan 0.000 0.410 312 I N 0.126 120.420 120.570 -0.460 0.000 2.252 312 I HA -0.322 3.849 4.170 0.000 0.000 0.245 312 I C 2.370 178.304 176.117 -0.305 0.000 1.102 312 I CA 1.058 61.980 61.300 -0.630 0.000 1.385 312 I CB -0.357 37.317 38.000 -0.543 0.000 1.064 312 I HN 0.259 nan 8.210 nan 0.000 0.414 313 I N 0.615 121.069 120.570 -0.194 0.000 2.226 313 I HA -0.204 3.967 4.170 0.000 0.000 0.245 313 I C 2.709 178.770 176.117 -0.093 0.000 1.100 313 I CA 1.564 62.797 61.300 -0.111 0.000 1.374 313 I CB -1.021 36.930 38.000 -0.083 0.000 1.057 313 I HN 0.270 nan 8.210 nan 0.000 0.413 314 G N 0.817 109.551 108.800 -0.110 0.000 2.459 314 G HA2 -0.277 3.684 3.960 0.000 0.000 0.217 314 G HA3 -0.277 3.684 3.960 0.000 0.000 0.217 314 G C 1.796 176.656 174.900 -0.068 0.000 1.183 314 G CA 0.697 45.747 45.100 -0.084 0.000 0.776 314 G HN 0.272 nan 8.290 nan 0.000 0.552 315 R N -0.953 119.493 120.500 -0.089 0.000 2.148 315 R HA 0.018 4.359 4.340 0.000 0.000 0.227 315 R C 2.622 178.958 176.300 0.060 0.000 1.103 315 R CA 1.031 57.127 56.100 -0.008 0.000 0.983 315 R CB -0.477 29.828 30.300 0.008 0.000 0.874 315 R HN 0.411 nan 8.270 nan 0.000 0.451 316 C N -0.114 119.214 119.300 0.047 0.000 2.476 316 C HA 0.005 4.465 4.460 0.000 0.000 0.278 316 C C 2.087 177.077 174.990 -0.000 0.000 1.274 316 C CA 0.560 59.613 59.018 0.058 0.000 1.713 316 C CB -1.016 26.750 27.740 0.042 0.000 2.039 316 C HN 0.596 nan 8.230 nan 0.000 0.484 317 N N 0.244 118.930 118.700 -0.024 0.000 2.094 317 N HA -0.203 4.537 4.740 0.000 0.000 0.191 317 N C 2.097 177.573 175.510 -0.057 0.000 1.023 317 N CA 0.959 53.985 53.050 -0.040 0.000 0.857 317 N CB -0.254 38.210 38.487 -0.039 0.000 1.013 317 N HN 0.490 nan 8.380 nan 0.000 0.426 318 R N 1.186 121.662 120.500 -0.039 0.000 2.081 318 R HA -0.045 4.295 4.340 0.000 0.000 0.235 318 R C 1.825 178.104 176.300 -0.034 0.000 1.131 318 R CA 1.362 57.438 56.100 -0.040 0.000 0.960 318 R CB -0.143 30.145 30.300 -0.019 0.000 0.856 318 R HN 0.161 nan 8.270 nan 0.000 0.436 319 A N -0.375 122.439 122.820 -0.010 0.000 2.167 319 A HA 0.156 4.476 4.320 0.000 0.000 0.214 319 A C 1.406 178.985 177.584 -0.009 0.000 1.151 319 A CA 0.954 52.989 52.037 -0.003 0.000 0.735 319 A CB -0.188 18.820 19.000 0.015 0.000 0.802 319 A HN 0.593 nan 8.150 nan 0.000 0.467 320 G N -0.826 107.959 108.800 -0.025 0.000 2.143 320 G HA2 -0.244 3.716 3.960 0.000 0.000 0.248 320 G HA3 -0.244 3.716 3.960 0.000 0.000 0.248 320 G C 0.094 175.024 174.900 0.050 0.000 0.991 320 G CA 0.546 45.643 45.100 -0.004 0.000 0.689 320 G HN 0.522 nan 8.290 nan 0.000 0.522 321 K N 0.620 121.021 120.400 0.003 0.000 2.159 321 K HA 0.426 4.747 4.320 0.000 0.000 0.266 321 K C -2.623 173.897 176.600 -0.133 0.000 0.975 321 K CA -1.981 54.281 56.287 -0.042 0.000 0.865 321 K CB 1.865 34.341 32.500 -0.039 0.000 1.087 321 K HN -0.040 nan 8.250 nan 0.000 0.446 322 P HA -0.023 nan 4.420 nan 0.000 0.265 322 P C -0.846 176.327 177.300 -0.212 0.000 1.193 322 P CA -0.113 62.760 63.100 -0.378 0.000 0.765 322 P CB 0.619 31.937 31.700 -0.636 0.000 0.823 323 V N 5.417 125.232 119.914 -0.165 0.000 2.735 323 V HA 0.533 4.653 4.120 0.000 0.000 0.310 323 V C -0.748 175.265 176.094 -0.135 0.000 1.061 323 V CA -0.853 61.373 62.300 -0.123 0.000 0.913 323 V CB 1.523 33.301 31.823 -0.075 0.000 1.005 323 V HN 0.298 nan 8.190 nan 0.000 0.428 324 I N 5.506 125.982 120.570 -0.157 0.000 2.474 324 I HA 0.462 4.633 4.170 0.000 0.000 0.294 324 I C -0.468 175.572 176.117 -0.128 0.000 1.005 324 I CA -0.479 60.725 61.300 -0.160 0.000 1.113 324 I CB 1.797 39.642 38.000 -0.258 0.000 1.289 324 I HN 0.594 nan 8.210 nan 0.000 0.436 325 C N 6.022 125.268 119.300 -0.090 0.000 2.295 325 C HA 0.888 5.349 4.460 0.000 0.000 0.331 325 C C 0.310 175.264 174.990 -0.060 0.000 1.280 325 C CA -0.004 58.974 59.018 -0.068 0.000 1.746 325 C CB -0.381 27.334 27.740 -0.043 0.000 2.328 325 C HN 0.889 nan 8.230 nan 0.000 0.521 326 A N 4.347 127.131 122.820 -0.060 0.000 2.515 326 A HA 0.926 5.246 4.320 0.000 0.000 0.296 326 A C -0.179 177.392 177.584 -0.022 0.000 1.094 326 A CA -0.183 51.828 52.037 -0.042 0.000 0.718 326 A CB 1.094 20.055 19.000 -0.064 0.000 1.307 326 A HN 1.354 nan 8.150 nan 0.000 0.408 327 T N 1.212 115.765 114.554 -0.001 0.000 0.571 327 T HA -0.092 4.258 4.350 0.000 0.000 0.771 327 T C 0.060 174.768 174.700 0.014 0.000 0.992 327 T CA 0.858 62.964 62.100 0.010 0.000 4.060 327 T CB -1.156 67.714 68.868 0.004 0.000 2.294 327 T HN 1.534 nan 8.240 nan 0.000 0.396 328 Q N 0.374 120.187 119.800 0.023 0.000 2.461 328 Q HA -0.285 4.055 4.340 0.000 0.000 0.264 328 Q C 1.520 177.532 176.000 0.019 0.000 1.085 328 Q CA 1.479 57.296 55.803 0.023 0.000 1.006 328 Q CB -1.081 27.670 28.738 0.022 0.000 1.437 328 Q HN 0.820 nan 8.270 nan 0.000 0.514 329 M N -0.933 118.678 119.600 0.018 0.000 2.132 329 M HA -0.126 4.354 4.480 0.000 0.000 0.263 329 M C 0.833 177.144 176.300 0.017 0.000 1.065 329 M CA 1.253 56.562 55.300 0.015 0.000 1.122 329 M CB 0.091 32.699 32.600 0.015 0.000 1.365 329 M HN 0.145 nan 8.290 nan 0.000 0.411 330 L N -0.306 120.931 121.223 0.024 0.000 3.218 330 L HA 0.195 4.535 4.340 0.000 0.000 0.279 330 L C 1.260 178.148 176.870 0.030 0.000 1.287 330 L CA 0.280 55.135 54.840 0.024 0.000 1.024 330 L CB -0.233 41.844 42.059 0.030 0.000 1.409 330 L HN 0.059 nan 8.230 nan 0.000 0.580 331 E N 0.937 121.155 120.200 0.030 0.000 2.095 331 E HA -0.325 4.025 4.350 0.000 0.000 0.212 331 E C 2.246 178.870 176.600 0.039 0.000 1.044 331 E CA 2.317 58.738 56.400 0.035 0.000 0.857 331 E CB 0.048 29.766 29.700 0.030 0.000 0.764 331 E HN 0.491 nan 8.360 nan 0.000 0.462 332 S N -0.467 115.251 115.700 0.030 0.000 2.420 332 S HA -0.216 4.254 4.470 0.000 0.000 0.237 332 S C 1.888 176.514 174.600 0.043 0.000 1.023 332 S CA 1.584 59.802 58.200 0.031 0.000 0.991 332 S CB -0.466 62.743 63.200 0.015 0.000 0.792 332 S HN 0.369 nan 8.310 nan 0.000 0.488 333 M N 0.534 120.159 119.600 0.042 0.000 2.700 333 M HA 0.179 4.659 4.480 0.000 0.000 0.249 333 M C 1.377 177.777 176.300 0.167 0.000 1.082 333 M CA 0.604 55.941 55.300 0.062 0.000 1.077 333 M CB -0.591 32.032 32.600 0.038 0.000 1.477 333 M HN 0.378 nan 8.290 nan 0.000 0.529 334 I N -0.051 120.596 120.570 0.128 0.000 2.676 334 I HA -0.215 3.955 4.170 0.000 0.000 0.259 334 I C 2.078 178.294 176.117 0.165 0.000 1.194 334 I CA 1.001 62.377 61.300 0.127 0.000 1.473 334 I CB -0.063 37.981 38.000 0.074 0.000 1.096 334 I HN 0.211 nan 8.210 nan 0.000 0.443 335 K N 0.086 120.600 120.400 0.190 0.000 2.502 335 K HA 0.300 4.620 4.320 0.000 0.000 0.211 335 K C 0.042 176.830 176.600 0.312 0.000 1.259 335 K CA 0.272 56.687 56.287 0.213 0.000 0.983 335 K CB 0.962 33.528 32.500 0.110 0.000 1.054 335 K HN 0.154 nan 8.250 nan 0.000 0.572 336 K N 0.990 121.488 120.400 0.163 0.000 2.328 336 K HA 0.273 4.593 4.320 0.000 0.000 0.246 336 K C -2.135 174.132 176.600 -0.556 0.000 0.955 336 K CA -1.885 54.353 56.287 -0.082 0.000 0.817 336 K CB 2.263 34.727 32.500 -0.059 0.000 1.208 336 K HN -0.285 nan 8.250 nan 0.000 0.432 337 P HA -0.048 nan 4.420 nan 0.000 0.236 337 P C -0.469 176.602 177.300 -0.382 0.000 1.177 337 P CA 0.718 63.247 63.100 -0.951 0.000 0.773 337 P CB 0.609 31.881 31.700 -0.714 0.000 0.878 338 R N 0.713 121.068 120.500 -0.243 0.000 2.686 338 R HA 0.476 4.816 4.340 0.000 0.000 0.286 338 R C -2.569 173.681 176.300 -0.084 0.000 0.969 338 R CA -2.220 53.804 56.100 -0.126 0.000 0.898 338 R CB 1.814 32.059 30.300 -0.091 0.000 1.183 338 R HN 0.059 nan 8.270 nan 0.000 0.456 339 P HA 0.086 nan 4.420 nan 0.000 0.278 339 P C -0.178 177.110 177.300 -0.021 0.000 1.258 339 P CA -0.303 62.781 63.100 -0.026 0.000 0.811 339 P CB 0.762 32.454 31.700 -0.013 0.000 1.063 340 T N -0.927 113.620 114.554 -0.012 0.000 2.828 340 T HA 0.190 4.540 4.350 0.000 0.000 0.290 340 T C 1.529 176.223 174.700 -0.010 0.000 1.019 340 T CA -0.616 61.477 62.100 -0.011 0.000 1.031 340 T CB 0.450 69.314 68.868 -0.006 0.000 1.001 340 T HN 0.175 nan 8.240 nan 0.000 0.531 341 R N 1.359 121.853 120.500 -0.011 0.000 2.117 341 R HA -0.074 4.266 4.340 0.000 0.000 0.243 341 R C 2.640 178.933 176.300 -0.012 0.000 1.143 341 R CA 1.704 57.797 56.100 -0.012 0.000 0.968 341 R CB -1.827 28.465 30.300 -0.013 0.000 0.863 341 R HN 0.879 nan 8.270 nan 0.000 0.444 342 A N 1.403 124.215 122.820 -0.012 0.000 1.930 342 A HA -0.153 4.167 4.320 0.000 0.000 0.217 342 A C 2.016 179.594 177.584 -0.010 0.000 1.175 342 A CA 1.317 53.345 52.037 -0.014 0.000 0.627 342 A CB -0.276 18.715 19.000 -0.015 0.000 0.815 342 A HN 0.399 nan 8.150 nan 0.000 0.443 343 E N -0.503 119.694 120.200 -0.005 0.000 2.106 343 E HA -0.089 4.261 4.350 0.000 0.000 0.192 343 E C 2.115 178.715 176.600 -0.000 0.000 0.984 343 E CA 0.685 57.084 56.400 -0.001 0.000 0.806 343 E CB -0.351 29.350 29.700 0.003 0.000 0.750 343 E HN 0.597 nan 8.360 nan 0.000 0.458 344 G N 1.702 110.500 108.800 -0.003 0.000 2.421 344 G HA2 -0.327 3.633 3.960 0.000 0.000 0.216 344 G HA3 -0.327 3.633 3.960 0.000 0.000 0.216 344 G C 1.785 176.684 174.900 -0.003 0.000 1.171 344 G CA 1.251 46.350 45.100 -0.002 0.000 0.775 344 G HN 0.396 nan 8.290 nan 0.000 0.543 345 S N 0.565 116.261 115.700 -0.007 0.000 2.402 345 S HA -0.124 4.346 4.470 0.000 0.000 0.229 345 S C 1.883 176.480 174.600 -0.006 0.000 1.021 345 S CA 1.765 59.960 58.200 -0.008 0.000 0.974 345 S CB -0.298 62.893 63.200 -0.015 0.000 0.800 345 S HN 0.329 nan 8.310 nan 0.000 0.484 346 D N 1.487 121.884 120.400 -0.006 0.000 2.104 346 D HA -0.112 4.528 4.640 0.000 0.000 0.194 346 D C 1.847 178.148 176.300 0.002 0.000 0.994 346 D CA 1.609 55.608 54.000 -0.002 0.000 0.830 346 D CB -0.427 40.373 40.800 -0.001 0.000 0.959 346 D HN 0.308 nan 8.370 nan 0.000 0.452 347 V N 0.926 120.843 119.914 0.004 0.000 2.261 347 V HA -0.233 3.888 4.120 0.000 0.000 0.246 347 V C 2.659 178.758 176.094 0.008 0.000 1.047 347 V CA 1.911 64.216 62.300 0.007 0.000 1.015 347 V CB -1.202 30.627 31.823 0.011 0.000 0.642 347 V HN 0.352 nan 8.190 nan 0.000 0.446 348 A N 0.594 123.418 122.820 0.007 0.000 1.884 348 A HA -0.307 4.014 4.320 0.000 0.000 0.219 348 A C 2.091 179.683 177.584 0.014 0.000 1.197 348 A CA 2.413 54.456 52.037 0.009 0.000 0.637 348 A CB -0.840 18.164 19.000 0.007 0.000 0.827 348 A HN 0.611 nan 8.150 nan 0.000 0.450 349 N N 0.082 118.788 118.700 0.011 0.000 2.223 349 N HA -0.100 4.640 4.740 0.000 0.000 0.185 349 N C 1.899 177.417 175.510 0.014 0.000 1.016 349 N CA 1.419 54.478 53.050 0.014 0.000 0.863 349 N CB -0.503 37.989 38.487 0.009 0.000 0.983 349 N HN 0.509 nan 8.380 nan 0.000 0.429 350 A N 0.806 123.631 122.820 0.008 0.000 1.902 350 A HA -0.076 4.244 4.320 0.000 0.000 0.217 350 A C 2.528 180.115 177.584 0.004 0.000 1.181 350 A CA 1.218 53.257 52.037 0.002 0.000 0.623 350 A CB -0.688 18.310 19.000 -0.003 0.000 0.818 350 A HN 0.100 nan 8.150 nan 0.000 0.443 351 V N -0.297 119.623 119.914 0.010 0.000 2.307 351 V HA -0.203 3.918 4.120 0.000 0.000 0.245 351 V C 2.462 178.567 176.094 0.019 0.000 1.045 351 V CA 1.688 63.997 62.300 0.016 0.000 1.024 351 V CB -0.757 31.078 31.823 0.020 0.000 0.651 351 V HN 0.462 nan 8.190 nan 0.000 0.449 352 L N 0.170 121.407 121.223 0.024 0.000 2.083 352 L HA -0.164 4.177 4.340 0.000 0.000 0.209 352 L C 2.121 179.008 176.870 0.028 0.000 1.083 352 L CA 1.795 56.655 54.840 0.034 0.000 0.752 352 L CB -1.282 40.805 42.059 0.047 0.000 0.899 352 L HN 0.348 nan 8.230 nan 0.000 0.433 353 D N -0.542 119.868 120.400 0.017 0.000 2.178 353 D HA -0.033 4.608 4.640 0.000 0.000 0.201 353 D C 1.780 178.078 176.300 -0.004 0.000 0.980 353 D CA 1.414 55.417 54.000 0.006 0.000 0.842 353 D CB -0.008 40.790 40.800 -0.004 0.000 0.948 353 D HN 0.433 nan 8.370 nan 0.000 0.472 354 G N -0.840 107.958 108.800 -0.002 0.000 2.183 354 G HA2 -0.080 3.880 3.960 0.000 0.000 0.168 354 G HA3 -0.080 3.880 3.960 0.000 0.000 0.168 354 G C 0.395 175.288 174.900 -0.013 0.000 1.008 354 G CA 0.096 45.193 45.100 -0.005 0.000 0.677 354 G HN 0.554 nan 8.290 nan 0.000 0.498 355 A N 0.567 123.376 122.820 -0.018 0.000 2.546 355 A HA 0.455 4.775 4.320 0.000 0.000 0.243 355 A C 1.284 178.855 177.584 -0.021 0.000 1.063 355 A CA 1.045 53.063 52.037 -0.031 0.000 0.757 355 A CB 0.230 19.211 19.000 -0.032 0.000 0.991 355 A HN 0.263 nan 8.150 nan 0.000 0.503 356 D N 0.718 121.093 120.400 -0.041 0.000 2.149 356 D HA -0.021 4.620 4.640 0.000 0.000 0.201 356 D C 0.134 176.426 176.300 -0.014 0.000 0.972 356 D CA 1.319 55.300 54.000 -0.031 0.000 0.835 356 D CB 0.098 40.841 40.800 -0.095 0.000 0.966 356 D HN 0.548 nan 8.370 nan 0.000 0.476 357 C N 0.645 119.924 119.300 -0.036 0.000 2.797 357 C HA 0.580 5.040 4.460 0.000 0.000 0.306 357 C C -0.018 174.957 174.990 -0.025 0.000 1.207 357 C CA -1.104 57.903 59.018 -0.017 0.000 1.507 357 C CB 1.820 29.545 27.740 -0.026 0.000 2.028 357 C HN 0.153 nan 8.230 nan 0.000 0.475 358 I N 0.437 121.006 120.570 -0.002 0.000 2.750 358 I HA 0.806 4.976 4.170 0.000 0.000 0.308 358 I C -0.686 175.436 176.117 0.008 0.000 1.016 358 I CA -0.787 60.511 61.300 -0.003 0.000 1.098 358 I CB 1.694 39.701 38.000 0.010 0.000 1.279 358 I HN 0.693 nan 8.210 nan 0.000 0.454 359 M N 4.252 123.856 119.600 0.008 0.000 2.591 359 M HA 0.638 5.118 4.480 0.000 0.000 0.306 359 M C -2.056 174.266 176.300 0.036 0.000 1.190 359 M CA -0.702 54.614 55.300 0.027 0.000 0.889 359 M CB 2.732 35.343 32.600 0.019 0.000 1.728 359 M HN 0.631 nan 8.290 nan 0.000 0.458 360 L N 2.335 123.588 121.223 0.051 0.000 2.386 360 L HA 0.715 5.055 4.340 0.000 0.000 0.271 360 L C -1.008 175.900 176.870 0.063 0.000 0.993 360 L CA -0.572 54.300 54.840 0.053 0.000 0.819 360 L CB 2.342 44.434 42.059 0.055 0.000 1.294 360 L HN 0.847 nan 8.230 nan 0.000 0.414 361 S N 0.594 116.330 115.700 0.060 0.000 2.614 361 S HA 0.694 5.164 4.470 0.000 0.000 0.259 361 S C 0.041 174.674 174.600 0.057 0.000 1.118 361 S CA 0.009 58.250 58.200 0.067 0.000 1.065 361 S CB 1.566 64.811 63.200 0.076 0.000 1.121 361 S HN 1.127 nan 8.310 nan 0.000 0.458 362 G N 3.671 112.502 108.800 0.053 0.000 2.493 362 G HA2 -0.274 3.686 3.960 0.000 0.000 0.206 362 G HA3 -0.274 3.686 3.960 0.000 0.000 0.206 362 G C 0.639 175.568 174.900 0.047 0.000 1.109 362 G CA 0.369 45.494 45.100 0.042 0.000 0.689 362 G HN 0.643 nan 8.290 nan 0.000 0.516 363 E N 0.588 120.821 120.200 0.055 0.000 2.153 363 E HA 0.066 4.416 4.350 0.000 0.000 0.194 363 E C 2.554 179.195 176.600 0.068 0.000 0.988 363 E CA 2.222 58.662 56.400 0.067 0.000 0.811 363 E CB -0.108 29.631 29.700 0.065 0.000 0.746 363 E HN 0.779 nan 8.360 nan 0.000 0.466 364 T N -3.635 110.955 114.554 0.060 0.000 2.959 364 T HA 0.416 4.767 4.350 0.000 0.000 0.254 364 T C 1.812 176.542 174.700 0.050 0.000 1.003 364 T CA 0.172 62.306 62.100 0.056 0.000 0.950 364 T CB 0.393 69.295 68.868 0.056 0.000 1.090 364 T HN 0.103 nan 8.240 nan 0.000 0.503 365 A N 2.964 125.815 122.820 0.052 0.000 1.898 365 A HA 0.186 4.506 4.320 0.000 0.000 0.214 365 A C 1.953 179.559 177.584 0.036 0.000 1.183 365 A CA 1.457 53.526 52.037 0.053 0.000 0.622 365 A CB -0.202 18.831 19.000 0.055 0.000 0.824 365 A HN 0.658 nan 8.150 nan 0.000 0.444 366 K N -1.683 118.730 120.400 0.022 0.000 2.586 366 K HA 0.349 4.669 4.320 0.000 0.000 0.198 366 K C 0.555 177.155 176.600 -0.001 0.000 1.170 366 K CA 0.374 56.664 56.287 0.006 0.000 1.069 366 K CB -0.442 32.053 32.500 -0.009 0.000 0.944 366 K HN 0.262 nan 8.250 nan 0.000 0.572 367 G N 0.241 109.048 108.800 0.013 0.000 2.580 367 G HA2 0.152 4.113 3.960 0.000 0.000 0.278 367 G HA3 0.152 4.113 3.960 0.000 0.000 0.278 367 G C -0.328 174.545 174.900 -0.045 0.000 1.212 367 G CA -0.476 44.632 45.100 0.014 0.000 0.939 367 G HN 0.141 nan 8.290 nan 0.000 0.513 368 D N -1.010 119.322 120.400 -0.113 0.000 2.349 368 D HA 0.041 4.682 4.640 0.000 0.000 0.224 368 D C -0.259 175.619 176.300 -0.703 0.000 1.029 368 D CA 0.867 54.622 54.000 -0.409 0.000 0.879 368 D CB 0.259 40.715 40.800 -0.574 0.000 0.906 368 D HN 0.382 nan 8.370 nan 0.000 0.528 369 Y N -0.506 119.804 120.300 0.017 0.000 2.685 369 Y HA 0.180 4.730 4.550 0.000 0.000 0.284 369 Y C -1.614 174.299 175.900 0.021 0.000 0.944 369 Y CA -1.621 56.490 58.100 0.018 0.000 1.107 369 Y CB 0.980 39.451 38.460 0.017 0.000 1.188 369 Y HN -0.112 nan 8.280 nan 0.000 0.635 370 P HA -0.240 nan 4.420 nan 0.000 0.214 370 P C 1.510 178.862 177.300 0.088 0.000 1.169 370 P CA 1.453 64.601 63.100 0.081 0.000 0.908 370 P CB 0.617 32.345 31.700 0.047 0.000 0.791 371 L N 0.144 121.417 121.223 0.084 0.000 2.012 371 L HA -0.160 4.181 4.340 0.000 0.000 0.210 371 L C 2.697 179.616 176.870 0.082 0.000 1.073 371 L CA 1.876 56.759 54.840 0.073 0.000 0.748 371 L CB -1.723 40.375 42.059 0.065 0.000 0.891 371 L HN -0.041 nan 8.230 nan 0.000 0.431 372 E N -0.533 119.738 120.200 0.119 0.000 2.118 372 E HA -0.190 4.160 4.350 0.000 0.000 0.195 372 E C 2.287 178.927 176.600 0.068 0.000 0.992 372 E CA 1.344 57.797 56.400 0.088 0.000 0.804 372 E CB -0.356 29.394 29.700 0.084 0.000 0.741 372 E HN 0.490 nan 8.360 nan 0.000 0.458 373 A N 0.946 123.819 122.820 0.089 0.000 1.898 373 A HA -0.124 4.197 4.320 0.000 0.000 0.216 373 A C 2.632 180.255 177.584 0.066 0.000 1.181 373 A CA 1.402 53.482 52.037 0.071 0.000 0.620 373 A CB -0.639 18.411 19.000 0.084 0.000 0.819 373 A HN 0.135 nan 8.150 nan 0.000 0.442 374 V N 0.105 120.058 119.914 0.066 0.000 2.295 374 V HA -0.276 3.844 4.120 0.000 0.000 0.246 374 V C 2.626 178.768 176.094 0.080 0.000 1.049 374 V CA 2.263 64.601 62.300 0.063 0.000 1.024 374 V CB -0.855 30.995 31.823 0.044 0.000 0.648 374 V HN 0.533 nan 8.190 nan 0.000 0.447 375 R N -0.864 119.676 120.500 0.067 0.000 2.105 375 R HA -0.199 4.141 4.340 0.000 0.000 0.239 375 R C 2.240 178.614 176.300 0.123 0.000 1.135 375 R CA 1.837 57.987 56.100 0.082 0.000 0.967 375 R CB -0.448 29.883 30.300 0.051 0.000 0.861 375 R HN 0.369 nan 8.270 nan 0.000 0.442 376 M N 1.032 120.681 119.600 0.082 0.000 2.132 376 M HA -0.159 4.321 4.480 0.000 0.000 0.263 376 M C 1.976 178.318 176.300 0.070 0.000 1.065 376 M CA 1.756 57.094 55.300 0.064 0.000 1.122 376 M CB -0.144 32.477 32.600 0.036 0.000 1.365 376 M HN 0.048 nan 8.290 nan 0.000 0.411 377 Q N -1.337 118.510 119.800 0.078 0.000 2.084 377 Q HA -0.244 4.096 4.340 0.000 0.000 0.202 377 Q C 2.241 178.292 176.000 0.084 0.000 0.978 377 Q CA 1.733 57.577 55.803 0.069 0.000 0.844 377 Q CB -0.548 28.230 28.738 0.068 0.000 0.898 377 Q HN 0.681 nan 8.270 nan 0.000 0.426 378 H N 0.272 119.362 119.070 0.034 0.000 2.352 378 H HA -0.158 4.398 4.556 0.000 0.000 0.299 378 H C 1.972 177.326 175.328 0.043 0.000 1.097 378 H CA 1.266 57.340 56.048 0.042 0.000 1.311 378 H CB 0.185 29.973 29.762 0.045 0.000 1.377 378 H HN 0.149 nan 8.280 nan 0.000 0.504 379 L N 0.973 122.224 121.223 0.046 0.000 1.994 379 L HA -0.156 4.184 4.340 0.000 0.000 0.208 379 L C 2.907 179.748 176.870 -0.049 0.000 1.071 379 L CA 1.337 56.173 54.840 -0.007 0.000 0.745 379 L CB -0.847 41.253 42.059 0.067 0.000 0.892 379 L HN 0.298 nan 8.230 nan 0.000 0.431 380 I N -1.082 119.479 120.570 -0.014 0.000 2.127 380 I HA -0.347 3.823 4.170 0.000 0.000 0.241 380 I C 2.604 178.706 176.117 -0.025 0.000 1.075 380 I CA 1.233 62.526 61.300 -0.012 0.000 1.334 380 I CB -0.721 37.281 38.000 0.003 0.000 1.040 380 I HN 0.265 nan 8.210 nan 0.000 0.405 381 A N 1.147 123.946 122.820 -0.035 0.000 1.869 381 A HA -0.268 4.052 4.320 0.000 0.000 0.218 381 A C 2.441 179.998 177.584 -0.045 0.000 1.203 381 A CA 1.917 53.935 52.037 -0.031 0.000 0.638 381 A CB -0.786 18.197 19.000 -0.029 0.000 0.831 381 A HN 0.303 nan 8.150 nan 0.000 0.450 382 R N -0.949 119.482 120.500 -0.115 0.000 2.115 382 R HA -0.239 4.101 4.340 0.000 0.000 0.239 382 R C 2.213 178.495 176.300 -0.029 0.000 1.133 382 R CA 1.982 58.026 56.100 -0.094 0.000 0.935 382 R CB -0.642 29.561 30.300 -0.161 0.000 0.853 382 R HN 0.651 nan 8.270 nan 0.000 0.433 383 E N 0.287 120.469 120.200 -0.029 0.000 2.070 383 E HA -0.184 4.166 4.350 0.000 0.000 0.197 383 E C 1.844 178.454 176.600 0.016 0.000 1.004 383 E CA 1.897 58.295 56.400 -0.003 0.000 0.805 383 E CB -0.253 29.443 29.700 -0.006 0.000 0.744 383 E HN 0.401 nan 8.360 nan 0.000 0.451 384 A N 0.412 123.241 122.820 0.015 0.000 1.930 384 A HA -0.189 4.131 4.320 0.000 0.000 0.217 384 A C 1.979 179.597 177.584 0.057 0.000 1.175 384 A CA 1.637 53.693 52.037 0.032 0.000 0.627 384 A CB -0.528 18.486 19.000 0.023 0.000 0.815 384 A HN 0.328 nan 8.150 nan 0.000 0.443 385 E N 0.037 120.273 120.200 0.060 0.000 2.085 385 E HA -0.144 4.206 4.350 0.000 0.000 0.194 385 E C 2.257 178.970 176.600 0.188 0.000 0.994 385 E CA 1.045 57.508 56.400 0.106 0.000 0.801 385 E CB -0.327 29.427 29.700 0.090 0.000 0.743 385 E HN 0.617 nan 8.360 nan 0.000 0.453 386 A N 1.508 124.414 122.820 0.143 0.000 1.972 386 A HA -0.048 4.272 4.320 0.000 0.000 0.219 386 A C 2.347 180.051 177.584 0.199 0.000 1.169 386 A CA 1.436 53.575 52.037 0.169 0.000 0.635 386 A CB -0.492 18.559 19.000 0.085 0.000 0.810 386 A HN 0.276 nan 8.150 nan 0.000 0.446 387 A N -0.894 122.008 122.820 0.137 0.000 2.216 387 A HA 0.250 4.570 4.320 0.000 0.000 0.214 387 A C 1.171 178.910 177.584 0.257 0.000 1.160 387 A CA 0.238 52.355 52.037 0.133 0.000 0.725 387 A CB -0.597 18.441 19.000 0.063 0.000 0.784 387 A HN 0.582 nan 8.150 nan 0.000 0.472 388 M N -1.263 118.440 119.600 0.172 0.000 2.240 388 M HA 0.112 4.592 4.480 0.000 0.000 0.317 388 M C 0.178 176.504 176.300 0.045 0.000 1.087 388 M CA 0.439 55.741 55.300 0.003 0.000 1.176 388 M CB 0.214 32.584 32.600 -0.382 0.000 1.439 388 M HN 0.391 nan 8.290 nan 0.000 0.452 389 F N 2.884 122.608 119.950 -0.378 0.000 2.640 389 F HA 0.138 4.665 4.527 0.000 0.000 0.331 389 F C 1.287 176.860 175.800 -0.378 0.000 1.200 389 F CA -0.653 56.926 58.000 -0.702 0.000 1.278 389 F CB -0.166 38.271 39.000 -0.939 0.000 1.571 389 F HN 0.662 nan 8.300 nan 0.000 0.576 390 H N 1.057 120.109 119.070 -0.030 0.000 2.297 390 H HA -0.309 4.247 4.556 0.000 0.000 0.289 390 H C 2.372 177.509 175.328 -0.319 0.000 1.105 390 H CA 2.262 58.227 56.048 -0.138 0.000 1.219 390 H CB -0.151 29.495 29.762 -0.192 0.000 1.351 390 H HN 0.527 nan 8.280 nan 0.000 0.481 391 R N 1.079 121.377 120.500 -0.337 0.000 2.097 391 R HA -0.137 4.203 4.340 0.000 0.000 0.236 391 R C 2.402 178.466 176.300 -0.392 0.000 1.135 391 R CA 1.590 57.452 56.100 -0.397 0.000 0.934 391 R CB 0.040 30.116 30.300 -0.372 0.000 0.846 391 R HN 0.162 nan 8.270 nan 0.000 0.431 392 K N 0.465 120.362 120.400 -0.839 0.000 2.057 392 K HA -0.175 4.145 4.320 0.000 0.000 0.207 392 K C 2.123 178.572 176.600 -0.252 0.000 1.049 392 K CA 1.064 56.964 56.287 -0.645 0.000 0.931 392 K CB -0.452 31.394 32.500 -1.090 0.000 0.714 392 K HN 0.167 nan 8.250 nan 0.000 0.440 393 L N 0.851 121.947 121.223 -0.212 0.000 1.990 393 L HA -0.198 4.142 4.340 0.000 0.000 0.213 393 L C 2.203 179.119 176.870 0.077 0.000 1.072 393 L CA 1.666 56.490 54.840 -0.026 0.000 0.755 393 L CB -0.913 41.137 42.059 -0.015 0.000 0.889 393 L HN 0.093 nan 8.230 nan 0.000 0.432 394 F N 0.578 120.541 119.950 0.022 0.000 2.095 394 F HA -0.235 4.293 4.527 0.000 0.000 0.298 394 F C 2.353 178.216 175.800 0.105 0.000 1.104 394 F CA 2.134 60.228 58.000 0.157 0.000 1.232 394 F CB -0.284 38.873 39.000 0.262 0.000 0.987 394 F HN 0.280 nan 8.300 nan 0.000 0.475 395 E N -0.036 120.218 120.200 0.090 0.000 2.058 395 E HA -0.235 4.115 4.350 0.000 0.000 0.194 395 E C 2.132 178.687 176.600 -0.074 0.000 0.997 395 E CA 1.728 58.120 56.400 -0.014 0.000 0.801 395 E CB -0.295 29.405 29.700 0.001 0.000 0.746 395 E HN 0.588 nan 8.360 nan 0.000 0.450 396 E N 0.361 120.534 120.200 -0.045 0.000 2.106 396 E HA -0.170 4.180 4.350 0.000 0.000 0.192 396 E C 2.059 178.635 176.600 -0.040 0.000 0.984 396 E CA 0.488 56.870 56.400 -0.029 0.000 0.806 396 E CB 0.008 29.706 29.700 -0.003 0.000 0.750 396 E HN 0.109 nan 8.360 nan 0.000 0.458 397 L N 0.975 122.165 121.223 -0.054 0.000 2.083 397 L HA -0.126 4.215 4.340 0.000 0.000 0.209 397 L C 2.312 179.176 176.870 -0.010 0.000 1.083 397 L CA 1.649 56.462 54.840 -0.046 0.000 0.752 397 L CB -1.173 40.860 42.059 -0.044 0.000 0.899 397 L HN 0.042 nan 8.230 nan 0.000 0.433 398 A N -0.766 121.977 122.820 -0.129 0.000 1.873 398 A HA -0.214 4.107 4.320 0.000 0.000 0.215 398 A C 2.432 179.984 177.584 -0.053 0.000 1.186 398 A CA 1.510 53.459 52.037 -0.146 0.000 0.616 398 A CB -0.401 18.381 19.000 -0.362 0.000 0.823 398 A HN 0.296 nan 8.150 nan 0.000 0.442 399 R N -0.124 120.346 120.500 -0.050 0.000 2.091 399 R HA -0.077 4.264 4.340 0.000 0.000 0.238 399 R C 2.384 178.694 176.300 0.017 0.000 1.136 399 R CA 1.485 57.575 56.100 -0.016 0.000 0.959 399 R CB -0.685 29.607 30.300 -0.013 0.000 0.856 399 R HN 0.516 nan 8.270 nan 0.000 0.437 400 A N 0.234 123.063 122.820 0.015 0.000 1.948 400 A HA -0.197 4.123 4.320 0.000 0.000 0.220 400 A C 1.848 179.468 177.584 0.059 0.000 1.177 400 A CA 2.125 54.179 52.037 0.029 0.000 0.636 400 A CB -0.471 18.532 19.000 0.004 0.000 0.815 400 A HN 0.448 nan 8.150 nan 0.000 0.449 401 S N -0.725 115.018 115.700 0.072 0.000 2.568 401 S HA 0.121 4.591 4.470 0.000 0.000 0.232 401 S C 1.379 176.039 174.600 0.100 0.000 0.975 401 S CA 0.639 58.898 58.200 0.100 0.000 0.949 401 S CB -0.244 63.034 63.200 0.131 0.000 0.829 401 S HN 0.772 nan 8.310 nan 0.000 0.479 402 S N 1.653 117.394 115.700 0.068 0.000 2.423 402 S HA -0.278 4.192 4.470 0.000 0.000 0.238 402 S C 1.439 176.027 174.600 -0.020 0.000 1.028 402 S CA 1.597 59.798 58.200 0.001 0.000 1.000 402 S CB -0.942 62.227 63.200 -0.050 0.000 0.797 402 S HN 0.716 nan 8.310 nan 0.000 0.487 403 H N 1.490 120.560 119.070 -0.001 0.000 2.457 403 H HA 0.243 4.799 4.556 0.000 0.000 0.294 403 H C 1.441 176.768 175.328 -0.002 0.000 1.064 403 H CA 1.068 57.115 56.048 -0.002 0.000 1.330 403 H CB -0.200 29.562 29.762 -0.000 0.000 1.395 403 H HN 0.465 nan 8.280 nan 0.000 0.541 404 S N 0.051 115.821 115.700 0.116 0.000 2.584 404 S HA 0.156 4.626 4.470 0.000 0.000 0.273 404 S C 0.898 175.513 174.600 0.025 0.000 1.311 404 S CA -0.035 58.204 58.200 0.065 0.000 1.034 404 S CB 0.620 63.861 63.200 0.067 0.000 0.939 404 S HN 0.435 nan 8.310 nan 0.000 0.513 405 T N 0.473 115.029 114.554 0.004 0.000 3.393 405 T HA 0.231 4.581 4.350 0.000 0.000 0.298 405 T C -0.242 174.433 174.700 -0.041 0.000 1.004 405 T CA -0.533 61.555 62.100 -0.020 0.000 0.956 405 T CB -0.472 68.381 68.868 -0.024 0.000 1.182 405 T HN 0.629 nan 8.240 nan 0.000 0.497 406 D N 1.370 121.748 120.400 -0.038 0.000 2.533 406 D HA 0.055 4.696 4.640 0.000 0.000 0.236 406 D C 1.352 177.569 176.300 -0.137 0.000 1.137 406 D CA -0.017 53.934 54.000 -0.081 0.000 0.867 406 D CB 0.501 41.274 40.800 -0.046 0.000 1.170 406 D HN 0.168 nan 8.370 nan 0.000 0.474 407 L N 3.224 124.292 121.223 -0.259 0.000 2.046 407 L HA -0.193 4.147 4.340 0.000 0.000 0.208 407 L C 2.221 178.881 176.870 -0.349 0.000 1.077 407 L CA 0.901 55.530 54.840 -0.353 0.000 0.747 407 L CB -0.428 41.260 42.059 -0.618 0.000 0.896 407 L HN 0.632 nan 8.230 nan 0.000 0.432 408 M N -0.011 119.318 119.600 -0.451 0.000 2.175 408 M HA -0.171 4.309 4.480 0.000 0.000 0.264 408 M C 2.034 178.352 176.300 0.029 0.000 1.063 408 M CA 1.683 56.922 55.300 -0.103 0.000 1.119 408 M CB -0.395 32.191 32.600 -0.023 0.000 1.377 408 M HN 0.101 nan 8.290 nan 0.000 0.415 409 E N -0.323 119.881 120.200 0.007 0.000 2.085 409 E HA -0.209 4.141 4.350 0.000 0.000 0.194 409 E C 1.959 178.543 176.600 -0.027 0.000 0.994 409 E CA 1.383 57.826 56.400 0.071 0.000 0.801 409 E CB -0.296 29.456 29.700 0.086 0.000 0.743 409 E HN 0.652 nan 8.360 nan 0.000 0.453 410 A N 1.226 124.022 122.820 -0.041 0.000 1.883 410 A HA -0.215 4.105 4.320 0.000 0.000 0.217 410 A C 2.151 179.735 177.584 -0.001 0.000 1.186 410 A CA 1.460 53.471 52.037 -0.043 0.000 0.624 410 A CB -0.374 18.610 19.000 -0.027 0.000 0.822 410 A HN 0.140 nan 8.150 nan 0.000 0.444 411 M N -0.352 119.285 119.600 0.062 0.000 2.080 411 M HA -0.160 4.320 4.480 0.000 0.000 0.260 411 M C 2.549 178.893 176.300 0.073 0.000 1.068 411 M CA 1.678 57.042 55.300 0.107 0.000 1.109 411 M CB -1.678 31.056 32.600 0.222 0.000 1.342 411 M HN 0.499 nan 8.290 nan 0.000 0.405 412 A N 0.425 123.296 122.820 0.085 0.000 1.859 412 A HA -0.218 4.102 4.320 0.000 0.000 0.217 412 A C 2.258 179.872 177.584 0.051 0.000 1.198 412 A CA 2.164 54.266 52.037 0.109 0.000 0.629 412 A CB -0.743 18.389 19.000 0.220 0.000 0.830 412 A HN 0.520 nan 8.150 nan 0.000 0.446 413 M N -0.677 118.872 119.600 -0.086 0.000 2.108 413 M HA -0.137 4.343 4.480 0.000 0.000 0.261 413 M C 2.308 178.632 176.300 0.040 0.000 1.066 413 M CA 1.518 56.783 55.300 -0.058 0.000 1.107 413 M CB -0.774 31.653 32.600 -0.288 0.000 1.356 413 M HN 0.543 nan 8.290 nan 0.000 0.406 414 G N -0.351 108.447 108.800 -0.002 0.000 2.418 414 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 414 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 414 G C 1.605 176.473 174.900 -0.054 0.000 1.158 414 G CA 1.144 46.236 45.100 -0.013 0.000 0.771 414 G HN 0.444 nan 8.290 nan 0.000 0.545 415 S N 0.119 115.793 115.700 -0.043 0.000 2.345 415 S HA -0.110 4.360 4.470 0.000 0.000 0.220 415 S C 2.523 177.020 174.600 -0.172 0.000 1.031 415 S CA 1.211 59.367 58.200 -0.073 0.000 0.996 415 S CB -0.396 62.788 63.200 -0.027 0.000 0.882 415 S HN 0.175 nan 8.310 nan 0.000 0.445 416 V N 1.966 121.758 119.914 -0.203 0.000 2.332 416 V HA -0.200 3.920 4.120 0.000 0.000 0.248 416 V C 2.572 178.190 176.094 -0.793 0.000 1.055 416 V CA 2.117 64.135 62.300 -0.470 0.000 1.038 416 V CB -0.776 30.862 31.823 -0.308 0.000 0.651 416 V HN 0.392 nan 8.190 nan 0.000 0.450 417 E N 0.966 120.820 120.200 -0.577 0.000 2.023 417 E HA -0.231 4.119 4.350 0.000 0.000 0.196 417 E C 2.188 178.644 176.600 -0.239 0.000 1.003 417 E CA 1.989 58.129 56.400 -0.434 0.000 0.809 417 E CB -0.698 28.864 29.700 -0.229 0.000 0.755 417 E HN 0.480 nan 8.360 nan 0.000 0.449 418 A N 0.279 122.991 122.820 -0.181 0.000 1.917 418 A HA -0.259 4.062 4.320 0.000 0.000 0.219 418 A C 2.436 179.943 177.584 -0.128 0.000 1.182 418 A CA 2.949 54.916 52.037 -0.116 0.000 0.633 418 A CB -1.239 17.706 19.000 -0.091 0.000 0.819 418 A HN 0.476 nan 8.150 nan 0.000 0.448 419 S N -1.310 114.265 115.700 -0.208 0.000 2.382 419 S HA -0.209 4.261 4.470 0.000 0.000 0.228 419 S C 1.894 176.415 174.600 -0.132 0.000 1.027 419 S CA 1.559 59.642 58.200 -0.195 0.000 0.991 419 S CB -0.814 62.228 63.200 -0.263 0.000 0.823 419 S HN 0.528 nan 8.310 nan 0.000 0.469 420 Y N 2.260 122.471 120.300 -0.147 0.000 2.145 420 Y HA 0.088 4.639 4.550 0.000 0.000 0.286 420 Y C 2.699 178.534 175.900 -0.107 0.000 1.145 420 Y CA 1.073 59.086 58.100 -0.145 0.000 1.148 420 Y CB -0.989 37.357 38.460 -0.189 0.000 0.981 420 Y HN 0.248 nan 8.280 nan 0.000 0.507 421 K N 0.773 121.214 120.400 0.069 0.000 2.032 421 K HA -0.165 4.155 4.320 0.000 0.000 0.209 421 K C 1.860 178.461 176.600 0.002 0.000 1.048 421 K CA 1.949 58.248 56.287 0.020 0.000 0.927 421 K CB -0.712 31.786 32.500 -0.004 0.000 0.712 421 K HN 0.500 nan 8.250 nan 0.000 0.441 422 C N -0.561 118.730 119.300 -0.014 0.000 2.855 422 C HA 0.485 4.946 4.460 0.000 0.000 0.279 422 C C 0.504 175.483 174.990 -0.019 0.000 1.270 422 C CA -0.851 58.156 59.018 -0.020 0.000 1.702 422 C CB -1.406 26.314 27.740 -0.033 0.000 1.949 422 C HN 0.462 nan 8.230 nan 0.000 0.618 423 L N 0.588 121.806 121.223 -0.008 0.000 3.677 423 L HA -0.225 4.116 4.340 0.000 0.000 0.464 423 L C 1.093 177.948 176.870 -0.025 0.000 1.278 423 L CA 0.315 55.151 54.840 -0.006 0.000 0.806 423 L CB -2.163 39.896 42.059 0.000 0.000 1.610 423 L HN 0.709 nan 8.230 nan 0.000 0.867 424 A N 0.205 122.997 122.820 -0.047 0.000 2.507 424 A HA 0.469 4.790 4.320 0.000 0.000 0.235 424 A C 1.443 178.998 177.584 -0.048 0.000 1.070 424 A CA 0.722 52.719 52.037 -0.066 0.000 0.768 424 A CB 0.562 19.509 19.000 -0.089 0.000 1.011 424 A HN 0.735 nan 8.150 nan 0.000 0.502 425 A N 1.050 123.835 122.820 -0.058 0.000 2.067 425 A HA 0.503 4.823 4.320 0.000 0.000 0.217 425 A C 1.082 178.706 177.584 0.066 0.000 1.156 425 A CA 1.778 53.828 52.037 0.022 0.000 0.683 425 A CB -0.461 18.560 19.000 0.035 0.000 0.808 425 A HN 2.520 nan 8.150 nan 0.000 0.455 426 A N -2.220 120.589 122.820 -0.018 0.000 2.522 426 A HA 0.572 4.892 4.320 0.000 0.000 0.291 426 A C -2.031 175.536 177.584 -0.028 0.000 1.039 426 A CA -0.636 51.417 52.037 0.026 0.000 0.643 426 A CB 0.051 19.177 19.000 0.209 0.000 1.310 426 A HN 0.354 nan 8.150 nan 0.000 0.436 427 L N 0.835 122.059 121.223 0.003 0.000 2.349 427 L HA 0.608 4.948 4.340 0.000 0.000 0.278 427 L C -0.636 176.249 176.870 0.024 0.000 0.996 427 L CA 0.032 54.866 54.840 -0.010 0.000 0.825 427 L CB 1.611 43.662 42.059 -0.014 0.000 1.243 427 L HN 0.578 nan 8.230 nan 0.000 0.412 428 I N 3.924 124.500 120.570 0.009 0.000 2.315 428 I HA 0.392 4.562 4.170 0.000 0.000 0.291 428 I C -0.638 175.488 176.117 0.014 0.000 1.006 428 I CA -0.624 60.692 61.300 0.027 0.000 1.265 428 I CB 1.382 39.390 38.000 0.013 0.000 1.387 428 I HN 0.209 nan 8.210 nan 0.000 0.475 429 V N 7.680 127.607 119.914 0.022 0.000 2.444 429 V HA 0.309 4.429 4.120 0.000 0.000 0.294 429 V C -0.258 175.835 176.094 -0.003 0.000 1.022 429 V CA -0.656 61.650 62.300 0.009 0.000 0.850 429 V CB 1.783 33.612 31.823 0.010 0.000 0.992 429 V HN 0.372 nan 8.190 nan 0.000 0.426 430 L N 4.706 125.922 121.223 -0.012 0.000 2.261 430 L HA 0.649 4.989 4.340 0.000 0.000 0.289 430 L C 0.356 177.215 176.870 -0.018 0.000 1.059 430 L CA 0.909 55.735 54.840 -0.024 0.000 0.816 430 L CB 1.182 43.212 42.059 -0.047 0.000 1.191 430 L HN 0.801 nan 8.230 nan 0.000 0.431 431 T N 1.536 116.072 114.554 -0.029 0.000 2.916 431 T HA 0.440 4.791 4.350 0.000 0.000 0.305 431 T C 0.379 175.054 174.700 -0.041 0.000 1.119 431 T CA -0.410 61.664 62.100 -0.043 0.000 1.008 431 T CB 1.300 70.116 68.868 -0.088 0.000 1.129 431 T HN 0.571 nan 8.240 nan 0.000 0.480 432 E N 1.109 121.288 120.200 -0.035 0.000 2.290 432 E HA 0.088 4.438 4.350 0.000 0.000 0.199 432 E C 2.088 178.675 176.600 -0.023 0.000 0.912 432 E CA 0.962 57.350 56.400 -0.020 0.000 0.924 432 E CB 0.073 29.770 29.700 -0.005 0.000 0.901 432 E HN 0.662 nan 8.360 nan 0.000 0.487 433 S N -0.901 114.777 115.700 -0.037 0.000 2.478 433 S HA 0.207 4.677 4.470 0.000 0.000 0.222 433 S C 1.709 176.250 174.600 -0.099 0.000 1.008 433 S CA 0.969 59.152 58.200 -0.029 0.000 0.928 433 S CB 0.529 63.723 63.200 -0.010 0.000 0.781 433 S HN 0.275 nan 8.310 nan 0.000 0.518 434 G N 2.071 110.744 108.800 -0.211 0.000 2.234 434 G HA2 -0.342 3.618 3.960 0.000 0.000 0.235 434 G HA3 -0.342 3.618 3.960 0.000 0.000 0.235 434 G C 0.995 175.353 174.900 -0.904 0.000 0.997 434 G CA 0.408 45.197 45.100 -0.517 0.000 0.623 434 G HN 0.480 nan 8.290 nan 0.000 0.514 435 R N 1.199 121.420 120.500 -0.466 0.000 2.133 435 R HA -0.168 4.172 4.340 0.000 0.000 0.245 435 R C 2.619 178.815 176.300 -0.173 0.000 1.137 435 R CA 2.658 58.614 56.100 -0.239 0.000 0.947 435 R CB -0.623 29.666 30.300 -0.020 0.000 0.865 435 R HN 0.498 nan 8.270 nan 0.000 0.437 436 S N 0.391 116.029 115.700 -0.104 0.000 2.365 436 S HA -0.190 4.280 4.470 0.000 0.000 0.225 436 S C 2.058 176.633 174.600 -0.042 0.000 1.039 436 S CA 1.435 59.631 58.200 -0.007 0.000 1.033 436 S CB -0.352 62.863 63.200 0.024 0.000 0.887 436 S HN 0.600 nan 8.310 nan 0.000 0.447 437 A N 1.975 124.706 122.820 -0.149 0.000 1.898 437 A HA -0.123 4.198 4.320 0.000 0.000 0.216 437 A C 1.879 179.415 177.584 -0.079 0.000 1.181 437 A CA 1.359 53.334 52.037 -0.104 0.000 0.620 437 A CB -0.863 18.059 19.000 -0.130 0.000 0.819 437 A HN 0.492 nan 8.150 nan 0.000 0.442 438 H N -0.581 118.336 119.070 -0.254 0.000 2.289 438 H HA -0.174 4.382 4.556 0.000 0.000 0.296 438 H C 2.193 177.448 175.328 -0.121 0.000 1.091 438 H CA 2.032 57.811 56.048 -0.449 0.000 1.274 438 H CB -0.735 28.656 29.762 -0.617 0.000 1.364 438 H HN 0.480 nan 8.280 nan 0.000 0.490 439 Q N 0.543 120.402 119.800 0.098 0.000 2.112 439 Q HA -0.099 4.241 4.340 0.000 0.000 0.206 439 Q C 2.550 178.673 176.000 0.206 0.000 0.987 439 Q CA 1.240 57.133 55.803 0.150 0.000 0.858 439 Q CB -0.484 28.343 28.738 0.149 0.000 0.905 439 Q HN 0.272 nan 8.270 nan 0.000 0.420 440 V N -0.011 119.996 119.914 0.155 0.000 2.427 440 V HA -0.218 3.902 4.120 0.000 0.000 0.248 440 V C 2.091 178.292 176.094 0.179 0.000 1.051 440 V CA 1.583 63.987 62.300 0.172 0.000 1.048 440 V CB -1.023 30.860 31.823 0.101 0.000 0.666 440 V HN 0.442 nan 8.190 nan 0.000 0.456 441 A N -0.241 122.666 122.820 0.145 0.000 1.969 441 A HA -0.172 4.148 4.320 0.000 0.000 0.218 441 A C 2.391 180.057 177.584 0.137 0.000 1.169 441 A CA 1.271 53.403 52.037 0.159 0.000 0.635 441 A CB -0.515 18.604 19.000 0.197 0.000 0.810 441 A HN 0.350 nan 8.150 nan 0.000 0.445 442 R N -0.899 119.650 120.500 0.080 0.000 2.103 442 R HA -0.167 4.173 4.340 0.000 0.000 0.242 442 R C 0.357 176.492 176.300 -0.275 0.000 1.142 442 R CA 1.556 57.585 56.100 -0.118 0.000 0.960 442 R CB -0.447 29.711 30.300 -0.237 0.000 0.858 442 R HN 0.602 nan 8.270 nan 0.000 0.439 443 Y N 1.361 121.759 120.300 0.162 0.000 2.596 443 Y HA 0.212 4.763 4.550 0.000 0.000 0.316 443 Y C 0.106 176.211 175.900 0.342 0.000 1.156 443 Y CA -0.446 57.799 58.100 0.241 0.000 1.300 443 Y CB 0.076 38.727 38.460 0.319 0.000 1.130 443 Y HN -0.114 nan 8.280 nan 0.000 0.518 444 R N -0.061 120.618 120.500 0.299 0.000 2.879 444 R HA -0.184 4.156 4.340 0.000 0.000 0.241 444 R C -2.776 173.759 176.300 0.391 0.000 0.845 444 R CA 0.062 56.353 56.100 0.318 0.000 0.599 444 R CB -1.976 28.503 30.300 0.297 0.000 1.213 444 R HN 0.343 nan 8.270 nan 0.000 0.510 445 P HA 0.032 nan 4.420 nan 0.000 0.273 445 P C 0.629 178.040 177.300 0.184 0.000 1.250 445 P CA -0.294 62.827 63.100 0.036 0.000 0.793 445 P CB 0.709 32.363 31.700 -0.076 0.000 1.011 446 R N 0.892 121.441 120.500 0.083 0.000 2.090 446 R HA 0.118 4.458 4.340 0.000 0.000 0.219 446 R C 0.972 177.259 176.300 -0.022 0.000 1.100 446 R CA 0.462 56.515 56.100 -0.077 0.000 0.991 446 R CB -0.405 29.698 30.300 -0.330 0.000 0.893 446 R HN 0.589 nan 8.270 nan 0.000 0.443 447 A N 2.349 125.146 122.820 -0.039 0.000 2.346 447 A HA 0.352 4.672 4.320 0.000 0.000 0.252 447 A C -2.241 175.319 177.584 -0.039 0.000 1.089 447 A CA -1.339 50.670 52.037 -0.046 0.000 0.797 447 A CB -0.069 18.904 19.000 -0.045 0.000 1.047 447 A HN 0.286 nan 8.150 nan 0.000 0.494 448 P HA 0.291 nan 4.420 nan 0.000 0.274 448 P C -0.964 176.341 177.300 0.008 0.000 1.231 448 P CA 0.162 63.209 63.100 -0.090 0.000 0.790 448 P CB 0.645 32.132 31.700 -0.354 0.000 0.951 449 I N 3.383 123.995 120.570 0.069 0.000 2.337 449 I HA 0.290 4.460 4.170 0.000 0.000 0.285 449 I C 0.585 176.789 176.117 0.144 0.000 1.041 449 I CA -0.674 60.681 61.300 0.091 0.000 1.199 449 I CB 0.543 38.597 38.000 0.090 0.000 1.370 449 I HN 0.113 nan 8.210 nan 0.000 0.470 450 I N 6.323 126.980 120.570 0.145 0.000 2.294 450 I HA 0.265 4.435 4.170 0.000 0.000 0.295 450 I C 0.709 176.902 176.117 0.126 0.000 1.098 450 I CA -0.098 61.312 61.300 0.183 0.000 1.277 450 I CB 0.625 38.734 38.000 0.182 0.000 1.434 450 I HN 0.570 nan 8.210 nan 0.000 0.498 451 A N 7.153 130.044 122.820 0.118 0.000 2.269 451 A HA 0.564 4.884 4.320 0.000 0.000 0.302 451 A C -0.239 177.374 177.584 0.049 0.000 1.266 451 A CA -0.390 51.679 52.037 0.053 0.000 0.894 451 A CB 0.521 19.531 19.000 0.016 0.000 1.147 451 A HN 0.465 nan 8.150 nan 0.000 0.537 452 V N 3.135 123.065 119.914 0.027 0.000 2.350 452 V HA 0.584 4.705 4.120 0.000 0.000 0.276 452 V C 0.550 176.637 176.094 -0.011 0.000 1.028 452 V CA -0.012 62.297 62.300 0.016 0.000 0.860 452 V CB 1.129 32.957 31.823 0.009 0.000 0.990 452 V HN 0.967 nan 8.190 nan 0.000 0.453 453 T N 4.380 118.921 114.554 -0.020 0.000 2.906 453 T HA 0.448 4.798 4.350 0.000 0.000 0.295 453 T C 0.634 175.302 174.700 -0.054 0.000 1.075 453 T CA -0.606 61.475 62.100 -0.032 0.000 1.005 453 T CB 1.841 70.690 68.868 -0.031 0.000 1.136 453 T HN 0.629 nan 8.240 nan 0.000 0.498 454 R N 1.182 121.660 120.500 -0.036 0.000 2.290 454 R HA 0.198 4.538 4.340 0.000 0.000 0.197 454 R C 0.464 176.755 176.300 -0.015 0.000 0.913 454 R CA -0.185 55.894 56.100 -0.036 0.000 1.040 454 R CB 0.200 30.503 30.300 0.005 0.000 0.992 454 R HN 0.435 nan 8.270 nan 0.000 0.500 455 N N 0.786 119.487 118.700 0.002 0.000 2.408 455 N HA -0.028 4.712 4.740 0.000 0.000 0.257 455 N C 0.246 175.786 175.510 0.051 0.000 1.064 455 N CA 0.299 53.386 53.050 0.063 0.000 0.952 455 N CB 0.868 39.386 38.487 0.051 0.000 1.093 455 N HN 0.093 nan 8.380 nan 0.000 0.490 456 H N 2.127 121.232 119.070 0.059 0.000 2.357 456 H HA -0.087 4.469 4.556 0.000 0.000 0.301 456 H C 1.618 176.997 175.328 0.086 0.000 1.082 456 H CA 1.868 57.966 56.048 0.084 0.000 1.342 456 H CB 0.220 30.032 29.762 0.083 0.000 1.389 456 H HN 0.683 nan 8.280 nan 0.000 0.511 457 Q N 0.077 119.995 119.800 0.196 0.000 2.170 457 Q HA -0.148 4.192 4.340 0.000 0.000 0.203 457 Q C 1.679 177.754 176.000 0.124 0.000 0.976 457 Q CA 1.791 57.678 55.803 0.139 0.000 0.858 457 Q CB 0.047 28.847 28.738 0.104 0.000 0.907 457 Q HN 0.366 nan 8.270 nan 0.000 0.433 458 T N 0.306 114.922 114.554 0.104 0.000 2.668 458 T HA -0.120 4.230 4.350 0.000 0.000 0.262 458 T C 1.778 176.529 174.700 0.084 0.000 1.045 458 T CA 1.372 63.526 62.100 0.090 0.000 1.152 458 T CB -0.572 68.322 68.868 0.044 0.000 0.864 458 T HN 0.519 nan 8.240 nan 0.000 0.419 459 A N 1.610 124.461 122.820 0.052 0.000 1.903 459 A HA -0.243 4.077 4.320 0.000 0.000 0.219 459 A C 2.322 179.933 177.584 0.045 0.000 1.191 459 A CA 2.127 54.178 52.037 0.023 0.000 0.638 459 A CB -0.657 18.351 19.000 0.013 0.000 0.823 459 A HN 0.410 nan 8.150 nan 0.000 0.451 460 R N -0.886 119.689 120.500 0.125 0.000 2.070 460 R HA -0.146 4.194 4.340 0.000 0.000 0.233 460 R C 2.497 178.930 176.300 0.222 0.000 1.137 460 R CA 1.855 58.070 56.100 0.192 0.000 0.945 460 R CB -0.293 30.107 30.300 0.166 0.000 0.845 460 R HN 0.735 nan 8.270 nan 0.000 0.430 461 Q N -0.582 119.327 119.800 0.181 0.000 2.291 461 Q HA -0.032 4.309 4.340 0.000 0.000 0.205 461 Q C 1.947 178.104 176.000 0.261 0.000 0.970 461 Q CA 0.914 56.840 55.803 0.205 0.000 0.876 461 Q CB 0.059 28.914 28.738 0.195 0.000 0.935 461 Q HN 0.347 nan 8.270 nan 0.000 0.455 462 A N 0.740 123.687 122.820 0.210 0.000 1.986 462 A HA -0.249 4.071 4.320 0.000 0.000 0.220 462 A C 1.340 179.038 177.584 0.191 0.000 1.171 462 A CA 1.644 53.816 52.037 0.224 0.000 0.640 462 A CB -0.733 18.290 19.000 0.039 0.000 0.811 462 A HN 0.424 nan 8.150 nan 0.000 0.451 463 H N -1.446 117.719 119.070 0.158 0.000 2.489 463 H HA -0.086 4.470 4.556 0.000 0.000 0.295 463 H C 1.643 177.025 175.328 0.090 0.000 1.082 463 H CA 1.136 57.242 56.048 0.097 0.000 1.295 463 H CB -0.052 29.734 29.762 0.040 0.000 1.380 463 H HN 0.349 nan 8.280 nan 0.000 0.548 464 L N -0.052 121.281 121.223 0.183 0.000 2.265 464 L HA -0.143 4.197 4.340 0.000 0.000 0.215 464 L C -0.183 176.545 176.870 -0.237 0.000 1.117 464 L CA 1.266 56.072 54.840 -0.057 0.000 0.782 464 L CB -0.572 41.380 42.059 -0.178 0.000 0.914 464 L HN 0.242 nan 8.230 nan 0.000 0.441 465 Y N -0.887 119.431 120.300 0.030 0.000 2.330 465 Y HA 0.435 4.985 4.550 0.000 0.000 0.336 465 Y C 0.811 176.746 175.900 0.058 0.000 1.036 465 Y CA -1.279 56.839 58.100 0.029 0.000 1.125 465 Y CB 0.614 39.102 38.460 0.047 0.000 1.194 465 Y HN -0.157 nan 8.280 nan 0.000 0.469 466 R N 1.603 122.207 120.500 0.174 0.000 2.502 466 R HA 0.266 4.606 4.340 0.000 0.000 0.292 466 R C 1.169 177.566 176.300 0.162 0.000 0.998 466 R CA 1.254 57.437 56.100 0.138 0.000 1.056 466 R CB -0.441 29.922 30.300 0.105 0.000 0.939 466 R HN 0.971 nan 8.270 nan 0.000 0.411 467 G N 3.837 112.724 108.800 0.144 0.000 2.267 467 G HA2 -0.310 3.651 3.960 0.000 0.000 0.257 467 G HA3 -0.310 3.651 3.960 0.000 0.000 0.257 467 G C 0.279 175.271 174.900 0.153 0.000 0.998 467 G CA 0.284 45.467 45.100 0.137 0.000 0.620 467 G HN 0.575 nan 8.290 nan 0.000 0.529 468 I N 0.884 121.552 120.570 0.163 0.000 2.396 468 I HA 0.407 4.577 4.170 0.000 0.000 0.289 468 I C -0.100 176.101 176.117 0.139 0.000 1.056 468 I CA -0.507 60.881 61.300 0.147 0.000 1.365 468 I CB 0.686 38.762 38.000 0.126 0.000 1.407 468 I HN 0.082 nan 8.210 nan 0.000 0.509 469 F N 10.267 130.238 119.950 0.035 0.000 2.307 469 F HA 0.458 4.985 4.527 0.000 0.000 0.369 469 F C -2.120 173.688 175.800 0.013 0.000 1.076 469 F CA -2.986 55.048 58.000 0.055 0.000 1.149 469 F CB 0.563 39.670 39.000 0.178 0.000 1.410 469 F HN 0.250 nan 8.300 nan 0.000 0.481 470 P HA 0.083 nan 4.420 nan 0.000 0.268 470 P C -1.060 176.294 177.300 0.090 0.000 1.205 470 P CA 0.177 63.262 63.100 -0.024 0.000 0.771 470 P CB 1.902 33.486 31.700 -0.193 0.000 0.858 471 V N 3.895 123.873 119.914 0.106 0.000 2.623 471 V HA 0.163 4.283 4.120 0.000 0.000 0.304 471 V C 0.083 176.211 176.094 0.057 0.000 1.054 471 V CA -0.786 61.589 62.300 0.124 0.000 0.882 471 V CB 2.434 34.343 31.823 0.144 0.000 1.002 471 V HN 0.253 nan 8.190 nan 0.000 0.424 472 V N 3.939 123.890 119.914 0.063 0.000 2.364 472 V HA 0.232 4.353 4.120 0.000 0.000 0.272 472 V C 0.392 176.466 176.094 -0.033 0.000 1.036 472 V CA -0.427 61.845 62.300 -0.047 0.000 0.880 472 V CB 1.298 33.027 31.823 -0.157 0.000 0.991 472 V HN 1.038 nan 8.190 nan 0.000 0.460 473 C N 6.532 125.804 119.300 -0.046 0.000 2.566 473 C HA 0.316 4.776 4.460 0.000 0.000 0.393 473 C C 1.413 176.387 174.990 -0.027 0.000 1.309 473 C CA -0.306 58.698 59.018 -0.025 0.000 1.801 473 C CB -0.605 27.119 27.740 -0.026 0.000 2.493 473 C HN 1.008 nan 8.230 nan 0.000 0.575 474 K N 2.714 123.110 120.400 -0.007 0.000 2.358 474 K HA 0.145 4.465 4.320 0.000 0.000 0.200 474 K C 0.058 176.666 176.600 0.013 0.000 1.030 474 K CA -0.176 56.120 56.287 0.014 0.000 1.097 474 K CB 0.213 32.720 32.500 0.013 0.000 0.862 474 K HN 0.722 nan 8.250 nan 0.000 0.534 475 D N 3.023 123.424 120.400 0.002 0.000 2.372 475 D HA 0.080 4.721 4.640 0.000 0.000 0.243 475 D C -2.165 174.137 176.300 0.002 0.000 1.121 475 D CA -1.231 52.768 54.000 -0.001 0.000 0.898 475 D CB 0.917 41.711 40.800 -0.010 0.000 1.202 475 D HN 0.028 nan 8.370 nan 0.000 0.428 476 P HA 0.027 nan 4.420 nan 0.000 0.274 476 P C -0.130 177.173 177.300 0.005 0.000 1.231 476 P CA -0.420 62.685 63.100 0.008 0.000 0.790 476 P CB 0.752 32.456 31.700 0.007 0.000 0.951 477 V N 2.550 122.471 119.914 0.012 0.000 2.644 477 V HA -0.101 4.020 4.120 0.000 0.000 0.305 477 V C 1.136 177.237 176.094 0.012 0.000 1.053 477 V CA 0.693 63.002 62.300 0.015 0.000 1.186 477 V CB -0.582 31.261 31.823 0.033 0.000 0.895 477 V HN 0.587 nan 8.190 nan 0.000 0.490 478 Q N 2.842 122.643 119.800 0.002 0.000 2.312 478 Q HA 0.158 4.498 4.340 0.000 0.000 0.236 478 Q C 1.148 177.162 176.000 0.024 0.000 0.965 478 Q CA 0.006 55.809 55.803 0.001 0.000 0.894 478 Q CB 0.710 29.433 28.738 -0.024 0.000 1.225 478 Q HN 0.690 nan 8.270 nan 0.000 0.478 479 E N 1.141 121.355 120.200 0.023 0.000 2.031 479 E HA -0.079 4.271 4.350 0.000 0.000 0.193 479 E C -0.536 176.099 176.600 0.059 0.000 0.994 479 E CA 0.979 57.401 56.400 0.036 0.000 0.800 479 E CB 0.023 29.738 29.700 0.025 0.000 0.752 479 E HN 0.612 nan 8.360 nan 0.000 0.447 480 A N 1.897 124.746 122.820 0.049 0.000 2.302 480 A HA 0.051 4.371 4.320 0.000 0.000 0.295 480 A C 0.905 178.546 177.584 0.095 0.000 1.235 480 A CA -0.420 51.662 52.037 0.075 0.000 0.876 480 A CB -0.475 18.549 19.000 0.042 0.000 1.133 480 A HN 0.556 nan 8.150 nan 0.000 0.533 481 W N 3.509 124.795 121.300 -0.023 0.000 2.290 481 W HA -0.383 4.278 4.660 0.000 0.000 0.323 481 W C 1.650 178.151 176.519 -0.030 0.000 1.260 481 W CA 2.796 60.121 57.345 -0.034 0.000 1.266 481 W CB -0.483 28.952 29.460 -0.040 0.000 1.149 481 W HN 0.758 nan 8.180 nan 0.000 0.482 482 A N 0.775 123.537 122.820 -0.096 0.000 1.903 482 A HA -0.303 4.017 4.320 0.000 0.000 0.219 482 A C 1.859 179.299 177.584 -0.240 0.000 1.191 482 A CA 2.371 54.284 52.037 -0.207 0.000 0.638 482 A CB -1.149 17.838 19.000 -0.021 0.000 0.823 482 A HN 0.583 nan 8.150 nan 0.000 0.451 483 E N -0.957 119.157 120.200 -0.143 0.000 2.047 483 E HA -0.208 4.142 4.350 0.000 0.000 0.191 483 E C 1.822 178.318 176.600 -0.173 0.000 0.987 483 E CA 1.169 57.496 56.400 -0.123 0.000 0.799 483 E CB -0.237 29.426 29.700 -0.062 0.000 0.752 483 E HN 0.702 nan 8.360 nan 0.000 0.449 484 D N 0.042 120.320 120.400 -0.203 0.000 2.182 484 D HA -0.149 4.491 4.640 0.000 0.000 0.201 484 D C 1.805 177.906 176.300 -0.333 0.000 0.986 484 D CA 0.751 54.619 54.000 -0.220 0.000 0.847 484 D CB 0.201 40.894 40.800 -0.178 0.000 0.942 484 D HN -0.054 nan 8.370 nan 0.000 0.467 485 V N 0.602 120.200 119.914 -0.527 0.000 2.270 485 V HA -0.195 3.925 4.120 0.000 0.000 0.245 485 V C 1.786 177.710 176.094 -0.284 0.000 1.043 485 V CA 1.968 63.955 62.300 -0.522 0.000 1.014 485 V CB -0.523 30.880 31.823 -0.701 0.000 0.645 485 V HN 0.202 nan 8.190 nan 0.000 0.447 486 D N 0.040 120.303 120.400 -0.228 0.000 2.149 486 D HA -0.172 4.469 4.640 0.000 0.000 0.198 486 D C 1.905 178.139 176.300 -0.110 0.000 0.990 486 D CA 1.063 54.979 54.000 -0.140 0.000 0.839 486 D CB -0.453 40.281 40.800 -0.110 0.000 0.948 486 D HN 0.321 nan 8.370 nan 0.000 0.460 487 L N 0.779 121.931 121.223 -0.118 0.000 1.971 487 L HA -0.191 4.150 4.340 0.000 0.000 0.215 487 L C 2.256 179.081 176.870 -0.075 0.000 1.072 487 L CA 1.826 56.615 54.840 -0.084 0.000 0.758 487 L CB -0.372 41.637 42.059 -0.084 0.000 0.889 487 L HN -0.200 nan 8.230 nan 0.000 0.433 488 R N -1.072 119.368 120.500 -0.100 0.000 2.083 488 R HA -0.126 4.214 4.340 0.000 0.000 0.237 488 R C 2.158 178.425 176.300 -0.056 0.000 1.137 488 R CA 1.721 57.775 56.100 -0.078 0.000 0.951 488 R CB -0.865 29.371 30.300 -0.107 0.000 0.851 488 R HN 0.351 nan 8.270 nan 0.000 0.434 489 V N 1.387 121.256 119.914 -0.075 0.000 2.407 489 V HA -0.264 3.856 4.120 0.000 0.000 0.248 489 V C 2.125 178.207 176.094 -0.020 0.000 1.055 489 V CA 1.859 64.130 62.300 -0.049 0.000 1.049 489 V CB -0.624 31.157 31.823 -0.071 0.000 0.662 489 V HN 0.455 nan 8.190 nan 0.000 0.455 490 N N 0.034 118.717 118.700 -0.028 0.000 2.188 490 N HA -0.140 4.600 4.740 0.000 0.000 0.184 490 N C 1.866 177.382 175.510 0.010 0.000 1.018 490 N CA 1.377 54.422 53.050 -0.008 0.000 0.858 490 N CB -0.054 38.421 38.487 -0.020 0.000 0.989 490 N HN 0.419 nan 8.380 nan 0.000 0.426 491 L N 1.545 122.768 121.223 0.001 0.000 2.012 491 L HA -0.099 4.241 4.340 0.000 0.000 0.210 491 L C 2.290 179.177 176.870 0.028 0.000 1.073 491 L CA 2.055 56.901 54.840 0.010 0.000 0.748 491 L CB -1.049 41.014 42.059 0.006 0.000 0.891 491 L HN 0.116 nan 8.230 nan 0.000 0.431 492 A N -0.665 122.181 122.820 0.043 0.000 1.908 492 A HA -0.230 4.091 4.320 0.000 0.000 0.218 492 A C 2.224 179.898 177.584 0.149 0.000 1.181 492 A CA 2.216 54.303 52.037 0.083 0.000 0.627 492 A CB -0.596 18.455 19.000 0.085 0.000 0.818 492 A HN 0.529 nan 8.150 nan 0.000 0.445 493 M N -0.125 119.567 119.600 0.153 0.000 2.149 493 M HA -0.174 4.306 4.480 0.000 0.000 0.261 493 M C 1.680 178.093 176.300 0.189 0.000 1.064 493 M CA 1.573 57.029 55.300 0.261 0.000 1.102 493 M CB -1.755 30.922 32.600 0.129 0.000 1.369 493 M HN 0.582 nan 8.290 nan 0.000 0.408 494 N N -0.346 118.387 118.700 0.055 0.000 2.173 494 N HA -0.075 4.665 4.740 0.000 0.000 0.184 494 N C 1.796 177.234 175.510 -0.120 0.000 1.025 494 N CA 0.726 53.763 53.050 -0.022 0.000 0.852 494 N CB 0.124 38.602 38.487 -0.015 0.000 0.998 494 N HN 0.031 nan 8.380 nan 0.000 0.427 495 V N 1.095 120.940 119.914 -0.115 0.000 2.252 495 V HA -0.239 3.881 4.120 0.000 0.000 0.249 495 V C 2.437 178.239 176.094 -0.486 0.000 1.056 495 V CA 2.239 64.409 62.300 -0.217 0.000 1.022 495 V CB -1.287 30.461 31.823 -0.125 0.000 0.641 495 V HN 0.452 nan 8.190 nan 0.000 0.445 496 G N -0.531 107.957 108.800 -0.520 0.000 2.446 496 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 496 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 496 G C 1.657 175.853 174.900 -1.173 0.000 1.168 496 G CA 0.960 45.394 45.100 -1.111 0.000 0.771 496 G HN 0.467 nan 8.290 nan 0.000 0.551 497 K N 0.545 120.508 120.400 -0.729 0.000 2.057 497 K HA -0.020 4.300 4.320 0.000 0.000 0.207 497 K C 2.979 179.379 176.600 -0.334 0.000 1.049 497 K CA 1.074 57.127 56.287 -0.390 0.000 0.931 497 K CB -0.259 32.174 32.500 -0.112 0.000 0.714 497 K HN 0.287 nan 8.250 nan 0.000 0.440 498 A N 1.398 124.024 122.820 -0.324 0.000 1.855 498 A HA -0.143 4.178 4.320 0.000 0.000 0.215 498 A C 2.026 179.403 177.584 -0.346 0.000 1.191 498 A CA 1.327 53.206 52.037 -0.263 0.000 0.613 498 A CB -0.329 18.546 19.000 -0.207 0.000 0.829 498 A HN 0.098 nan 8.150 nan 0.000 0.442 499 R N -0.885 119.268 120.500 -0.579 0.000 2.357 499 R HA 0.119 4.459 4.340 0.000 0.000 0.202 499 R C 1.273 177.202 176.300 -0.619 0.000 1.047 499 R CA 0.719 56.365 56.100 -0.756 0.000 1.034 499 R CB -0.791 28.595 30.300 -1.523 0.000 0.875 499 R HN 0.911 nan 8.270 nan 0.000 0.473 500 G N -0.842 107.687 108.800 -0.453 0.000 2.147 500 G HA2 -0.263 3.697 3.960 0.000 0.000 0.244 500 G HA3 -0.263 3.697 3.960 0.000 0.000 0.244 500 G C 0.459 175.351 174.900 -0.013 0.000 1.005 500 G CA 0.220 45.206 45.100 -0.190 0.000 0.713 500 G HN 0.274 nan 8.290 nan 0.000 0.515 501 F N -0.343 119.382 119.950 -0.376 0.000 2.416 501 F HA 0.406 4.933 4.527 0.000 0.000 0.296 501 F C 1.266 176.994 175.800 -0.120 0.000 1.099 501 F CA 0.358 58.178 58.000 -0.301 0.000 1.427 501 F CB -0.480 38.256 39.000 -0.440 0.000 1.079 501 F HN 0.462 nan 8.300 nan 0.000 0.536 502 F N -1.717 118.307 119.950 0.122 0.000 2.769 502 F HA 0.546 5.074 4.527 0.000 0.000 0.313 502 F C -1.154 174.656 175.800 0.017 0.000 1.146 502 F CA -2.445 55.589 58.000 0.056 0.000 0.934 502 F CB 0.636 39.664 39.000 0.047 0.000 1.283 502 F HN -0.224 nan 8.300 nan 0.000 0.443 503 K N 0.250 120.837 120.400 0.311 0.000 2.313 503 K HA 0.513 4.833 4.320 0.000 0.000 0.235 503 K C -0.959 175.750 176.600 0.181 0.000 1.035 503 K CA -1.218 55.186 56.287 0.196 0.000 0.868 503 K CB 1.065 33.620 32.500 0.091 0.000 1.232 503 K HN 0.812 nan 8.250 nan 0.000 0.459 504 K N 0.016 120.485 120.400 0.114 0.000 2.530 504 K HA 0.069 4.389 4.320 0.000 0.000 0.280 504 K C 0.551 177.175 176.600 0.039 0.000 1.004 504 K CA 1.725 58.052 56.287 0.067 0.000 1.071 504 K CB -0.518 32.007 32.500 0.042 0.000 0.876 504 K HN 0.822 nan 8.250 nan 0.000 0.487 505 G N 3.255 112.061 108.800 0.009 0.000 2.397 505 G HA2 -0.232 3.728 3.960 0.000 0.000 0.211 505 G HA3 -0.232 3.728 3.960 0.000 0.000 0.211 505 G C -0.436 174.449 174.900 -0.025 0.000 1.077 505 G CA 0.069 45.165 45.100 -0.006 0.000 0.649 505 G HN 0.736 nan 8.290 nan 0.000 0.511 506 D N 1.023 121.412 120.400 -0.018 0.000 2.443 506 D HA 0.406 5.046 4.640 0.000 0.000 0.234 506 D C 0.856 177.085 176.300 -0.119 0.000 1.172 506 D CA 0.174 54.147 54.000 -0.046 0.000 0.878 506 D CB 1.138 41.933 40.800 -0.008 0.000 1.204 506 D HN 0.362 nan 8.370 nan 0.000 0.453 507 V N 1.395 121.243 119.914 -0.109 0.000 2.644 507 V HA 0.484 4.604 4.120 0.000 0.000 0.295 507 V C 0.391 176.373 176.094 -0.187 0.000 1.053 507 V CA -0.437 61.787 62.300 -0.127 0.000 0.987 507 V CB 1.767 33.541 31.823 -0.082 0.000 1.006 507 V HN 0.259 nan 8.190 nan 0.000 0.472 508 V N 4.512 124.309 119.914 -0.196 0.000 2.969 508 V HA 0.456 4.577 4.120 0.000 0.000 0.304 508 V C -0.950 175.057 176.094 -0.144 0.000 1.192 508 V CA -0.529 61.638 62.300 -0.221 0.000 0.962 508 V CB 2.238 33.833 31.823 -0.380 0.000 1.045 508 V HN 0.671 nan 8.190 nan 0.000 0.428 509 I N 3.997 124.499 120.570 -0.113 0.000 2.396 509 I HA 0.521 4.691 4.170 0.000 0.000 0.292 509 I C -0.258 175.821 176.117 -0.064 0.000 0.999 509 I CA -0.030 61.223 61.300 -0.080 0.000 1.310 509 I CB 1.759 39.715 38.000 -0.073 0.000 1.404 509 I HN 0.301 nan 8.210 nan 0.000 0.496 510 V N 7.434 127.319 119.914 -0.049 0.000 2.483 510 V HA 0.442 4.562 4.120 0.000 0.000 0.297 510 V C -0.323 175.763 176.094 -0.014 0.000 1.027 510 V CA -0.675 61.604 62.300 -0.035 0.000 0.855 510 V CB 1.623 33.418 31.823 -0.046 0.000 0.995 510 V HN 0.403 nan 8.190 nan 0.000 0.424 511 L N 5.493 126.715 121.223 -0.002 0.000 2.305 511 L HA 0.769 5.109 4.340 0.000 0.000 0.284 511 L C 0.342 177.222 176.870 0.018 0.000 1.013 511 L CA -0.046 54.806 54.840 0.020 0.000 0.819 511 L CB 1.958 44.038 42.059 0.036 0.000 1.227 511 L HN 0.884 nan 8.230 nan 0.000 0.417 512 T N -0.429 114.144 114.554 0.031 0.000 2.864 512 T HA 0.713 5.063 4.350 0.000 0.000 0.289 512 T C 0.149 174.900 174.700 0.085 0.000 1.082 512 T CA -0.534 61.592 62.100 0.044 0.000 1.009 512 T CB 1.783 70.664 68.868 0.022 0.000 1.234 512 T HN 0.498 nan 8.240 nan 0.000 0.526 513 G N -0.990 107.904 108.800 0.155 0.000 2.563 513 G HA2 0.448 4.408 3.960 0.000 0.000 0.283 513 G HA3 0.448 4.408 3.960 0.000 0.000 0.283 513 G C 0.132 175.140 174.900 0.180 0.000 1.309 513 G CA -0.422 44.691 45.100 0.022 0.000 1.022 513 G HN 1.031 nan 8.290 nan 0.000 0.501 514 W N -0.905 120.348 121.300 -0.079 0.000 2.735 514 W HA 0.402 5.062 4.660 0.000 0.000 0.264 514 W C 0.798 177.108 176.519 -0.348 0.000 1.233 514 W CA -0.064 57.222 57.345 -0.098 0.000 1.408 514 W CB 0.227 29.591 29.460 -0.159 0.000 1.038 514 W HN 0.608 nan 8.180 nan 0.000 0.603 515 R N 1.470 121.225 120.500 -1.242 0.000 2.774 515 R HA 0.478 4.818 4.340 0.000 0.000 0.272 515 R C -2.873 172.327 176.300 -1.833 0.000 1.000 515 R CA -2.105 53.144 56.100 -1.419 0.000 0.906 515 R CB 1.566 31.445 30.300 -0.701 0.000 1.227 515 R HN -0.341 nan 8.270 nan 0.000 0.468 516 P HA 0.007 nan 4.420 nan 0.000 0.264 516 P C 0.217 177.159 177.300 -0.597 0.000 1.183 516 P CA 1.553 64.052 63.100 -1.002 0.000 0.763 516 P CB 0.613 32.112 31.700 -0.334 0.000 0.807 517 G N 1.994 110.569 108.800 -0.374 0.000 2.198 517 G HA2 -0.226 3.734 3.960 0.000 0.000 0.257 517 G HA3 -0.226 3.734 3.960 0.000 0.000 0.257 517 G C 0.325 174.979 174.900 -0.410 0.000 1.042 517 G CA 0.030 44.963 45.100 -0.279 0.000 0.791 517 G HN 0.605 nan 8.290 nan 0.000 0.502 518 S N -0.948 114.345 115.700 -0.677 0.000 2.580 518 S HA 0.430 4.901 4.470 0.000 0.000 0.266 518 S C 1.914 176.230 174.600 -0.474 0.000 1.354 518 S CA 0.356 57.913 58.200 -1.072 0.000 1.008 518 S CB 1.159 63.378 63.200 -1.636 0.000 0.898 518 S HN 1.141 nan 8.310 nan 0.000 0.555 519 G N -0.045 108.622 108.800 -0.221 0.000 2.430 519 G HA2 0.244 4.204 3.960 0.000 0.000 0.216 519 G HA3 0.244 4.204 3.960 0.000 0.000 0.216 519 G C 0.047 175.160 174.900 0.355 0.000 1.146 519 G CA 0.618 45.856 45.100 0.230 0.000 0.793 519 G HN 0.636 nan 8.290 nan 0.000 0.537 520 F N -1.835 118.170 119.950 0.091 0.000 2.713 520 F HA 0.518 5.045 4.527 0.000 0.000 0.311 520 F C -0.369 175.513 175.800 0.136 0.000 1.141 520 F CA -1.437 56.625 58.000 0.103 0.000 0.939 520 F CB 0.513 39.601 39.000 0.146 0.000 1.325 520 F HN -0.050 nan 8.300 nan 0.000 0.453 521 T N 0.437 115.041 114.554 0.083 0.000 2.848 521 T HA 0.136 4.486 4.350 0.000 0.000 0.283 521 T C 0.571 175.281 174.700 0.017 0.000 0.919 521 T CA -0.169 61.935 62.100 0.006 0.000 1.071 521 T CB -0.451 68.457 68.868 0.068 0.000 0.912 521 T HN 0.800 nan 8.240 nan 0.000 0.570 522 N N 2.203 120.790 118.700 -0.189 0.000 2.398 522 N HA -0.027 4.713 4.740 0.000 0.000 0.188 522 N C -0.467 175.084 175.510 0.067 0.000 1.122 522 N CA -0.332 52.671 53.050 -0.078 0.000 0.866 522 N CB 0.314 38.638 38.487 -0.271 0.000 0.970 522 N HN 0.488 nan 8.380 nan 0.000 0.462 523 T N 1.586 116.184 114.554 0.074 0.000 2.792 523 T HA 0.421 4.771 4.350 0.000 0.000 0.280 523 T C -0.565 174.168 174.700 0.055 0.000 0.990 523 T CA -0.652 61.492 62.100 0.074 0.000 0.960 523 T CB 2.089 71.013 68.868 0.094 0.000 0.939 523 T HN 0.110 nan 8.240 nan 0.000 0.439 524 M N 4.362 123.987 119.600 0.041 0.000 2.393 524 M HA 0.624 5.104 4.480 0.000 0.000 0.299 524 M C -1.608 174.695 176.300 0.005 0.000 1.103 524 M CA -0.676 54.636 55.300 0.021 0.000 0.910 524 M CB 1.982 34.594 32.600 0.021 0.000 1.659 524 M HN 0.806 nan 8.290 nan 0.000 0.445 525 R N 2.948 123.441 120.500 -0.010 0.000 2.604 525 R HA 0.625 4.965 4.340 0.000 0.000 0.270 525 R C -2.006 174.272 176.300 -0.037 0.000 1.052 525 R CA -0.966 55.122 56.100 -0.020 0.000 0.902 525 R CB 1.348 31.638 30.300 -0.016 0.000 1.233 525 R HN 0.438 nan 8.270 nan 0.000 0.455 526 V N 2.575 122.465 119.914 -0.040 0.000 2.488 526 V HA 0.356 4.476 4.120 0.000 0.000 0.277 526 V C -0.009 176.050 176.094 -0.058 0.000 1.046 526 V CA -0.281 61.986 62.300 -0.054 0.000 0.986 526 V CB 1.204 32.998 31.823 -0.049 0.000 0.989 526 V HN 0.538 nan 8.190 nan 0.000 0.475 527 V N 6.571 126.438 119.914 -0.078 0.000 3.007 527 V HA 0.561 4.682 4.120 0.000 0.000 0.311 527 V C -2.481 173.551 176.094 -0.104 0.000 1.120 527 V CA -1.677 60.575 62.300 -0.080 0.000 0.980 527 V CB 2.778 34.553 31.823 -0.080 0.000 1.033 527 V HN 0.726 nan 8.190 nan 0.000 0.429 528 P HA 0.362 nan 4.420 nan 0.000 0.284 528 P C -0.810 176.424 177.300 -0.111 0.000 1.258 528 P CA -0.397 62.646 63.100 -0.094 0.000 0.824 528 P CB 1.771 33.435 31.700 -0.059 0.000 1.038 529 V N 5.151 124.984 119.914 -0.134 0.000 2.470 529 V HA 0.112 4.232 4.120 0.000 0.000 0.276 529 V C -1.223 174.855 176.094 -0.027 0.000 1.040 529 V CA -1.124 61.106 62.300 -0.118 0.000 1.008 529 V CB 0.155 31.899 31.823 -0.133 0.000 0.990 529 V HN 0.640 nan 8.190 nan 0.000 0.477 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.102 63.100 0.004 0.000 0.800 530 P CB 0.000 31.701 31.700 0.002 0.000 0.726