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_D 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 2.549 122.342 119.800 -0.012 0.000 3.055 13 Q HA 0.283 4.636 4.340 0.021 0.000 0.190 13 Q C 0.423 176.433 176.000 0.015 0.000 1.173 13 Q CA 0.257 56.066 55.803 0.010 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 -3.807 110.761 114.554 0.022 0.000 2.888 14 T HA 0.265 4.628 4.350 0.021 0.000 0.288 14 T C -0.399 174.318 174.700 0.028 0.000 1.063 14 T CA -0.980 61.133 62.100 0.022 0.000 1.010 14 T CB 1.484 70.364 68.868 0.020 0.000 1.214 14 T HN 0.632 nan 8.240 nan 0.000 0.533 15 Q N -0.104 119.713 119.800 0.027 0.000 2.461 15 Q HA -0.269 4.083 4.340 0.021 0.000 0.264 15 Q C -0.086 175.943 176.000 0.050 0.000 1.085 15 Q CA 0.746 56.570 55.803 0.035 0.000 1.006 15 Q CB -1.436 27.317 28.738 0.024 0.000 1.437 15 Q HN 0.809 nan 8.270 nan 0.000 0.514 16 Q N -1.580 118.243 119.800 0.039 0.000 2.461 16 Q HA -0.226 4.127 4.340 0.021 0.000 0.273 16 Q C 0.639 176.670 176.000 0.052 0.000 1.163 16 Q CA 1.242 57.064 55.803 0.032 0.000 0.929 16 Q CB -1.349 27.404 28.738 0.025 0.000 1.334 16 Q HN 0.712 nan 8.270 nan 0.000 0.499 17 L N -1.773 119.486 121.223 0.060 0.000 2.131 17 L HA -0.211 4.141 4.340 0.021 0.000 0.210 17 L C 2.088 179.000 176.870 0.069 0.000 1.092 17 L CA 1.641 56.517 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 0.370 119.436 119.070 -0.008 0.000 2.387 18 H HA -0.146 4.427 4.556 0.029 0.000 0.299 18 H C 2.083 177.396 175.328 -0.025 0.000 1.099 18 H CA 1.548 57.586 56.048 -0.017 0.000 1.315 18 H CB 0.125 29.868 29.762 -0.031 0.000 1.380 18 H HN 0.272 nan 8.280 nan 0.000 0.513 19 A N 0.536 123.254 122.820 -0.169 0.000 2.014 19 A HA 0.104 4.437 4.320 0.021 0.000 0.218 19 A C 2.583 180.158 177.584 -0.016 0.000 1.163 19 A CA 1.161 53.036 52.037 -0.270 0.000 0.652 19 A CB -1.070 17.660 19.000 -0.450 0.000 0.808 19 A HN 0.595 nan 8.150 nan 0.000 0.449 20 A N -0.517 122.352 122.820 0.083 0.000 1.978 20 A HA -0.127 4.205 4.320 0.021 0.000 0.220 20 A C 1.964 179.620 177.584 0.120 0.000 1.170 20 A CA 1.796 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 -0.073 119.529 119.600 0.004 0.000 2.686 21 M HA 0.150 4.642 4.480 0.021 0.000 0.246 21 M C 1.180 177.464 176.300 -0.026 0.000 1.096 21 M CA 0.191 55.479 55.300 -0.021 0.000 1.076 21 M CB -1.750 30.815 32.600 -0.059 0.000 1.504 21 M HN 0.398 nan 8.290 nan 0.000 0.524 22 A N 1.192 123.990 122.820 -0.037 0.000 2.520 22 A HA 0.029 4.362 4.320 0.021 0.000 0.235 22 A C 0.955 178.598 177.584 0.098 0.000 1.065 22 A CA 0.090 52.090 52.037 -0.060 0.000 0.764 22 A CB 0.311 19.178 19.000 -0.222 0.000 1.002 22 A HN 0.310 nan 8.150 nan 0.000 0.502 23 D N -0.192 120.242 120.400 0.056 0.000 2.197 23 D HA 0.021 4.674 4.640 0.021 0.000 0.212 23 D C 1.208 177.594 176.300 0.144 0.000 0.963 23 D CA 2.006 56.059 54.000 0.088 0.000 0.864 23 D CB -0.052 40.775 40.800 0.045 0.000 1.009 23 D HN 0.769 nan 8.370 nan 0.000 0.479 24 T N -2.619 111.996 114.554 0.101 0.000 2.937 24 T HA 0.337 4.700 4.350 0.021 0.000 0.283 24 T C 1.005 175.719 174.700 0.024 0.000 1.012 24 T CA -0.725 61.463 62.100 0.147 0.000 0.997 24 T CB 0.709 69.664 68.868 0.145 0.000 1.136 24 T HN -0.227 nan 8.240 nan 0.000 0.551 25 F N -0.302 119.737 119.950 0.149 0.000 2.098 25 F HA 0.163 4.705 4.527 0.025 0.000 0.294 25 F C 2.427 178.201 175.800 -0.044 0.000 1.107 25 F CA 0.658 58.674 58.000 0.027 0.000 1.234 25 F CB -0.571 38.501 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 -0.311 4.042 4.340 0.021 0.000 0.214 26 L C 2.373 179.246 176.870 0.006 0.000 1.076 26 L CA 1.777 56.669 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 -1.195 118.992 120.200 -0.022 0.000 2.015 27 E HA -0.320 4.043 4.350 0.021 0.000 0.191 27 E C 2.041 178.539 176.600 -0.170 0.000 0.991 27 E CA 1.436 57.788 56.400 -0.080 0.000 0.802 27 E CB -0.123 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 0.334 119.150 119.070 -0.423 0.000 2.321 28 H HA -0.208 4.359 4.556 0.018 0.000 0.295 28 H C 2.109 177.240 175.328 -0.329 0.000 1.102 28 H CA 2.429 58.116 56.048 -0.601 0.000 1.266 28 H CB -0.183 28.792 29.762 -1.311 0.000 1.363 28 H HN 0.132 nan 8.280 nan 0.000 0.492 29 M N -0.843 118.631 119.600 -0.211 0.000 2.065 29 M HA -0.228 4.265 4.480 0.021 0.000 0.259 29 M C 2.349 178.560 176.300 -0.149 0.000 1.071 29 M CA 2.092 57.305 55.300 -0.144 0.000 1.109 29 M CB -0.385 32.207 32.600 -0.014 0.000 1.313 29 M HN 0.488 nan 8.290 nan 0.000 0.408 30 C N 0.010 119.247 119.300 -0.105 0.000 2.410 30 C HA -0.144 4.329 4.460 0.021 0.000 0.281 30 C C 2.394 177.337 174.990 -0.078 0.000 1.318 30 C CA 0.976 59.950 59.018 -0.073 0.000 1.776 30 C CB -1.485 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 4.579 4.340 0.021 0.000 0.208 31 R C 0.242 176.485 176.300 -0.095 0.000 0.914 31 R CA -0.103 55.950 56.100 -0.079 0.000 1.060 31 R CB -0.091 30.119 30.300 -0.151 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 4.315 4.340 0.021 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 3.480 123.855 120.400 -0.042 0.000 2.481 33 D HA 0.206 4.858 4.640 0.021 0.000 0.246 33 D C 0.820 177.108 176.300 -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 42.296 40.800 -0.009 0.000 1.160 33 D HN 0.471 nan 8.370 nan 0.000 0.534 34 I N 0.072 120.631 120.570 -0.018 0.000 2.916 34 I HA -0.027 4.156 4.170 0.021 0.000 0.267 34 I C 0.311 176.423 176.117 -0.008 0.000 1.263 34 I CA 0.859 62.151 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 1.160 121.554 120.400 -0.010 0.000 2.340 35 D HA 0.069 4.721 4.640 0.021 0.000 0.217 35 D C 0.668 176.965 176.300 -0.004 0.000 1.081 35 D CA 0.342 54.337 54.000 -0.007 0.000 0.842 35 D CB 0.494 41.288 40.800 -0.011 0.000 0.934 35 D HN 0.254 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 4.948 4.470 0.021 0.000 0.308 36 S C 0.156 174.761 174.600 0.009 0.000 1.080 36 S CA -0.702 57.501 58.200 0.005 0.000 1.081 36 S CB 0.148 63.353 63.200 0.009 0.000 1.009 36 S HN 0.182 nan 8.310 nan 0.000 0.502 37 A N 7.717 130.543 122.820 0.011 0.000 2.520 37 A HA 0.433 4.765 4.320 0.021 0.000 0.245 37 A C -1.940 175.655 177.584 0.018 0.000 1.072 37 A CA -0.898 51.148 52.037 0.015 0.000 0.761 37 A CB -0.168 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 0.065 177.376 177.300 0.019 0.000 1.261 38 P CA -0.407 62.703 63.100 0.017 0.000 0.800 38 P CB 0.640 32.346 31.700 0.009 0.000 1.066 39 I N -2.366 118.211 120.570 0.013 0.000 3.322 39 I HA 0.202 4.385 4.170 0.021 0.000 0.296 39 I C 1.215 177.347 176.117 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 1.699 116.287 114.554 0.056 0.000 2.857 40 T HA 0.097 4.459 4.350 0.021 0.000 0.266 40 T C 1.005 175.776 174.700 0.117 0.000 1.048 40 T CA 0.989 63.168 62.100 0.131 0.000 1.139 40 T CB -0.262 68.745 68.868 0.232 0.000 0.874 40 T HN 0.739 nan 8.240 nan 0.000 0.455 41 A N 2.267 125.010 122.820 -0.128 0.000 2.488 41 A HA 0.391 4.724 4.320 0.021 0.000 0.249 41 A C 0.559 178.096 177.584 -0.079 0.000 1.083 41 A CA -0.166 51.678 52.037 -0.322 0.000 0.768 41 A CB 0.120 18.558 19.000 -0.936 0.000 1.017 41 A HN 0.247 nan 8.150 nan 0.000 0.496 42 R N 3.037 123.572 120.500 0.059 0.000 2.275 42 R HA 0.194 4.546 4.340 0.021 0.000 0.326 42 R C -0.232 176.123 176.300 0.092 0.000 0.973 42 R CA -0.222 55.894 56.100 0.028 0.000 0.854 42 R CB 0.220 30.505 30.300 -0.024 0.000 1.156 42 R HN 0.961 nan 8.270 nan 0.000 0.487 43 N N 0.874 119.612 118.700 0.063 0.000 2.331 43 N HA -0.052 4.700 4.740 0.021 0.000 0.180 43 N C -0.288 175.284 175.510 0.103 0.000 1.019 43 N CA 0.710 53.818 53.050 0.095 0.000 0.881 43 N CB 0.273 38.813 38.487 0.089 0.000 0.972 43 N HN 0.433 nan 8.380 nan 0.000 0.435 44 T N 0.819 115.421 114.554 0.079 0.000 2.814 44 T HA 0.233 4.595 4.350 0.021 0.000 0.297 44 T C 0.680 175.431 174.700 0.086 0.000 0.956 44 T CA -0.567 61.576 62.100 0.071 0.000 1.123 44 T CB 1.281 70.176 68.868 0.045 0.000 0.902 44 T HN 0.119 nan 8.240 nan 0.000 0.528 45 G N 2.655 111.508 108.800 0.088 0.000 2.441 45 G HA2 0.473 4.445 3.960 0.021 0.000 0.243 45 G HA3 0.473 4.445 3.960 0.021 0.000 0.243 45 G C -0.340 174.596 174.900 0.060 0.000 1.281 45 G CA -0.567 44.591 45.100 0.097 0.000 0.854 45 G HN 0.776 nan 8.290 nan 0.000 0.560 46 I N 2.320 122.917 120.570 0.045 0.000 2.355 46 I HA 0.266 4.449 4.170 0.021 0.000 0.288 46 I C -0.228 175.901 176.117 0.019 0.000 0.999 46 I CA -0.447 60.875 61.300 0.037 0.000 1.163 46 I CB 1.630 39.661 38.000 0.051 0.000 1.316 46 I HN 0.217 nan 8.210 nan 0.000 0.454 47 I N 5.832 126.428 120.570 0.042 0.000 2.315 47 I HA 0.287 4.469 4.170 0.021 0.000 0.291 47 I C -0.439 175.720 176.117 0.070 0.000 1.006 47 I CA -0.319 61.022 61.300 0.069 0.000 1.265 47 I CB 1.117 39.194 38.000 0.129 0.000 1.387 47 I HN 0.527 nan 8.210 nan 0.000 0.475 48 C N 4.273 123.607 119.300 0.057 0.000 2.322 48 C HA 0.384 4.856 4.460 0.021 0.000 0.324 48 C C 0.738 175.771 174.990 0.071 0.000 1.284 48 C CA -0.558 58.496 59.018 0.059 0.000 1.606 48 C CB 0.895 28.659 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 0.298 4.661 4.350 0.021 0.000 0.296 49 T C 0.381 175.133 174.700 0.085 0.000 0.949 49 T CA 0.002 62.158 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 0.358 nan 8.240 nan 0.000 0.516 50 I N 2.915 123.541 120.570 0.094 0.000 2.499 50 I HA 0.678 4.860 4.170 0.021 0.000 0.296 50 I C 0.998 177.193 176.117 0.131 0.000 0.992 50 I CA -0.098 61.258 61.300 0.093 0.000 1.297 50 I CB 0.915 38.963 38.000 0.079 0.000 1.410 50 I HN 0.814 nan 8.210 nan 0.000 0.507 51 G N 5.237 114.108 108.800 0.118 0.000 2.570 51 G HA2 0.376 4.348 3.960 0.021 0.000 0.310 51 G HA3 0.376 4.348 3.960 0.021 0.000 0.310 51 G C -2.705 172.270 174.900 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 2.992 66.142 63.100 0.083 0.000 0.914 52 P CB 0.045 31.772 31.700 0.045 0.000 0.793 53 A N -1.013 121.824 122.820 0.027 0.000 2.178 53 A HA -0.111 4.221 4.320 0.021 0.000 0.218 53 A C 1.802 179.395 177.584 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 4.710 4.470 0.021 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 2.884 123.394 120.500 0.017 0.000 2.103 55 R HA 0.017 4.369 4.340 0.021 0.000 0.242 55 R C 1.235 177.520 176.300 -0.025 0.000 1.142 55 R CA 1.271 57.361 56.100 -0.017 0.000 0.960 55 R CB -1.167 29.116 30.300 -0.029 0.000 0.858 55 R HN 0.576 nan 8.270 nan 0.000 0.439 56 S N 0.429 116.121 115.700 -0.013 0.000 2.593 56 S HA -0.041 4.441 4.470 0.021 0.000 0.300 56 S C 1.703 176.296 174.600 -0.011 0.000 1.267 56 S CA -0.278 57.913 58.200 -0.014 0.000 1.065 56 S CB 0.825 64.021 63.200 -0.007 0.000 0.807 56 S HN 0.041 nan 8.310 nan 0.000 0.499 57 V N 5.150 125.052 119.914 -0.019 0.000 2.407 57 V HA -0.088 4.044 4.120 0.021 0.000 0.248 57 V C 2.531 178.616 176.094 -0.016 0.000 1.055 57 V CA 1.993 64.280 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 0.818 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 4.208 4.350 0.021 0.000 0.191 58 E C 2.338 178.947 176.600 0.015 0.000 0.985 58 E CA 1.792 58.189 56.400 -0.005 0.000 0.801 58 E CB -0.702 28.994 29.700 -0.005 0.000 0.750 58 E HN 0.594 nan 8.360 nan 0.000 0.452 59 T N 2.079 116.641 114.554 0.013 0.000 2.684 59 T HA -0.145 4.217 4.350 0.021 0.000 0.267 59 T C 1.877 176.598 174.700 0.035 0.000 1.036 59 T CA 0.785 62.898 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 1.256 122.497 121.223 0.031 0.000 2.043 60 L HA -0.073 4.279 4.340 0.021 0.000 0.212 60 L C 2.318 179.238 176.870 0.084 0.000 1.075 60 L CA 1.686 56.553 54.840 0.044 0.000 0.752 60 L CB -0.768 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 4.118 4.320 0.021 0.000 0.207 61 K C 2.009 178.742 176.600 0.220 0.000 1.048 61 K CA 1.279 57.684 56.287 0.196 0.000 0.930 61 K CB -0.066 32.485 32.500 0.085 0.000 0.716 61 K HN 0.113 nan 8.250 nan 0.000 0.444 62 E N 0.482 120.754 120.200 0.119 0.000 2.204 62 E HA -0.061 4.301 4.350 0.021 0.000 0.194 62 E C 1.829 178.461 176.600 0.054 0.000 0.989 62 E CA 1.016 57.466 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 4.400 4.480 0.021 0.000 0.262 63 M C 2.286 178.590 176.300 0.006 0.000 1.067 63 M CA 1.155 56.473 55.300 0.029 0.000 1.124 63 M CB -0.620 31.999 32.600 0.032 0.000 1.353 63 M HN 0.145 nan 8.290 nan 0.000 0.410 64 I N 0.518 121.105 120.570 0.029 0.000 2.151 64 I HA -0.336 3.847 4.170 0.021 0.000 0.243 64 I C 2.313 178.366 176.117 -0.107 0.000 1.080 64 I CA 1.603 62.886 61.300 -0.027 0.000 1.339 64 I CB -0.478 37.557 38.000 0.058 0.000 1.039 64 I HN 0.323 nan 8.210 nan 0.000 0.409 65 K N 0.228 120.576 120.400 -0.088 0.000 2.209 65 K HA -0.089 4.243 4.320 0.021 0.000 0.204 65 K C 2.046 178.579 176.600 -0.112 0.000 1.048 65 K CA 1.217 57.427 56.287 -0.129 0.000 0.940 65 K CB -0.083 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 4.559 4.470 0.021 0.000 0.222 66 S C 1.160 175.674 174.600 -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 63.863 63.200 -0.037 0.000 0.772 66 S HN 0.618 nan 8.310 nan 0.000 0.529 67 G N 0.389 109.124 108.800 -0.108 0.000 2.425 67 G HA2 -0.145 3.828 3.960 0.021 0.000 0.177 67 G HA3 -0.145 3.828 3.960 0.021 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 0.983 120.552 119.600 -0.053 0.000 2.248 68 M HA 0.134 4.626 4.480 0.021 0.000 0.343 68 M C 1.094 177.301 176.300 -0.156 0.000 1.243 68 M CA 1.230 56.491 55.300 -0.066 0.000 1.025 68 M CB 0.155 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 1.481 120.055 118.700 -0.210 0.000 2.360 69 N HA 0.189 4.941 4.740 0.021 0.000 0.211 69 N C -1.151 174.096 175.510 -0.438 0.000 1.147 69 N CA -0.242 52.498 53.050 -0.516 0.000 0.866 69 N CB 1.174 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 0.923 120.734 119.914 -0.171 0.000 2.733 70 V HA 0.689 4.821 4.120 0.021 0.000 0.306 70 V C -1.205 174.880 176.094 -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 4.691 127.500 122.820 -0.018 0.000 2.249 71 A HA 0.734 5.066 4.320 0.021 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 3.651 124.165 120.500 0.024 0.000 2.221 72 R HA 0.463 4.816 4.340 0.021 0.000 0.327 72 R C -0.832 175.495 176.300 0.045 0.000 1.033 72 R CA -0.463 55.637 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 3.963 123.580 119.600 0.029 0.000 2.061 73 M HA 0.173 4.665 4.480 0.021 0.000 0.346 73 M C -0.480 175.900 176.300 0.133 0.000 1.112 73 M CA -0.947 54.414 55.300 0.103 0.000 1.021 73 M CB 0.663 33.377 32.600 0.190 0.000 1.530 73 M HN 0.458 nan 8.290 nan 0.000 0.437 74 N N 2.923 121.705 118.700 0.136 0.000 2.469 74 N HA 0.202 4.954 4.740 0.021 0.000 0.239 74 N C -0.406 175.217 175.510 0.187 0.000 1.053 74 N CA -0.222 52.948 53.050 0.199 0.000 0.937 74 N CB 0.135 38.751 38.487 0.214 0.000 1.163 74 N HN 0.331 nan 8.380 nan 0.000 0.509 75 F N 1.328 121.241 119.950 -0.062 0.000 2.802 75 F HA 0.086 4.625 4.527 0.020 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 0.014 0.000 1.431 75 F CB -0.373 38.607 39.000 -0.033 0.000 1.114 75 F HN 0.467 nan 8.300 nan 0.000 0.567 76 S N -1.542 114.290 115.700 0.220 0.000 2.481 76 S HA -0.032 4.451 4.470 0.021 0.000 0.231 76 S C 0.264 174.688 174.600 -0.293 0.000 0.996 76 S CA 0.674 58.889 58.200 0.024 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 -1.829 117.309 119.070 0.113 0.000 2.943 77 H HA 0.602 5.171 4.556 0.020 0.000 0.323 77 H C 0.276 175.598 175.328 -0.009 0.000 1.296 77 H CA -0.223 55.844 56.048 0.031 0.000 1.155 77 H CB 0.853 30.605 29.762 -0.016 0.000 1.882 77 H HN 0.210 nan 8.280 nan 0.000 0.553 78 G N 0.008 108.771 108.800 -0.061 0.000 2.814 78 G HA2 0.026 3.998 3.960 0.021 0.000 0.677 78 G HA3 0.026 3.998 3.960 0.021 0.000 0.677 78 G C -0.085 174.673 174.900 -0.236 0.000 1.429 78 G CA -0.320 44.560 45.100 -0.366 0.000 0.868 78 G HN 0.997 nan 8.290 nan 0.000 0.553 79 T N -3.026 111.373 114.554 -0.258 0.000 2.952 79 T HA 0.647 5.009 4.350 0.021 0.000 0.286 79 T C 1.239 175.888 174.700 -0.085 0.000 1.024 79 T CA 0.354 62.384 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 -0.261 118.663 119.070 -0.243 0.000 2.387 80 H HA -0.112 4.457 4.556 0.021 0.000 0.299 80 H C 2.145 177.367 175.328 -0.178 0.000 1.099 80 H CA 1.609 57.381 56.048 -0.461 0.000 1.315 80 H CB 0.311 29.671 29.762 -0.670 0.000 1.380 80 H HN 0.811 nan 8.280 nan 0.000 0.513 81 E N 0.546 120.777 120.200 0.051 0.000 2.085 81 E HA -0.227 4.135 4.350 0.021 0.000 0.194 81 E C 1.899 178.527 176.600 0.046 0.000 0.994 81 E CA 0.982 57.425 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 0.444 nan 8.360 nan 0.000 0.453 82 Y N 1.314 121.522 120.300 -0.154 0.000 2.070 82 Y HA -0.288 4.275 4.550 0.020 0.000 0.279 82 Y C 2.475 178.260 175.900 -0.192 0.000 1.134 82 Y CA 2.369 60.327 58.100 -0.237 0.000 1.113 82 Y CB -0.535 37.659 38.460 -0.442 0.000 0.981 82 Y HN 0.212 nan 8.280 nan 0.000 0.487 83 H N -0.411 118.688 119.070 0.049 0.000 2.387 83 H HA -0.135 4.434 4.556 0.021 0.000 0.299 83 H C 2.330 177.741 175.328 0.138 0.000 1.099 83 H CA 1.205 57.267 56.048 0.025 0.000 1.315 83 H CB -1.017 28.690 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 4.085 4.320 0.021 0.000 0.219 84 A C 2.400 180.050 177.584 0.110 0.000 1.182 84 A CA 2.029 54.269 52.037 0.337 0.000 0.633 84 A CB -0.458 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 -1.051 119.150 120.200 0.002 0.000 2.158 85 E HA -0.103 4.259 4.350 0.021 0.000 0.191 85 E C 1.906 178.443 176.600 -0.106 0.000 0.982 85 E CA 1.278 57.635 56.400 -0.072 0.000 0.823 85 E CB -0.096 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 1.497 115.957 114.554 -0.157 0.000 2.652 86 T HA -0.161 4.201 4.350 0.021 0.000 0.267 86 T C 1.903 176.592 174.700 -0.017 0.000 1.039 86 T CA 1.534 63.563 62.100 -0.118 0.000 1.153 86 T CB -0.258 68.565 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 -0.227 3.955 4.170 0.021 0.000 0.245 87 I C 2.642 178.766 176.117 0.011 0.000 1.097 87 I CA 1.431 62.753 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 1.242 121.644 120.400 0.004 0.000 2.032 88 K HA -0.226 4.106 4.320 0.021 0.000 0.209 88 K C 1.927 178.520 176.600 -0.011 0.000 1.048 88 K CA 1.911 58.195 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 0.920 119.606 118.700 -0.023 0.000 2.084 89 N HA -0.156 4.596 4.740 0.021 0.000 0.190 89 N C 2.003 177.509 175.510 -0.007 0.000 1.030 89 N CA 1.824 54.860 53.050 -0.024 0.000 0.849 89 N CB -0.656 37.808 38.487 -0.039 0.000 1.012 89 N HN 0.323 nan 8.380 nan 0.000 0.423 90 V N -0.199 119.716 119.914 0.002 0.000 2.392 90 V HA -0.174 3.958 4.120 0.021 0.000 0.249 90 V C 2.239 178.351 176.094 0.030 0.000 1.059 90 V CA 1.481 63.792 62.300 0.018 0.000 1.051 90 V CB -0.668 31.167 31.823 0.020 0.000 0.658 90 V HN 0.110 nan 8.190 nan 0.000 0.455 91 R N 0.328 120.843 120.500 0.026 0.000 2.075 91 R HA -0.070 4.283 4.340 0.021 0.000 0.232 91 R C 2.560 178.881 176.300 0.035 0.000 1.126 91 R CA 1.991 58.115 56.100 0.040 0.000 0.963 91 R CB -0.843 29.473 30.300 0.025 0.000 0.858 91 R HN 0.619 nan 8.270 nan 0.000 0.435 92 T N 0.903 115.461 114.554 0.007 0.000 2.652 92 T HA -0.179 4.183 4.350 0.021 0.000 0.267 92 T C 1.951 176.632 174.700 -0.033 0.000 1.039 92 T CA 1.531 63.622 62.100 -0.015 0.000 1.153 92 T CB -0.344 68.507 68.868 -0.028 0.000 0.863 92 T HN 0.389 nan 8.240 nan 0.000 0.428 93 A N 1.283 124.088 122.820 -0.025 0.000 1.892 93 A HA -0.183 4.149 4.320 0.021 0.000 0.218 93 A C 2.566 180.143 177.584 -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 0.129 114.744 114.554 0.101 0.000 2.595 94 T HA -0.126 4.236 4.350 0.021 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 -0.346 68.637 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 4.281 4.350 0.021 0.000 0.200 95 E C 2.415 179.044 176.600 0.048 0.000 1.023 95 E CA 0.861 57.368 56.400 0.178 0.000 0.857 95 E CB -0.605 29.137 29.700 0.070 0.000 0.775 95 E HN 0.678 nan 8.360 nan 0.000 0.525 96 S N -0.283 115.350 115.700 -0.111 0.000 2.442 96 S HA -0.106 4.377 4.470 0.021 0.000 0.236 96 S C 1.518 175.940 174.600 -0.296 0.000 1.007 96 S CA 0.580 58.607 58.200 -0.288 0.000 0.965 96 S CB -0.366 62.537 63.200 -0.494 0.000 0.773 96 S HN 0.156 nan 8.310 nan 0.000 0.504 97 F N 1.288 121.326 119.950 0.146 0.000 2.731 97 F HA 0.575 5.114 4.527 0.021 0.000 0.298 97 F C 2.385 178.324 175.800 0.233 0.000 1.106 97 F CA -0.489 57.615 58.000 0.174 0.000 1.329 97 F CB -0.637 38.471 39.000 0.180 0.000 1.100 97 F HN 0.240 nan 8.300 nan 0.000 0.592 98 A N -0.161 122.858 122.820 0.331 0.000 2.204 98 A HA -0.250 4.082 4.320 0.021 0.000 0.220 98 A C 2.395 179.959 177.584 -0.033 0.000 1.165 98 A CA 1.759 53.762 52.037 -0.056 0.000 0.671 98 A CB -0.982 17.907 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 4.290 4.470 0.021 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 0.197 4.850 4.640 0.021 0.000 0.260 100 D C -1.449 174.921 176.300 0.117 0.000 1.252 100 D CA -1.944 52.108 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 1.582 178.958 177.300 0.126 0.000 1.148 101 P CA 0.631 63.792 63.100 0.103 0.000 0.779 101 P CB 0.436 32.163 31.700 0.046 0.000 0.780 102 I N -1.102 119.518 120.570 0.084 0.000 2.716 102 I HA -0.076 4.107 4.170 0.021 0.000 0.259 102 I C 1.908 178.057 176.117 0.052 0.000 1.172 102 I CA 0.706 62.035 61.300 0.049 0.000 1.478 102 I CB -0.161 37.842 38.000 0.005 0.000 1.104 102 I HN -0.115 nan 8.210 nan 0.000 0.439 103 L N -0.524 120.747 121.223 0.080 0.000 2.664 103 L HA 0.119 4.472 4.340 0.021 0.000 0.233 103 L C 0.471 177.388 176.870 0.077 0.000 1.113 103 L CA 0.214 55.082 54.840 0.046 0.000 0.896 103 L CB -0.940 41.133 42.059 0.024 0.000 1.163 103 L HN 0.162 nan 8.230 nan 0.000 0.497 104 Y N 2.451 122.782 120.300 0.052 0.000 2.544 104 Y HA 0.186 4.749 4.550 0.021 0.000 0.330 104 Y C 0.335 176.268 175.900 0.055 0.000 1.136 104 Y CA -0.015 58.137 58.100 0.087 0.000 1.417 104 Y CB 0.300 38.829 38.460 0.115 0.000 1.229 104 Y HN 0.000 nan 8.280 nan 0.000 0.532 105 R N 7.807 127.940 120.500 -0.613 0.000 2.393 105 R HA 0.380 4.733 4.340 0.021 0.000 0.315 105 R C -2.642 173.222 176.300 -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 2.194 122.090 119.914 -0.030 0.000 2.482 107 V HA 0.538 4.670 4.120 0.021 0.000 0.295 107 V C 0.219 176.311 176.094 -0.005 0.000 1.026 107 V CA -0.920 61.330 62.300 -0.082 0.000 0.856 107 V CB 1.397 33.177 31.823 -0.071 0.000 1.001 107 V HN 0.678 nan 8.190 nan 0.000 0.424 108 A N 4.597 127.411 122.820 -0.010 0.000 2.386 108 A HA 0.709 5.041 4.320 0.021 0.000 0.248 108 A C -0.263 177.318 177.584 -0.006 0.000 1.082 108 A CA -0.227 51.832 52.037 0.037 0.000 0.789 108 A CB 0.760 19.810 19.000 0.083 0.000 1.025 108 A HN 0.747 nan 8.150 nan 0.000 0.490 109 V N 1.248 121.153 119.914 -0.014 0.000 2.409 109 V HA 0.612 4.745 4.120 0.021 0.000 0.291 109 V C 0.365 176.388 176.094 -0.119 0.000 1.020 109 V CA -0.029 62.241 62.300 -0.049 0.000 0.848 109 V CB 1.044 32.846 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 -0.208 0.000 2.342 110 A HA 0.860 5.193 4.320 0.021 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 1.341 19.792 19.000 -0.915 0.000 1.221 110 A HN 0.879 nan 8.150 nan 0.000 0.463 111 L N 2.371 123.330 121.223 -0.439 0.000 2.272 111 L HA 0.413 4.766 4.340 0.021 0.000 0.289 111 L C -0.841 175.823 176.870 -0.344 0.000 1.032 111 L CA -0.513 54.118 54.840 -0.348 0.000 0.810 111 L CB 1.022 42.817 42.059 -0.440 0.000 1.205 111 L HN 0.718 nan 8.230 nan 0.000 0.422 112 D N 3.915 124.224 120.400 -0.151 0.000 2.373 112 D HA 0.135 4.788 4.640 0.021 0.000 0.227 112 D C -0.352 175.978 176.300 0.049 0.000 1.091 112 D CA -0.217 53.787 54.000 0.007 0.000 0.840 112 D CB 1.361 42.242 40.800 0.134 0.000 1.060 112 D HN 0.463 nan 8.370 nan 0.000 0.502 113 T N 3.362 117.924 114.554 0.014 0.000 2.946 113 T HA -0.057 4.306 4.350 0.021 0.000 0.311 113 T C 0.621 175.390 174.700 0.115 0.000 1.063 113 T CA 0.174 62.295 62.100 0.035 0.000 1.139 113 T CB 0.651 69.537 68.868 0.030 0.000 0.994 113 T HN 0.225 nan 8.240 nan 0.000 0.547 114 K N 3.340 123.831 120.400 0.152 0.000 2.319 114 K HA 0.262 4.594 4.320 0.021 0.000 0.237 114 K C 0.740 177.445 176.600 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 32.478 32.500 0.154 0.000 1.734 114 K HN 0.769 nan 8.250 nan 0.000 0.429 115 G N 3.017 111.965 108.800 0.247 0.000 2.466 115 G HA2 0.013 3.986 3.960 0.021 0.000 0.279 115 G HA3 0.013 3.986 3.960 0.021 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 0.486 nan 8.290 nan 0.000 0.547 116 P HA 0.083 nan 4.420 nan 0.000 0.252 116 P C -0.467 176.594 177.300 -0.399 0.000 1.635 116 P CA 0.496 63.519 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 2.779 122.838 120.200 -0.234 0.000 2.244 117 E HA 0.575 4.938 4.350 0.021 0.000 0.266 117 E C -0.832 175.647 176.600 -0.201 0.000 0.914 117 E CA -1.265 54.960 56.400 -0.292 0.000 0.794 117 E CB 1.585 31.294 29.700 0.015 0.000 1.210 117 E HN 0.156 nan 8.360 nan 0.000 0.414 118 I N 1.814 122.257 120.570 -0.212 0.000 2.377 118 I HA 0.455 4.637 4.170 0.021 0.000 0.293 118 I C 0.220 176.295 176.117 -0.070 0.000 0.987 118 I CA -0.792 60.417 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 2.764 123.228 120.500 -0.061 0.000 2.771 119 R HA 0.518 4.870 4.340 0.021 0.000 0.274 119 R C -0.538 175.743 176.300 -0.031 0.000 0.987 119 R CA -0.771 55.323 56.100 -0.011 0.000 0.908 119 R CB 2.630 32.948 30.300 0.029 0.000 1.213 119 R HN 0.738 nan 8.270 nan 0.000 0.468 120 T N -1.469 113.111 114.554 0.043 0.000 2.824 120 T HA 0.514 4.876 4.350 0.021 0.000 0.277 120 T C 0.802 175.658 174.700 0.260 0.000 0.975 120 T CA -0.516 61.638 62.100 0.090 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 -0.021 109.051 108.800 0.452 0.000 2.543 121 G HA2 0.532 4.504 3.960 0.021 0.000 0.267 121 G HA3 0.532 4.504 3.960 0.021 0.000 0.267 121 G C -0.573 174.475 174.900 0.248 0.000 1.406 121 G CA -0.990 44.409 45.100 0.499 0.000 1.048 121 G HN 0.651 nan 8.290 nan 0.000 0.548 122 L N 0.212 121.531 121.223 0.159 0.000 2.375 122 L HA 0.411 4.764 4.340 0.021 0.000 0.271 122 L C 0.628 177.558 176.870 0.100 0.000 1.107 122 L CA -0.281 54.621 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 1.991 122.613 120.570 0.088 0.000 2.532 123 I HA 0.137 4.319 4.170 0.021 0.000 0.292 123 I C 1.770 177.926 176.117 0.065 0.000 1.014 123 I CA -0.195 61.156 61.300 0.084 0.000 1.340 123 I CB 1.083 39.134 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 -0.289 4.044 4.320 0.021 0.000 0.217 124 K C 1.555 178.178 176.600 0.038 0.000 1.010 124 K CA 2.889 59.208 56.287 0.054 0.000 0.937 124 K CB -1.642 30.890 32.500 0.054 0.000 0.892 124 K HN 1.303 nan 8.250 nan 0.000 0.481 125 G N -3.170 105.653 108.800 0.038 0.000 2.981 125 G HA2 -0.185 3.787 3.960 0.021 0.000 0.199 125 G HA3 -0.185 3.787 3.960 0.021 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 1.737 nan 8.290 nan 0.000 0.538 126 S N 1.393 117.107 115.700 0.023 0.000 2.631 126 S HA 0.472 4.954 4.470 0.021 0.000 0.217 126 S C 1.627 176.243 174.600 0.027 0.000 0.958 126 S CA 1.203 59.415 58.200 0.020 0.000 0.920 126 S CB 0.658 63.868 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 4.381 3.960 0.021 0.000 0.288 127 G HA3 0.409 4.381 3.960 0.021 0.000 0.288 127 G C 0.325 175.259 174.900 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 4.098 4.350 0.021 0.000 0.269 128 T C 1.712 176.427 174.700 0.025 0.000 2.195 128 T CA 1.264 63.372 62.100 0.014 0.000 3.732 128 T CB -1.782 67.086 68.868 -0.001 0.000 0.680 128 T HN 1.972 nan 8.240 nan 0.000 1.131 129 A N -0.300 122.542 122.820 0.038 0.000 2.869 129 A HA -0.235 4.098 4.320 0.021 0.000 0.272 129 A C 0.287 177.910 177.584 0.066 0.000 1.332 129 A CA 2.296 54.360 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 0.873 nan 8.150 nan 0.000 0.696 130 E N -0.844 119.407 120.200 0.086 0.000 2.378 130 E HA 0.442 4.805 4.350 0.021 0.000 0.282 130 E C -0.203 176.527 176.600 0.217 0.000 0.910 130 E CA -0.566 55.920 56.400 0.142 0.000 0.816 130 E CB 1.832 31.610 29.700 0.131 0.000 1.359 130 E HN 0.236 nan 8.360 nan 0.000 0.397 131 V N 1.298 121.323 119.914 0.184 0.000 3.751 131 V HA 0.452 4.584 4.120 0.021 0.000 0.279 131 V C 0.710 176.912 176.094 0.181 0.000 1.010 131 V CA 0.185 62.581 62.300 0.161 0.000 1.015 131 V CB 1.001 32.873 31.823 0.082 0.000 1.240 131 V HN 0.828 nan 8.190 nan 0.000 0.438 132 E N 1.077 121.274 120.200 -0.004 0.000 2.731 132 E HA 0.512 4.874 4.350 0.021 0.000 0.248 132 E C -1.080 175.360 176.600 -0.268 0.000 1.084 132 E CA -0.666 55.517 56.400 -0.361 0.000 0.776 132 E CB 0.770 30.196 29.700 -0.457 0.000 1.404 132 E HN 0.462 nan 8.360 nan 0.000 0.395 133 L N 1.556 122.647 121.223 -0.220 0.000 2.418 133 L HA 0.486 4.839 4.340 0.021 0.000 0.274 133 L C 0.988 177.757 176.870 -0.170 0.000 1.135 133 L CA -0.114 54.640 54.840 -0.143 0.000 0.870 133 L CB -0.363 41.637 42.059 -0.097 0.000 1.154 133 L HN 0.714 nan 8.230 nan 0.000 0.462 134 K N 2.452 122.777 120.400 -0.125 0.000 2.172 134 K HA 0.578 4.910 4.320 0.021 0.000 0.276 134 K C 0.542 177.096 176.600 -0.077 0.000 1.013 134 K CA -0.380 55.842 56.287 -0.107 0.000 0.913 134 K CB 0.124 32.576 32.500 -0.080 0.000 1.055 134 K HN 0.653 nan 8.250 nan 0.000 0.461 135 K N 0.753 121.112 120.400 -0.068 0.000 2.320 135 K HA 0.416 4.748 4.320 0.021 0.000 0.273 135 K C 1.392 177.968 176.600 -0.040 0.000 1.146 135 K CA 0.715 56.973 56.287 -0.049 0.000 1.144 135 K CB -1.286 31.192 32.500 -0.037 0.000 0.878 135 K HN 2.245 nan 8.250 nan 0.000 0.458 136 G N -0.165 108.610 108.800 -0.041 0.000 2.284 136 G HA2 0.187 4.159 3.960 0.021 0.000 0.201 136 G HA3 0.187 4.159 3.960 0.021 0.000 0.201 136 G C 0.718 175.597 174.900 -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 0.658 4.990 4.320 0.021 0.000 0.246 137 A C 0.717 178.280 177.584 -0.035 0.000 1.099 137 A CA 1.431 53.446 52.037 -0.036 0.000 0.789 137 A CB 0.347 19.321 19.000 -0.042 0.000 1.053 137 A HN 1.256 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 4.914 4.350 0.021 0.000 0.282 138 T C -0.787 173.899 174.700 -0.024 0.000 0.990 138 T CA -0.394 61.691 62.100 -0.026 0.000 1.028 138 T CB -0.028 68.830 68.868 -0.016 0.000 0.951 138 T HN 0.534 nan 8.240 nan 0.000 0.460 139 L N 4.775 125.982 121.223 -0.027 0.000 2.409 139 L HA 0.590 4.943 4.340 0.021 0.000 0.272 139 L C -0.570 176.292 176.870 -0.014 0.000 0.980 139 L CA -0.875 53.952 54.840 -0.022 0.000 0.826 139 L CB 1.709 43.750 42.059 -0.030 0.000 1.268 139 L HN 0.611 nan 8.230 nan 0.000 0.407 140 K N 5.891 126.292 120.400 0.001 0.000 2.253 140 K HA 0.479 4.812 4.320 0.021 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 0.867 33.404 32.500 0.062 0.000 1.102 140 K HN 0.563 nan 8.250 nan 0.000 0.469 141 I N 3.366 123.953 120.570 0.028 0.000 2.395 141 I HA 0.101 4.283 4.170 0.021 0.000 0.289 141 I C 0.415 176.581 176.117 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 0.638 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 4.893 4.350 0.021 0.000 0.291 142 T C 0.316 175.136 174.700 0.201 0.000 1.028 142 T CA -0.587 61.621 62.100 0.180 0.000 0.995 142 T CB 1.304 70.279 68.868 0.179 0.000 1.051 142 T HN 0.492 nan 8.240 nan 0.000 0.470 143 L N 1.944 123.301 121.223 0.225 0.000 2.664 143 L HA 0.346 4.698 4.340 0.021 0.000 0.233 143 L C 0.563 177.730 176.870 0.496 0.000 1.113 143 L CA -0.176 54.782 54.840 0.197 0.000 0.896 143 L CB 0.222 42.323 42.059 0.070 0.000 1.163 143 L HN 0.650 nan 8.230 nan 0.000 0.497 144 D N 0.610 121.294 120.400 0.473 0.000 2.363 144 D HA -0.061 4.592 4.640 0.021 0.000 0.263 144 D C 0.908 177.359 176.300 0.251 0.000 1.258 144 D CA 0.296 54.505 54.000 0.349 0.000 0.907 144 D CB 0.305 41.294 40.800 0.314 0.000 1.107 144 D HN 0.121 nan 8.370 nan 0.000 0.495 145 N N 3.052 121.815 118.700 0.105 0.000 2.659 145 N HA -0.203 4.549 4.740 0.021 0.000 0.194 145 N C 1.312 176.572 175.510 -0.418 0.000 1.140 145 N CA 0.379 53.264 53.050 -0.274 0.000 0.936 145 N CB 0.147 38.569 38.487 -0.108 0.000 0.970 145 N HN 0.513 nan 8.380 nan 0.000 0.449 146 A N 0.699 123.325 122.820 -0.324 0.000 1.872 146 A HA -0.110 4.222 4.320 0.021 0.000 0.214 146 A C 1.171 178.427 177.584 -0.545 0.000 1.187 146 A CA 0.961 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 -0.507 119.682 120.300 -0.185 0.000 2.477 147 Y HA 0.170 4.733 4.550 0.021 0.000 0.303 147 Y C 1.942 177.695 175.900 -0.245 0.000 1.202 147 Y CA 0.337 58.363 58.100 -0.123 0.000 1.282 147 Y CB -0.662 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 0.350 119.612 119.600 -0.563 0.000 2.192 148 M HA -0.282 4.211 4.480 0.021 0.000 0.259 148 M C 0.510 176.602 176.300 -0.346 0.000 1.071 148 M CA 2.083 56.788 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 -0.841 119.243 120.200 -0.193 0.000 2.812 149 E HA 0.143 4.505 4.350 0.021 0.000 0.211 149 E C -0.302 176.296 176.600 -0.003 0.000 0.986 149 E CA -0.045 56.315 56.400 -0.068 0.000 1.119 149 E CB 0.761 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 0.927 121.354 120.400 0.045 0.000 2.992 150 K HA 0.363 4.695 4.320 0.021 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 0.095 0.000 0.926 150 K CB -0.376 32.181 32.500 0.095 0.000 1.121 150 K HN 0.098 nan 8.250 nan 0.000 0.610 151 C N 3.210 122.590 119.300 0.134 0.000 2.265 151 C HA 0.595 5.068 4.460 0.021 0.000 0.332 151 C C 0.043 175.088 174.990 0.091 0.000 1.248 151 C CA -1.023 58.074 59.018 0.132 0.000 1.727 151 C CB -0.304 27.527 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 4.778 4.640 0.021 0.000 0.273 152 D C 0.664 176.983 176.300 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 -0.667 119.546 120.200 0.021 0.000 2.511 153 E HA -0.056 4.306 4.350 0.021 0.000 0.196 153 E C 0.137 176.733 176.600 -0.007 0.000 1.066 153 E CA 0.465 56.868 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 -1.080 117.615 118.700 -0.009 0.000 2.419 154 N HA 0.143 4.895 4.740 0.021 0.000 0.216 154 N C -0.726 174.761 175.510 -0.038 0.000 1.118 154 N CA -0.057 52.980 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 1.270 121.812 120.570 -0.046 0.000 2.378 155 I HA 0.406 4.588 4.170 0.021 0.000 0.291 155 I C -1.203 174.918 176.117 0.006 0.000 0.992 155 I CA -0.803 60.446 61.300 -0.085 0.000 1.154 155 I CB 1.691 39.562 38.000 -0.216 0.000 1.315 155 I HN -0.064 nan 8.210 nan 0.000 0.448 156 L N 7.296 128.542 121.223 0.038 0.000 2.476 156 L HA 0.545 4.898 4.340 0.021 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 1.451 43.545 42.059 0.058 0.000 1.259 156 L HN 0.655 nan 8.230 nan 0.000 0.403 157 W N 7.136 128.471 121.300 0.059 0.000 2.551 157 W HA 0.704 5.376 4.660 0.021 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 31.067 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 4.879 4.340 0.021 0.000 0.262 158 L C 0.353 176.395 176.870 -1.381 0.000 0.992 158 L CA -0.883 53.459 54.840 -0.829 0.000 0.817 158 L CB 1.676 43.533 42.059 -0.337 0.000 1.350 158 L HN 0.539 nan 8.230 nan 0.000 0.411 159 D N -0.686 119.137 120.400 -0.962 0.000 2.371 159 D HA -0.138 4.514 4.640 0.021 0.000 0.221 159 D C 0.322 176.504 176.300 -0.196 0.000 0.986 159 D CA 0.694 54.339 54.000 -0.591 0.000 0.899 159 D CB -0.381 40.312 40.800 -0.178 0.000 0.902 159 D HN 0.534 nan 8.370 nan 0.000 0.530 160 Y N 2.329 122.442 120.300 -0.311 0.000 2.613 160 Y HA 0.181 4.744 4.550 0.021 0.000 0.354 160 Y C 1.007 176.813 175.900 -0.156 0.000 1.063 160 Y CA -1.199 56.789 58.100 -0.186 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 3.043 123.277 120.400 -0.277 0.000 2.057 161 K HA -0.183 4.149 4.320 0.021 0.000 0.207 161 K C 0.687 177.019 176.600 -0.447 0.000 1.049 161 K CA 1.486 57.606 56.287 -0.277 0.000 0.931 161 K CB -0.208 32.218 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 4.795 4.740 0.021 0.000 0.201 162 N C 1.461 176.505 175.510 -0.777 0.000 1.198 162 N CA -0.226 52.440 53.050 -0.640 0.000 0.838 162 N CB -0.058 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 0.118 120.125 120.570 -0.938 0.000 2.248 163 I HA -0.361 3.821 4.170 0.021 0.000 0.248 163 I C 1.502 177.527 176.117 -0.153 0.000 1.107 163 I CA 1.323 62.403 61.300 -0.366 0.000 1.373 163 I CB 0.028 37.956 38.000 -0.119 0.000 1.055 163 I HN 0.281 nan 8.210 nan 0.000 0.418 164 C N 0.433 119.627 119.300 -0.177 0.000 2.500 164 C HA -0.055 4.418 4.460 0.021 0.000 0.273 164 C C 2.351 177.286 174.990 -0.091 0.000 1.428 164 C CA 0.358 59.307 59.018 -0.116 0.000 1.766 164 C CB -1.245 26.433 27.740 -0.105 0.000 1.817 164 C HN 0.452 nan 8.230 nan 0.000 0.543 165 K N 0.440 120.778 120.400 -0.104 0.000 2.444 165 K HA 0.134 4.466 4.320 0.021 0.000 0.193 165 K C 0.950 177.533 176.600 -0.028 0.000 1.024 165 K CA 0.517 56.765 56.287 -0.065 0.000 1.077 165 K CB 0.246 32.701 32.500 -0.075 0.000 0.833 165 K HN 0.322 nan 8.250 nan 0.000 0.517 166 V N 0.683 120.590 119.914 -0.012 0.000 3.537 166 V HA 0.135 4.268 4.120 0.021 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 -1.432 118.476 119.914 -0.009 0.000 2.419 167 V HA 0.692 4.825 4.120 0.021 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 33.134 31.823 -0.016 0.000 1.011 167 V HN 0.137 nan 8.190 nan 0.000 0.429 168 D N 2.666 123.043 120.400 -0.039 0.000 2.387 168 D HA 0.434 5.086 4.640 0.021 0.000 0.251 168 D C 0.289 176.557 176.300 -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 0.717 120.595 119.914 -0.060 0.000 2.644 169 V HA 0.282 4.414 4.120 0.021 0.000 0.305 169 V C 1.591 177.655 176.094 -0.049 0.000 1.053 169 V CA 1.605 63.868 62.300 -0.062 0.000 1.186 169 V CB 0.363 32.150 31.823 -0.059 0.000 0.895 169 V HN 0.994 nan 8.190 nan 0.000 0.490 170 G N 3.542 112.310 108.800 -0.053 0.000 2.313 170 G HA2 -0.240 3.732 3.960 0.021 0.000 0.215 170 G HA3 -0.240 3.732 3.960 0.021 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 0.762 116.437 115.700 -0.042 0.000 2.573 171 S HA 0.581 5.063 4.470 0.021 0.000 0.277 171 S C -0.036 174.529 174.600 -0.058 0.000 1.346 171 S CA 0.341 58.520 58.200 -0.034 0.000 1.034 171 S CB 1.625 64.810 63.200 -0.025 0.000 0.879 171 S HN 0.443 nan 8.310 nan 0.000 0.528 172 K N 0.747 121.117 120.400 -0.050 0.000 2.159 172 K HA 0.611 4.943 4.320 0.021 0.000 0.266 172 K C -0.921 175.586 176.600 -0.157 0.000 0.975 172 K CA -0.695 55.500 56.287 -0.154 0.000 0.865 172 K CB 1.758 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 5.114 124.862 119.914 -0.276 0.000 2.407 173 V HA 0.453 4.586 4.120 0.021 0.000 0.291 173 V C -1.586 174.340 176.094 -0.281 0.000 1.018 173 V CA -0.581 61.624 62.300 -0.158 0.000 0.842 173 V CB 0.304 32.072 31.823 -0.092 0.000 0.996 173 V HN 0.618 nan 8.190 nan 0.000 0.426 174 Y N 4.491 124.785 120.300 -0.010 0.000 2.320 174 Y HA 0.718 5.280 4.550 0.021 0.000 0.324 174 Y C 0.320 176.222 175.900 0.003 0.000 1.190 174 Y CA -0.563 57.536 58.100 -0.000 0.000 1.215 174 Y CB 1.923 40.387 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 4.424 4.120 0.021 0.000 0.308 175 V C -0.800 175.357 176.094 0.106 0.000 1.062 175 V CA -1.254 61.103 62.300 0.096 0.000 0.901 175 V CB 1.712 33.566 31.823 0.051 0.000 1.003 175 V HN 0.868 nan 8.190 nan 0.000 0.425 176 D N 3.766 124.225 120.400 0.100 0.000 3.515 176 D HA -0.166 4.486 4.640 0.021 0.000 0.247 176 D C 0.263 176.621 176.300 0.097 0.000 1.084 176 D CA 1.286 55.345 54.000 0.097 0.000 1.030 176 D CB -0.789 40.066 40.800 0.092 0.000 0.946 176 D HN 1.103 nan 8.370 nan 0.000 0.420 177 D N 0.947 121.404 120.400 0.094 0.000 2.689 177 D HA -0.158 4.495 4.640 0.021 0.000 0.237 177 D C 1.210 177.554 176.300 0.073 0.000 1.148 177 D CA 2.701 56.747 54.000 0.076 0.000 0.656 177 D CB -1.182 39.658 40.800 0.068 0.000 1.050 177 D HN 1.141 nan 8.370 nan 0.000 0.426 178 G N -0.787 108.075 108.800 0.102 0.000 2.243 178 G HA2 -0.386 3.586 3.960 0.021 0.000 0.276 178 G HA3 -0.386 3.586 3.960 0.021 0.000 0.276 178 G C 1.290 176.296 174.900 0.176 0.000 0.997 178 G CA 0.783 45.967 45.100 0.140 0.000 0.693 178 G HN 0.594 nan 8.290 nan 0.000 0.529 179 L N -0.852 120.446 121.223 0.125 0.000 2.191 179 L HA 0.171 4.523 4.340 0.021 0.000 0.212 179 L C 1.481 178.417 176.870 0.111 0.000 1.103 179 L CA 0.875 55.778 54.840 0.105 0.000 0.769 179 L CB -0.121 41.989 42.059 0.084 0.000 0.908 179 L HN 0.309 nan 8.230 nan 0.000 0.438 180 I N -0.402 120.238 120.570 0.117 0.000 2.406 180 I HA 0.178 4.360 4.170 0.021 0.000 0.290 180 I C 0.007 176.148 176.117 0.041 0.000 0.999 180 I CA -0.314 61.024 61.300 0.064 0.000 1.124 180 I CB 1.836 39.855 38.000 0.031 0.000 1.289 180 I HN -0.011 nan 8.210 nan 0.000 0.441 181 S N 7.336 123.005 115.700 -0.052 0.000 2.568 181 S HA 0.873 5.355 4.470 0.021 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 1.997 64.985 63.200 -0.353 0.000 1.069 181 S HN 0.500 nan 8.310 nan 0.000 0.500 182 L N 1.383 122.405 121.223 -0.335 0.000 2.422 182 L HA 0.574 4.926 4.340 0.021 0.000 0.264 182 L C -0.643 176.100 176.870 -0.211 0.000 0.984 182 L CA -0.660 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 1.880 121.593 119.800 -0.144 0.000 2.348 183 Q HA 0.404 4.756 4.340 0.021 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 4.058 4.120 0.021 0.000 0.279 184 V C 0.982 177.025 176.094 -0.086 0.000 0.990 184 V CA 0.471 62.713 62.300 -0.097 0.000 1.116 184 V CB 0.215 31.979 31.823 -0.098 0.000 0.977 184 V HN 0.781 nan 8.190 nan 0.000 0.470 185 K N 3.128 123.477 120.400 -0.085 0.000 2.166 185 K HA 0.093 4.426 4.320 0.021 0.000 0.201 185 K C 0.735 177.289 176.600 -0.078 0.000 1.052 185 K CA 0.773 57.019 56.287 -0.069 0.000 0.969 185 K CB 0.285 32.752 32.500 -0.055 0.000 0.761 185 K HN 0.769 nan 8.250 nan 0.000 0.459 186 Q N 0.537 120.271 119.800 -0.110 0.000 2.340 186 Q HA 0.238 4.591 4.340 0.021 0.000 0.276 186 Q C -1.245 174.615 176.000 -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 0.796 5.129 4.320 0.021 0.000 0.237 187 K C -0.475 175.860 176.600 -0.441 0.000 1.040 187 K CA 0.518 56.641 56.287 -0.272 0.000 0.912 187 K CB 1.026 33.433 32.500 -0.154 0.000 1.137 187 K HN 0.713 nan 8.250 nan 0.000 0.498 188 G N -0.330 108.226 108.800 -0.406 0.000 2.550 188 G HA2 0.283 4.255 3.960 0.021 0.000 0.293 188 G HA3 0.283 4.255 3.960 0.021 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 1.770 64.951 63.100 0.135 0.000 0.869 189 P CB 0.326 32.114 31.700 0.146 0.000 0.782 190 D N -1.779 118.755 120.400 0.224 0.000 2.582 190 D HA 0.205 4.857 4.640 0.021 0.000 0.246 190 D C 0.070 176.525 176.300 0.257 0.000 1.334 190 D CA -0.625 53.473 54.000 0.162 0.000 0.805 190 D CB -0.506 40.373 40.800 0.130 0.000 1.087 190 D HN 0.197 nan 8.370 nan 0.000 0.499 191 F N -0.515 119.425 119.950 -0.016 0.000 2.685 191 F HA 0.773 5.313 4.527 0.021 0.000 0.315 191 F C -2.357 173.425 175.800 -0.031 0.000 1.126 191 F CA -1.837 56.151 58.000 -0.019 0.000 0.950 191 F CB 1.177 40.171 39.000 -0.010 0.000 1.360 191 F HN -0.206 nan 8.300 nan 0.000 0.469 192 L N 2.798 123.814 121.223 -0.345 0.000 2.505 192 L HA 0.600 4.953 4.340 0.021 0.000 0.266 192 L C -1.308 175.424 176.870 -0.230 0.000 0.954 192 L CA -1.133 53.450 54.840 -0.429 0.000 0.852 192 L CB 2.042 43.963 42.059 -0.230 0.000 1.282 192 L HN 0.791 nan 8.230 nan 0.000 0.403 193 V N 2.885 122.655 119.914 -0.241 0.000 2.394 193 V HA 0.763 4.895 4.120 0.021 0.000 0.282 193 V C 0.111 176.151 176.094 -0.090 0.000 1.031 193 V CA 0.243 62.495 62.300 -0.080 0.000 0.881 193 V CB 1.767 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 2.589 117.104 114.554 -0.065 0.000 2.888 194 T HA 0.606 4.968 4.350 0.021 0.000 0.288 194 T C -0.667 173.998 174.700 -0.059 0.000 1.063 194 T CA -0.736 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 0.848 121.009 120.200 -0.065 0.000 2.176 195 E HA 0.511 4.873 4.350 0.021 0.000 0.267 195 E C -0.933 175.627 176.600 -0.068 0.000 0.893 195 E CA -0.953 55.413 56.400 -0.057 0.000 0.761 195 E CB 1.634 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 5.483 125.360 119.914 -0.061 0.000 2.485 196 V HA -0.033 4.099 4.120 0.021 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 0.706 32.491 31.823 -0.063 0.000 0.967 196 V HN 0.830 nan 8.190 nan 0.000 0.479 197 E N 3.060 123.216 120.200 -0.072 0.000 2.094 197 E HA 0.085 4.447 4.350 0.021 0.000 0.193 197 E C 0.178 176.754 176.600 -0.039 0.000 0.950 197 E CA 0.195 56.561 56.400 -0.056 0.000 0.842 197 E CB 0.207 29.866 29.700 -0.068 0.000 0.816 197 E HN 0.612 nan 8.360 nan 0.000 0.465 198 N N 1.677 120.354 118.700 -0.037 0.000 2.439 198 N HA 0.185 4.937 4.740 0.021 0.000 0.249 198 N C -0.092 175.399 175.510 -0.033 0.000 1.003 198 N CA 0.038 53.079 53.050 -0.015 0.000 0.942 198 N CB 1.589 40.088 38.487 0.020 0.000 1.115 198 N HN 0.062 nan 8.380 nan 0.000 0.505 199 G N 0.325 109.097 108.800 -0.045 0.000 2.684 199 G HA2 0.525 4.498 3.960 0.021 0.000 0.255 199 G HA3 0.525 4.498 3.960 0.021 0.000 0.255 199 G C 0.286 175.133 174.900 -0.089 0.000 1.219 199 G CA 0.114 45.164 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 2.337 200 G HA2 0.371 4.344 3.960 0.021 0.000 0.298 200 G HA3 0.371 4.344 3.960 0.021 0.000 0.298 200 G C -1.481 173.240 174.900 -0.299 0.000 1.335 200 G CA -1.020 43.985 45.100 -0.157 0.000 0.875 200 G HN 0.508 nan 8.290 nan 0.000 0.579 201 F N 0.895 120.861 119.950 0.026 0.000 2.303 201 F HA 0.472 5.011 4.527 0.020 0.000 0.368 201 F C 0.721 176.540 175.800 0.032 0.000 1.105 201 F CA -0.640 57.376 58.000 0.027 0.000 1.153 201 F CB 1.396 40.411 39.000 0.025 0.000 1.362 201 F HN 0.403 nan 8.300 nan 0.000 0.511 202 L N 3.451 124.755 121.223 0.135 0.000 2.525 202 L HA 0.372 4.724 4.340 0.021 0.000 0.278 202 L C 0.594 177.544 176.870 0.133 0.000 1.218 202 L CA 0.463 55.370 54.840 0.112 0.000 0.878 202 L CB 0.011 42.114 42.059 0.074 0.000 1.127 202 L HN 0.576 nan 8.230 nan 0.000 0.492 203 G N 3.031 111.900 108.800 0.115 0.000 2.568 203 G HA2 0.515 4.487 3.960 0.021 0.000 0.293 203 G HA3 0.515 4.487 3.960 0.021 0.000 0.293 203 G C -0.904 174.056 174.900 0.101 0.000 1.347 203 G CA -0.619 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 4.839 4.470 0.021 0.000 0.283 204 S C 0.316 174.988 174.600 0.119 0.000 1.196 204 S CA -0.462 57.800 58.200 0.104 0.000 1.062 204 S CB 1.241 64.493 63.200 0.087 0.000 1.009 204 S HN 0.706 nan 8.310 nan 0.000 0.502 205 K N 1.595 122.080 120.400 0.141 0.000 3.730 205 K HA -0.186 4.146 4.320 0.021 0.000 0.276 205 K C -0.824 175.863 176.600 0.145 0.000 0.904 205 K CA 0.680 57.058 56.287 0.152 0.000 0.741 205 K CB -0.731 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 0.470 120.943 120.400 0.123 0.000 2.095 206 K HA 0.354 4.686 4.320 0.021 0.000 0.252 206 K C 0.656 177.314 176.600 0.097 0.000 0.977 206 K CA -0.001 56.356 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 0.286 109.147 108.800 0.103 0.000 2.483 207 G HA2 0.358 4.330 3.960 0.021 0.000 0.248 207 G HA3 0.358 4.330 3.960 0.021 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 0.214 nan 8.290 nan 0.000 0.566 208 V N 3.064 122.997 119.914 0.030 0.000 2.604 208 V HA 0.394 4.526 4.120 0.021 0.000 0.305 208 V C -0.464 175.635 176.094 0.008 0.000 1.043 208 V CA -1.116 61.199 62.300 0.024 0.000 0.888 208 V CB 1.842 33.658 31.823 -0.011 0.000 0.995 208 V HN 0.744 nan 8.190 nan 0.000 0.429 209 N N 4.506 123.247 118.700 0.068 0.000 2.342 209 N HA 0.546 5.298 4.740 0.021 0.000 0.293 209 N C -1.086 174.486 175.510 0.104 0.000 1.026 209 N CA -0.462 52.625 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 3.300 124.538 121.223 0.026 0.000 2.599 210 L HA 0.312 4.664 4.340 0.021 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 0.723 42.775 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 0.608 177.927 177.300 0.032 0.000 1.195 211 P CA 0.644 63.770 63.100 0.043 0.000 0.768 211 P CB 0.880 32.597 31.700 0.028 0.000 0.838 212 G N 1.315 110.112 108.800 -0.006 0.000 2.363 212 G HA2 0.126 4.098 3.960 0.021 0.000 0.286 212 G HA3 0.126 4.098 3.960 0.021 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 -0.027 0.000 1.309 212 G HN 0.882 nan 8.290 nan 0.000 0.491 213 A N -0.050 122.761 122.820 -0.015 0.000 2.530 213 A HA 0.914 5.247 4.320 0.021 0.000 0.297 213 A C 0.150 177.727 177.584 -0.011 0.000 1.059 213 A CA 0.305 52.339 52.037 -0.006 0.000 0.782 213 A CB 0.615 19.619 19.000 0.006 0.000 1.301 213 A HN 2.269 nan 8.150 nan 0.000 0.394 214 A N 2.345 125.165 122.820 -0.000 0.000 2.993 214 A HA 0.478 4.810 4.320 0.021 0.000 0.281 214 A C 0.348 177.942 177.584 0.016 0.000 1.847 214 A CA 0.030 52.069 52.037 0.003 0.000 1.470 214 A CB -1.089 17.916 19.000 0.009 0.000 1.028 214 A HN 1.416 nan 8.150 nan 0.000 0.604 215 V N 3.101 122.996 119.914 -0.032 0.000 2.425 215 V HA -0.014 4.118 4.120 0.021 0.000 0.276 215 V C 0.753 176.825 176.094 -0.035 0.000 1.017 215 V CA 0.582 62.831 62.300 -0.084 0.000 1.062 215 V CB 0.294 31.934 31.823 -0.306 0.000 0.997 215 V HN 0.933 nan 8.190 nan 0.000 0.476 216 D N 3.899 124.361 120.400 0.103 0.000 2.413 216 D HA 0.113 4.765 4.640 0.021 0.000 0.237 216 D C 0.219 176.571 176.300 0.086 0.000 1.171 216 D CA -0.138 53.915 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 0.450 nan 8.370 nan 0.000 0.499 217 L N 0.948 122.177 121.223 0.009 0.000 2.436 217 L HA 0.313 4.665 4.340 0.021 0.000 0.265 217 L C -1.597 175.270 176.870 -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 0.022 177.337 177.300 0.025 0.000 1.227 218 P CA -0.321 62.794 63.100 0.024 0.000 0.781 218 P CB 1.414 33.135 31.700 0.034 0.000 0.906 219 A N 4.040 126.880 122.820 0.032 0.000 1.884 219 A HA -0.096 4.236 4.320 0.021 0.000 0.219 219 A C 1.050 178.668 177.584 0.058 0.000 1.197 219 A CA 1.601 53.666 52.037 0.048 0.000 0.637 219 A CB -1.012 18.012 19.000 0.040 0.000 0.827 219 A HN 0.464 nan 8.150 nan 0.000 0.450 220 V N 1.219 121.163 119.914 0.049 0.000 2.313 220 V HA 0.388 4.520 4.120 0.021 0.000 0.278 220 V C 0.558 176.682 176.094 0.050 0.000 1.017 220 V CA -0.168 62.163 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 0.241 4.723 4.470 0.021 0.000 0.262 221 S C 1.090 175.723 174.600 0.056 0.000 1.232 221 S CA 0.163 58.395 58.200 0.054 0.000 0.988 221 S CB 1.216 64.450 63.200 0.057 0.000 1.034 221 S HN 0.653 nan 8.310 nan 0.000 0.569 222 E N 0.739 120.971 120.200 0.054 0.000 2.047 222 E HA -0.105 4.257 4.350 0.021 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 29.337 29.700 0.047 0.000 0.752 222 E HN 0.737 nan 8.360 nan 0.000 0.449 223 K N 0.140 120.581 120.400 0.068 0.000 2.097 223 K HA -0.181 4.151 4.320 0.021 0.000 0.206 223 K C 1.397 178.065 176.600 0.113 0.000 1.049 223 K CA 1.709 58.047 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 0.934 121.390 120.400 0.094 0.000 2.149 224 D HA -0.165 4.487 4.640 0.021 0.000 0.198 224 D C 1.929 178.270 176.300 0.068 0.000 0.990 224 D CA 1.166 55.214 54.000 0.080 0.000 0.839 224 D CB -0.115 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 0.753 121.365 120.570 0.071 0.000 2.286 225 I HA -0.271 3.911 4.170 0.021 0.000 0.248 225 I C 2.436 178.610 176.117 0.095 0.000 1.115 225 I CA 0.997 62.337 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 0.583 120.460 119.800 0.127 0.000 2.016 226 Q HA -0.205 4.148 4.340 0.021 0.000 0.200 226 Q C 1.876 178.054 176.000 0.296 0.000 0.978 226 Q CA 1.563 57.487 55.803 0.202 0.000 0.833 226 Q CB -0.124 28.715 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 4.493 4.640 0.021 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 0.152 0.000 0.833 227 D CB -0.172 40.659 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 4.192 4.340 0.021 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 41.748 42.059 -0.018 0.000 0.894 228 L HN -0.077 nan 8.230 nan 0.000 0.432 229 K N -0.202 120.237 120.400 0.064 0.000 2.063 229 K HA -0.225 4.108 4.320 0.021 0.000 0.208 229 K C 2.026 178.681 176.600 0.092 0.000 1.048 229 K CA 1.552 57.885 56.287 0.077 0.000 0.928 229 K CB -0.774 31.794 32.500 0.113 0.000 0.713 229 K HN 0.171 nan 8.250 nan 0.000 0.442 230 F N 1.539 121.469 119.950 -0.034 0.000 2.126 230 F HA -0.151 4.388 4.527 0.020 0.000 0.299 230 F C 2.115 177.849 175.800 -0.111 0.000 1.096 230 F CA 1.932 59.879 58.000 -0.088 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 -0.177 108.510 108.800 -0.188 0.000 2.422 231 G HA2 -0.183 3.789 3.960 0.021 0.000 0.218 231 G HA3 -0.183 3.789 3.960 0.021 0.000 0.218 231 G C 1.724 176.485 174.900 -0.231 0.000 1.146 231 G CA 1.115 46.039 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 -0.144 0.000 2.358 232 V HA -0.159 3.974 4.120 0.021 0.000 0.246 232 V C 2.613 178.639 176.094 -0.115 0.000 1.047 232 V CA 2.107 64.348 62.300 -0.099 0.000 1.035 232 V CB -0.513 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 -0.255 119.866 120.200 -0.132 0.000 2.204 233 E HA -0.184 4.178 4.350 0.021 0.000 0.194 233 E C 1.886 178.369 176.600 -0.195 0.000 0.989 233 E CA 0.736 57.061 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 0.660 120.263 119.800 -0.327 0.000 2.246 234 Q HA -0.017 4.335 4.340 0.021 0.000 0.202 234 Q C -0.532 175.346 176.000 -0.202 0.000 0.883 234 Q CA -0.117 55.487 55.803 -0.332 0.000 0.952 234 Q CB 0.433 28.812 28.738 -0.598 0.000 1.078 234 Q HN 0.096 nan 8.270 nan 0.000 0.493 235 D N 1.072 121.380 120.400 -0.154 0.000 2.697 235 D HA -0.146 4.506 4.640 0.021 0.000 0.235 235 D C -0.331 175.918 176.300 -0.085 0.000 1.167 235 D CA 0.410 54.353 54.000 -0.095 0.000 0.656 235 D CB -0.986 39.776 40.800 -0.064 0.000 1.025 235 D HN 0.201 nan 8.370 nan 0.000 0.419 236 V N -2.049 117.798 119.914 -0.112 0.000 3.003 236 V HA 0.331 4.464 4.120 0.021 0.000 0.305 236 V C 1.355 177.412 176.094 -0.061 0.000 1.078 236 V CA 0.110 62.350 62.300 -0.099 0.000 1.083 236 V CB 1.462 33.198 31.823 -0.145 0.000 1.039 236 V HN 0.053 nan 8.190 nan 0.000 0.481 237 D N 2.276 122.651 120.400 -0.042 0.000 2.327 237 D HA 0.185 4.837 4.640 0.021 0.000 0.205 237 D C 0.580 176.882 176.300 0.003 0.000 0.989 237 D CA 1.304 55.305 54.000 0.002 0.000 0.873 237 D CB 0.474 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 -1.470 118.101 119.600 -0.049 0.000 2.603 238 M HA 0.474 4.966 4.480 0.021 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 2.883 35.532 32.600 0.083 0.000 1.716 238 M HN -0.434 nan 8.290 nan 0.000 0.482 239 V N 2.370 122.269 119.914 -0.026 0.000 2.487 239 V HA 0.531 4.663 4.120 0.021 0.000 0.298 239 V C -1.301 174.907 176.094 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 3.641 123.556 119.950 -0.058 0.000 2.334 240 F HA 0.575 5.115 4.527 0.021 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 0.721 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 2.849 125.735 122.820 0.110 0.000 2.395 241 A HA 0.450 4.783 4.320 0.021 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 -0.225 18.787 19.000 0.020 0.000 1.118 241 A HN 0.577 nan 8.150 nan 0.000 0.524 242 S N 1.733 117.416 115.700 -0.029 0.000 2.564 242 S HA 0.406 4.889 4.470 0.021 0.000 0.278 242 S C 0.037 174.577 174.600 -0.100 0.000 1.333 242 S CA -0.101 57.975 58.200 -0.206 0.000 1.048 242 S CB -0.274 62.798 63.200 -0.215 0.000 0.900 242 S HN 0.811 nan 8.310 nan 0.000 0.505 243 F N -0.827 119.126 119.950 0.006 0.000 3.093 243 F HA -0.162 4.377 4.527 0.021 0.000 0.287 243 F C 0.230 176.024 175.800 -0.011 0.000 0.882 243 F CA -0.330 57.666 58.000 -0.006 0.000 1.063 243 F CB -1.848 37.144 39.000 -0.014 0.000 1.097 243 F HN 0.407 nan 8.300 nan 0.000 0.604 244 I N 1.993 122.602 120.570 0.065 0.000 2.664 244 I HA -0.033 4.149 4.170 0.021 0.000 0.284 244 I C 1.659 177.798 176.117 0.037 0.000 1.154 244 I CA 0.679 61.998 61.300 0.032 0.000 1.402 244 I CB 0.594 38.579 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 4.611 4.340 0.021 0.000 0.257 245 R C 0.153 176.457 176.300 0.006 0.000 0.927 245 R CA -0.289 55.834 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 0.594 nan 8.270 nan 0.000 0.529 246 K N -0.906 119.478 120.400 -0.026 0.000 2.685 246 K HA 0.256 4.588 4.320 0.021 0.000 0.290 246 K C -0.325 176.211 176.600 -0.105 0.000 1.018 246 K CA 0.051 56.307 56.287 -0.052 0.000 0.860 246 K CB 0.710 33.195 32.500 -0.025 0.000 1.498 246 K HN -0.143 nan 8.250 nan 0.000 0.390 247 A N 1.532 124.266 122.820 -0.143 0.000 1.948 247 A HA -0.135 4.197 4.320 0.021 0.000 0.220 247 A C 2.210 179.596 177.584 -0.330 0.000 1.177 247 A CA 3.064 54.941 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 1.006 nan 8.150 nan 0.000 0.449 248 A N 0.350 123.100 122.820 -0.116 0.000 1.873 248 A HA -0.264 4.069 4.320 0.021 0.000 0.218 248 A C 1.785 179.354 177.584 -0.024 0.000 1.193 248 A CA 2.020 54.053 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 0.515 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 4.508 4.640 0.021 0.000 0.193 249 D C 2.063 178.341 176.300 -0.036 0.000 0.998 249 D CA 1.653 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 3.852 4.120 0.021 0.000 0.248 250 V C 2.127 178.194 176.094 -0.044 0.000 1.055 250 V CA 1.876 64.102 62.300 -0.122 0.000 1.038 250 V CB -0.751 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 -0.625 118.440 119.070 -0.009 0.000 2.387 251 H HA -0.164 4.404 4.556 0.021 0.000 0.299 251 H C 2.472 177.801 175.328 0.002 0.000 1.090 251 H CA 1.410 57.455 56.048 -0.005 0.000 1.332 251 H CB 0.174 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 0.575 120.851 120.200 0.127 0.000 2.077 252 E HA -0.150 4.213 4.350 0.021 0.000 0.193 252 E C 2.168 178.803 176.600 0.058 0.000 0.989 252 E CA 1.068 57.515 56.400 0.077 0.000 0.800 252 E CB 0.190 29.924 29.700 0.057 0.000 0.746 252 E HN 0.205 nan 8.360 nan 0.000 0.452 253 V N 0.929 120.873 119.914 0.049 0.000 2.270 253 V HA -0.255 3.877 4.120 0.021 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 0.416 120.949 120.500 0.054 0.000 2.127 254 R HA -0.244 4.108 4.340 0.021 0.000 0.238 254 R C 2.294 178.620 176.300 0.043 0.000 1.134 254 R CA 2.105 58.237 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 4.213 4.320 0.021 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 -0.028 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 1.287 121.874 120.570 0.029 0.000 2.163 256 I HA -0.267 3.915 4.170 0.021 0.000 0.243 256 I C 2.253 178.381 176.117 0.019 0.000 1.085 256 I CA 1.136 62.451 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 0.631 121.862 121.223 0.013 0.000 2.187 257 L HA -0.052 4.300 4.340 0.021 0.000 0.213 257 L C 1.656 178.531 176.870 0.008 0.000 1.100 257 L CA 1.491 56.333 54.840 0.005 0.000 0.765 257 L CB -1.387 40.673 42.059 0.002 0.000 0.904 257 L HN 0.496 nan 8.230 nan 0.000 0.437 258 G N -0.790 108.018 108.800 0.014 0.000 2.606 258 G HA2 -0.464 3.509 3.960 0.021 0.000 0.285 258 G HA3 -0.464 3.509 3.960 0.021 0.000 0.285 258 G C 0.834 175.740 174.900 0.011 0.000 1.311 258 G CA 0.620 45.728 45.100 0.013 0.000 0.922 258 G HN 0.302 nan 8.290 nan 0.000 0.559 259 E N -0.240 119.966 120.200 0.010 0.000 2.118 259 E HA -0.122 4.240 4.350 0.021 0.000 0.195 259 E C 2.412 179.017 176.600 0.009 0.000 0.992 259 E CA 2.349 58.754 56.400 0.010 0.000 0.804 259 E CB -0.210 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 -1.146 119.258 120.400 0.006 0.000 2.007 260 K HA -0.010 4.323 4.320 0.021 0.000 0.206 260 K C 1.878 178.479 176.600 0.000 0.000 1.047 260 K CA 1.181 57.470 56.287 0.003 0.000 0.937 260 K CB -0.417 32.083 32.500 -0.000 0.000 0.718 260 K HN 0.221 nan 8.250 nan 0.000 0.438 261 G N 1.167 109.966 108.800 -0.002 0.000 2.882 261 G HA2 -0.170 3.802 3.960 0.021 0.000 0.206 261 G HA3 -0.170 3.802 3.960 0.021 0.000 0.206 261 G C 1.028 175.932 174.900 0.006 0.000 1.155 261 G CA 0.069 45.166 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 4.110 4.320 0.021 0.000 0.212 262 K C 1.607 178.223 176.600 0.027 0.000 1.050 262 K CA 1.868 58.167 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 0.472 nan 8.250 nan 0.000 0.457 263 N N -0.014 118.702 118.700 0.027 0.000 2.270 263 N HA 0.149 4.901 4.740 0.021 0.000 0.198 263 N C -0.521 175.014 175.510 0.042 0.000 1.117 263 N CA -0.374 52.700 53.050 0.040 0.000 0.845 263 N CB 0.405 38.918 38.487 0.044 0.000 0.980 263 N HN 0.111 nan 8.380 nan 0.000 0.486 264 I N 1.997 122.582 120.570 0.026 0.000 2.452 264 I HA 0.033 4.216 4.170 0.021 0.000 0.287 264 I C 0.234 176.371 176.117 0.034 0.000 1.079 264 I CA -0.323 60.989 61.300 0.020 0.000 1.387 264 I CB 0.457 38.453 38.000 -0.007 0.000 1.404 264 I HN -0.130 nan 8.210 nan 0.000 0.522 265 K N 7.494 127.924 120.400 0.050 0.000 2.368 265 K HA 0.368 4.700 4.320 0.021 0.000 0.282 265 K C -0.303 176.330 176.600 0.056 0.000 1.035 265 K CA -0.025 56.296 56.287 0.058 0.000 0.973 265 K CB 0.831 33.375 32.500 0.074 0.000 0.957 265 K HN 0.525 nan 8.250 nan 0.000 0.474 266 I N 4.659 125.254 120.570 0.042 0.000 2.315 266 I HA 0.157 4.340 4.170 0.021 0.000 0.291 266 I C 0.031 176.167 176.117 0.033 0.000 1.006 266 I CA -0.699 60.626 61.300 0.041 0.000 1.265 266 I CB 0.841 38.852 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 4.383 4.170 0.021 0.000 0.286 267 I C 0.365 176.468 176.117 -0.025 0.000 1.025 267 I CA -0.194 61.110 61.300 0.006 0.000 1.197 267 I CB 0.863 38.852 38.000 -0.018 0.000 1.358 267 I HN 0.449 nan 8.210 nan 0.000 0.467 268 S N 6.438 122.100 115.700 -0.064 0.000 2.531 268 S HA 0.264 4.747 4.470 0.021 0.000 0.279 268 S C 0.306 174.855 174.600 -0.084 0.000 1.305 268 S CA -0.456 57.703 58.200 -0.069 0.000 1.058 268 S CB 0.680 63.822 63.200 -0.096 0.000 0.899 268 S HN 0.368 nan 8.310 nan 0.000 0.493 269 K N 2.661 123.008 120.400 -0.089 0.000 2.211 269 K HA 0.375 4.707 4.320 0.021 0.000 0.275 269 K C -0.699 175.840 176.600 -0.101 0.000 1.024 269 K CA -0.516 55.695 56.287 -0.126 0.000 0.887 269 K CB 0.756 33.149 32.500 -0.178 0.000 1.084 269 K HN 0.405 nan 8.250 nan 0.000 0.463 270 I N 4.110 124.640 120.570 -0.067 0.000 2.297 270 I HA 0.088 4.271 4.170 0.021 0.000 0.291 270 I C 0.624 176.705 176.117 -0.060 0.000 1.033 270 I CA 0.254 61.539 61.300 -0.024 0.000 1.253 270 I CB 0.640 38.661 38.000 0.035 0.000 1.396 270 I HN 0.793 nan 8.210 nan 0.000 0.476 271 E N 4.509 124.683 120.200 -0.042 0.000 2.639 271 E HA 0.095 4.457 4.350 0.021 0.000 0.225 271 E C -0.015 176.642 176.600 0.096 0.000 0.921 271 E CA -0.205 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 0.103 118.870 118.700 0.112 0.000 2.577 272 N HA 0.056 4.808 4.740 0.021 0.000 0.285 272 N C 0.503 176.070 175.510 0.095 0.000 1.309 272 N CA -0.539 52.590 53.050 0.130 0.000 0.798 272 N CB 1.201 39.787 38.487 0.165 0.000 1.463 272 N HN -0.153 nan 8.380 nan 0.000 0.518 273 H N -0.080 119.002 119.070 0.021 0.000 2.423 273 H HA -0.029 4.539 4.556 0.021 0.000 0.297 273 H C 1.136 176.472 175.328 0.012 0.000 1.075 273 H CA 1.679 57.730 56.048 0.005 0.000 1.342 273 H CB 0.388 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 4.265 4.350 0.021 0.000 0.191 274 E C 2.358 178.999 176.600 0.067 0.000 0.985 274 E CA 0.749 57.233 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 0.584 nan 8.360 nan 0.000 0.452 275 G N 0.467 109.302 108.800 0.059 0.000 2.442 275 G HA2 -0.236 3.736 3.960 0.021 0.000 0.219 275 G HA3 -0.236 3.736 3.960 0.021 0.000 0.219 275 G C 1.618 176.558 174.900 0.067 0.000 1.141 275 G CA 0.974 46.104 45.100 0.051 0.000 0.763 275 G HN 0.203 nan 8.290 nan 0.000 0.554 276 V N 0.510 120.423 119.914 -0.003 0.000 2.323 276 V HA -0.067 4.065 4.120 0.021 0.000 0.244 276 V C 2.791 178.865 176.094 -0.034 0.000 1.041 276 V CA 1.682 63.952 62.300 -0.050 0.000 1.025 276 V CB -0.422 31.273 31.823 -0.214 0.000 0.656 276 V HN 0.300 nan 8.190 nan 0.000 0.451 277 R N 0.685 121.139 120.500 -0.077 0.000 2.120 277 R HA -0.075 4.277 4.340 0.021 0.000 0.234 277 R C 1.628 177.949 176.300 0.034 0.000 1.123 277 R CA 1.301 57.389 56.100 -0.021 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 -0.757 119.771 120.500 0.046 0.000 2.633 278 R HA 0.066 4.418 4.340 0.021 0.000 0.348 278 R C 1.076 177.389 176.300 0.020 0.000 1.100 278 R CA -0.392 55.725 56.100 0.028 0.000 1.068 278 R CB -0.048 30.256 30.300 0.007 0.000 1.351 278 R HN 0.080 nan 8.270 nan 0.000 0.575 279 F N 2.684 122.596 119.950 -0.063 0.000 2.043 279 F HA -0.343 4.196 4.527 0.021 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 0.060 39.011 39.000 -0.082 0.000 0.965 279 F HN 0.044 nan 8.300 nan 0.000 0.482 280 D N 0.290 120.661 120.400 -0.049 0.000 2.133 280 D HA -0.273 4.379 4.640 0.021 0.000 0.192 280 D C 2.137 178.303 176.300 -0.224 0.000 1.001 280 D CA 2.085 56.004 54.000 -0.136 0.000 0.844 280 D CB -0.702 40.104 40.800 0.010 0.000 0.944 280 D HN 0.714 nan 8.370 nan 0.000 0.447 281 E N 0.684 120.789 120.200 -0.159 0.000 2.106 281 E HA -0.129 4.233 4.350 0.021 0.000 0.192 281 E C 2.403 178.869 176.600 -0.223 0.000 0.984 281 E CA 0.678 56.991 56.400 -0.146 0.000 0.806 281 E CB -0.491 29.153 29.700 -0.092 0.000 0.750 281 E HN 0.299 nan 8.360 nan 0.000 0.458 282 I N 1.185 121.580 120.570 -0.292 0.000 2.226 282 I HA -0.243 3.939 4.170 0.021 0.000 0.245 282 I C 2.696 178.567 176.117 -0.410 0.000 1.100 282 I CA 0.884 61.985 61.300 -0.331 0.000 1.374 282 I CB -0.298 37.509 38.000 -0.322 0.000 1.057 282 I HN 0.202 nan 8.210 nan 0.000 0.413 283 L N 0.852 121.700 121.223 -0.625 0.000 1.989 283 L HA -0.266 4.086 4.340 0.021 0.000 0.211 283 L C 2.692 179.400 176.870 -0.270 0.000 1.071 283 L CA 1.901 56.411 54.840 -0.549 0.000 0.749 283 L CB -0.301 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 0.430 120.505 120.200 -0.210 0.000 2.085 284 E HA -0.235 4.127 4.350 0.021 0.000 0.194 284 E C 1.862 178.410 176.600 -0.086 0.000 0.994 284 E CA 1.814 58.148 56.400 -0.111 0.000 0.801 284 E CB -0.262 29.394 29.700 -0.075 0.000 0.743 284 E HN 0.496 nan 8.360 nan 0.000 0.453 285 A N -0.013 122.729 122.820 -0.129 0.000 2.067 285 A HA 0.032 4.364 4.320 0.021 0.000 0.219 285 A C 1.383 178.907 177.584 -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 -0.533 115.091 115.700 -0.125 0.000 2.722 286 S HA 0.325 4.807 4.470 0.021 0.000 0.292 286 S C 0.120 174.683 174.600 -0.061 0.000 1.135 286 S CA -0.535 57.608 58.200 -0.094 0.000 1.003 286 S CB 1.089 64.211 63.200 -0.130 0.000 1.067 286 S HN 0.402 nan 8.310 nan 0.000 0.546 287 D N 0.202 120.578 120.400 -0.041 0.000 2.301 287 D HA 0.231 4.884 4.640 0.021 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 4.484 3.960 0.021 0.000 0.293 288 G HA3 0.511 4.484 3.960 0.021 0.000 0.293 288 G C -1.633 173.202 174.900 -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 0.322 120.829 120.570 -0.105 0.000 2.828 289 I HA 0.576 4.758 4.170 0.021 0.000 0.302 289 I C -0.459 175.575 176.117 -0.138 0.000 1.101 289 I CA -0.826 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 4.658 124.165 119.600 -0.154 0.000 2.259 290 M HA 0.449 4.941 4.480 0.021 0.000 0.304 290 M C -1.563 174.656 176.300 -0.136 0.000 1.019 290 M CA -0.706 54.468 55.300 -0.211 0.000 0.922 290 M CB 1.854 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 5.116 124.956 119.914 -0.122 0.000 2.313 291 V HA 0.239 4.371 4.120 0.021 0.000 0.252 291 V C 0.762 176.797 176.094 -0.099 0.000 1.112 291 V CA -0.283 61.957 62.300 -0.099 0.000 0.984 291 V CB 0.112 31.878 31.823 -0.095 0.000 1.157 291 V HN 0.886 nan 8.190 nan 0.000 0.493 292 A N 5.025 127.783 122.820 -0.105 0.000 3.048 292 A HA 0.232 4.565 4.320 0.021 0.000 0.264 292 A C 1.678 179.220 177.584 -0.069 0.000 1.796 292 A CA -0.261 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 4.142 4.340 0.021 0.000 0.247 293 R C 2.248 178.538 176.300 -0.017 0.000 1.159 293 R CA 1.924 58.006 56.100 -0.031 0.000 0.988 293 R CB -0.295 29.993 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 3.688 3.960 0.021 0.000 0.216 294 G HA3 -0.285 3.688 3.960 0.021 0.000 0.216 294 G C 0.938 175.848 174.900 0.016 0.000 1.265 294 G CA 1.182 46.286 45.100 0.007 0.000 0.804 294 G HN 0.253 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 4.571 4.640 0.021 0.000 0.200 295 D C 2.482 178.809 176.300 0.045 0.000 0.978 295 D CA 0.646 54.692 54.000 0.076 0.000 0.833 295 D CB -0.093 40.810 40.800 0.172 0.000 0.961 295 D HN 0.158 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 4.283 4.340 0.021 0.000 0.210 296 L C 2.201 179.062 176.870 -0.015 0.000 1.081 296 L CA 1.818 56.656 54.840 -0.004 0.000 0.752 296 L CB -0.819 41.220 42.059 -0.032 0.000 0.896 296 L HN -0.003 nan 8.230 nan 0.000 0.433 297 G N -1.311 107.479 108.800 -0.017 0.000 2.776 297 G HA2 -0.077 3.895 3.960 0.021 0.000 0.209 297 G HA3 -0.077 3.895 3.960 0.021 0.000 0.209 297 G C 1.376 176.240 174.900 -0.059 0.000 1.145 297 G CA 0.846 45.931 45.100 -0.026 0.000 0.791 297 G HN 0.518 nan 8.290 nan 0.000 0.530 298 I N -0.967 119.564 120.570 -0.066 0.000 3.883 298 I HA 0.139 4.321 4.170 0.021 0.000 0.305 298 I C 2.009 178.031 176.117 -0.158 0.000 1.247 298 I CA 0.055 61.265 61.300 -0.151 0.000 1.350 298 I CB 0.226 38.164 38.000 -0.103 0.000 1.194 298 I HN -0.068 nan 8.210 nan 0.000 0.441 299 E N 1.922 122.092 120.200 -0.050 0.000 2.208 299 E HA 0.070 4.432 4.350 0.021 0.000 0.193 299 E C 0.734 177.336 176.600 0.004 0.000 0.988 299 E CA 0.788 57.183 56.400 -0.009 0.000 0.828 299 E CB 0.325 30.058 29.700 0.055 0.000 0.763 299 E HN 0.554 nan 8.360 nan 0.000 0.478 300 I N -2.925 117.642 120.570 -0.005 0.000 3.042 300 I HA 0.491 4.673 4.170 0.021 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 2.205 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 0.045 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 1.031 32.737 31.700 0.010 0.000 0.795 302 A N 5.290 128.105 122.820 -0.008 0.000 1.903 302 A HA -0.243 4.089 4.320 0.021 0.000 0.219 302 A C 1.784 179.404 177.584 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 17.995 19.000 0.004 0.000 0.823 302 A HN 0.667 nan 8.150 nan 0.000 0.451 303 E N 0.330 120.573 120.200 0.071 0.000 2.510 303 E HA -0.163 4.199 4.350 0.021 0.000 0.202 303 E C 1.061 177.810 176.600 0.248 0.000 1.072 303 E CA 1.340 57.822 56.400 0.137 0.000 0.883 303 E CB -0.243 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 0.134 120.605 120.400 0.118 0.000 2.380 304 K HA 0.156 4.488 4.320 0.021 0.000 0.198 304 K C 1.893 178.426 176.600 -0.110 0.000 1.070 304 K CA 0.258 56.533 56.287 -0.021 0.000 1.040 304 K CB 0.716 33.181 32.500 -0.059 0.000 0.903 304 K HN -0.092 nan 8.250 nan 0.000 0.549 305 V N 2.237 122.159 119.914 0.013 0.000 2.380 305 V HA -0.300 3.832 4.120 0.021 0.000 0.251 305 V C 2.128 178.205 176.094 -0.028 0.000 1.063 305 V CA 2.106 64.395 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 0.354 nan 8.190 nan 0.000 0.455 306 F N 0.240 120.156 119.950 -0.057 0.000 2.171 306 F HA -0.127 4.411 4.527 0.019 0.000 0.300 306 F C 1.953 177.709 175.800 -0.073 0.000 1.090 306 F CA 1.405 59.370 58.000 -0.060 0.000 1.293 306 F CB -1.210 37.762 39.000 -0.047 0.000 1.013 306 F HN 0.087 nan 8.300 nan 0.000 0.486 307 L N 1.053 121.591 121.223 -1.141 0.000 1.989 307 L HA -0.201 4.151 4.340 0.021 0.000 0.211 307 L C 3.063 179.679 176.870 -0.423 0.000 1.071 307 L CA 1.522 55.846 54.840 -0.860 0.000 0.749 307 L CB -1.409 40.188 42.059 -0.769 0.000 0.890 307 L HN 0.356 nan 8.230 nan 0.000 0.431 308 A N -0.697 121.920 122.820 -0.338 0.000 1.908 308 A HA -0.299 4.034 4.320 0.021 0.000 0.218 308 A C 2.272 179.707 177.584 -0.249 0.000 1.181 308 A CA 2.004 53.877 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 -0.268 119.423 119.800 -0.182 0.000 2.002 309 Q HA -0.256 4.096 4.340 0.021 0.000 0.204 309 Q C 2.042 177.955 176.000 -0.145 0.000 0.988 309 Q CA 2.218 57.940 55.803 -0.135 0.000 0.843 309 Q CB -0.165 28.539 28.738 -0.057 0.000 0.908 309 Q HN 0.668 nan 8.270 nan 0.000 0.420 310 K N -0.145 120.182 120.400 -0.122 0.000 2.103 310 K HA -0.155 4.177 4.320 0.021 0.000 0.207 310 K C 2.118 178.622 176.600 -0.159 0.000 1.048 310 K CA 1.468 57.693 56.287 -0.105 0.000 0.930 310 K CB -0.196 32.268 32.500 -0.060 0.000 0.716 310 K HN 0.313 nan 8.250 nan 0.000 0.444 311 M N 0.966 120.433 119.600 -0.221 0.000 2.099 311 M HA -0.119 4.373 4.480 0.021 0.000 0.262 311 M C 1.907 177.987 176.300 -0.366 0.000 1.067 311 M CA 1.740 56.880 55.300 -0.266 0.000 1.124 311 M CB -0.263 32.161 32.600 -0.294 0.000 1.353 311 M HN 0.128 nan 8.290 nan 0.000 0.410 312 I N 0.129 120.423 120.570 -0.460 0.000 2.252 312 I HA -0.322 3.860 4.170 0.021 0.000 0.245 312 I C 2.370 178.304 176.117 -0.305 0.000 1.102 312 I CA 1.060 61.982 61.300 -0.630 0.000 1.385 312 I CB -0.357 37.317 38.000 -0.542 0.000 1.064 312 I HN 0.259 nan 8.210 nan 0.000 0.414 313 I N 0.614 121.067 120.570 -0.194 0.000 2.226 313 I HA -0.204 3.979 4.170 0.021 0.000 0.245 313 I C 2.709 178.770 176.117 -0.093 0.000 1.100 313 I CA 1.563 62.797 61.300 -0.111 0.000 1.374 313 I CB -1.021 36.929 38.000 -0.083 0.000 1.057 313 I HN 0.271 nan 8.210 nan 0.000 0.413 314 G N 0.818 109.552 108.800 -0.110 0.000 2.459 314 G HA2 -0.277 3.695 3.960 0.021 0.000 0.217 314 G HA3 -0.277 3.695 3.960 0.021 0.000 0.217 314 G C 1.796 176.656 174.900 -0.068 0.000 1.183 314 G CA 0.699 45.748 45.100 -0.084 0.000 0.776 314 G HN 0.272 nan 8.290 nan 0.000 0.552 315 R N -0.954 119.493 120.500 -0.089 0.000 2.148 315 R HA 0.018 4.371 4.340 0.021 0.000 0.227 315 R C 2.622 178.958 176.300 0.060 0.000 1.103 315 R CA 1.031 57.126 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 -0.116 119.211 119.300 0.047 0.000 2.476 316 C HA 0.005 4.478 4.460 0.021 0.000 0.278 316 C C 2.087 177.077 174.990 -0.000 0.000 1.274 316 C CA 0.559 59.612 59.018 0.058 0.000 1.713 316 C CB -1.015 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 0.245 118.931 118.700 -0.024 0.000 2.094 317 N HA -0.203 4.550 4.740 0.021 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 -0.253 38.211 38.487 -0.039 0.000 1.013 317 N HN 0.490 nan 8.380 nan 0.000 0.426 318 R N 1.187 121.663 120.500 -0.039 0.000 2.081 318 R HA -0.045 4.307 4.340 0.021 0.000 0.235 318 R C 1.826 178.105 176.300 -0.034 0.000 1.131 318 R CA 1.363 57.439 56.100 -0.040 0.000 0.960 318 R CB -0.144 30.144 30.300 -0.019 0.000 0.856 318 R HN 0.161 nan 8.270 nan 0.000 0.436 319 A N -0.374 122.439 122.820 -0.010 0.000 2.167 319 A HA 0.155 4.488 4.320 0.021 0.000 0.214 319 A C 1.407 178.986 177.584 -0.009 0.000 1.151 319 A CA 0.956 52.991 52.037 -0.003 0.000 0.735 319 A CB -0.190 18.819 19.000 0.015 0.000 0.802 319 A HN 0.594 nan 8.150 nan 0.000 0.467 320 G N -0.830 107.955 108.800 -0.025 0.000 2.143 320 G HA2 -0.244 3.728 3.960 0.021 0.000 0.248 320 G HA3 -0.244 3.728 3.960 0.021 0.000 0.248 320 G C 0.095 175.025 174.900 0.050 0.000 0.991 320 G CA 0.545 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 0.622 121.024 120.400 0.003 0.000 2.159 321 K HA 0.426 4.759 4.320 0.021 0.000 0.266 321 K C -2.623 173.898 176.600 -0.133 0.000 0.975 321 K CA -1.981 54.281 56.287 -0.042 0.000 0.865 321 K CB 1.863 34.340 32.500 -0.039 0.000 1.087 321 K HN -0.040 nan 8.250 nan 0.000 0.446 322 P HA -0.024 nan 4.420 nan 0.000 0.265 322 P C -0.845 176.328 177.300 -0.212 0.000 1.193 322 P CA -0.113 62.761 63.100 -0.378 0.000 0.765 322 P CB 0.618 31.936 31.700 -0.637 0.000 0.823 323 V N 5.417 125.232 119.914 -0.165 0.000 2.735 323 V HA 0.533 4.666 4.120 0.021 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 5.505 125.981 120.570 -0.157 0.000 2.474 324 I HA 0.463 4.645 4.170 0.021 0.000 0.294 324 I C -0.469 175.571 176.117 -0.128 0.000 1.005 324 I CA -0.480 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 6.020 125.266 119.300 -0.090 0.000 2.295 325 C HA 0.888 5.361 4.460 0.021 0.000 0.331 325 C C 0.310 175.264 174.990 -0.060 0.000 1.280 325 C CA -0.004 58.973 59.018 -0.068 0.000 1.746 325 C CB -0.381 27.333 27.740 -0.043 0.000 2.328 325 C HN 0.889 nan 8.230 nan 0.000 0.521 326 A N 4.348 127.132 122.820 -0.060 0.000 2.515 326 A HA 0.926 5.258 4.320 0.021 0.000 0.296 326 A C -0.179 177.392 177.584 -0.022 0.000 1.094 326 A CA -0.184 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 4.270 4.350 0.021 0.000 0.771 327 T C 0.059 174.768 174.700 0.014 0.000 0.992 327 T CA 0.857 62.963 62.100 0.010 0.000 4.060 327 T CB -1.157 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 0.377 120.191 119.800 0.023 0.000 2.461 328 Q HA -0.286 4.067 4.340 0.021 0.000 0.264 328 Q C 1.520 177.532 176.000 0.019 0.000 1.085 328 Q CA 1.478 57.295 55.803 0.023 0.000 1.006 328 Q CB -1.080 27.671 28.738 0.022 0.000 1.437 328 Q HN 0.820 nan 8.270 nan 0.000 0.514 329 M N -0.934 118.677 119.600 0.018 0.000 2.132 329 M HA -0.126 4.367 4.480 0.021 0.000 0.263 329 M C 0.834 177.145 176.300 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 -0.307 120.930 121.223 0.024 0.000 3.218 330 L HA 0.195 4.547 4.340 0.021 0.000 0.279 330 L C 1.260 178.149 176.870 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 4.037 4.350 0.021 0.000 0.212 331 E C 2.247 178.870 176.600 0.039 0.000 1.044 331 E CA 2.318 58.739 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 -0.468 115.250 115.700 0.030 0.000 2.420 332 S HA -0.216 4.266 4.470 0.021 0.000 0.237 332 S C 1.889 176.515 174.600 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 0.534 120.160 119.600 0.042 0.000 2.700 333 M HA 0.178 4.670 4.480 0.021 0.000 0.249 333 M C 1.377 177.777 176.300 0.167 0.000 1.082 333 M CA 0.606 55.943 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 -0.054 120.592 120.570 0.128 0.000 2.676 334 I HA -0.215 3.968 4.170 0.021 0.000 0.259 334 I C 2.078 178.294 176.117 0.165 0.000 1.194 334 I CA 0.998 62.375 61.300 0.127 0.000 1.473 334 I CB -0.062 37.982 38.000 0.074 0.000 1.096 334 I HN 0.210 nan 8.210 nan 0.000 0.443 335 K N 0.089 120.603 120.400 0.190 0.000 2.502 335 K HA 0.299 4.632 4.320 0.021 0.000 0.211 335 K C 0.043 176.831 176.600 0.312 0.000 1.259 335 K CA 0.273 56.688 56.287 0.213 0.000 0.983 335 K CB 0.960 33.527 32.500 0.110 0.000 1.054 335 K HN 0.154 nan 8.250 nan 0.000 0.572 336 K N 0.993 121.491 120.400 0.163 0.000 2.328 336 K HA 0.273 4.605 4.320 0.021 0.000 0.246 336 K C -2.134 174.132 176.600 -0.556 0.000 0.955 336 K CA -1.885 54.352 56.287 -0.082 0.000 0.817 336 K CB 2.261 34.725 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 -0.468 176.602 177.300 -0.382 0.000 1.177 337 P CA 0.718 63.248 63.100 -0.950 0.000 0.773 337 P CB 0.609 31.881 31.700 -0.714 0.000 0.878 338 R N 0.714 121.068 120.500 -0.243 0.000 2.686 338 R HA 0.476 4.828 4.340 0.021 0.000 0.286 338 R C -2.568 173.682 176.300 -0.084 0.000 0.969 338 R CA -2.221 53.803 56.100 -0.126 0.000 0.898 338 R CB 1.811 32.057 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 62.782 63.100 -0.026 0.000 0.811 339 P CB 0.761 32.453 31.700 -0.013 0.000 1.063 340 T N -0.926 113.621 114.554 -0.012 0.000 2.828 340 T HA 0.190 4.552 4.350 0.021 0.000 0.290 340 T C 1.529 176.223 174.700 -0.010 0.000 1.019 340 T CA -0.617 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 0.176 nan 8.240 nan 0.000 0.531 341 R N 1.360 121.853 120.500 -0.011 0.000 2.117 341 R HA -0.074 4.278 4.340 0.021 0.000 0.243 341 R C 2.639 178.932 176.300 -0.012 0.000 1.143 341 R CA 1.702 57.795 56.100 -0.012 0.000 0.968 341 R CB -1.826 28.466 30.300 -0.013 0.000 0.863 341 R HN 0.879 nan 8.270 nan 0.000 0.444 342 A N 1.402 124.215 122.820 -0.012 0.000 1.930 342 A HA -0.153 4.179 4.320 0.021 0.000 0.217 342 A C 2.015 179.593 177.584 -0.010 0.000 1.175 342 A CA 1.313 53.341 52.037 -0.014 0.000 0.627 342 A CB -0.275 18.716 19.000 -0.015 0.000 0.815 342 A HN 0.399 nan 8.150 nan 0.000 0.443 343 E N -0.501 119.696 120.200 -0.005 0.000 2.106 343 E HA -0.089 4.273 4.350 0.021 0.000 0.192 343 E C 2.114 178.714 176.600 -0.000 0.000 0.984 343 E CA 0.685 57.085 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 3.645 3.960 0.021 0.000 0.216 344 G HA3 -0.327 3.645 3.960 0.021 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 4.358 4.470 0.021 0.000 0.229 345 S C 1.884 176.480 174.600 -0.006 0.000 1.021 345 S CA 1.765 59.961 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 4.541 4.640 0.021 0.000 0.194 346 D C 1.848 178.149 176.300 0.002 0.000 0.994 346 D CA 1.608 55.607 54.000 -0.002 0.000 0.830 346 D CB -0.428 40.372 40.800 -0.001 0.000 0.959 346 D HN 0.307 nan 8.370 nan 0.000 0.452 347 V N 0.930 120.846 119.914 0.004 0.000 2.261 347 V HA -0.234 3.899 4.120 0.021 0.000 0.246 347 V C 2.660 178.758 176.094 0.008 0.000 1.047 347 V CA 1.915 64.219 62.300 0.007 0.000 1.015 347 V CB -1.204 30.625 31.823 0.011 0.000 0.642 347 V HN 0.352 nan 8.190 nan 0.000 0.446 348 A N 0.593 123.417 122.820 0.007 0.000 1.884 348 A HA -0.307 4.026 4.320 0.021 0.000 0.219 348 A C 2.091 179.683 177.584 0.014 0.000 1.197 348 A CA 2.414 54.457 52.037 0.009 0.000 0.637 348 A CB -0.841 18.163 19.000 0.007 0.000 0.827 348 A HN 0.612 nan 8.150 nan 0.000 0.450 349 N N 0.081 118.787 118.700 0.011 0.000 2.223 349 N HA -0.100 4.652 4.740 0.021 0.000 0.185 349 N C 1.898 177.417 175.510 0.014 0.000 1.016 349 N CA 1.419 54.477 53.050 0.014 0.000 0.863 349 N CB -0.502 37.990 38.487 0.009 0.000 0.983 349 N HN 0.509 nan 8.380 nan 0.000 0.429 350 A N 0.805 123.630 122.820 0.008 0.000 1.902 350 A HA -0.075 4.257 4.320 0.021 0.000 0.217 350 A C 2.528 180.114 177.584 0.004 0.000 1.181 350 A CA 1.215 53.254 52.037 0.002 0.000 0.623 350 A CB -0.686 18.312 19.000 -0.003 0.000 0.818 350 A HN 0.100 nan 8.150 nan 0.000 0.443 351 V N -0.295 119.625 119.914 0.010 0.000 2.307 351 V HA -0.202 3.930 4.120 0.021 0.000 0.245 351 V C 2.461 178.567 176.094 0.019 0.000 1.045 351 V CA 1.686 63.996 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 0.461 nan 8.190 nan 0.000 0.449 352 L N 0.172 121.410 121.223 0.024 0.000 2.083 352 L HA -0.164 4.188 4.340 0.021 0.000 0.209 352 L C 2.121 179.008 176.870 0.028 0.000 1.083 352 L CA 1.796 56.656 54.840 0.034 0.000 0.752 352 L CB -1.283 40.804 42.059 0.047 0.000 0.899 352 L HN 0.348 nan 8.230 nan 0.000 0.433 353 D N -0.543 119.867 120.400 0.017 0.000 2.178 353 D HA -0.033 4.620 4.640 0.021 0.000 0.201 353 D C 1.781 178.078 176.300 -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 -0.840 107.959 108.800 -0.002 0.000 2.183 354 G HA2 -0.080 3.892 3.960 0.021 0.000 0.168 354 G HA3 -0.080 3.892 3.960 0.021 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 0.568 123.377 122.820 -0.018 0.000 2.546 355 A HA 0.456 4.788 4.320 0.021 0.000 0.243 355 A C 1.283 178.855 177.584 -0.021 0.000 1.063 355 A CA 1.043 53.061 52.037 -0.031 0.000 0.757 355 A CB 0.231 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 0.718 121.094 120.400 -0.041 0.000 2.149 356 D HA -0.021 4.631 4.640 0.021 0.000 0.201 356 D C 0.135 176.426 176.300 -0.014 0.000 0.972 356 D CA 1.319 55.301 54.000 -0.031 0.000 0.835 356 D CB 0.097 40.840 40.800 -0.095 0.000 0.966 356 D HN 0.548 nan 8.370 nan 0.000 0.476 357 C N 0.646 119.925 119.300 -0.036 0.000 2.797 357 C HA 0.580 5.052 4.460 0.021 0.000 0.306 357 C C -0.015 174.960 174.990 -0.025 0.000 1.207 357 C CA -1.105 57.903 59.018 -0.017 0.000 1.507 357 C CB 1.820 29.544 27.740 -0.026 0.000 2.028 357 C HN 0.153 nan 8.230 nan 0.000 0.475 358 I N 0.436 121.005 120.570 -0.002 0.000 2.750 358 I HA 0.806 4.988 4.170 0.021 0.000 0.308 358 I C -0.686 175.436 176.117 0.008 0.000 1.016 358 I CA -0.788 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 4.246 123.851 119.600 0.008 0.000 2.591 359 M HA 0.638 5.130 4.480 0.021 0.000 0.306 359 M C -2.055 174.266 176.300 0.036 0.000 1.190 359 M CA -0.702 54.614 55.300 0.027 0.000 0.889 359 M CB 2.731 35.342 32.600 0.018 0.000 1.728 359 M HN 0.631 nan 8.290 nan 0.000 0.458 360 L N 2.336 123.589 121.223 0.051 0.000 2.386 360 L HA 0.715 5.068 4.340 0.021 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 0.593 116.330 115.700 0.060 0.000 2.614 361 S HA 0.693 5.176 4.470 0.021 0.000 0.259 361 S C 0.040 174.674 174.600 0.056 0.000 1.118 361 S CA 0.009 58.250 58.200 0.067 0.000 1.065 361 S CB 1.565 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 3.670 112.502 108.800 0.052 0.000 2.493 362 G HA2 -0.274 3.698 3.960 0.021 0.000 0.206 362 G HA3 -0.274 3.698 3.960 0.021 0.000 0.206 362 G C 0.640 175.568 174.900 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 0.065 4.427 4.350 0.021 0.000 0.194 363 E C 2.555 179.196 176.600 0.068 0.000 0.988 363 E CA 2.224 58.663 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 0.780 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 4.779 4.350 0.021 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 0.104 nan 8.240 nan 0.000 0.503 365 A N 2.962 125.813 122.820 0.052 0.000 1.898 365 A HA 0.186 4.519 4.320 0.021 0.000 0.214 365 A C 1.952 179.558 177.584 0.036 0.000 1.183 365 A CA 1.456 53.524 52.037 0.053 0.000 0.622 365 A CB -0.201 18.832 19.000 0.055 0.000 0.824 365 A HN 0.658 nan 8.150 nan 0.000 0.444 366 K N -1.684 118.729 120.400 0.022 0.000 2.586 366 K HA 0.349 4.681 4.320 0.021 0.000 0.198 366 K C 0.554 177.153 176.600 -0.001 0.000 1.170 366 K CA 0.374 56.664 56.287 0.006 0.000 1.069 366 K CB -0.444 32.051 32.500 -0.009 0.000 0.944 366 K HN 0.261 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 4.125 3.960 0.021 0.000 0.278 367 G HA3 0.152 4.125 3.960 0.021 0.000 0.278 367 G C -0.327 174.546 174.900 -0.045 0.000 1.212 367 G CA -0.477 44.632 45.100 0.014 0.000 0.939 367 G HN 0.140 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 4.693 4.640 0.021 0.000 0.224 368 D C -0.257 175.621 176.300 -0.703 0.000 1.029 368 D CA 0.871 54.626 54.000 -0.409 0.000 0.879 368 D CB 0.258 40.714 40.800 -0.574 0.000 0.906 368 D HN 0.382 nan 8.370 nan 0.000 0.528 369 Y N -0.509 119.801 120.300 0.017 0.000 2.685 369 Y HA 0.180 4.743 4.550 0.021 0.000 0.284 369 Y C -1.614 174.299 175.900 0.021 0.000 0.944 369 Y CA -1.621 56.489 58.100 0.018 0.000 1.107 369 Y CB 0.981 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 1.509 178.862 177.300 0.087 0.000 1.169 370 P CA 1.453 64.601 63.100 0.081 0.000 0.908 370 P CB 0.618 32.346 31.700 0.047 0.000 0.791 371 L N 0.142 121.415 121.223 0.084 0.000 2.012 371 L HA -0.159 4.194 4.340 0.021 0.000 0.210 371 L C 2.696 179.615 176.870 0.082 0.000 1.073 371 L CA 1.875 56.758 54.840 0.073 0.000 0.748 371 L CB -1.721 40.377 42.059 0.065 0.000 0.891 371 L HN -0.042 nan 8.230 nan 0.000 0.431 372 E N -0.530 119.741 120.200 0.119 0.000 2.118 372 E HA -0.190 4.172 4.350 0.021 0.000 0.195 372 E C 2.286 178.927 176.600 0.068 0.000 0.992 372 E CA 1.344 57.796 56.400 0.088 0.000 0.804 372 E CB -0.356 29.395 29.700 0.084 0.000 0.741 372 E HN 0.489 nan 8.360 nan 0.000 0.458 373 A N 0.945 123.818 122.820 0.089 0.000 1.898 373 A HA -0.124 4.209 4.320 0.021 0.000 0.216 373 A C 2.632 180.255 177.584 0.066 0.000 1.181 373 A CA 1.403 53.483 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 0.104 120.057 119.914 0.066 0.000 2.295 374 V HA -0.276 3.857 4.120 0.021 0.000 0.246 374 V C 2.626 178.768 176.094 0.080 0.000 1.049 374 V CA 2.262 64.600 62.300 0.063 0.000 1.024 374 V CB -0.854 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 -0.863 119.677 120.500 0.067 0.000 2.105 375 R HA -0.199 4.153 4.340 0.021 0.000 0.239 375 R C 2.241 178.615 176.300 0.123 0.000 1.135 375 R CA 1.839 57.988 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 1.033 120.682 119.600 0.082 0.000 2.132 376 M HA -0.159 4.333 4.480 0.021 0.000 0.263 376 M C 1.976 178.318 176.300 0.070 0.000 1.065 376 M CA 1.756 57.095 55.300 0.064 0.000 1.122 376 M CB -0.145 32.476 32.600 0.036 0.000 1.365 376 M HN 0.048 nan 8.290 nan 0.000 0.411 377 Q N -1.338 118.509 119.800 0.078 0.000 2.084 377 Q HA -0.244 4.108 4.340 0.021 0.000 0.202 377 Q C 2.241 178.292 176.000 0.084 0.000 0.978 377 Q CA 1.732 57.577 55.803 0.069 0.000 0.844 377 Q CB -0.548 28.231 28.738 0.068 0.000 0.898 377 Q HN 0.681 nan 8.270 nan 0.000 0.426 378 H N 0.271 119.361 119.070 0.034 0.000 2.352 378 H HA -0.158 4.411 4.556 0.022 0.000 0.299 378 H C 1.971 177.325 175.328 0.043 0.000 1.097 378 H CA 1.263 57.336 56.048 0.042 0.000 1.311 378 H CB 0.186 29.974 29.762 0.045 0.000 1.377 378 H HN 0.149 nan 8.280 nan 0.000 0.504 379 L N 0.974 122.225 121.223 0.046 0.000 1.994 379 L HA -0.156 4.196 4.340 0.021 0.000 0.208 379 L C 2.906 179.747 176.870 -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 0.297 nan 8.230 nan 0.000 0.431 380 I N -1.084 119.478 120.570 -0.014 0.000 2.127 380 I HA -0.347 3.836 4.170 0.021 0.000 0.241 380 I C 2.604 178.706 176.117 -0.025 0.000 1.075 380 I CA 1.231 62.524 61.300 -0.012 0.000 1.334 380 I CB -0.721 37.282 38.000 0.003 0.000 1.040 380 I HN 0.265 nan 8.210 nan 0.000 0.405 381 A N 1.149 123.948 122.820 -0.035 0.000 1.869 381 A HA -0.268 4.064 4.320 0.021 0.000 0.218 381 A C 2.441 179.998 177.584 -0.045 0.000 1.203 381 A CA 1.918 53.936 52.037 -0.031 0.000 0.638 381 A CB -0.787 18.196 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 4.113 4.340 0.021 0.000 0.239 382 R C 2.213 178.495 176.300 -0.029 0.000 1.133 382 R CA 1.983 58.027 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 4.179 4.350 0.021 0.000 0.197 383 E C 1.844 178.454 176.600 0.016 0.000 1.004 383 E CA 1.895 58.293 56.400 -0.003 0.000 0.805 383 E CB -0.253 29.444 29.700 -0.006 0.000 0.744 383 E HN 0.401 nan 8.360 nan 0.000 0.451 384 A N 0.413 123.242 122.820 0.015 0.000 1.930 384 A HA -0.189 4.143 4.320 0.021 0.000 0.217 384 A C 1.979 179.597 177.584 0.057 0.000 1.175 384 A CA 1.638 53.694 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 0.036 120.272 120.200 0.060 0.000 2.085 385 E HA -0.144 4.218 4.350 0.021 0.000 0.194 385 E C 2.257 178.970 176.600 0.188 0.000 0.994 385 E CA 1.046 57.509 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 0.616 nan 8.360 nan 0.000 0.453 386 A N 1.507 124.413 122.820 0.143 0.000 1.972 386 A HA -0.048 4.284 4.320 0.021 0.000 0.219 386 A C 2.347 180.050 177.584 0.199 0.000 1.169 386 A CA 1.437 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 -0.896 122.007 122.820 0.137 0.000 2.216 387 A HA 0.251 4.583 4.320 0.021 0.000 0.214 387 A C 1.171 178.909 177.584 0.257 0.000 1.160 387 A CA 0.236 52.352 52.037 0.133 0.000 0.725 387 A CB -0.596 18.442 19.000 0.063 0.000 0.784 387 A HN 0.582 nan 8.150 nan 0.000 0.472 388 M N -1.262 118.441 119.600 0.172 0.000 2.240 388 M HA 0.112 4.604 4.480 0.021 0.000 0.317 388 M C 0.177 176.504 176.300 0.044 0.000 1.087 388 M CA 0.438 55.739 55.300 0.002 0.000 1.176 388 M CB 0.215 32.585 32.600 -0.383 0.000 1.439 388 M HN 0.391 nan 8.290 nan 0.000 0.452 389 F N 2.883 122.606 119.950 -0.378 0.000 2.640 389 F HA 0.138 4.662 4.527 -0.005 0.000 0.331 389 F C 1.286 176.860 175.800 -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 4.257 4.556 0.017 0.000 0.289 390 H C 2.372 177.509 175.328 -0.319 0.000 1.105 390 H CA 2.260 58.226 56.048 -0.138 0.000 1.219 390 H CB -0.150 29.496 29.762 -0.192 0.000 1.351 390 H HN 0.527 nan 8.280 nan 0.000 0.481 391 R N 1.080 121.378 120.500 -0.336 0.000 2.097 391 R HA -0.137 4.215 4.340 0.021 0.000 0.236 391 R C 2.401 178.466 176.300 -0.392 0.000 1.135 391 R CA 1.590 57.452 56.100 -0.396 0.000 0.934 391 R CB 0.040 30.117 30.300 -0.372 0.000 0.846 391 R HN 0.162 nan 8.270 nan 0.000 0.431 392 K N 0.464 120.362 120.400 -0.838 0.000 2.057 392 K HA -0.175 4.157 4.320 0.021 0.000 0.207 392 K C 2.123 178.572 176.600 -0.252 0.000 1.049 392 K CA 1.062 56.962 56.287 -0.645 0.000 0.931 392 K CB -0.452 31.395 32.500 -1.089 0.000 0.714 392 K HN 0.167 nan 8.250 nan 0.000 0.440 393 L N 0.853 121.948 121.223 -0.212 0.000 1.990 393 L HA -0.199 4.154 4.340 0.021 0.000 0.213 393 L C 2.202 179.119 176.870 0.077 0.000 1.072 393 L CA 1.667 56.491 54.840 -0.026 0.000 0.755 393 L CB -0.914 41.136 42.059 -0.015 0.000 0.889 393 L HN 0.093 nan 8.230 nan 0.000 0.432 394 F N 0.577 120.540 119.950 0.022 0.000 2.095 394 F HA -0.234 4.300 4.527 0.012 0.000 0.298 394 F C 2.353 178.216 175.800 0.105 0.000 1.104 394 F CA 2.133 60.227 58.000 0.157 0.000 1.232 394 F CB -0.285 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 4.127 4.350 0.021 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 0.362 120.535 120.200 -0.045 0.000 2.106 396 E HA -0.170 4.192 4.350 0.021 0.000 0.192 396 E C 2.059 178.635 176.600 -0.040 0.000 0.984 396 E CA 0.488 56.871 56.400 -0.029 0.000 0.806 396 E CB 0.007 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 0.975 122.166 121.223 -0.054 0.000 2.083 397 L HA -0.126 4.226 4.340 0.021 0.000 0.209 397 L C 2.313 179.177 176.870 -0.010 0.000 1.083 397 L CA 1.651 56.464 54.840 -0.046 0.000 0.752 397 L CB -1.174 40.858 42.059 -0.044 0.000 0.899 397 L HN 0.042 nan 8.230 nan 0.000 0.433 398 A N -0.768 121.975 122.820 -0.128 0.000 1.873 398 A HA -0.213 4.119 4.320 0.021 0.000 0.215 398 A C 2.432 179.984 177.584 -0.053 0.000 1.186 398 A CA 1.509 53.458 52.037 -0.146 0.000 0.616 398 A CB -0.401 18.382 19.000 -0.362 0.000 0.823 398 A HN 0.296 nan 8.150 nan 0.000 0.442 399 R N -0.123 120.347 120.500 -0.050 0.000 2.091 399 R HA -0.075 4.277 4.340 0.021 0.000 0.238 399 R C 2.383 178.693 176.300 0.017 0.000 1.136 399 R CA 1.482 57.572 56.100 -0.016 0.000 0.959 399 R CB -0.684 29.608 30.300 -0.013 0.000 0.856 399 R HN 0.516 nan 8.270 nan 0.000 0.437 400 A N 0.236 123.064 122.820 0.015 0.000 1.948 400 A HA -0.197 4.136 4.320 0.021 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 0.447 nan 8.150 nan 0.000 0.449 401 S N -0.726 115.017 115.700 0.072 0.000 2.568 401 S HA 0.121 4.603 4.470 0.021 0.000 0.232 401 S C 1.379 176.039 174.600 0.100 0.000 0.975 401 S CA 0.639 58.899 58.200 0.100 0.000 0.949 401 S CB -0.245 63.034 63.200 0.130 0.000 0.829 401 S HN 0.771 nan 8.310 nan 0.000 0.479 402 S N 1.651 117.392 115.700 0.068 0.000 2.423 402 S HA -0.278 4.204 4.470 0.021 0.000 0.238 402 S C 1.439 176.027 174.600 -0.020 0.000 1.028 402 S CA 1.596 59.797 58.200 0.001 0.000 1.000 402 S CB -0.942 62.228 63.200 -0.050 0.000 0.797 402 S HN 0.716 nan 8.310 nan 0.000 0.487 403 H N 1.492 120.562 119.070 -0.000 0.000 2.457 403 H HA 0.242 4.810 4.556 0.020 0.000 0.294 403 H C 1.442 176.769 175.328 -0.002 0.000 1.064 403 H CA 1.071 57.117 56.048 -0.002 0.000 1.330 403 H CB -0.201 29.561 29.762 -0.000 0.000 1.395 403 H HN 0.465 nan 8.280 nan 0.000 0.541 404 S N 0.050 115.820 115.700 0.116 0.000 2.584 404 S HA 0.155 4.638 4.470 0.021 0.000 0.273 404 S C 0.898 175.513 174.600 0.025 0.000 1.311 404 S CA -0.034 58.205 58.200 0.065 0.000 1.034 404 S CB 0.620 63.860 63.200 0.067 0.000 0.939 404 S HN 0.436 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 4.594 4.350 0.021 0.000 0.298 405 T C -0.242 174.434 174.700 -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 1.369 121.746 120.400 -0.038 0.000 2.533 406 D HA 0.056 4.708 4.640 0.021 0.000 0.236 406 D C 1.351 177.569 176.300 -0.137 0.000 1.137 406 D CA -0.018 53.934 54.000 -0.081 0.000 0.867 406 D CB 0.502 41.274 40.800 -0.046 0.000 1.170 406 D HN 0.167 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 -0.192 4.160 4.340 0.021 0.000 0.208 407 L C 2.220 178.881 176.870 -0.349 0.000 1.077 407 L CA 0.898 55.527 54.840 -0.353 0.000 0.747 407 L CB -0.428 41.261 42.059 -0.618 0.000 0.896 407 L HN 0.632 nan 8.230 nan 0.000 0.432 408 M N -0.009 119.321 119.600 -0.451 0.000 2.175 408 M HA -0.172 4.321 4.480 0.021 0.000 0.264 408 M C 2.034 178.352 176.300 0.029 0.000 1.063 408 M CA 1.684 56.923 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 -0.326 119.878 120.200 0.007 0.000 2.085 409 E HA -0.209 4.154 4.350 0.021 0.000 0.194 409 E C 1.959 178.543 176.600 -0.027 0.000 0.994 409 E CA 1.381 57.824 56.400 0.071 0.000 0.801 409 E CB -0.295 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 1.228 124.023 122.820 -0.041 0.000 1.883 410 A HA -0.215 4.117 4.320 0.021 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 4.332 4.480 0.021 0.000 0.260 411 M C 2.549 178.893 176.300 0.073 0.000 1.068 411 M CA 1.679 57.043 55.300 0.107 0.000 1.109 411 M CB -1.678 31.056 32.600 0.223 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 4.115 4.320 0.021 0.000 0.217 412 A C 2.258 179.872 177.584 0.051 0.000 1.198 412 A CA 2.163 54.265 52.037 0.108 0.000 0.629 412 A CB -0.743 18.389 19.000 0.219 0.000 0.830 412 A HN 0.520 nan 8.150 nan 0.000 0.446 413 M N -0.676 118.872 119.600 -0.087 0.000 2.108 413 M HA -0.137 4.355 4.480 0.021 0.000 0.261 413 M C 2.308 178.632 176.300 0.039 0.000 1.066 413 M CA 1.519 56.784 55.300 -0.059 0.000 1.107 413 M CB -0.775 31.652 32.600 -0.289 0.000 1.356 413 M HN 0.543 nan 8.290 nan 0.000 0.406 414 G N -0.352 108.446 108.800 -0.002 0.000 2.418 414 G HA2 -0.178 3.795 3.960 0.021 0.000 0.217 414 G HA3 -0.178 3.795 3.960 0.021 0.000 0.217 414 G C 1.606 176.473 174.900 -0.054 0.000 1.158 414 G CA 1.143 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 0.118 115.792 115.700 -0.043 0.000 2.345 415 S HA -0.110 4.373 4.470 0.021 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 -0.394 62.789 63.200 -0.027 0.000 0.882 415 S HN 0.174 nan 8.310 nan 0.000 0.445 416 V N 1.965 121.757 119.914 -0.203 0.000 2.332 416 V HA -0.199 3.933 4.120 0.021 0.000 0.248 416 V C 2.572 178.190 176.094 -0.793 0.000 1.055 416 V CA 2.114 64.132 62.300 -0.471 0.000 1.038 416 V CB -0.776 30.862 31.823 -0.309 0.000 0.651 416 V HN 0.392 nan 8.190 nan 0.000 0.450 417 E N 0.969 120.823 120.200 -0.577 0.000 2.023 417 E HA -0.231 4.131 4.350 0.021 0.000 0.196 417 E C 2.188 178.644 176.600 -0.239 0.000 1.003 417 E CA 1.988 58.128 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 0.281 122.992 122.820 -0.181 0.000 1.917 418 A HA -0.259 4.074 4.320 0.021 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 -1.240 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 -1.307 114.268 115.700 -0.208 0.000 2.382 419 S HA -0.210 4.273 4.470 0.021 0.000 0.228 419 S C 1.894 176.415 174.600 -0.132 0.000 1.027 419 S CA 1.561 59.644 58.200 -0.195 0.000 0.991 419 S CB -0.815 62.227 63.200 -0.263 0.000 0.823 419 S HN 0.528 nan 8.310 nan 0.000 0.469 420 Y N 2.260 122.472 120.300 -0.147 0.000 2.145 420 Y HA 0.088 4.656 4.550 0.030 0.000 0.286 420 Y C 2.699 178.535 175.900 -0.107 0.000 1.145 420 Y CA 1.075 59.088 58.100 -0.145 0.000 1.148 420 Y CB -0.990 37.356 38.460 -0.189 0.000 0.981 420 Y HN 0.248 nan 8.280 nan 0.000 0.507 421 K N 0.771 121.212 120.400 0.069 0.000 2.032 421 K HA -0.165 4.168 4.320 0.021 0.000 0.209 421 K C 1.860 178.461 176.600 0.002 0.000 1.048 421 K CA 1.947 58.246 56.287 0.020 0.000 0.927 421 K CB -0.711 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 -0.565 118.727 119.300 -0.014 0.000 2.855 422 C HA 0.485 4.958 4.460 0.021 0.000 0.279 422 C C 0.505 175.484 174.990 -0.019 0.000 1.270 422 C CA -0.850 58.156 59.018 -0.020 0.000 1.702 422 C CB -1.405 26.315 27.740 -0.033 0.000 1.949 422 C HN 0.462 nan 8.230 nan 0.000 0.618 423 L N 0.587 121.805 121.223 -0.008 0.000 3.677 423 L HA -0.225 4.128 4.340 0.021 0.000 0.464 423 L C 1.092 177.947 176.870 -0.025 0.000 1.278 423 L CA 0.314 55.150 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 0.203 122.995 122.820 -0.047 0.000 2.507 424 A HA 0.470 4.802 4.320 0.021 0.000 0.235 424 A C 1.443 178.998 177.584 -0.048 0.000 1.070 424 A CA 0.722 52.720 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 1.046 123.831 122.820 -0.058 0.000 2.067 425 A HA 0.503 4.835 4.320 0.021 0.000 0.217 425 A C 1.081 178.705 177.584 0.066 0.000 1.156 425 A CA 1.776 53.826 52.037 0.022 0.000 0.683 425 A CB -0.461 18.559 19.000 0.035 0.000 0.808 425 A HN 2.520 nan 8.150 nan 0.000 0.455 426 A N -2.219 120.591 122.820 -0.018 0.000 2.522 426 A HA 0.572 4.904 4.320 0.021 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 0.834 122.059 121.223 0.003 0.000 2.349 427 L HA 0.608 4.961 4.340 0.021 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 1.612 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 3.923 124.498 120.570 0.009 0.000 2.315 428 I HA 0.392 4.574 4.170 0.021 0.000 0.291 428 I C -0.638 175.487 176.117 0.014 0.000 1.006 428 I CA -0.625 60.691 61.300 0.027 0.000 1.265 428 I CB 1.384 39.392 38.000 0.013 0.000 1.387 428 I HN 0.209 nan 8.210 nan 0.000 0.475 429 V N 7.680 127.608 119.914 0.022 0.000 2.444 429 V HA 0.309 4.441 4.120 0.021 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 1.781 33.610 31.823 0.010 0.000 0.992 429 V HN 0.372 nan 8.190 nan 0.000 0.426 430 L N 4.708 125.923 121.223 -0.013 0.000 2.261 430 L HA 0.649 5.002 4.340 0.021 0.000 0.289 430 L C 0.356 177.215 176.870 -0.018 0.000 1.059 430 L CA 0.910 55.736 54.840 -0.024 0.000 0.816 430 L CB 1.182 43.213 42.059 -0.047 0.000 1.191 430 L HN 0.800 nan 8.230 nan 0.000 0.431 431 T N 1.537 116.073 114.554 -0.029 0.000 2.916 431 T HA 0.440 4.803 4.350 0.021 0.000 0.305 431 T C 0.378 175.054 174.700 -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 1.107 121.286 120.200 -0.035 0.000 2.290 432 E HA 0.088 4.450 4.350 0.021 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 0.074 29.772 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 0.206 4.689 4.470 0.021 0.000 0.222 433 S C 1.709 176.250 174.600 -0.099 0.000 1.008 433 S CA 0.970 59.153 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 2.070 110.743 108.800 -0.211 0.000 2.234 434 G HA2 -0.342 3.631 3.960 0.021 0.000 0.235 434 G HA3 -0.342 3.631 3.960 0.021 0.000 0.235 434 G C 0.995 175.352 174.900 -0.904 0.000 0.997 434 G CA 0.408 45.198 45.100 -0.517 0.000 0.623 434 G HN 0.480 nan 8.290 nan 0.000 0.514 435 R N 1.200 121.420 120.500 -0.466 0.000 2.133 435 R HA -0.168 4.184 4.340 0.021 0.000 0.245 435 R C 2.619 178.815 176.300 -0.173 0.000 1.137 435 R CA 2.657 58.614 56.100 -0.239 0.000 0.947 435 R CB -0.622 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 0.392 116.030 115.700 -0.104 0.000 2.365 436 S HA -0.190 4.292 4.470 0.021 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 62.862 63.200 0.024 0.000 0.887 436 S HN 0.600 nan 8.310 nan 0.000 0.447 437 A N 1.976 124.707 122.820 -0.149 0.000 1.898 437 A HA -0.123 4.210 4.320 0.021 0.000 0.216 437 A C 1.878 179.415 177.584 -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 -0.579 118.338 119.070 -0.255 0.000 2.289 438 H HA -0.174 4.394 4.556 0.020 0.000 0.296 438 H C 2.193 177.448 175.328 -0.121 0.000 1.091 438 H CA 2.033 57.812 56.048 -0.449 0.000 1.274 438 H CB -0.738 28.653 29.762 -0.618 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 4.253 4.340 0.021 0.000 0.206 439 Q C 2.550 178.674 176.000 0.206 0.000 0.987 439 Q CA 1.246 57.139 55.803 0.150 0.000 0.858 439 Q CB -0.487 28.341 28.738 0.149 0.000 0.905 439 Q HN 0.272 nan 8.270 nan 0.000 0.420 440 V N -0.013 119.994 119.914 0.155 0.000 2.427 440 V HA -0.219 3.914 4.120 0.021 0.000 0.248 440 V C 2.091 178.293 176.094 0.179 0.000 1.051 440 V CA 1.584 63.988 62.300 0.172 0.000 1.048 440 V CB -1.025 30.858 31.823 0.100 0.000 0.666 440 V HN 0.442 nan 8.190 nan 0.000 0.456 441 A N -0.240 122.667 122.820 0.145 0.000 1.969 441 A HA -0.173 4.160 4.320 0.021 0.000 0.218 441 A C 2.391 180.057 177.584 0.137 0.000 1.169 441 A CA 1.273 53.405 52.037 0.159 0.000 0.635 441 A CB -0.515 18.603 19.000 0.197 0.000 0.810 441 A HN 0.350 nan 8.150 nan 0.000 0.445 442 R N -0.900 119.648 120.500 0.081 0.000 2.103 442 R HA -0.167 4.185 4.340 0.021 0.000 0.242 442 R C 0.357 176.493 176.300 -0.274 0.000 1.142 442 R CA 1.554 57.583 56.100 -0.117 0.000 0.960 442 R CB -0.446 29.712 30.300 -0.237 0.000 0.858 442 R HN 0.602 nan 8.270 nan 0.000 0.439 443 Y N 1.362 121.759 120.300 0.162 0.000 2.596 443 Y HA 0.212 4.773 4.550 0.018 0.000 0.316 443 Y C 0.106 176.211 175.900 0.342 0.000 1.156 443 Y CA -0.445 57.800 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 -0.063 120.616 120.500 0.299 0.000 2.879 444 R HA -0.184 4.168 4.340 0.021 0.000 0.241 444 R C -2.776 173.759 176.300 0.391 0.000 0.845 444 R CA 0.063 56.353 56.100 0.318 0.000 0.599 444 R CB -1.976 28.502 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 0.630 178.041 177.300 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 0.888 121.438 120.500 0.083 0.000 2.090 446 R HA 0.118 4.470 4.340 0.021 0.000 0.219 446 R C 0.973 177.260 176.300 -0.022 0.000 1.100 446 R CA 0.463 56.517 56.100 -0.077 0.000 0.991 446 R CB -0.406 29.696 30.300 -0.330 0.000 0.893 446 R HN 0.589 nan 8.270 nan 0.000 0.443 447 A N 2.348 125.144 122.820 -0.039 0.000 2.346 447 A HA 0.351 4.684 4.320 0.021 0.000 0.252 447 A C -2.241 175.320 177.584 -0.039 0.000 1.089 447 A CA -1.337 50.672 52.037 -0.046 0.000 0.797 447 A CB -0.071 18.903 19.000 -0.045 0.000 1.047 447 A HN 0.286 nan 8.150 nan 0.000 0.494 448 P HA 0.292 nan 4.420 nan 0.000 0.274 448 P C -0.964 176.340 177.300 0.008 0.000 1.231 448 P CA 0.160 63.206 63.100 -0.090 0.000 0.790 448 P CB 0.646 32.133 31.700 -0.354 0.000 0.951 449 I N 3.382 123.994 120.570 0.069 0.000 2.337 449 I HA 0.290 4.472 4.170 0.021 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 0.541 38.595 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 4.447 4.170 0.021 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 0.624 38.733 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 4.896 4.320 0.021 0.000 0.302 451 A C -0.240 177.373 177.584 0.049 0.000 1.266 451 A CA -0.390 51.679 52.037 0.053 0.000 0.894 451 A CB 0.522 19.532 19.000 0.016 0.000 1.147 451 A HN 0.465 nan 8.150 nan 0.000 0.537 452 V N 3.133 123.064 119.914 0.027 0.000 2.350 452 V HA 0.585 4.717 4.120 0.021 0.000 0.276 452 V C 0.549 176.636 176.094 -0.011 0.000 1.028 452 V CA -0.013 62.296 62.300 0.016 0.000 0.860 452 V CB 1.129 32.957 31.823 0.008 0.000 0.990 452 V HN 0.967 nan 8.190 nan 0.000 0.453 453 T N 4.378 118.920 114.554 -0.020 0.000 2.906 453 T HA 0.448 4.810 4.350 0.021 0.000 0.295 453 T C 0.635 175.303 174.700 -0.054 0.000 1.075 453 T CA -0.605 61.475 62.100 -0.032 0.000 1.005 453 T CB 1.842 70.691 68.868 -0.031 0.000 1.136 453 T HN 0.629 nan 8.240 nan 0.000 0.498 454 R N 1.180 121.658 120.500 -0.036 0.000 2.290 454 R HA 0.198 4.550 4.340 0.021 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 0.436 nan 8.270 nan 0.000 0.500 455 N N 0.788 119.489 118.700 0.002 0.000 2.411 455 N HA -0.028 4.724 4.740 0.021 0.000 0.259 455 N C 0.246 175.786 175.510 0.051 0.000 1.103 455 N CA 0.300 53.388 53.050 0.063 0.000 0.954 455 N CB 0.868 39.386 38.487 0.051 0.000 1.085 455 N HN 0.093 nan 8.380 nan 0.000 0.485 456 H N 2.126 121.231 119.070 0.059 0.000 2.357 456 H HA -0.087 4.482 4.556 0.021 0.000 0.301 456 H C 1.618 176.998 175.328 0.086 0.000 1.082 456 H CA 1.865 57.963 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 4.204 4.340 0.021 0.000 0.203 457 Q C 1.679 177.753 176.000 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 0.305 114.921 114.554 0.104 0.000 2.668 458 T HA -0.120 4.243 4.350 0.021 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 68.323 68.868 0.044 0.000 0.864 458 T HN 0.519 nan 8.240 nan 0.000 0.419 459 A N 1.609 124.460 122.820 0.052 0.000 1.903 459 A HA -0.243 4.090 4.320 0.021 0.000 0.219 459 A C 2.321 179.933 177.584 0.045 0.000 1.191 459 A CA 2.126 54.177 52.037 0.023 0.000 0.638 459 A CB -0.656 18.352 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 4.206 4.340 0.021 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 -0.582 119.326 119.800 0.181 0.000 2.291 461 Q HA -0.031 4.321 4.340 0.021 0.000 0.205 461 Q C 1.947 178.103 176.000 0.261 0.000 0.970 461 Q CA 0.912 56.838 55.803 0.205 0.000 0.876 461 Q CB 0.060 28.915 28.738 0.195 0.000 0.935 461 Q HN 0.347 nan 8.270 nan 0.000 0.455 462 A N 0.740 123.686 122.820 0.210 0.000 1.986 462 A HA -0.249 4.083 4.320 0.021 0.000 0.220 462 A C 1.340 179.038 177.584 0.191 0.000 1.171 462 A CA 1.645 53.816 52.037 0.224 0.000 0.640 462 A CB -0.732 18.291 19.000 0.039 0.000 0.811 462 A HN 0.424 nan 8.150 nan 0.000 0.451 463 H N -1.445 117.720 119.070 0.158 0.000 2.489 463 H HA -0.087 4.482 4.556 0.020 0.000 0.295 463 H C 1.643 177.026 175.328 0.090 0.000 1.082 463 H CA 1.139 57.245 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 0.350 nan 8.280 nan 0.000 0.548 464 L N -0.051 121.282 121.223 0.183 0.000 2.265 464 L HA -0.144 4.209 4.340 0.021 0.000 0.215 464 L C -0.183 176.545 176.870 -0.237 0.000 1.117 464 L CA 1.267 56.072 54.840 -0.057 0.000 0.782 464 L CB -0.573 41.379 42.059 -0.179 0.000 0.914 464 L HN 0.242 nan 8.230 nan 0.000 0.441 465 Y N -0.889 119.430 120.300 0.030 0.000 2.330 465 Y HA 0.435 4.997 4.550 0.020 0.000 0.336 465 Y C 0.811 176.746 175.900 0.058 0.000 1.036 465 Y CA -1.278 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 1.602 122.206 120.500 0.174 0.000 2.502 466 R HA 0.266 4.619 4.340 0.021 0.000 0.292 466 R C 1.168 177.565 176.300 0.162 0.000 0.998 466 R CA 1.252 57.435 56.100 0.138 0.000 1.056 466 R CB -0.439 29.924 30.300 0.105 0.000 0.939 466 R HN 0.971 nan 8.270 nan 0.000 0.411 467 G N 3.838 112.724 108.800 0.144 0.000 2.267 467 G HA2 -0.310 3.663 3.960 0.021 0.000 0.257 467 G HA3 -0.310 3.663 3.960 0.021 0.000 0.257 467 G C 0.279 175.271 174.900 0.153 0.000 0.998 467 G CA 0.285 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 0.886 121.554 120.570 0.163 0.000 2.396 468 I HA 0.406 4.589 4.170 0.021 0.000 0.289 468 I C -0.100 176.101 176.117 0.139 0.000 1.056 468 I CA -0.507 60.882 61.300 0.147 0.000 1.365 468 I CB 0.685 38.761 38.000 0.126 0.000 1.407 468 I HN 0.083 nan 8.210 nan 0.000 0.509 469 F N 10.270 130.241 119.950 0.035 0.000 2.307 469 F HA 0.458 4.997 4.527 0.020 0.000 0.369 469 F C -2.119 173.689 175.800 0.013 0.000 1.076 469 F CA -2.985 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 0.082 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 63.263 63.100 -0.024 0.000 0.771 470 P CB 1.901 33.486 31.700 -0.193 0.000 0.858 471 V N 3.892 123.869 119.914 0.105 0.000 2.623 471 V HA 0.163 4.296 4.120 0.021 0.000 0.304 471 V C 0.082 176.211 176.094 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 34.344 31.823 0.144 0.000 1.002 471 V HN 0.253 nan 8.190 nan 0.000 0.424 472 V N 3.937 123.889 119.914 0.063 0.000 2.364 472 V HA 0.233 4.365 4.120 0.021 0.000 0.272 472 V C 0.391 176.465 176.094 -0.033 0.000 1.036 472 V CA -0.427 61.845 62.300 -0.047 0.000 0.880 472 V CB 1.299 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 6.531 125.804 119.300 -0.046 0.000 2.576 473 C HA 0.316 4.789 4.460 0.021 0.000 0.401 473 C C 1.412 176.386 174.990 -0.027 0.000 1.314 473 C CA -0.306 58.697 59.018 -0.025 0.000 1.855 473 C CB -0.604 27.120 27.740 -0.026 0.000 2.537 473 C HN 1.008 nan 8.230 nan 0.000 0.578 474 K N 2.714 123.110 120.400 -0.007 0.000 2.358 474 K HA 0.145 4.478 4.320 0.021 0.000 0.200 474 K C 0.057 176.665 176.600 0.013 0.000 1.030 474 K CA -0.176 56.119 56.287 0.014 0.000 1.097 474 K CB 0.213 32.721 32.500 0.013 0.000 0.862 474 K HN 0.722 nan 8.250 nan 0.000 0.534 475 D N 3.021 123.422 120.400 0.002 0.000 2.372 475 D HA 0.081 4.733 4.640 0.021 0.000 0.243 475 D C -2.165 174.137 176.300 0.002 0.000 1.121 475 D CA -1.233 52.767 54.000 -0.001 0.000 0.898 475 D CB 0.918 41.712 40.800 -0.010 0.000 1.202 475 D HN 0.027 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 0.751 32.456 31.700 0.007 0.000 0.951 477 V N 2.549 122.470 119.914 0.012 0.000 2.644 477 V HA -0.100 4.032 4.120 0.021 0.000 0.305 477 V C 1.136 177.237 176.094 0.012 0.000 1.053 477 V CA 0.692 63.001 62.300 0.015 0.000 1.186 477 V CB -0.580 31.262 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 4.510 4.340 0.021 0.000 0.236 478 Q C 1.148 177.162 176.000 0.024 0.000 0.965 478 Q CA 0.006 55.810 55.803 0.001 0.000 0.894 478 Q CB 0.709 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 1.143 121.357 120.200 0.023 0.000 2.031 479 E HA -0.079 4.283 4.350 0.021 0.000 0.193 479 E C -0.536 176.099 176.600 0.059 0.000 0.994 479 E CA 0.980 57.402 56.400 0.036 0.000 0.800 479 E CB 0.022 29.737 29.700 0.025 0.000 0.752 479 E HN 0.612 nan 8.360 nan 0.000 0.447 480 A N 1.900 124.749 122.820 0.049 0.000 2.302 480 A HA 0.050 4.383 4.320 0.021 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 -0.477 18.548 19.000 0.042 0.000 1.133 480 A HN 0.556 nan 8.150 nan 0.000 0.533 481 W N 3.510 124.796 121.300 -0.023 0.000 2.290 481 W HA -0.383 4.289 4.660 0.020 0.000 0.323 481 W C 1.650 178.151 176.519 -0.030 0.000 1.260 481 W CA 2.799 60.124 57.345 -0.034 0.000 1.266 481 W CB -0.485 28.951 29.460 -0.040 0.000 1.149 481 W HN 0.758 nan 8.180 nan 0.000 0.482 482 A N 0.773 123.535 122.820 -0.096 0.000 1.903 482 A HA -0.303 4.029 4.320 0.021 0.000 0.219 482 A C 1.859 179.299 177.584 -0.240 0.000 1.191 482 A CA 2.371 54.285 52.037 -0.206 0.000 0.638 482 A CB -1.149 17.839 19.000 -0.021 0.000 0.823 482 A HN 0.584 nan 8.150 nan 0.000 0.451 483 E N -0.958 119.156 120.200 -0.143 0.000 2.047 483 E HA -0.208 4.154 4.350 0.021 0.000 0.191 483 E C 1.823 178.319 176.600 -0.173 0.000 0.987 483 E CA 1.168 57.494 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 4.503 4.640 0.021 0.000 0.201 484 D C 1.805 177.906 176.300 -0.333 0.000 0.986 484 D CA 0.753 54.621 54.000 -0.220 0.000 0.847 484 D CB 0.200 40.893 40.800 -0.178 0.000 0.942 484 D HN -0.054 nan 8.370 nan 0.000 0.467 485 V N 0.600 120.198 119.914 -0.527 0.000 2.270 485 V HA -0.195 3.937 4.120 0.021 0.000 0.245 485 V C 1.786 177.710 176.094 -0.284 0.000 1.043 485 V CA 1.968 63.954 62.300 -0.523 0.000 1.014 485 V CB -0.522 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 4.481 4.640 0.021 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 0.779 121.932 121.223 -0.118 0.000 1.971 487 L HA -0.191 4.162 4.340 0.021 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 41.636 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 4.227 4.340 0.021 0.000 0.237 488 R C 2.158 178.425 176.300 -0.056 0.000 1.137 488 R CA 1.722 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 1.386 121.254 119.914 -0.075 0.000 2.407 489 V HA -0.264 3.869 4.120 0.021 0.000 0.248 489 V C 2.124 178.206 176.094 -0.020 0.000 1.055 489 V CA 1.857 64.127 62.300 -0.049 0.000 1.049 489 V CB -0.623 31.157 31.823 -0.071 0.000 0.662 489 V HN 0.454 nan 8.190 nan 0.000 0.455 490 N N 0.034 118.718 118.700 -0.028 0.000 2.188 490 N HA -0.140 4.613 4.740 0.021 0.000 0.184 490 N C 1.866 177.381 175.510 0.010 0.000 1.018 490 N CA 1.372 54.418 53.050 -0.008 0.000 0.858 490 N CB -0.053 38.423 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 4.254 4.340 0.021 0.000 0.210 491 L C 2.290 179.176 176.870 0.028 0.000 1.073 491 L CA 2.056 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 -0.664 122.182 122.820 0.043 0.000 1.908 492 A HA -0.230 4.103 4.320 0.021 0.000 0.218 492 A C 2.225 179.898 177.584 0.149 0.000 1.181 492 A CA 2.217 54.303 52.037 0.083 0.000 0.627 492 A CB -0.597 18.454 19.000 0.085 0.000 0.818 492 A HN 0.529 nan 8.150 nan 0.000 0.445 493 M N -0.124 119.568 119.600 0.154 0.000 2.149 493 M HA -0.175 4.318 4.480 0.021 0.000 0.261 493 M C 1.680 178.093 176.300 0.189 0.000 1.064 493 M CA 1.574 57.031 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 -0.345 118.388 118.700 0.055 0.000 2.173 494 N HA -0.075 4.677 4.740 0.021 0.000 0.184 494 N C 1.796 177.234 175.510 -0.120 0.000 1.025 494 N CA 0.728 53.765 53.050 -0.022 0.000 0.852 494 N CB 0.123 38.600 38.487 -0.015 0.000 0.998 494 N HN 0.031 nan 8.380 nan 0.000 0.427 495 V N 1.095 120.941 119.914 -0.115 0.000 2.252 495 V HA -0.239 3.893 4.120 0.021 0.000 0.249 495 V C 2.437 178.239 176.094 -0.486 0.000 1.056 495 V CA 2.238 64.408 62.300 -0.217 0.000 1.022 495 V CB -1.288 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 -0.531 107.958 108.800 -0.520 0.000 2.446 496 G HA2 -0.262 3.710 3.960 0.021 0.000 0.217 496 G HA3 -0.262 3.710 3.960 0.021 0.000 0.217 496 G C 1.657 175.854 174.900 -1.173 0.000 1.168 496 G CA 0.961 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 0.546 120.508 120.400 -0.729 0.000 2.057 497 K HA -0.021 4.311 4.320 0.021 0.000 0.207 497 K C 2.979 179.379 176.600 -0.334 0.000 1.049 497 K CA 1.076 57.129 56.287 -0.390 0.000 0.931 497 K CB -0.259 32.173 32.500 -0.112 0.000 0.714 497 K HN 0.287 nan 8.250 nan 0.000 0.440 498 A N 1.398 124.023 122.820 -0.324 0.000 1.855 498 A HA -0.143 4.190 4.320 0.021 0.000 0.215 498 A C 2.027 179.403 177.584 -0.346 0.000 1.191 498 A CA 1.328 53.207 52.037 -0.263 0.000 0.613 498 A CB -0.330 18.546 19.000 -0.207 0.000 0.829 498 A HN 0.099 nan 8.150 nan 0.000 0.442 499 R N -0.886 119.267 120.500 -0.579 0.000 2.357 499 R HA 0.119 4.471 4.340 0.021 0.000 0.202 499 R C 1.273 177.202 176.300 -0.619 0.000 1.047 499 R CA 0.719 56.366 56.100 -0.755 0.000 1.034 499 R CB -0.791 28.596 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 3.709 3.960 0.021 0.000 0.244 500 G HA3 -0.263 3.709 3.960 0.021 0.000 0.244 500 G C 0.459 175.351 174.900 -0.013 0.000 1.005 500 G CA 0.220 45.205 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 -0.375 0.000 2.416 501 F HA 0.406 4.947 4.527 0.022 0.000 0.296 501 F C 1.266 176.993 175.800 -0.121 0.000 1.099 501 F CA 0.358 58.177 58.000 -0.301 0.000 1.427 501 F CB -0.479 38.257 39.000 -0.440 0.000 1.079 501 F HN 0.462 nan 8.300 nan 0.000 0.536 502 F N -1.714 118.310 119.950 0.122 0.000 2.769 502 F HA 0.547 5.086 4.527 0.020 0.000 0.313 502 F C -1.155 174.656 175.800 0.017 0.000 1.146 502 F CA -2.445 55.588 58.000 0.056 0.000 0.934 502 F CB 0.636 39.665 39.000 0.047 0.000 1.283 502 F HN -0.223 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 4.845 4.320 0.021 0.000 0.235 503 K C -0.959 175.749 176.600 0.181 0.000 1.035 503 K CA -1.218 55.186 56.287 0.195 0.000 0.868 503 K CB 1.064 33.618 32.500 0.091 0.000 1.232 503 K HN 0.812 nan 8.250 nan 0.000 0.459 504 K N 0.015 120.484 120.400 0.114 0.000 2.530 504 K HA 0.069 4.402 4.320 0.021 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 3.255 112.060 108.800 0.009 0.000 2.397 505 G HA2 -0.232 3.741 3.960 0.021 0.000 0.211 505 G HA3 -0.232 3.741 3.960 0.021 0.000 0.211 505 G C -0.437 174.448 174.900 -0.025 0.000 1.077 505 G CA 0.068 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 1.024 121.413 120.400 -0.018 0.000 2.443 506 D HA 0.406 5.058 4.640 0.021 0.000 0.234 506 D C 0.857 177.086 176.300 -0.119 0.000 1.172 506 D CA 0.174 54.147 54.000 -0.046 0.000 0.878 506 D CB 1.136 41.932 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 0.483 4.616 4.120 0.021 0.000 0.295 507 V C 0.393 176.374 176.094 -0.187 0.000 1.053 507 V CA -0.435 61.788 62.300 -0.127 0.000 0.987 507 V CB 1.766 33.540 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 4.589 4.120 0.021 0.000 0.304 508 V C -0.951 175.057 176.094 -0.144 0.000 1.192 508 V CA -0.529 61.639 62.300 -0.221 0.000 0.962 508 V CB 2.239 33.834 31.823 -0.380 0.000 1.045 508 V HN 0.671 nan 8.190 nan 0.000 0.428 509 I N 3.993 124.495 120.570 -0.113 0.000 2.396 509 I HA 0.522 4.704 4.170 0.021 0.000 0.292 509 I C -0.259 175.819 176.117 -0.064 0.000 0.999 509 I CA -0.031 61.221 61.300 -0.080 0.000 1.310 509 I CB 1.761 39.717 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 4.574 4.120 0.021 0.000 0.297 510 V C -0.324 175.762 176.094 -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 5.496 126.718 121.223 -0.002 0.000 2.305 511 L HA 0.769 5.121 4.340 0.021 0.000 0.284 511 L C 0.342 177.223 176.870 0.018 0.000 1.013 511 L CA -0.045 54.806 54.840 0.020 0.000 0.819 511 L CB 1.955 44.036 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 5.075 4.350 0.021 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 1.782 70.663 68.868 0.022 0.000 1.234 512 T HN 0.498 nan 8.240 nan 0.000 0.526 513 G N -0.989 107.904 108.800 0.155 0.000 2.563 513 G HA2 0.448 4.420 3.960 0.021 0.000 0.283 513 G HA3 0.448 4.420 3.960 0.021 0.000 0.283 513 G C 0.132 175.141 174.900 0.181 0.000 1.309 513 G CA -0.422 44.692 45.100 0.023 0.000 1.022 513 G HN 1.031 nan 8.290 nan 0.000 0.501 514 W N -0.906 120.347 121.300 -0.079 0.000 2.735 514 W HA 0.402 5.074 4.660 0.020 0.000 0.264 514 W C 0.798 177.107 176.519 -0.349 0.000 1.233 514 W CA -0.065 57.221 57.345 -0.098 0.000 1.408 514 W CB 0.227 29.592 29.460 -0.159 0.000 1.038 514 W HN 0.608 nan 8.180 nan 0.000 0.603 515 R N 1.472 121.227 120.500 -1.242 0.000 2.774 515 R HA 0.477 4.830 4.340 0.021 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 1.568 31.448 30.300 -0.701 0.000 1.227 515 R HN -0.341 nan 8.270 nan 0.000 0.468 516 P HA 0.006 nan 4.420 nan 0.000 0.264 516 P C 0.218 177.160 177.300 -0.597 0.000 1.183 516 P CA 1.554 64.053 63.100 -1.002 0.000 0.763 516 P CB 0.611 32.111 31.700 -0.334 0.000 0.807 517 G N 1.994 110.570 108.800 -0.373 0.000 2.198 517 G HA2 -0.226 3.746 3.960 0.021 0.000 0.257 517 G HA3 -0.226 3.746 3.960 0.021 0.000 0.257 517 G C 0.325 174.979 174.900 -0.410 0.000 1.042 517 G CA 0.031 44.964 45.100 -0.279 0.000 0.791 517 G HN 0.605 nan 8.290 nan 0.000 0.502 518 S N -0.948 114.346 115.700 -0.678 0.000 2.580 518 S HA 0.430 4.912 4.470 0.021 0.000 0.266 518 S C 1.914 176.229 174.600 -0.474 0.000 1.354 518 S CA 0.356 57.913 58.200 -1.072 0.000 1.008 518 S CB 1.160 63.379 63.200 -1.636 0.000 0.898 518 S HN 1.140 nan 8.310 nan 0.000 0.555 519 G N -0.043 108.624 108.800 -0.221 0.000 2.430 519 G HA2 0.244 4.217 3.960 0.021 0.000 0.216 519 G HA3 0.244 4.217 3.960 0.021 0.000 0.216 519 G C 0.047 175.160 174.900 0.355 0.000 1.146 519 G CA 0.618 45.855 45.100 0.230 0.000 0.793 519 G HN 0.636 nan 8.290 nan 0.000 0.537 520 F N -1.836 118.169 119.950 0.091 0.000 2.713 520 F HA 0.518 5.057 4.527 0.020 0.000 0.311 520 F C -0.367 175.515 175.800 0.137 0.000 1.141 520 F CA -1.438 56.624 58.000 0.103 0.000 0.939 520 F CB 0.513 39.600 39.000 0.146 0.000 1.325 520 F HN -0.051 nan 8.300 nan 0.000 0.453 521 T N 0.437 115.040 114.554 0.083 0.000 2.848 521 T HA 0.135 4.498 4.350 0.021 0.000 0.283 521 T C 0.572 175.282 174.700 0.017 0.000 0.919 521 T CA -0.168 61.936 62.100 0.006 0.000 1.071 521 T CB -0.455 68.454 68.868 0.068 0.000 0.912 521 T HN 0.800 nan 8.240 nan 0.000 0.570 522 N N 2.202 120.788 118.700 -0.189 0.000 2.398 522 N HA -0.027 4.725 4.740 0.021 0.000 0.188 522 N C -0.466 175.085 175.510 0.067 0.000 1.122 522 N CA -0.331 52.672 53.050 -0.078 0.000 0.866 522 N CB 0.313 38.637 38.487 -0.272 0.000 0.970 522 N HN 0.488 nan 8.380 nan 0.000 0.462 523 T N 1.585 116.183 114.554 0.073 0.000 2.792 523 T HA 0.421 4.783 4.350 0.021 0.000 0.280 523 T C -0.565 174.168 174.700 0.055 0.000 0.990 523 T CA -0.653 61.492 62.100 0.074 0.000 0.960 523 T CB 2.089 71.014 68.868 0.094 0.000 0.939 523 T HN 0.110 nan 8.240 nan 0.000 0.439 524 M N 4.364 123.988 119.600 0.041 0.000 2.393 524 M HA 0.624 5.116 4.480 0.021 0.000 0.299 524 M C -1.608 174.695 176.300 0.005 0.000 1.103 524 M CA -0.676 54.637 55.300 0.021 0.000 0.910 524 M CB 1.980 34.593 32.600 0.021 0.000 1.659 524 M HN 0.807 nan 8.290 nan 0.000 0.445 525 R N 2.950 123.443 120.500 -0.010 0.000 2.604 525 R HA 0.625 4.978 4.340 0.021 0.000 0.270 525 R C -2.006 174.271 176.300 -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 31.639 30.300 -0.016 0.000 1.233 525 R HN 0.438 nan 8.270 nan 0.000 0.455 526 V N 2.574 122.464 119.914 -0.040 0.000 2.488 526 V HA 0.357 4.489 4.120 0.021 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 1.205 32.999 31.823 -0.049 0.000 0.989 526 V HN 0.538 nan 8.190 nan 0.000 0.475 527 V N 6.568 126.435 119.914 -0.078 0.000 3.007 527 V HA 0.562 4.694 4.120 0.021 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 0.363 nan 4.420 nan 0.000 0.284 528 P C -0.810 176.423 177.300 -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 33.436 31.700 -0.059 0.000 1.038 529 V N 5.148 124.982 119.914 -0.134 0.000 2.470 529 V HA 0.112 4.244 4.120 0.021 0.000 0.276 529 V C -1.224 174.854 176.094 -0.027 0.000 1.040 529 V CA -1.123 61.106 62.300 -0.118 0.000 1.008 529 V CB 0.157 31.900 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