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_B 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 4.628 4.340 0.009 0.000 0.190 13 Q C 0.423 176.432 176.000 0.015 0.000 1.173 13 Q CA 0.257 56.066 55.803 0.010 0.000 1.266 13 Q CB 0.388 29.144 28.738 0.030 0.000 1.338 13 Q HN 0.710 nan 8.270 nan 0.000 0.707 14 T N -3.807 110.760 114.554 0.022 0.000 2.888 14 T HA 0.265 4.621 4.350 0.009 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 1.486 70.366 68.868 0.020 0.000 1.214 14 T HN 0.632 nan 8.240 nan 0.000 0.533 15 Q N -0.101 119.715 119.800 0.027 0.000 2.461 15 Q HA -0.270 4.076 4.340 0.009 0.000 0.264 15 Q C -0.086 175.944 176.000 0.050 0.000 1.085 15 Q CA 0.746 56.570 55.803 0.035 0.000 1.006 15 Q CB -1.434 27.318 28.738 0.024 0.000 1.437 15 Q HN 0.810 nan 8.270 nan 0.000 0.514 16 Q N -1.587 118.236 119.800 0.039 0.000 2.461 16 Q HA -0.226 4.120 4.340 0.009 0.000 0.273 16 Q C 0.639 176.670 176.000 0.052 0.000 1.163 16 Q CA 1.243 57.065 55.803 0.032 0.000 0.929 16 Q CB -1.352 27.401 28.738 0.025 0.000 1.334 16 Q HN 0.712 nan 8.270 nan 0.000 0.499 17 L N -1.770 119.488 121.223 0.060 0.000 2.131 17 L HA -0.211 4.134 4.340 0.009 0.000 0.210 17 L C 2.088 179.000 176.870 0.069 0.000 1.092 17 L CA 1.643 56.519 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 0.370 119.435 119.070 -0.008 0.000 2.387 18 H HA -0.146 4.417 4.556 0.011 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 0.271 nan 8.280 nan 0.000 0.513 19 A N 0.535 123.253 122.820 -0.169 0.000 2.014 19 A HA 0.105 4.430 4.320 0.009 0.000 0.218 19 A C 2.583 180.157 177.584 -0.015 0.000 1.163 19 A CA 1.161 53.036 52.037 -0.269 0.000 0.652 19 A CB -1.070 17.661 19.000 -0.449 0.000 0.808 19 A HN 0.595 nan 8.150 nan 0.000 0.449 20 A N -0.517 122.352 122.820 0.083 0.000 1.978 20 A HA -0.127 4.199 4.320 0.009 0.000 0.220 20 A C 1.964 179.620 177.584 0.120 0.000 1.170 20 A CA 1.795 53.942 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 -0.071 119.532 119.600 0.004 0.000 2.686 21 M HA 0.150 4.635 4.480 0.009 0.000 0.246 21 M C 1.179 177.464 176.300 -0.026 0.000 1.096 21 M CA 0.191 55.478 55.300 -0.021 0.000 1.076 21 M CB -1.751 30.814 32.600 -0.059 0.000 1.504 21 M HN 0.398 nan 8.290 nan 0.000 0.524 22 A N 1.193 123.990 122.820 -0.037 0.000 2.520 22 A HA 0.029 4.355 4.320 0.009 0.000 0.235 22 A C 0.956 178.598 177.584 0.098 0.000 1.065 22 A CA 0.088 52.089 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 -0.188 120.245 120.400 0.056 0.000 2.197 23 D HA 0.021 4.666 4.640 0.009 0.000 0.212 23 D C 1.209 177.595 176.300 0.144 0.000 0.963 23 D CA 2.007 56.060 54.000 0.088 0.000 0.864 23 D CB -0.053 40.774 40.800 0.045 0.000 1.009 23 D HN 0.769 nan 8.370 nan 0.000 0.479 24 T N -2.621 111.993 114.554 0.101 0.000 2.937 24 T HA 0.338 4.693 4.350 0.009 0.000 0.283 24 T C 1.005 175.720 174.700 0.025 0.000 1.012 24 T CA -0.726 61.462 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 -0.302 119.738 119.950 0.149 0.000 2.098 25 F HA 0.163 4.687 4.527 -0.004 0.000 0.294 25 F C 2.428 178.202 175.800 -0.044 0.000 1.107 25 F CA 0.659 58.675 58.000 0.027 0.000 1.234 25 F CB -0.571 38.502 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 4.035 4.340 0.009 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 -1.196 118.991 120.200 -0.022 0.000 2.015 27 E HA -0.320 4.036 4.350 0.009 0.000 0.191 27 E C 2.041 178.539 176.600 -0.170 0.000 0.991 27 E CA 1.435 57.787 56.400 -0.080 0.000 0.802 27 E CB -0.123 29.534 29.700 -0.072 0.000 0.759 27 E HN 0.541 nan 8.360 nan 0.000 0.447 28 H N 0.333 119.150 119.070 -0.423 0.000 2.321 28 H HA -0.207 4.356 4.556 0.012 0.000 0.295 28 H C 2.109 177.240 175.328 -0.329 0.000 1.102 28 H CA 2.427 58.114 56.048 -0.601 0.000 1.266 28 H CB -0.183 28.793 29.762 -1.311 0.000 1.363 28 H HN 0.132 nan 8.280 nan 0.000 0.492 29 M N -0.844 118.630 119.600 -0.211 0.000 2.065 29 M HA -0.227 4.258 4.480 0.009 0.000 0.259 29 M C 2.348 178.559 176.300 -0.149 0.000 1.071 29 M CA 2.090 57.303 55.300 -0.144 0.000 1.109 29 M CB -0.384 32.208 32.600 -0.014 0.000 1.313 29 M HN 0.487 nan 8.290 nan 0.000 0.408 30 C N 0.010 119.246 119.300 -0.105 0.000 2.410 30 C HA -0.144 4.322 4.460 0.009 0.000 0.281 30 C C 2.394 177.337 174.990 -0.078 0.000 1.318 30 C CA 0.975 59.950 59.018 -0.073 0.000 1.776 30 C CB -1.484 26.229 27.740 -0.044 0.000 1.942 30 C HN 0.510 nan 8.230 nan 0.000 0.508 31 R N -0.174 120.244 120.500 -0.136 0.000 2.317 31 R HA 0.227 4.572 4.340 0.009 0.000 0.208 31 R C 0.242 176.485 176.300 -0.095 0.000 0.914 31 R CA -0.102 55.950 56.100 -0.079 0.000 1.060 31 R CB -0.091 30.118 30.300 -0.151 0.000 1.015 31 R HN 0.479 nan 8.270 nan 0.000 0.498 32 L N 1.727 122.846 121.223 -0.173 0.000 2.540 32 L HA -0.037 4.308 4.340 0.009 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 3.482 123.857 120.400 -0.042 0.000 2.481 33 D HA 0.206 4.851 4.640 0.009 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 1.501 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 0.070 120.629 120.570 -0.018 0.000 2.916 34 I HA -0.026 4.149 4.170 0.009 0.000 0.267 34 I C 0.309 176.421 176.117 -0.008 0.000 1.263 34 I CA 0.857 62.149 61.300 -0.013 0.000 1.471 34 I CB 0.202 38.195 38.000 -0.012 0.000 1.089 34 I HN 0.032 nan 8.210 nan 0.000 0.468 35 D N 1.159 121.554 120.400 -0.010 0.000 2.340 35 D HA 0.069 4.714 4.640 0.009 0.000 0.217 35 D C 0.668 176.966 176.300 -0.004 0.000 1.081 35 D CA 0.342 54.337 54.000 -0.007 0.000 0.842 35 D CB 0.495 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 4.942 4.470 0.009 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 7.716 130.543 122.820 0.011 0.000 2.520 37 A HA 0.434 4.759 4.320 0.009 0.000 0.245 37 A C -1.941 175.654 177.584 0.018 0.000 1.072 37 A CA -0.900 51.146 52.037 0.015 0.000 0.761 37 A CB -0.166 18.844 19.000 0.017 0.000 1.004 37 A HN 0.707 nan 8.150 nan 0.000 0.499 38 P HA 0.388 nan 4.420 nan 0.000 0.276 38 P C 0.063 177.374 177.300 0.019 0.000 1.261 38 P CA -0.408 62.703 63.100 0.017 0.000 0.800 38 P CB 0.642 32.347 31.700 0.009 0.000 1.066 39 I N -2.367 118.210 120.570 0.013 0.000 3.322 39 I HA 0.203 4.378 4.170 0.009 0.000 0.296 39 I C 1.216 177.347 176.117 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 1.697 116.285 114.554 0.057 0.000 2.857 40 T HA 0.097 4.452 4.350 0.009 0.000 0.266 40 T C 1.005 175.776 174.700 0.118 0.000 1.048 40 T CA 0.990 63.169 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 2.267 125.011 122.820 -0.128 0.000 2.488 41 A HA 0.391 4.717 4.320 0.009 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 0.119 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 3.040 123.575 120.500 0.059 0.000 2.275 42 R HA 0.194 4.539 4.340 0.009 0.000 0.326 42 R C -0.231 176.124 176.300 0.092 0.000 0.973 42 R CA -0.222 55.894 56.100 0.028 0.000 0.854 42 R CB 0.218 30.504 30.300 -0.024 0.000 1.156 42 R HN 0.961 nan 8.270 nan 0.000 0.487 43 N N 0.874 119.611 118.700 0.063 0.000 2.331 43 N HA -0.052 4.693 4.740 0.009 0.000 0.180 43 N C -0.288 175.284 175.510 0.103 0.000 1.019 43 N CA 0.712 53.820 53.050 0.095 0.000 0.881 43 N CB 0.272 38.812 38.487 0.089 0.000 0.972 43 N HN 0.433 nan 8.380 nan 0.000 0.435 44 T N 0.820 115.422 114.554 0.079 0.000 2.814 44 T HA 0.233 4.588 4.350 0.009 0.000 0.297 44 T C 0.680 175.431 174.700 0.086 0.000 0.956 44 T CA -0.566 61.576 62.100 0.071 0.000 1.123 44 T CB 1.280 70.175 68.868 0.045 0.000 0.902 44 T HN 0.119 nan 8.240 nan 0.000 0.528 45 G N 2.656 111.509 108.800 0.088 0.000 2.441 45 G HA2 0.472 4.438 3.960 0.009 0.000 0.243 45 G HA3 0.472 4.438 3.960 0.009 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 2.319 122.916 120.570 0.045 0.000 2.355 46 I HA 0.267 4.442 4.170 0.009 0.000 0.288 46 I C -0.229 175.900 176.117 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 5.831 126.426 120.570 0.042 0.000 2.315 47 I HA 0.287 4.463 4.170 0.009 0.000 0.291 47 I C -0.440 175.719 176.117 0.070 0.000 1.006 47 I CA -0.320 61.022 61.300 0.069 0.000 1.265 47 I CB 1.121 39.198 38.000 0.129 0.000 1.387 47 I HN 0.527 nan 8.210 nan 0.000 0.475 48 C N 4.272 123.606 119.300 0.057 0.000 2.322 48 C HA 0.384 4.849 4.460 0.009 0.000 0.324 48 C C 0.737 175.770 174.990 0.071 0.000 1.284 48 C CA -0.557 58.496 59.018 0.059 0.000 1.606 48 C CB 0.897 28.662 27.740 0.041 0.000 2.251 48 C HN 0.659 nan 8.230 nan 0.000 0.502 49 T N 5.317 119.921 114.554 0.082 0.000 2.794 49 T HA 0.299 4.654 4.350 0.009 0.000 0.296 49 T C 0.381 175.132 174.700 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 2.914 123.540 120.570 0.094 0.000 2.499 50 I HA 0.678 4.853 4.170 0.009 0.000 0.296 50 I C 0.998 177.193 176.117 0.131 0.000 0.992 50 I CA -0.099 61.257 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 5.236 114.107 108.800 0.118 0.000 2.570 51 G HA2 0.376 4.341 3.960 0.009 0.000 0.310 51 G HA3 0.376 4.341 3.960 0.009 0.000 0.310 51 G C -2.706 172.270 174.900 0.127 0.000 1.266 51 G CA -0.314 44.881 45.100 0.158 0.000 0.825 51 G HN 0.265 nan 8.290 nan 0.000 0.483 52 P HA -0.150 nan 4.420 nan 0.000 0.216 52 P C 2.142 179.468 177.300 0.042 0.000 1.167 52 P CA 2.993 66.142 63.100 0.083 0.000 0.914 52 P CB 0.045 31.772 31.700 0.046 0.000 0.793 53 A N -1.013 121.823 122.820 0.027 0.000 2.178 53 A HA -0.111 4.214 4.320 0.009 0.000 0.218 53 A C 1.803 179.397 177.584 0.015 0.000 1.157 53 A CA 2.048 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 -3.111 112.607 115.700 0.029 0.000 2.787 54 S HA 0.228 4.703 4.470 0.009 0.000 0.255 54 S C 1.432 176.044 174.600 0.020 0.000 1.051 54 S CA -0.393 57.823 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 0.016 4.362 4.340 0.009 0.000 0.242 55 R C 1.235 177.520 176.300 -0.025 0.000 1.142 55 R CA 1.272 57.362 56.100 -0.017 0.000 0.960 55 R CB -1.168 29.115 30.300 -0.029 0.000 0.858 55 R HN 0.576 nan 8.270 nan 0.000 0.439 56 S N 0.427 116.119 115.700 -0.013 0.000 2.593 56 S HA -0.041 4.434 4.470 0.009 0.000 0.300 56 S C 1.703 176.296 174.600 -0.011 0.000 1.267 56 S CA -0.278 57.914 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 4.037 4.120 0.009 0.000 0.248 57 V C 2.531 178.616 176.094 -0.016 0.000 1.055 57 V CA 1.992 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 4.201 4.350 0.009 0.000 0.191 58 E C 2.338 178.947 176.600 0.015 0.000 0.985 58 E CA 1.793 58.190 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 2.079 116.640 114.554 0.013 0.000 2.684 59 T HA -0.145 4.210 4.350 0.009 0.000 0.267 59 T C 1.877 176.598 174.700 0.035 0.000 1.036 59 T CA 0.782 62.896 62.100 0.022 0.000 1.148 59 T CB -0.255 68.622 68.868 0.015 0.000 0.863 59 T HN -0.011 nan 8.240 nan 0.000 0.436 60 L N 1.257 122.499 121.223 0.031 0.000 2.043 60 L HA -0.074 4.272 4.340 0.009 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 -0.769 41.309 42.059 0.030 0.000 0.891 60 L HN 0.242 nan 8.230 nan 0.000 0.432 61 K N -1.028 119.427 120.400 0.091 0.000 2.103 61 K HA -0.215 4.111 4.320 0.009 0.000 0.207 61 K C 2.009 178.742 176.600 0.220 0.000 1.048 61 K CA 1.284 57.689 56.287 0.196 0.000 0.930 61 K CB -0.068 32.483 32.500 0.085 0.000 0.716 61 K HN 0.113 nan 8.250 nan 0.000 0.444 62 E N 0.480 120.751 120.200 0.119 0.000 2.204 62 E HA -0.061 4.294 4.350 0.009 0.000 0.194 62 E C 1.828 178.460 176.600 0.054 0.000 0.989 62 E CA 1.014 57.464 56.400 0.084 0.000 0.824 62 E CB 0.089 29.823 29.700 0.057 0.000 0.756 62 E HN 0.199 nan 8.360 nan 0.000 0.477 63 M N -0.469 119.163 119.600 0.053 0.000 2.099 63 M HA -0.091 4.394 4.480 0.009 0.000 0.262 63 M C 2.285 178.589 176.300 0.006 0.000 1.067 63 M CA 1.154 56.471 55.300 0.029 0.000 1.124 63 M CB -0.619 32.000 32.600 0.032 0.000 1.353 63 M HN 0.145 nan 8.290 nan 0.000 0.410 64 I N 0.520 121.107 120.570 0.029 0.000 2.151 64 I HA -0.336 3.840 4.170 0.009 0.000 0.243 64 I C 2.313 178.366 176.117 -0.107 0.000 1.080 64 I CA 1.603 62.887 61.300 -0.027 0.000 1.339 64 I CB -0.478 37.556 38.000 0.058 0.000 1.039 64 I HN 0.323 nan 8.210 nan 0.000 0.409 65 K N 0.229 120.576 120.400 -0.088 0.000 2.209 65 K HA -0.089 4.236 4.320 0.009 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 -0.084 32.382 32.500 -0.057 0.000 0.729 65 K HN 0.139 nan 8.250 nan 0.000 0.451 66 S N -1.061 114.591 115.700 -0.080 0.000 2.527 66 S HA 0.076 4.552 4.470 0.009 0.000 0.222 66 S C 1.159 175.674 174.600 -0.142 0.000 0.985 66 S CA 0.764 58.904 58.200 -0.100 0.000 0.921 66 S CB 0.686 63.864 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 3.821 3.960 0.009 0.000 0.177 67 G HA3 -0.145 3.821 3.960 0.009 0.000 0.177 67 G C 0.136 175.011 174.900 -0.042 0.000 0.999 67 G CA -0.498 44.562 45.100 -0.066 0.000 0.723 67 G HN 0.300 nan 8.290 nan 0.000 0.491 68 M N 0.983 120.551 119.600 -0.053 0.000 2.248 68 M HA 0.135 4.620 4.480 0.009 0.000 0.343 68 M C 1.094 177.301 176.300 -0.156 0.000 1.243 68 M CA 1.229 56.490 55.300 -0.066 0.000 1.025 68 M CB 0.156 32.730 32.600 -0.042 0.000 1.759 68 M HN 0.371 nan 8.290 nan 0.000 0.452 69 N N 1.480 120.054 118.700 -0.210 0.000 2.360 69 N HA 0.189 4.934 4.740 0.009 0.000 0.211 69 N C -1.150 174.097 175.510 -0.438 0.000 1.147 69 N CA -0.242 52.498 53.050 -0.516 0.000 0.866 69 N CB 1.173 39.359 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 -0.172 0.000 2.733 70 V HA 0.689 4.814 4.120 0.009 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 -0.019 0.000 2.249 71 A HA 0.734 5.060 4.320 0.009 0.000 0.314 71 A C -0.036 177.543 177.584 -0.009 0.000 1.290 71 A CA -0.493 51.546 52.037 0.003 0.000 0.893 71 A CB 0.349 19.352 19.000 0.006 0.000 1.165 71 A HN 0.859 nan 8.150 nan 0.000 0.530 72 R N 3.647 124.162 120.500 0.024 0.000 2.221 72 R HA 0.464 4.809 4.340 0.009 0.000 0.327 72 R C -0.833 175.494 176.300 0.045 0.000 1.033 72 R CA -0.463 55.638 56.100 0.000 0.000 0.887 72 R CB 0.433 30.798 30.300 0.108 0.000 1.057 72 R HN 0.607 nan 8.270 nan 0.000 0.455 73 M N 3.963 123.581 119.600 0.029 0.000 2.061 73 M HA 0.173 4.659 4.480 0.009 0.000 0.346 73 M C -0.482 175.898 176.300 0.133 0.000 1.112 73 M CA -0.949 54.413 55.300 0.103 0.000 1.021 73 M CB 0.665 33.380 32.600 0.190 0.000 1.530 73 M HN 0.458 nan 8.290 nan 0.000 0.437 74 N N 2.922 121.704 118.700 0.136 0.000 2.469 74 N HA 0.202 4.947 4.740 0.009 0.000 0.239 74 N C -0.404 175.218 175.510 0.188 0.000 1.053 74 N CA -0.221 52.948 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 1.328 121.240 119.950 -0.062 0.000 2.802 75 F HA 0.086 4.618 4.527 0.009 0.000 0.302 75 F C 2.170 178.029 175.800 0.099 0.000 1.211 75 F CA 0.114 58.122 58.000 0.013 0.000 1.431 75 F CB -0.372 38.608 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 4.444 4.470 0.009 0.000 0.231 76 S C 0.263 174.687 174.600 -0.293 0.000 0.996 76 S CA 0.674 58.889 58.200 0.024 0.000 0.942 76 S CB -0.257 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 -1.831 117.307 119.070 0.114 0.000 2.943 77 H HA 0.602 5.164 4.556 0.009 0.000 0.323 77 H C 0.274 175.597 175.328 -0.009 0.000 1.296 77 H CA -0.223 55.844 56.048 0.031 0.000 1.155 77 H CB 0.857 30.610 29.762 -0.016 0.000 1.882 77 H HN 0.210 nan 8.280 nan 0.000 0.553 78 G N 0.009 108.773 108.800 -0.061 0.000 2.814 78 G HA2 0.026 3.992 3.960 0.009 0.000 0.677 78 G HA3 0.026 3.992 3.960 0.009 0.000 0.677 78 G C -0.086 174.672 174.900 -0.236 0.000 1.429 78 G CA -0.321 44.559 45.100 -0.366 0.000 0.868 78 G HN 0.997 nan 8.290 nan 0.000 0.553 79 T N -3.024 111.375 114.554 -0.258 0.000 2.952 79 T HA 0.647 5.003 4.350 0.009 0.000 0.286 79 T C 1.239 175.888 174.700 -0.085 0.000 1.024 79 T CA 0.354 62.383 62.100 -0.117 0.000 1.029 79 T CB 1.633 70.454 68.868 -0.079 0.000 1.094 79 T HN 0.707 nan 8.240 nan 0.000 0.515 80 H N -0.260 118.664 119.070 -0.243 0.000 2.387 80 H HA -0.112 4.450 4.556 0.009 0.000 0.299 80 H C 2.145 177.367 175.328 -0.178 0.000 1.099 80 H CA 1.610 57.381 56.048 -0.461 0.000 1.315 80 H CB 0.311 29.671 29.762 -0.671 0.000 1.380 80 H HN 0.811 nan 8.280 nan 0.000 0.513 81 E N 0.546 120.777 120.200 0.051 0.000 2.085 81 E HA -0.227 4.128 4.350 0.009 0.000 0.194 81 E C 1.900 178.528 176.600 0.046 0.000 0.994 81 E CA 0.984 57.427 56.400 0.071 0.000 0.801 81 E CB -0.099 29.629 29.700 0.047 0.000 0.743 81 E HN 0.445 nan 8.360 nan 0.000 0.453 82 Y N 1.311 121.519 120.300 -0.154 0.000 2.070 82 Y HA -0.287 4.268 4.550 0.009 0.000 0.279 82 Y C 2.475 178.260 175.900 -0.192 0.000 1.134 82 Y CA 2.369 60.326 58.100 -0.237 0.000 1.113 82 Y CB -0.534 37.660 38.460 -0.443 0.000 0.981 82 Y HN 0.211 nan 8.280 nan 0.000 0.487 83 H N -0.410 118.689 119.070 0.049 0.000 2.387 83 H HA -0.135 4.427 4.556 0.009 0.000 0.299 83 H C 2.330 177.741 175.328 0.138 0.000 1.099 83 H CA 1.205 57.268 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 4.079 4.320 0.009 0.000 0.219 84 A C 2.400 180.050 177.584 0.110 0.000 1.182 84 A CA 2.028 54.267 52.037 0.337 0.000 0.633 84 A CB -0.458 18.759 19.000 0.361 0.000 0.819 84 A HN 0.555 nan 8.150 nan 0.000 0.448 85 E N -1.050 119.151 120.200 0.002 0.000 2.158 85 E HA -0.103 4.252 4.350 0.009 0.000 0.191 85 E C 1.906 178.443 176.600 -0.106 0.000 0.982 85 E CA 1.280 57.637 56.400 -0.072 0.000 0.823 85 E CB -0.097 29.521 29.700 -0.137 0.000 0.766 85 E HN 0.570 nan 8.360 nan 0.000 0.468 86 T N 1.497 115.956 114.554 -0.157 0.000 2.652 86 T HA -0.161 4.195 4.350 0.009 0.000 0.267 86 T C 1.903 176.593 174.700 -0.017 0.000 1.039 86 T CA 1.533 63.562 62.100 -0.118 0.000 1.153 86 T CB -0.258 68.566 68.868 -0.074 0.000 0.863 86 T HN 0.186 nan 8.240 nan 0.000 0.428 87 I N 1.192 121.784 120.570 0.037 0.000 2.208 87 I HA -0.228 3.948 4.170 0.009 0.000 0.245 87 I C 2.642 178.766 176.117 0.011 0.000 1.097 87 I CA 1.432 62.755 61.300 0.037 0.000 1.363 87 I CB -0.394 37.639 38.000 0.054 0.000 1.051 87 I HN 0.254 nan 8.210 nan 0.000 0.413 88 K N 1.241 121.643 120.400 0.004 0.000 2.032 88 K HA -0.226 4.100 4.320 0.009 0.000 0.209 88 K C 1.926 178.519 176.600 -0.011 0.000 1.048 88 K CA 1.909 58.193 56.287 -0.005 0.000 0.927 88 K CB -0.076 32.419 32.500 -0.008 0.000 0.712 88 K HN 0.268 nan 8.250 nan 0.000 0.441 89 N N 0.920 119.606 118.700 -0.023 0.000 2.084 89 N HA -0.156 4.590 4.740 0.009 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 0.322 nan 8.380 nan 0.000 0.423 90 V N -0.196 119.720 119.914 0.002 0.000 2.392 90 V HA -0.174 3.951 4.120 0.009 0.000 0.249 90 V C 2.239 178.352 176.094 0.030 0.000 1.059 90 V CA 1.482 63.793 62.300 0.018 0.000 1.051 90 V CB -0.669 31.166 31.823 0.020 0.000 0.658 90 V HN 0.110 nan 8.190 nan 0.000 0.455 91 R N 0.330 120.845 120.500 0.026 0.000 2.075 91 R HA -0.070 4.275 4.340 0.009 0.000 0.232 91 R C 2.560 178.881 176.300 0.035 0.000 1.126 91 R CA 1.993 58.117 56.100 0.040 0.000 0.963 91 R CB -0.845 29.470 30.300 0.026 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 4.176 4.350 0.009 0.000 0.267 92 T C 1.951 176.632 174.700 -0.032 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 4.143 4.320 0.009 0.000 0.218 93 A C 2.567 180.144 177.584 -0.012 0.000 1.188 93 A CA 2.378 54.389 52.037 -0.045 0.000 0.631 93 A CB -1.427 17.582 19.000 0.014 0.000 0.822 93 A HN 0.487 nan 8.150 nan 0.000 0.447 94 T N 0.128 114.743 114.554 0.101 0.000 2.595 94 T HA -0.126 4.230 4.350 0.009 0.000 0.264 94 T C 1.714 176.605 174.700 0.319 0.000 1.058 94 T CA 1.554 63.794 62.100 0.234 0.000 1.166 94 T CB -0.345 68.638 68.868 0.192 0.000 0.863 94 T HN 0.493 nan 8.240 nan 0.000 0.415 95 E N 1.655 121.988 120.200 0.222 0.000 2.396 95 E HA -0.081 4.275 4.350 0.009 0.000 0.200 95 E C 2.415 179.044 176.600 0.048 0.000 1.023 95 E CA 0.859 57.366 56.400 0.178 0.000 0.857 95 E CB -0.604 29.137 29.700 0.070 0.000 0.775 95 E HN 0.678 nan 8.360 nan 0.000 0.525 96 S N -0.282 115.352 115.700 -0.111 0.000 2.469 96 S HA -0.106 4.370 4.470 0.009 0.000 0.238 96 S C 1.518 175.940 174.600 -0.296 0.000 0.998 96 S CA 0.581 58.608 58.200 -0.288 0.000 0.957 96 S CB -0.367 62.536 63.200 -0.494 0.000 0.764 96 S HN 0.157 nan 8.310 nan 0.000 0.514 97 F N 1.288 121.326 119.950 0.146 0.000 2.731 97 F HA 0.575 5.107 4.527 0.009 0.000 0.298 97 F C 2.385 178.325 175.800 0.233 0.000 1.106 97 F CA -0.486 57.618 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 -0.160 122.859 122.820 0.331 0.000 2.204 98 A HA -0.250 4.075 4.320 0.009 0.000 0.220 98 A C 2.394 179.959 177.584 -0.033 0.000 1.165 98 A CA 1.758 53.762 52.037 -0.056 0.000 0.671 98 A CB -0.981 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 -0.192 4.283 4.470 0.009 0.000 0.219 99 S C 0.877 175.508 174.600 0.053 0.000 1.048 99 S CA 1.269 59.497 58.200 0.045 0.000 1.119 99 S CB -0.498 62.742 63.200 0.065 0.000 1.100 99 S HN 0.582 nan 8.310 nan 0.000 0.411 100 D N 2.268 122.727 120.400 0.098 0.000 2.346 100 D HA 0.198 4.843 4.640 0.009 0.000 0.260 100 D C -1.449 174.922 176.300 0.117 0.000 1.252 100 D CA -1.945 52.107 54.000 0.087 0.000 0.895 100 D CB 1.508 42.360 40.800 0.087 0.000 1.097 100 D HN 0.247 nan 8.370 nan 0.000 0.489 101 P HA -0.098 nan 4.420 nan 0.000 0.225 101 P C 1.583 178.959 177.300 0.126 0.000 1.148 101 P CA 0.631 63.792 63.100 0.103 0.000 0.779 101 P CB 0.436 32.164 31.700 0.046 0.000 0.780 102 I N -1.101 119.519 120.570 0.084 0.000 2.584 102 I HA -0.076 4.100 4.170 0.009 0.000 0.255 102 I C 1.909 178.057 176.117 0.052 0.000 1.145 102 I CA 0.707 62.036 61.300 0.049 0.000 1.462 102 I CB -0.161 37.841 38.000 0.005 0.000 1.102 102 I HN -0.115 nan 8.210 nan 0.000 0.433 103 L N -0.524 120.747 121.223 0.080 0.000 2.664 103 L HA 0.119 4.465 4.340 0.009 0.000 0.233 103 L C 0.472 177.388 176.870 0.077 0.000 1.113 103 L CA 0.214 55.082 54.840 0.046 0.000 0.896 103 L CB -0.941 41.132 42.059 0.024 0.000 1.163 103 L HN 0.162 nan 8.230 nan 0.000 0.497 104 Y N 2.452 122.783 120.300 0.052 0.000 2.544 104 Y HA 0.186 4.742 4.550 0.009 0.000 0.330 104 Y C 0.335 176.268 175.900 0.055 0.000 1.136 104 Y CA -0.014 58.138 58.100 0.087 0.000 1.417 104 Y CB 0.300 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 7.807 127.939 120.500 -0.613 0.000 2.393 105 R HA 0.380 4.726 4.340 0.009 0.000 0.315 105 R C -2.641 173.223 176.300 -0.727 0.000 0.952 105 R CA -1.942 53.844 56.100 -0.524 0.000 0.842 105 R CB 1.240 31.337 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 2.188 122.084 119.914 -0.030 0.000 2.482 107 V HA 0.538 4.663 4.120 0.009 0.000 0.295 107 V C 0.218 176.309 176.094 -0.005 0.000 1.026 107 V CA -0.921 61.330 62.300 -0.082 0.000 0.856 107 V CB 1.399 33.179 31.823 -0.071 0.000 1.001 107 V HN 0.678 nan 8.190 nan 0.000 0.424 108 A N 4.595 127.409 122.820 -0.010 0.000 2.386 108 A HA 0.709 5.035 4.320 0.009 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 0.761 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 1.253 121.158 119.914 -0.014 0.000 2.409 109 V HA 0.612 4.738 4.120 0.009 0.000 0.291 109 V C 0.366 176.388 176.094 -0.119 0.000 1.020 109 V CA -0.030 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 5.186 4.320 0.009 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 2.370 123.329 121.223 -0.439 0.000 2.272 111 L HA 0.414 4.759 4.340 0.009 0.000 0.289 111 L C -0.841 175.822 176.870 -0.344 0.000 1.032 111 L CA -0.513 54.118 54.840 -0.348 0.000 0.810 111 L CB 1.023 42.818 42.059 -0.440 0.000 1.205 111 L HN 0.718 nan 8.230 nan 0.000 0.422 112 D N 3.914 124.223 120.400 -0.151 0.000 2.373 112 D HA 0.136 4.781 4.640 0.009 0.000 0.227 112 D C -0.351 175.978 176.300 0.049 0.000 1.091 112 D CA -0.217 53.787 54.000 0.007 0.000 0.840 112 D CB 1.362 42.243 40.800 0.134 0.000 1.060 112 D HN 0.463 nan 8.370 nan 0.000 0.502 113 T N 3.359 117.922 114.554 0.014 0.000 2.946 113 T HA -0.057 4.299 4.350 0.009 0.000 0.311 113 T C 0.621 175.390 174.700 0.115 0.000 1.063 113 T CA 0.173 62.295 62.100 0.035 0.000 1.139 113 T CB 0.651 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 3.334 123.825 120.400 0.152 0.000 2.319 114 K HA 0.262 4.587 4.320 0.009 0.000 0.237 114 K C 0.739 177.445 176.600 0.176 0.000 1.113 114 K CA -0.440 55.948 56.287 0.168 0.000 1.072 114 K CB -0.114 32.479 32.500 0.154 0.000 1.734 114 K HN 0.769 nan 8.250 nan 0.000 0.429 115 G N 3.014 111.963 108.800 0.247 0.000 2.466 115 G HA2 0.014 3.979 3.960 0.009 0.000 0.279 115 G HA3 0.014 3.979 3.960 0.009 0.000 0.279 115 G C -2.056 172.959 174.900 0.192 0.000 1.410 115 G CA -0.741 44.528 45.100 0.281 0.000 1.065 115 G HN 0.485 nan 8.290 nan 0.000 0.547 116 P HA 0.082 nan 4.420 nan 0.000 0.252 116 P C -0.467 176.594 177.300 -0.398 0.000 1.635 116 P CA 0.497 63.520 63.100 -0.129 0.000 1.206 116 P CB -0.512 31.104 31.700 -0.140 0.000 1.911 117 E N 2.777 122.837 120.200 -0.234 0.000 2.244 117 E HA 0.575 4.930 4.350 0.009 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 1.584 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 1.819 122.262 120.570 -0.212 0.000 2.377 118 I HA 0.454 4.630 4.170 0.009 0.000 0.293 118 I C 0.221 176.295 176.117 -0.070 0.000 0.987 118 I CA -0.791 60.418 61.300 -0.151 0.000 1.185 118 I CB 1.275 39.161 38.000 -0.190 0.000 1.341 118 I HN 0.407 nan 8.210 nan 0.000 0.455 119 R N 2.763 123.227 120.500 -0.061 0.000 2.771 119 R HA 0.518 4.863 4.340 0.009 0.000 0.274 119 R C -0.539 175.743 176.300 -0.031 0.000 0.987 119 R CA -0.771 55.322 56.100 -0.011 0.000 0.908 119 R CB 2.629 32.947 30.300 0.029 0.000 1.213 119 R HN 0.738 nan 8.270 nan 0.000 0.468 120 T N -1.469 113.111 114.554 0.043 0.000 2.824 120 T HA 0.514 4.869 4.350 0.009 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 0.091 0.000 0.966 120 T CB 1.416 70.347 68.868 0.104 0.000 1.054 120 T HN 0.598 nan 8.240 nan 0.000 0.533 121 G N -0.016 109.056 108.800 0.453 0.000 2.543 121 G HA2 0.531 4.497 3.960 0.009 0.000 0.267 121 G HA3 0.531 4.497 3.960 0.009 0.000 0.267 121 G C -0.573 174.475 174.900 0.247 0.000 1.406 121 G CA -0.990 44.410 45.100 0.499 0.000 1.048 121 G HN 0.651 nan 8.290 nan 0.000 0.548 122 L N 0.214 121.533 121.223 0.159 0.000 2.375 122 L HA 0.411 4.757 4.340 0.009 0.000 0.271 122 L C 0.628 177.558 176.870 0.100 0.000 1.107 122 L CA -0.282 54.620 54.840 0.103 0.000 0.806 122 L CB 1.063 43.155 42.059 0.054 0.000 1.146 122 L HN 0.301 nan 8.230 nan 0.000 0.447 123 I N 1.996 122.619 120.570 0.088 0.000 2.532 123 I HA 0.136 4.312 4.170 0.009 0.000 0.292 123 I C 1.770 177.926 176.117 0.065 0.000 1.014 123 I CA -0.194 61.156 61.300 0.084 0.000 1.340 123 I CB 1.081 39.132 38.000 0.085 0.000 1.422 123 I HN 0.814 nan 8.210 nan 0.000 0.528 124 K N 4.665 125.105 120.400 0.067 0.000 2.250 124 K HA -0.288 4.037 4.320 0.009 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 30.891 32.500 0.054 0.000 0.892 124 K HN 1.303 nan 8.250 nan 0.000 0.481 125 G N -3.170 105.653 108.800 0.038 0.000 2.981 125 G HA2 -0.185 3.780 3.960 0.009 0.000 0.199 125 G HA3 -0.185 3.780 3.960 0.009 0.000 0.199 125 G C 1.558 176.472 174.900 0.023 0.000 1.586 125 G CA 0.925 46.041 45.100 0.027 0.000 1.162 125 G HN 1.736 nan 8.290 nan 0.000 0.538 126 S N 1.392 117.106 115.700 0.023 0.000 2.631 126 S HA 0.471 4.947 4.470 0.009 0.000 0.217 126 S C 1.628 176.244 174.600 0.027 0.000 0.958 126 S CA 1.204 59.416 58.200 0.020 0.000 0.920 126 S CB 0.658 63.867 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 4.374 3.960 0.009 0.000 0.288 127 G HA3 0.409 4.374 3.960 0.009 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 -0.930 113.644 114.554 0.032 0.000 5.496 128 T HA -0.264 4.091 4.350 0.009 0.000 0.269 128 T C 1.712 176.427 174.700 0.025 0.000 2.195 128 T CA 1.263 63.371 62.100 0.014 0.000 3.732 128 T CB -1.782 67.085 68.868 -0.001 0.000 0.680 128 T HN 1.972 nan 8.240 nan 0.000 1.131 129 A N -0.300 122.543 122.820 0.038 0.000 2.869 129 A HA -0.234 4.091 4.320 0.009 0.000 0.272 129 A C 0.287 177.910 177.584 0.066 0.000 1.332 129 A CA 2.295 54.359 52.037 0.045 0.000 0.939 129 A CB -1.266 17.751 19.000 0.029 0.000 1.018 129 A HN 0.873 nan 8.150 nan 0.000 0.696 130 E N -0.845 119.407 120.200 0.086 0.000 2.378 130 E HA 0.442 4.797 4.350 0.009 0.000 0.282 130 E C -0.202 176.528 176.600 0.217 0.000 0.910 130 E CA -0.565 55.920 56.400 0.142 0.000 0.816 130 E CB 1.829 31.608 29.700 0.131 0.000 1.359 130 E HN 0.236 nan 8.360 nan 0.000 0.397 131 V N 1.298 121.322 119.914 0.184 0.000 3.751 131 V HA 0.452 4.577 4.120 0.009 0.000 0.279 131 V C 0.711 176.913 176.094 0.181 0.000 1.010 131 V CA 0.187 62.584 62.300 0.161 0.000 1.015 131 V CB 0.999 32.871 31.823 0.082 0.000 1.240 131 V HN 0.828 nan 8.190 nan 0.000 0.438 132 E N 1.075 121.273 120.200 -0.004 0.000 2.731 132 E HA 0.512 4.867 4.350 0.009 0.000 0.248 132 E C -1.080 175.359 176.600 -0.268 0.000 1.084 132 E CA -0.666 55.517 56.400 -0.361 0.000 0.776 132 E CB 0.770 30.195 29.700 -0.457 0.000 1.404 132 E HN 0.462 nan 8.360 nan 0.000 0.395 133 L N 1.554 122.646 121.223 -0.220 0.000 2.418 133 L HA 0.487 4.833 4.340 0.009 0.000 0.274 133 L C 0.988 177.756 176.870 -0.170 0.000 1.135 133 L CA -0.114 54.640 54.840 -0.144 0.000 0.870 133 L CB -0.358 41.642 42.059 -0.097 0.000 1.154 133 L HN 0.714 nan 8.230 nan 0.000 0.462 134 K N 2.450 122.776 120.400 -0.125 0.000 2.172 134 K HA 0.579 4.904 4.320 0.009 0.000 0.276 134 K C 0.541 177.095 176.600 -0.077 0.000 1.013 134 K CA -0.381 55.841 56.287 -0.107 0.000 0.913 134 K CB 0.126 32.578 32.500 -0.080 0.000 1.055 134 K HN 0.653 nan 8.250 nan 0.000 0.461 135 K N 0.751 121.110 120.400 -0.068 0.000 2.320 135 K HA 0.416 4.742 4.320 0.009 0.000 0.273 135 K C 1.391 177.967 176.600 -0.040 0.000 1.146 135 K CA 0.715 56.972 56.287 -0.049 0.000 1.144 135 K CB -1.285 31.193 32.500 -0.037 0.000 0.878 135 K HN 2.245 nan 8.250 nan 0.000 0.458 136 G N -0.166 108.610 108.800 -0.041 0.000 2.284 136 G HA2 0.187 4.152 3.960 0.009 0.000 0.201 136 G HA3 0.187 4.152 3.960 0.009 0.000 0.201 136 G C 0.717 175.596 174.900 -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 0.015 122.811 122.820 -0.040 0.000 2.409 137 A HA 0.659 4.984 4.320 0.009 0.000 0.246 137 A C 0.716 178.279 177.584 -0.035 0.000 1.099 137 A CA 1.428 53.444 52.037 -0.036 0.000 0.789 137 A CB 0.349 19.323 19.000 -0.042 0.000 1.053 137 A HN 1.254 nan 8.150 nan 0.000 0.503 138 T N 0.413 114.950 114.554 -0.028 0.000 2.829 138 T HA 0.552 4.907 4.350 0.009 0.000 0.282 138 T C -0.785 173.900 174.700 -0.024 0.000 0.990 138 T CA -0.393 61.691 62.100 -0.026 0.000 1.028 138 T CB -0.029 68.829 68.868 -0.016 0.000 0.951 138 T HN 0.533 nan 8.240 nan 0.000 0.460 139 L N 4.774 125.981 121.223 -0.027 0.000 2.409 139 L HA 0.590 4.935 4.340 0.009 0.000 0.272 139 L C -0.571 176.291 176.870 -0.014 0.000 0.980 139 L CA -0.875 53.952 54.840 -0.022 0.000 0.826 139 L CB 1.709 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 5.892 126.293 120.400 0.001 0.000 2.253 140 K HA 0.479 4.804 4.320 0.009 0.000 0.277 140 K C -0.819 175.798 176.600 0.028 0.000 1.053 140 K CA -0.478 55.830 56.287 0.034 0.000 0.892 140 K CB 0.865 33.403 32.500 0.062 0.000 1.102 140 K HN 0.563 nan 8.250 nan 0.000 0.469 141 I N 3.368 123.954 120.570 0.028 0.000 2.395 141 I HA 0.100 4.276 4.170 0.009 0.000 0.289 141 I C 0.417 176.582 176.117 0.081 0.000 1.023 141 I CA -0.149 61.165 61.300 0.023 0.000 1.350 141 I CB 1.693 39.677 38.000 -0.025 0.000 1.409 141 I HN 0.638 nan 8.210 nan 0.000 0.507 142 T N 5.939 120.552 114.554 0.098 0.000 2.893 142 T HA 0.531 4.886 4.350 0.009 0.000 0.291 142 T C 0.316 175.137 174.700 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 1.943 123.301 121.223 0.225 0.000 2.664 143 L HA 0.346 4.691 4.340 0.009 0.000 0.233 143 L C 0.562 177.730 176.870 0.496 0.000 1.113 143 L CA -0.176 54.782 54.840 0.197 0.000 0.896 143 L CB 0.223 42.324 42.059 0.070 0.000 1.163 143 L HN 0.650 nan 8.230 nan 0.000 0.497 144 D N 0.609 121.293 120.400 0.473 0.000 2.363 144 D HA -0.061 4.585 4.640 0.009 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 0.306 41.294 40.800 0.314 0.000 1.107 144 D HN 0.120 nan 8.370 nan 0.000 0.495 145 N N 3.052 121.815 118.700 0.105 0.000 2.659 145 N HA -0.203 4.542 4.740 0.009 0.000 0.194 145 N C 1.313 176.572 175.510 -0.417 0.000 1.140 145 N CA 0.380 53.265 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 0.700 123.325 122.820 -0.324 0.000 1.872 146 A HA -0.110 4.215 4.320 0.009 0.000 0.214 146 A C 1.172 178.429 177.584 -0.545 0.000 1.187 146 A CA 0.961 52.719 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 -0.510 119.679 120.300 -0.185 0.000 2.477 147 Y HA 0.171 4.726 4.550 0.009 0.000 0.303 147 Y C 1.942 177.695 175.900 -0.245 0.000 1.202 147 Y CA 0.337 58.364 58.100 -0.123 0.000 1.282 147 Y CB -0.661 37.812 38.460 0.021 0.000 1.071 147 Y HN 0.364 nan 8.280 nan 0.000 0.510 148 M N 0.349 119.611 119.600 -0.563 0.000 2.192 148 M HA -0.281 4.204 4.480 0.009 0.000 0.259 148 M C 0.510 176.602 176.300 -0.346 0.000 1.071 148 M CA 2.082 56.788 55.300 -0.991 0.000 1.082 148 M CB 0.097 31.984 32.600 -1.189 0.000 1.373 148 M HN 0.299 nan 8.290 nan 0.000 0.408 149 E N -0.844 119.240 120.200 -0.193 0.000 2.812 149 E HA 0.143 4.498 4.350 0.009 0.000 0.211 149 E C -0.301 176.297 176.600 -0.003 0.000 0.986 149 E CA -0.045 56.315 56.400 -0.067 0.000 1.119 149 E CB 0.762 30.410 29.700 -0.087 0.000 1.046 149 E HN 0.305 nan 8.360 nan 0.000 0.474 150 K N 0.928 121.356 120.400 0.045 0.000 2.992 150 K HA 0.364 4.689 4.320 0.009 0.000 0.178 150 K C -0.854 175.842 176.600 0.159 0.000 1.122 150 K CA -0.482 55.862 56.287 0.096 0.000 0.926 150 K CB -0.374 32.183 32.500 0.095 0.000 1.121 150 K HN 0.098 nan 8.250 nan 0.000 0.610 151 C N 3.211 122.591 119.300 0.134 0.000 2.265 151 C HA 0.595 5.061 4.460 0.009 0.000 0.332 151 C C 0.042 175.087 174.990 0.091 0.000 1.248 151 C CA -1.024 58.073 59.018 0.132 0.000 1.727 151 C CB -0.304 27.526 27.740 0.151 0.000 2.348 151 C HN 0.825 nan 8.230 nan 0.000 0.519 152 D N 1.182 121.621 120.400 0.066 0.000 2.564 152 D HA 0.125 4.771 4.640 0.009 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 -0.667 119.545 120.200 0.021 0.000 2.511 153 E HA -0.056 4.299 4.350 0.009 0.000 0.196 153 E C 0.137 176.733 176.600 -0.007 0.000 1.066 153 E CA 0.466 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 4.888 4.740 0.009 0.000 0.216 154 N C -0.727 174.761 175.510 -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 39.402 38.487 -0.024 0.000 1.292 154 N HN -0.071 nan 8.380 nan 0.000 0.467 155 I N 1.271 121.813 120.570 -0.046 0.000 2.378 155 I HA 0.406 4.581 4.170 0.009 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 1.690 39.561 38.000 -0.216 0.000 1.315 155 I HN -0.063 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 0.546 4.891 4.340 0.009 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 1.453 43.547 42.059 0.058 0.000 1.259 156 L HN 0.655 nan 8.230 nan 0.000 0.403 157 W N 7.132 128.468 121.300 0.059 0.000 2.551 157 W HA 0.704 5.370 4.660 0.009 0.000 0.330 157 W C -1.581 174.981 176.519 0.071 0.000 1.063 157 W CA -0.683 56.711 57.345 0.081 0.000 1.222 157 W CB 1.536 31.069 29.460 0.121 0.000 1.349 157 W HN 0.511 nan 8.180 nan 0.000 0.536 158 L N 2.913 123.604 121.223 -0.886 0.000 2.409 158 L HA 0.527 4.872 4.340 0.009 0.000 0.262 158 L C 0.352 176.394 176.870 -1.381 0.000 0.992 158 L CA -0.883 53.459 54.840 -0.830 0.000 0.817 158 L CB 1.675 43.532 42.059 -0.337 0.000 1.350 158 L HN 0.538 nan 8.230 nan 0.000 0.411 159 D N -0.686 119.137 120.400 -0.962 0.000 2.371 159 D HA -0.138 4.507 4.640 0.009 0.000 0.221 159 D C 0.323 176.505 176.300 -0.196 0.000 0.986 159 D CA 0.693 54.339 54.000 -0.590 0.000 0.899 159 D CB -0.381 40.312 40.800 -0.177 0.000 0.902 159 D HN 0.534 nan 8.370 nan 0.000 0.530 160 Y N 2.330 122.443 120.300 -0.311 0.000 2.613 160 Y HA 0.181 4.737 4.550 0.009 0.000 0.354 160 Y C 1.007 176.813 175.900 -0.156 0.000 1.063 160 Y CA -1.197 56.792 58.100 -0.186 0.000 1.384 160 Y CB 0.452 38.814 38.460 -0.164 0.000 1.199 160 Y HN -0.296 nan 8.280 nan 0.000 0.517 161 K N 3.041 123.275 120.400 -0.277 0.000 2.057 161 K HA -0.183 4.142 4.320 0.009 0.000 0.207 161 K C 0.687 177.019 176.600 -0.447 0.000 1.049 161 K CA 1.484 57.605 56.287 -0.277 0.000 0.931 161 K CB -0.208 32.219 32.500 -0.123 0.000 0.714 161 K HN 0.732 nan 8.250 nan 0.000 0.440 162 N N 1.362 119.614 118.700 -0.746 0.000 2.421 162 N HA 0.043 4.788 4.740 0.009 0.000 0.201 162 N C 1.460 176.505 175.510 -0.776 0.000 1.198 162 N CA -0.226 52.440 53.050 -0.640 0.000 0.838 162 N CB -0.057 38.179 38.487 -0.417 0.000 1.011 162 N HN 0.139 nan 8.380 nan 0.000 0.463 163 I N 0.118 120.125 120.570 -0.937 0.000 2.248 163 I HA -0.361 3.815 4.170 0.009 0.000 0.248 163 I C 1.500 177.525 176.117 -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 37.957 38.000 -0.119 0.000 1.055 163 I HN 0.281 nan 8.210 nan 0.000 0.418 164 C N 0.433 119.627 119.300 -0.177 0.000 2.500 164 C HA -0.054 4.411 4.460 0.009 0.000 0.273 164 C C 2.349 177.285 174.990 -0.091 0.000 1.428 164 C CA 0.355 59.304 59.018 -0.116 0.000 1.766 164 C CB -1.246 26.431 27.740 -0.104 0.000 1.817 164 C HN 0.452 nan 8.230 nan 0.000 0.543 165 K N 0.443 120.780 120.400 -0.104 0.000 2.444 165 K HA 0.134 4.460 4.320 0.009 0.000 0.193 165 K C 0.948 177.531 176.600 -0.028 0.000 1.024 165 K CA 0.516 56.764 56.287 -0.065 0.000 1.077 165 K CB 0.247 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 0.683 120.589 119.914 -0.012 0.000 3.537 166 V HA 0.135 4.261 4.120 0.009 0.000 0.315 166 V C -1.166 174.936 176.094 0.014 0.000 1.541 166 V CA -0.242 62.070 62.300 0.020 0.000 1.160 166 V CB 1.532 33.399 31.823 0.073 0.000 0.998 166 V HN 0.071 nan 8.190 nan 0.000 0.473 167 V N -1.434 118.475 119.914 -0.009 0.000 2.419 167 V HA 0.692 4.818 4.120 0.009 0.000 0.287 167 V C -0.736 175.332 176.094 -0.043 0.000 1.017 167 V CA -0.638 61.650 62.300 -0.019 0.000 0.844 167 V CB 1.320 33.133 31.823 -0.016 0.000 1.011 167 V HN 0.137 nan 8.190 nan 0.000 0.429 168 D N 2.664 123.041 120.400 -0.039 0.000 2.387 168 D HA 0.434 5.079 4.640 0.009 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 0.716 120.594 119.914 -0.060 0.000 2.644 169 V HA 0.282 4.407 4.120 0.009 0.000 0.305 169 V C 1.591 177.655 176.094 -0.049 0.000 1.053 169 V CA 1.604 63.867 62.300 -0.062 0.000 1.186 169 V CB 0.362 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 3.725 3.960 0.009 0.000 0.215 170 G HA3 -0.240 3.725 3.960 0.009 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 0.760 116.434 115.700 -0.042 0.000 2.573 171 S HA 0.581 5.056 4.470 0.009 0.000 0.277 171 S C -0.036 174.529 174.600 -0.058 0.000 1.346 171 S CA 0.340 58.520 58.200 -0.034 0.000 1.034 171 S CB 1.627 64.812 63.200 -0.025 0.000 0.879 171 S HN 0.443 nan 8.310 nan 0.000 0.528 172 K N 0.749 121.120 120.400 -0.049 0.000 2.159 172 K HA 0.611 4.936 4.320 0.009 0.000 0.266 172 K C -0.920 175.586 176.600 -0.156 0.000 0.975 172 K CA -0.694 55.501 56.287 -0.153 0.000 0.865 172 K CB 1.758 34.153 32.500 -0.175 0.000 1.087 172 K HN 0.535 nan 8.250 nan 0.000 0.446 173 V N 5.115 124.864 119.914 -0.276 0.000 2.407 173 V HA 0.454 4.579 4.120 0.009 0.000 0.291 173 V C -1.586 174.340 176.094 -0.281 0.000 1.018 173 V CA -0.580 61.625 62.300 -0.159 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 4.490 124.784 120.300 -0.010 0.000 2.320 174 Y HA 0.718 5.274 4.550 0.010 0.000 0.324 174 Y C 0.319 176.221 175.900 0.003 0.000 1.190 174 Y CA -0.565 57.535 58.100 -0.000 0.000 1.215 174 Y CB 1.924 40.388 38.460 0.007 0.000 1.221 174 Y HN 0.443 nan 8.280 nan 0.000 0.486 175 V N 2.197 122.195 119.914 0.141 0.000 2.709 175 V HA 0.291 4.417 4.120 0.009 0.000 0.308 175 V C -0.801 175.356 176.094 0.106 0.000 1.062 175 V CA -1.254 61.103 62.300 0.096 0.000 0.901 175 V CB 1.711 33.565 31.823 0.050 0.000 1.003 175 V HN 0.868 nan 8.190 nan 0.000 0.425 176 D N 3.768 124.228 120.400 0.100 0.000 3.515 176 D HA -0.166 4.479 4.640 0.009 0.000 0.247 176 D C 0.263 176.621 176.300 0.097 0.000 1.084 176 D CA 1.287 55.345 54.000 0.097 0.000 1.030 176 D CB -0.789 40.067 40.800 0.092 0.000 0.946 176 D HN 1.103 nan 8.370 nan 0.000 0.420 177 D N 0.950 121.406 120.400 0.094 0.000 2.689 177 D HA -0.157 4.488 4.640 0.009 0.000 0.237 177 D C 1.209 177.553 176.300 0.074 0.000 1.148 177 D CA 2.701 56.747 54.000 0.077 0.000 0.656 177 D CB -1.183 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 -0.785 108.076 108.800 0.102 0.000 2.243 178 G HA2 -0.386 3.579 3.960 0.009 0.000 0.276 178 G HA3 -0.386 3.579 3.960 0.009 0.000 0.276 178 G C 1.289 176.295 174.900 0.176 0.000 0.997 178 G CA 0.782 45.967 45.100 0.140 0.000 0.693 178 G HN 0.594 nan 8.290 nan 0.000 0.529 179 L N -0.855 120.443 121.223 0.125 0.000 2.201 179 L HA 0.173 4.518 4.340 0.009 0.000 0.212 179 L C 1.481 178.417 176.870 0.111 0.000 1.105 179 L CA 0.873 55.777 54.840 0.105 0.000 0.775 179 L CB -0.119 41.990 42.059 0.084 0.000 0.913 179 L HN 0.309 nan 8.230 nan 0.000 0.440 180 I N -0.403 120.237 120.570 0.116 0.000 2.406 180 I HA 0.178 4.353 4.170 0.009 0.000 0.290 180 I C 0.005 176.147 176.117 0.041 0.000 0.999 180 I CA -0.314 61.024 61.300 0.063 0.000 1.124 180 I CB 1.839 39.857 38.000 0.031 0.000 1.289 180 I HN -0.011 nan 8.210 nan 0.000 0.441 181 S N 7.335 123.003 115.700 -0.053 0.000 2.568 181 S HA 0.873 5.348 4.470 0.009 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 0.499 nan 8.310 nan 0.000 0.500 182 L N 1.384 122.406 121.223 -0.335 0.000 2.422 182 L HA 0.574 4.919 4.340 0.009 0.000 0.264 182 L C -0.643 176.100 176.870 -0.211 0.000 0.984 182 L CA -0.659 54.056 54.840 -0.208 0.000 0.819 182 L CB 2.290 44.258 42.059 -0.151 0.000 1.330 182 L HN 0.785 nan 8.230 nan 0.000 0.410 183 Q N 1.882 121.596 119.800 -0.144 0.000 2.348 183 Q HA 0.404 4.749 4.340 0.009 0.000 0.265 183 Q C -1.191 174.750 176.000 -0.097 0.000 0.998 183 Q CA -0.711 55.021 55.803 -0.118 0.000 0.831 183 Q CB 2.159 30.842 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 4.051 4.120 0.009 0.000 0.279 184 V C 0.982 177.024 176.094 -0.086 0.000 0.990 184 V CA 0.471 62.713 62.300 -0.097 0.000 1.116 184 V CB 0.216 31.980 31.823 -0.098 0.000 0.977 184 V HN 0.781 nan 8.190 nan 0.000 0.470 185 K N 3.126 123.476 120.400 -0.085 0.000 2.166 185 K HA 0.094 4.419 4.320 0.009 0.000 0.201 185 K C 0.735 177.288 176.600 -0.078 0.000 1.052 185 K CA 0.772 57.018 56.287 -0.069 0.000 0.969 185 K CB 0.286 32.753 32.500 -0.055 0.000 0.761 185 K HN 0.770 nan 8.250 nan 0.000 0.459 186 Q N 0.535 120.269 119.800 -0.110 0.000 2.340 186 Q HA 0.239 4.584 4.340 0.009 0.000 0.276 186 Q C -1.246 174.614 176.000 -0.234 0.000 1.048 186 Q CA -0.616 55.106 55.803 -0.135 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 1.079 121.349 120.400 -0.217 0.000 2.155 187 K HA 0.797 5.122 4.320 0.009 0.000 0.237 187 K C -0.476 175.859 176.600 -0.441 0.000 1.040 187 K CA 0.515 56.639 56.287 -0.272 0.000 0.912 187 K CB 1.029 33.436 32.500 -0.154 0.000 1.137 187 K HN 0.713 nan 8.250 nan 0.000 0.498 188 G N -0.331 108.225 108.800 -0.406 0.000 2.550 188 G HA2 0.283 4.249 3.960 0.009 0.000 0.293 188 G HA3 0.283 4.249 3.960 0.009 0.000 0.293 188 G C -2.438 172.457 174.900 -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 -1.781 118.753 120.400 0.224 0.000 2.582 190 D HA 0.204 4.850 4.640 0.009 0.000 0.246 190 D C 0.071 176.525 176.300 0.257 0.000 1.334 190 D CA -0.624 53.473 54.000 0.162 0.000 0.805 190 D CB -0.505 40.373 40.800 0.130 0.000 1.087 190 D HN 0.197 nan 8.370 nan 0.000 0.499 191 F N -0.517 119.424 119.950 -0.016 0.000 2.685 191 F HA 0.773 5.306 4.527 0.009 0.000 0.315 191 F C -2.358 173.424 175.800 -0.031 0.000 1.126 191 F CA -1.836 56.153 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 -0.344 0.000 2.505 192 L HA 0.600 4.945 4.340 0.009 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 2.043 43.964 42.059 -0.230 0.000 1.282 192 L HN 0.791 nan 8.230 nan 0.000 0.403 193 V N 2.889 122.659 119.914 -0.241 0.000 2.394 193 V HA 0.762 4.888 4.120 0.009 0.000 0.282 193 V C 0.112 176.152 176.094 -0.090 0.000 1.031 193 V CA 0.244 62.496 62.300 -0.080 0.000 0.881 193 V CB 1.765 33.579 31.823 -0.014 0.000 0.982 193 V HN 0.920 nan 8.190 nan 0.000 0.451 194 T N 2.590 117.105 114.554 -0.065 0.000 2.888 194 T HA 0.606 4.961 4.350 0.009 0.000 0.288 194 T C -0.667 173.998 174.700 -0.059 0.000 1.063 194 T CA -0.737 61.320 62.100 -0.072 0.000 1.010 194 T CB 1.926 70.744 68.868 -0.083 0.000 1.214 194 T HN 0.784 nan 8.240 nan 0.000 0.533 195 E N 0.846 121.008 120.200 -0.065 0.000 2.176 195 E HA 0.511 4.866 4.350 0.009 0.000 0.267 195 E C -0.934 175.625 176.600 -0.068 0.000 0.893 195 E CA -0.953 55.412 56.400 -0.057 0.000 0.761 195 E CB 1.635 31.304 29.700 -0.051 0.000 1.133 195 E HN 0.558 nan 8.360 nan 0.000 0.409 196 V N 5.479 125.356 119.914 -0.061 0.000 2.485 196 V HA -0.033 4.093 4.120 0.009 0.000 0.287 196 V C 0.967 177.022 176.094 -0.064 0.000 1.022 196 V CA 0.620 62.880 62.300 -0.067 0.000 1.067 196 V CB 0.710 32.495 31.823 -0.063 0.000 0.967 196 V HN 0.831 nan 8.190 nan 0.000 0.479 197 E N 3.058 123.214 120.200 -0.072 0.000 2.094 197 E HA 0.085 4.440 4.350 0.009 0.000 0.193 197 E C 0.177 176.754 176.600 -0.039 0.000 0.950 197 E CA 0.195 56.561 56.400 -0.056 0.000 0.842 197 E CB 0.208 29.867 29.700 -0.068 0.000 0.816 197 E HN 0.612 nan 8.360 nan 0.000 0.465 198 N N 1.675 120.353 118.700 -0.037 0.000 2.439 198 N HA 0.185 4.930 4.740 0.009 0.000 0.249 198 N C -0.093 175.398 175.510 -0.033 0.000 1.003 198 N CA 0.038 53.079 53.050 -0.015 0.000 0.942 198 N CB 1.590 40.089 38.487 0.020 0.000 1.115 198 N HN 0.062 nan 8.380 nan 0.000 0.505 199 G N 0.323 109.096 108.800 -0.045 0.000 2.684 199 G HA2 0.526 4.492 3.960 0.009 0.000 0.255 199 G HA3 0.526 4.492 3.960 0.009 0.000 0.255 199 G C 0.286 175.132 174.900 -0.089 0.000 1.219 199 G CA 0.113 45.162 45.100 -0.084 0.000 0.901 199 G HN 0.656 nan 8.290 nan 0.000 0.548 200 G N -2.195 106.498 108.800 -0.179 0.000 2.337 200 G HA2 0.371 4.337 3.960 0.009 0.000 0.298 200 G HA3 0.371 4.337 3.960 0.009 0.000 0.298 200 G C -1.482 173.239 174.900 -0.299 0.000 1.335 200 G CA -1.020 43.985 45.100 -0.157 0.000 0.875 200 G HN 0.507 nan 8.290 nan 0.000 0.579 201 F N 0.896 120.862 119.950 0.026 0.000 2.303 201 F HA 0.472 5.004 4.527 0.009 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 40.410 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 4.717 4.340 0.009 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 0.575 nan 8.230 nan 0.000 0.492 203 G N 3.032 111.901 108.800 0.115 0.000 2.568 203 G HA2 0.515 4.480 3.960 0.009 0.000 0.293 203 G HA3 0.515 4.480 3.960 0.009 0.000 0.293 203 G C -0.904 174.057 174.900 0.101 0.000 1.347 203 G CA -0.618 44.544 45.100 0.103 0.000 1.039 203 G HN 0.684 nan 8.290 nan 0.000 0.523 204 S N -0.667 115.090 115.700 0.094 0.000 2.541 204 S HA 0.356 4.832 4.470 0.009 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 1.240 64.492 63.200 0.087 0.000 1.009 204 S HN 0.706 nan 8.310 nan 0.000 0.502 205 K N 1.595 122.080 120.400 0.141 0.000 3.730 205 K HA -0.186 4.139 4.320 0.009 0.000 0.276 205 K C -0.823 175.864 176.600 0.145 0.000 0.904 205 K CA 0.680 57.058 56.287 0.152 0.000 0.741 205 K CB -0.731 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 0.470 120.944 120.400 0.123 0.000 2.095 206 K HA 0.354 4.679 4.320 0.009 0.000 0.252 206 K C 0.656 177.314 176.600 0.097 0.000 0.977 206 K CA -0.001 56.355 56.287 0.116 0.000 0.900 206 K CB 1.475 34.036 32.500 0.102 0.000 1.060 206 K HN 0.420 nan 8.250 nan 0.000 0.449 207 G N 0.284 109.146 108.800 0.103 0.000 2.483 207 G HA2 0.358 4.323 3.960 0.009 0.000 0.248 207 G HA3 0.358 4.323 3.960 0.009 0.000 0.248 207 G C -0.624 174.315 174.900 0.066 0.000 1.248 207 G CA -0.363 44.787 45.100 0.084 0.000 0.838 207 G HN 0.213 nan 8.290 nan 0.000 0.566 208 V N 3.063 122.995 119.914 0.030 0.000 2.604 208 V HA 0.394 4.519 4.120 0.009 0.000 0.305 208 V C -0.464 175.634 176.094 0.008 0.000 1.043 208 V CA -1.116 61.198 62.300 0.024 0.000 0.888 208 V CB 1.841 33.657 31.823 -0.011 0.000 0.995 208 V HN 0.744 nan 8.190 nan 0.000 0.429 209 N N 4.507 123.248 118.700 0.068 0.000 2.342 209 N HA 0.546 5.291 4.740 0.009 0.000 0.293 209 N C -1.085 174.487 175.510 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 3.299 124.538 121.223 0.026 0.000 2.599 210 L HA 0.312 4.657 4.340 0.009 0.000 0.241 210 L C -2.084 174.811 176.870 0.041 0.000 1.207 210 L CA -1.551 53.315 54.840 0.043 0.000 0.987 210 L CB 0.717 42.769 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 0.643 63.769 63.100 0.042 0.000 0.768 211 P CB 0.880 32.596 31.700 0.028 0.000 0.838 212 G N 1.312 110.108 108.800 -0.006 0.000 2.363 212 G HA2 0.125 4.091 3.960 0.009 0.000 0.286 212 G HA3 0.125 4.091 3.960 0.009 0.000 0.286 212 G C -0.017 174.876 174.900 -0.012 0.000 0.975 212 G CA 0.092 45.176 45.100 -0.028 0.000 1.309 212 G HN 0.882 nan 8.290 nan 0.000 0.491 213 A N -0.051 122.760 122.820 -0.015 0.000 2.530 213 A HA 0.914 5.239 4.320 0.009 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 0.614 19.617 19.000 0.006 0.000 1.301 213 A HN 2.269 nan 8.150 nan 0.000 0.394 214 A N 2.346 125.166 122.820 -0.000 0.000 2.993 214 A HA 0.478 4.803 4.320 0.009 0.000 0.281 214 A C 0.348 177.942 177.584 0.016 0.000 1.847 214 A CA 0.030 52.068 52.037 0.003 0.000 1.470 214 A CB -1.089 17.917 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 4.111 4.120 0.009 0.000 0.276 215 V C 0.752 176.825 176.094 -0.035 0.000 1.017 215 V CA 0.582 62.832 62.300 -0.084 0.000 1.062 215 V CB 0.290 31.929 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 4.759 4.640 0.009 0.000 0.237 216 D C 0.218 176.570 176.300 0.086 0.000 1.171 216 D CA -0.138 53.915 54.000 0.088 0.000 0.839 216 D CB -0.126 40.737 40.800 0.104 0.000 0.950 216 D HN 0.451 nan 8.370 nan 0.000 0.499 217 L N 0.946 122.174 121.223 0.009 0.000 2.436 217 L HA 0.313 4.658 4.340 0.009 0.000 0.265 217 L C -1.596 175.270 176.870 -0.006 0.000 1.168 217 L CA -1.848 52.993 54.840 0.001 0.000 0.815 217 L CB 0.440 42.421 42.059 -0.130 0.000 1.109 217 L HN 0.041 nan 8.230 nan 0.000 0.462 218 P HA 0.077 nan 4.420 nan 0.000 0.275 218 P C 0.021 177.336 177.300 0.025 0.000 1.227 218 P CA -0.321 62.793 63.100 0.024 0.000 0.781 218 P CB 1.413 33.134 31.700 0.035 0.000 0.906 219 A N 4.032 126.871 122.820 0.032 0.000 1.873 219 A HA -0.096 4.230 4.320 0.009 0.000 0.218 219 A C 1.050 178.668 177.584 0.058 0.000 1.193 219 A CA 1.600 53.665 52.037 0.048 0.000 0.629 219 A CB -1.011 18.013 19.000 0.040 0.000 0.826 219 A HN 0.463 nan 8.150 nan 0.000 0.447 220 V N 1.221 121.165 119.914 0.049 0.000 2.313 220 V HA 0.388 4.513 4.120 0.009 0.000 0.278 220 V C 0.558 176.682 176.094 0.050 0.000 1.017 220 V CA -0.168 62.162 62.300 0.051 0.000 0.823 220 V CB 0.712 32.562 31.823 0.045 0.000 1.010 220 V HN 0.638 nan 8.190 nan 0.000 0.443 221 S N 3.171 118.905 115.700 0.056 0.000 2.640 221 S HA 0.241 4.716 4.470 0.009 0.000 0.262 221 S C 1.089 175.723 174.600 0.056 0.000 1.232 221 S CA 0.164 58.396 58.200 0.054 0.000 0.988 221 S CB 1.215 64.449 63.200 0.057 0.000 1.034 221 S HN 0.654 nan 8.310 nan 0.000 0.569 222 E N 0.737 120.969 120.200 0.054 0.000 2.047 222 E HA -0.105 4.251 4.350 0.009 0.000 0.191 222 E C 1.989 178.627 176.600 0.063 0.000 0.987 222 E CA 1.675 58.107 56.400 0.053 0.000 0.799 222 E CB -0.391 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 0.140 120.582 120.400 0.068 0.000 2.097 223 K HA -0.181 4.145 4.320 0.009 0.000 0.206 223 K C 1.395 178.063 176.600 0.113 0.000 1.049 223 K CA 1.707 58.045 56.287 0.086 0.000 0.933 223 K CB -0.148 32.405 32.500 0.088 0.000 0.717 223 K HN 0.098 nan 8.250 nan 0.000 0.442 224 D N 0.935 121.391 120.400 0.094 0.000 2.149 224 D HA -0.164 4.481 4.640 0.009 0.000 0.198 224 D C 1.929 178.270 176.300 0.068 0.000 0.990 224 D CA 1.164 55.212 54.000 0.080 0.000 0.839 224 D CB -0.115 40.726 40.800 0.067 0.000 0.948 224 D HN 0.344 nan 8.370 nan 0.000 0.460 225 I N 0.754 121.366 120.570 0.071 0.000 2.286 225 I HA -0.272 3.904 4.170 0.009 0.000 0.248 225 I C 2.437 178.611 176.117 0.096 0.000 1.115 225 I CA 0.999 62.340 61.300 0.067 0.000 1.392 225 I CB -0.206 37.831 38.000 0.060 0.000 1.065 225 I HN -0.004 nan 8.210 nan 0.000 0.418 226 Q N 0.582 120.459 119.800 0.127 0.000 2.016 226 Q HA -0.205 4.141 4.340 0.009 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 -0.125 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 4.486 4.640 0.009 0.000 0.196 227 D C 1.983 178.267 176.300 -0.027 0.000 0.992 227 D CA 1.006 55.097 54.000 0.153 0.000 0.833 227 D CB -0.171 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 0.624 121.839 121.223 -0.013 0.000 2.017 228 L HA -0.161 4.184 4.340 0.009 0.000 0.208 228 L C 2.452 179.321 176.870 -0.002 0.000 1.073 228 L CA 1.010 55.822 54.840 -0.047 0.000 0.745 228 L CB -0.302 41.746 42.059 -0.018 0.000 0.894 228 L HN -0.077 nan 8.230 nan 0.000 0.432 229 K N -0.201 120.238 120.400 0.064 0.000 2.063 229 K HA -0.225 4.101 4.320 0.009 0.000 0.208 229 K C 2.025 178.680 176.600 0.092 0.000 1.048 229 K CA 1.553 57.887 56.287 0.077 0.000 0.928 229 K CB -0.775 31.793 32.500 0.113 0.000 0.713 229 K HN 0.172 nan 8.250 nan 0.000 0.442 230 F N 1.536 121.466 119.950 -0.034 0.000 2.126 230 F HA -0.150 4.382 4.527 0.009 0.000 0.299 230 F C 2.115 177.848 175.800 -0.111 0.000 1.096 230 F CA 1.929 59.876 58.000 -0.088 0.000 1.255 230 F CB -0.715 38.096 39.000 -0.315 0.000 0.997 230 F HN 0.073 nan 8.300 nan 0.000 0.479 231 G N -0.175 108.512 108.800 -0.188 0.000 2.422 231 G HA2 -0.183 3.783 3.960 0.009 0.000 0.218 231 G HA3 -0.183 3.783 3.960 0.009 0.000 0.218 231 G C 1.724 176.485 174.900 -0.231 0.000 1.146 231 G CA 1.114 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 3.966 4.120 0.009 0.000 0.246 232 V C 2.613 178.638 176.094 -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 31.281 31.823 -0.049 0.000 0.658 232 V HN 0.473 nan 8.190 nan 0.000 0.452 233 E N -0.256 119.864 120.200 -0.132 0.000 2.268 233 E HA -0.184 4.172 4.350 0.009 0.000 0.195 233 E C 1.886 178.369 176.600 -0.195 0.000 0.995 233 E CA 0.733 57.058 56.400 -0.125 0.000 0.836 233 E CB -0.066 29.587 29.700 -0.078 0.000 0.763 233 E HN 0.639 nan 8.360 nan 0.000 0.491 234 Q N 0.660 120.263 119.800 -0.328 0.000 2.246 234 Q HA -0.017 4.329 4.340 0.009 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 0.434 28.813 28.738 -0.599 0.000 1.078 234 Q HN 0.095 nan 8.270 nan 0.000 0.493 235 D N 1.073 121.380 120.400 -0.154 0.000 2.697 235 D HA -0.146 4.499 4.640 0.009 0.000 0.235 235 D C -0.330 175.919 176.300 -0.085 0.000 1.167 235 D CA 0.410 54.353 54.000 -0.095 0.000 0.656 235 D CB -0.987 39.775 40.800 -0.064 0.000 1.025 235 D HN 0.201 nan 8.370 nan 0.000 0.419 236 V N -2.049 117.798 119.914 -0.112 0.000 3.003 236 V HA 0.331 4.456 4.120 0.009 0.000 0.305 236 V C 1.354 177.412 176.094 -0.061 0.000 1.078 236 V CA 0.113 62.353 62.300 -0.099 0.000 1.083 236 V CB 1.460 33.196 31.823 -0.145 0.000 1.039 236 V HN 0.053 nan 8.190 nan 0.000 0.481 237 D N 2.273 122.648 120.400 -0.042 0.000 2.327 237 D HA 0.185 4.830 4.640 0.009 0.000 0.205 237 D C 0.580 176.881 176.300 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 41.298 40.800 0.040 0.000 0.955 237 D HN 0.821 nan 8.370 nan 0.000 0.515 238 M N -1.471 118.100 119.600 -0.049 0.000 2.603 238 M HA 0.473 4.959 4.480 0.009 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 2.882 35.531 32.600 0.083 0.000 1.716 238 M HN -0.434 nan 8.290 nan 0.000 0.482 239 V N 2.375 122.273 119.914 -0.026 0.000 2.487 239 V HA 0.530 4.656 4.120 0.009 0.000 0.298 239 V C -1.299 174.908 176.094 0.189 0.000 1.028 239 V CA -0.375 61.892 62.300 -0.054 0.000 0.860 239 V CB 1.799 33.594 31.823 -0.046 0.000 0.991 239 V HN 0.677 nan 8.190 nan 0.000 0.427 240 F N 3.644 123.559 119.950 -0.058 0.000 2.334 240 F HA 0.574 5.107 4.527 0.010 0.000 0.365 240 F C 0.830 176.591 175.800 -0.065 0.000 1.124 240 F CA -1.587 56.379 58.000 -0.057 0.000 1.166 240 F CB 0.719 39.691 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 4.775 4.320 0.009 0.000 0.286 241 A C 0.548 178.125 177.584 -0.012 0.000 1.193 241 A CA -0.271 51.788 52.037 0.037 0.000 0.852 241 A CB -0.226 18.786 19.000 0.020 0.000 1.118 241 A HN 0.577 nan 8.150 nan 0.000 0.524 242 S N 1.734 117.417 115.700 -0.030 0.000 2.564 242 S HA 0.406 4.882 4.470 0.009 0.000 0.278 242 S C 0.037 174.577 174.600 -0.100 0.000 1.333 242 S CA -0.100 57.976 58.200 -0.206 0.000 1.048 242 S CB -0.274 62.797 63.200 -0.215 0.000 0.900 242 S HN 0.811 nan 8.310 nan 0.000 0.505 243 F N -0.829 119.125 119.950 0.006 0.000 3.093 243 F HA -0.162 4.370 4.527 0.009 0.000 0.287 243 F C 0.230 176.023 175.800 -0.011 0.000 0.882 243 F CA -0.331 57.666 58.000 -0.006 0.000 1.063 243 F CB -1.849 37.143 39.000 -0.014 0.000 1.097 243 F HN 0.407 nan 8.300 nan 0.000 0.604 244 I N 1.995 122.604 120.570 0.065 0.000 2.664 244 I HA -0.033 4.142 4.170 0.009 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 6.008 126.532 120.500 0.039 0.000 2.437 245 R HA 0.258 4.604 4.340 0.009 0.000 0.257 245 R C 0.153 176.457 176.300 0.006 0.000 0.927 245 R CA -0.288 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 -0.907 119.478 120.400 -0.026 0.000 2.685 246 K HA 0.255 4.581 4.320 0.009 0.000 0.290 246 K C -0.326 176.211 176.600 -0.105 0.000 1.018 246 K CA 0.051 56.307 56.287 -0.052 0.000 0.860 246 K CB 0.709 33.194 32.500 -0.025 0.000 1.498 246 K HN -0.143 nan 8.250 nan 0.000 0.390 247 A N 1.531 124.265 122.820 -0.143 0.000 1.948 247 A HA -0.135 4.191 4.320 0.009 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 0.352 123.102 122.820 -0.116 0.000 1.873 248 A HA -0.264 4.062 4.320 0.009 0.000 0.218 248 A C 1.785 179.355 177.584 -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 -0.164 120.212 120.400 -0.039 0.000 2.116 249 D HA -0.144 4.501 4.640 0.009 0.000 0.193 249 D C 2.063 178.342 176.300 -0.036 0.000 0.998 249 D CA 1.653 55.643 54.000 -0.017 0.000 0.836 249 D CB -0.795 40.001 40.800 -0.007 0.000 0.951 249 D HN 0.232 nan 8.370 nan 0.000 0.449 250 V N 0.885 120.729 119.914 -0.116 0.000 2.332 250 V HA -0.281 3.845 4.120 0.009 0.000 0.248 250 V C 2.127 178.195 176.094 -0.044 0.000 1.055 250 V CA 1.877 64.103 62.300 -0.122 0.000 1.038 250 V CB -0.752 30.934 31.823 -0.229 0.000 0.651 250 V HN 0.351 nan 8.190 nan 0.000 0.450 251 H N -0.625 118.439 119.070 -0.009 0.000 2.387 251 H HA -0.165 4.396 4.556 0.009 0.000 0.299 251 H C 2.472 177.801 175.328 0.002 0.000 1.090 251 H CA 1.411 57.456 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 0.572 120.849 120.200 0.127 0.000 2.077 252 E HA -0.150 4.206 4.350 0.009 0.000 0.193 252 E C 2.168 178.803 176.600 0.058 0.000 0.989 252 E CA 1.069 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 0.927 120.871 119.914 0.049 0.000 2.270 253 V HA -0.255 3.871 4.120 0.009 0.000 0.245 253 V C 2.553 178.669 176.094 0.037 0.000 1.043 253 V CA 2.161 64.482 62.300 0.034 0.000 1.014 253 V CB -0.585 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 0.417 120.949 120.500 0.054 0.000 2.127 254 R HA -0.245 4.101 4.340 0.009 0.000 0.238 254 R C 2.294 178.620 176.300 0.043 0.000 1.134 254 R CA 2.107 58.240 56.100 0.054 0.000 0.975 254 R CB -0.280 30.073 30.300 0.088 0.000 0.865 254 R HN 0.508 nan 8.270 nan 0.000 0.447 255 K N 0.213 120.641 120.400 0.048 0.000 2.002 255 K HA -0.119 4.206 4.320 0.009 0.000 0.209 255 K C 1.935 178.551 176.600 0.027 0.000 1.048 255 K CA 1.613 57.919 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 1.286 121.873 120.570 0.029 0.000 2.163 256 I HA -0.267 3.908 4.170 0.009 0.000 0.243 256 I C 2.252 178.380 176.117 0.019 0.000 1.085 256 I CA 1.135 62.451 61.300 0.026 0.000 1.347 256 I CB -1.156 36.860 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 4.294 4.340 0.009 0.000 0.213 257 L C 1.657 178.532 176.870 0.008 0.000 1.100 257 L CA 1.489 56.331 54.840 0.005 0.000 0.765 257 L CB -1.389 40.672 42.059 0.002 0.000 0.904 257 L HN 0.496 nan 8.230 nan 0.000 0.437 258 G N -0.788 108.020 108.800 0.014 0.000 2.606 258 G HA2 -0.464 3.502 3.960 0.009 0.000 0.285 258 G HA3 -0.464 3.502 3.960 0.009 0.000 0.285 258 G C 0.835 175.741 174.900 0.011 0.000 1.311 258 G CA 0.621 45.729 45.100 0.013 0.000 0.922 258 G HN 0.302 nan 8.290 nan 0.000 0.559 259 E N -0.239 119.967 120.200 0.010 0.000 2.118 259 E HA -0.123 4.233 4.350 0.009 0.000 0.195 259 E C 2.412 179.017 176.600 0.009 0.000 0.992 259 E CA 2.350 58.756 56.400 0.010 0.000 0.804 259 E CB -0.211 29.494 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 4.315 4.320 0.009 0.000 0.206 260 K C 1.879 178.479 176.600 0.000 0.000 1.047 260 K CA 1.183 57.472 56.287 0.003 0.000 0.937 260 K CB -0.418 32.081 32.500 -0.000 0.000 0.718 260 K HN 0.222 nan 8.250 nan 0.000 0.438 261 G N 1.167 109.966 108.800 -0.002 0.000 2.882 261 G HA2 -0.170 3.795 3.960 0.009 0.000 0.206 261 G HA3 -0.170 3.795 3.960 0.009 0.000 0.206 261 G C 1.028 175.932 174.900 0.006 0.000 1.155 261 G CA 0.070 45.167 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 4.103 4.320 0.009 0.000 0.212 262 K C 1.609 178.225 176.600 0.027 0.000 1.050 262 K CA 1.869 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 0.471 nan 8.250 nan 0.000 0.457 263 N N -0.013 118.703 118.700 0.027 0.000 2.270 263 N HA 0.148 4.894 4.740 0.009 0.000 0.198 263 N C -0.520 175.015 175.510 0.042 0.000 1.117 263 N CA -0.374 52.700 53.050 0.040 0.000 0.845 263 N CB 0.403 38.916 38.487 0.044 0.000 0.980 263 N HN 0.111 nan 8.380 nan 0.000 0.486 264 I N 1.997 122.583 120.570 0.026 0.000 2.452 264 I HA 0.033 4.209 4.170 0.009 0.000 0.287 264 I C 0.234 176.371 176.117 0.034 0.000 1.079 264 I CA -0.322 60.990 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 -0.129 nan 8.210 nan 0.000 0.522 265 K N 7.496 127.926 120.400 0.050 0.000 2.368 265 K HA 0.368 4.693 4.320 0.009 0.000 0.282 265 K C -0.303 176.330 176.600 0.056 0.000 1.035 265 K CA -0.026 56.296 56.287 0.058 0.000 0.973 265 K CB 0.830 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 4.658 125.253 120.570 0.042 0.000 2.315 266 I HA 0.158 4.333 4.170 0.009 0.000 0.291 266 I C 0.031 176.168 176.117 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 5.571 126.188 120.570 0.077 0.000 2.330 267 I HA 0.201 4.376 4.170 0.009 0.000 0.286 267 I C 0.363 176.466 176.117 -0.025 0.000 1.025 267 I CA -0.195 61.109 61.300 0.006 0.000 1.197 267 I CB 0.864 38.853 38.000 -0.018 0.000 1.358 267 I HN 0.449 nan 8.210 nan 0.000 0.467 268 S N 6.437 122.098 115.700 -0.064 0.000 2.531 268 S HA 0.264 4.740 4.470 0.009 0.000 0.279 268 S C 0.306 174.856 174.600 -0.084 0.000 1.305 268 S CA -0.455 57.703 58.200 -0.069 0.000 1.058 268 S CB 0.678 63.821 63.200 -0.096 0.000 0.899 268 S HN 0.368 nan 8.310 nan 0.000 0.493 269 K N 2.663 123.010 120.400 -0.089 0.000 2.211 269 K HA 0.374 4.700 4.320 0.009 0.000 0.275 269 K C -0.698 175.841 176.600 -0.101 0.000 1.024 269 K CA -0.516 55.696 56.287 -0.126 0.000 0.887 269 K CB 0.755 33.148 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 4.263 4.170 0.009 0.000 0.291 270 I C 0.624 176.705 176.117 -0.059 0.000 1.033 270 I CA 0.254 61.540 61.300 -0.024 0.000 1.253 270 I CB 0.638 38.660 38.000 0.035 0.000 1.396 270 I HN 0.793 nan 8.210 nan 0.000 0.476 271 E N 4.511 124.685 120.200 -0.042 0.000 2.639 271 E HA 0.095 4.451 4.350 0.009 0.000 0.225 271 E C -0.015 176.643 176.600 0.096 0.000 0.921 271 E CA -0.206 56.181 56.400 -0.023 0.000 1.184 271 E CB 0.724 30.319 29.700 -0.175 0.000 1.160 271 E HN 0.662 nan 8.360 nan 0.000 0.547 272 N N 0.101 118.868 118.700 0.112 0.000 2.577 272 N HA 0.056 4.801 4.740 0.009 0.000 0.285 272 N C 0.503 176.070 175.510 0.095 0.000 1.309 272 N CA -0.539 52.589 53.050 0.130 0.000 0.798 272 N CB 1.201 39.786 38.487 0.165 0.000 1.463 272 N HN -0.153 nan 8.380 nan 0.000 0.518 273 H N -0.081 119.001 119.070 0.021 0.000 2.423 273 H HA -0.029 4.533 4.556 0.010 0.000 0.297 273 H C 1.136 176.472 175.328 0.012 0.000 1.075 273 H CA 1.678 57.729 56.048 0.005 0.000 1.342 273 H CB 0.389 30.148 29.762 -0.004 0.000 1.395 273 H HN 0.769 nan 8.280 nan 0.000 0.530 274 E N -0.359 119.960 120.200 0.199 0.000 2.072 274 E HA -0.098 4.258 4.350 0.009 0.000 0.191 274 E C 2.358 178.999 176.600 0.068 0.000 0.985 274 E CA 0.748 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 0.470 109.305 108.800 0.059 0.000 2.442 275 G HA2 -0.237 3.729 3.960 0.009 0.000 0.219 275 G HA3 -0.237 3.729 3.960 0.009 0.000 0.219 275 G C 1.618 176.558 174.900 0.067 0.000 1.141 275 G CA 0.976 46.107 45.100 0.051 0.000 0.763 275 G HN 0.203 nan 8.290 nan 0.000 0.554 276 V N 0.512 120.425 119.914 -0.003 0.000 2.323 276 V HA -0.067 4.058 4.120 0.009 0.000 0.244 276 V C 2.791 178.865 176.094 -0.034 0.000 1.041 276 V CA 1.684 63.954 62.300 -0.050 0.000 1.025 276 V CB -0.422 31.272 31.823 -0.214 0.000 0.656 276 V HN 0.300 nan 8.190 nan 0.000 0.451 277 R N 0.685 121.139 120.500 -0.077 0.000 2.120 277 R HA -0.075 4.271 4.340 0.009 0.000 0.234 277 R C 1.628 177.948 176.300 0.034 0.000 1.123 277 R CA 1.299 57.387 56.100 -0.020 0.000 0.975 277 R CB 0.003 30.334 30.300 0.050 0.000 0.866 277 R HN 0.460 nan 8.270 nan 0.000 0.446 278 R N -0.756 119.771 120.500 0.046 0.000 2.633 278 R HA 0.066 4.411 4.340 0.009 0.000 0.348 278 R C 1.076 177.388 176.300 0.020 0.000 1.100 278 R CA -0.392 55.725 56.100 0.029 0.000 1.068 278 R CB -0.049 30.256 30.300 0.007 0.000 1.351 278 R HN 0.079 nan 8.270 nan 0.000 0.575 279 F N 2.684 122.597 119.950 -0.063 0.000 2.043 279 F HA -0.344 4.188 4.527 0.008 0.000 0.297 279 F C 1.676 177.438 175.800 -0.063 0.000 1.118 279 F CA 2.050 60.008 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 0.290 120.660 120.400 -0.049 0.000 2.133 280 D HA -0.273 4.372 4.640 0.009 0.000 0.192 280 D C 2.138 178.303 176.300 -0.224 0.000 1.001 280 D CA 2.085 56.003 54.000 -0.136 0.000 0.844 280 D CB -0.703 40.103 40.800 0.010 0.000 0.944 280 D HN 0.714 nan 8.370 nan 0.000 0.447 281 E N 0.686 120.790 120.200 -0.159 0.000 2.106 281 E HA -0.129 4.226 4.350 0.009 0.000 0.192 281 E C 2.403 178.869 176.600 -0.223 0.000 0.984 281 E CA 0.681 56.993 56.400 -0.146 0.000 0.806 281 E CB -0.492 29.152 29.700 -0.092 0.000 0.750 281 E HN 0.299 nan 8.360 nan 0.000 0.458 282 I N 1.184 121.579 120.570 -0.292 0.000 2.226 282 I HA -0.243 3.932 4.170 0.009 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 0.203 nan 8.210 nan 0.000 0.413 283 L N 0.851 121.699 121.223 -0.625 0.000 1.989 283 L HA -0.266 4.079 4.340 0.009 0.000 0.211 283 L C 2.692 179.400 176.870 -0.270 0.000 1.071 283 L CA 1.900 56.410 54.840 -0.549 0.000 0.749 283 L CB -0.300 41.361 42.059 -0.662 0.000 0.890 283 L HN 0.242 nan 8.230 nan 0.000 0.431 284 E N 0.432 120.506 120.200 -0.210 0.000 2.085 284 E HA -0.235 4.120 4.350 0.009 0.000 0.194 284 E C 1.862 178.410 176.600 -0.086 0.000 0.994 284 E CA 1.815 58.149 56.400 -0.111 0.000 0.801 284 E CB -0.262 29.393 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 4.358 4.320 0.009 0.000 0.219 285 A C 1.382 178.907 177.584 -0.099 0.000 1.158 285 A CA 0.998 52.961 52.037 -0.123 0.000 0.661 285 A CB -0.189 18.601 19.000 -0.350 0.000 0.801 285 A HN 0.249 nan 8.150 nan 0.000 0.452 286 S N -0.535 115.090 115.700 -0.125 0.000 2.722 286 S HA 0.325 4.800 4.470 0.009 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 1.088 64.210 63.200 -0.130 0.000 1.067 286 S HN 0.402 nan 8.310 nan 0.000 0.546 287 D N 0.202 120.577 120.400 -0.041 0.000 2.301 287 D HA 0.232 4.877 4.640 0.009 0.000 0.206 287 D C 0.779 177.038 176.300 -0.068 0.000 0.979 287 D CA 0.551 54.535 54.000 -0.026 0.000 0.874 287 D CB 0.438 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 -0.019 108.730 108.800 -0.086 0.000 2.600 288 G HA2 0.511 4.477 3.960 0.009 0.000 0.293 288 G HA3 0.511 4.477 3.960 0.009 0.000 0.293 288 G C -1.633 173.201 174.900 -0.109 0.000 1.408 288 G CA -0.473 44.554 45.100 -0.122 0.000 0.782 288 G HN -0.103 nan 8.290 nan 0.000 0.482 289 I N 0.323 120.830 120.570 -0.105 0.000 2.828 289 I HA 0.576 4.751 4.170 0.009 0.000 0.302 289 I C -0.458 175.576 176.117 -0.138 0.000 1.101 289 I CA -0.827 60.430 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 0.595 nan 8.210 nan 0.000 0.427 290 M N 4.659 124.167 119.600 -0.154 0.000 2.259 290 M HA 0.449 4.935 4.480 0.009 0.000 0.304 290 M C -1.563 174.656 176.300 -0.136 0.000 1.019 290 M CA -0.706 54.467 55.300 -0.211 0.000 0.922 290 M CB 1.853 34.248 32.600 -0.341 0.000 1.600 290 M HN 0.258 nan 8.290 nan 0.000 0.433 291 V N 5.116 124.957 119.914 -0.122 0.000 2.313 291 V HA 0.239 4.365 4.120 0.009 0.000 0.252 291 V C 0.762 176.797 176.094 -0.099 0.000 1.112 291 V CA -0.284 61.956 62.300 -0.099 0.000 0.984 291 V CB 0.114 31.880 31.823 -0.095 0.000 1.157 291 V HN 0.886 nan 8.190 nan 0.000 0.493 292 A N 5.026 127.784 122.820 -0.105 0.000 3.048 292 A HA 0.233 4.558 4.320 0.009 0.000 0.264 292 A C 1.678 179.221 177.584 -0.069 0.000 1.796 292 A CA -0.261 51.714 52.037 -0.103 0.000 1.445 292 A CB -0.599 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 0.755 121.224 120.500 -0.052 0.000 2.185 293 R HA -0.210 4.135 4.340 0.009 0.000 0.247 293 R C 2.248 178.538 176.300 -0.017 0.000 1.159 293 R CA 1.925 58.007 56.100 -0.031 0.000 0.988 293 R CB -0.296 29.992 30.300 -0.020 0.000 0.871 293 R HN 0.711 nan 8.270 nan 0.000 0.458 294 G N 0.639 109.431 108.800 -0.013 0.000 2.604 294 G HA2 -0.285 3.681 3.960 0.009 0.000 0.216 294 G HA3 -0.285 3.681 3.960 0.009 0.000 0.216 294 G C 0.938 175.848 174.900 0.017 0.000 1.265 294 G CA 1.183 46.287 45.100 0.007 0.000 0.804 294 G HN 0.254 nan 8.290 nan 0.000 0.579 295 D N 0.104 120.519 120.400 0.026 0.000 2.144 295 D HA -0.081 4.564 4.640 0.009 0.000 0.200 295 D C 2.482 178.809 176.300 0.046 0.000 0.978 295 D CA 0.645 54.691 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 1.258 122.487 121.223 0.010 0.000 2.079 296 L HA -0.068 4.277 4.340 0.009 0.000 0.210 296 L C 2.201 179.062 176.870 -0.015 0.000 1.081 296 L CA 1.817 56.654 54.840 -0.004 0.000 0.752 296 L CB -0.819 41.221 42.059 -0.032 0.000 0.896 296 L HN -0.004 nan 8.230 nan 0.000 0.433 297 G N -1.310 107.480 108.800 -0.017 0.000 2.776 297 G HA2 -0.077 3.889 3.960 0.009 0.000 0.209 297 G HA3 -0.077 3.889 3.960 0.009 0.000 0.209 297 G C 1.376 176.240 174.900 -0.059 0.000 1.145 297 G CA 0.846 45.930 45.100 -0.026 0.000 0.791 297 G HN 0.518 nan 8.290 nan 0.000 0.530 298 I N -0.967 119.564 120.570 -0.066 0.000 3.883 298 I HA 0.139 4.314 4.170 0.009 0.000 0.305 298 I C 2.008 178.030 176.117 -0.158 0.000 1.247 298 I CA 0.055 61.264 61.300 -0.151 0.000 1.350 298 I CB 0.227 38.165 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 4.425 4.350 0.009 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 -2.925 117.643 120.570 -0.005 0.000 3.042 300 I HA 0.491 4.666 4.170 0.009 0.000 0.310 300 I C -2.759 173.346 176.117 -0.022 0.000 1.117 300 I CA -3.088 58.225 61.300 0.020 0.000 1.003 300 I CB 2.204 40.230 38.000 0.043 0.000 1.228 300 I HN -0.378 nan 8.210 nan 0.000 0.443 301 P HA 0.044 nan 4.420 nan 0.000 0.262 301 P C 0.500 177.799 177.300 -0.002 0.000 1.182 301 P CA 0.314 63.407 63.100 -0.012 0.000 0.761 301 P CB 1.030 32.735 31.700 0.010 0.000 0.795 302 A N 5.290 128.106 122.820 -0.008 0.000 1.903 302 A HA -0.243 4.082 4.320 0.009 0.000 0.219 302 A C 1.784 179.404 177.584 0.060 0.000 1.191 302 A CA 1.836 53.880 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 0.332 120.574 120.200 0.071 0.000 2.510 303 E HA -0.163 4.192 4.350 0.009 0.000 0.202 303 E C 1.061 177.810 176.600 0.248 0.000 1.072 303 E CA 1.341 57.823 56.400 0.137 0.000 0.883 303 E CB -0.244 29.514 29.700 0.096 0.000 0.818 303 E HN 0.714 nan 8.360 nan 0.000 0.548 304 K N 0.134 120.605 120.400 0.118 0.000 2.380 304 K HA 0.156 4.481 4.320 0.009 0.000 0.198 304 K C 1.892 178.426 176.600 -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 2.238 122.160 119.914 0.014 0.000 2.380 305 V HA -0.300 3.825 4.120 0.009 0.000 0.251 305 V C 2.127 178.204 176.094 -0.028 0.000 1.063 305 V CA 2.103 64.393 62.300 -0.017 0.000 1.055 305 V CB -0.745 31.092 31.823 0.024 0.000 0.657 305 V HN 0.353 nan 8.190 nan 0.000 0.455 306 F N 0.236 120.152 119.950 -0.057 0.000 2.171 306 F HA -0.127 4.405 4.527 0.007 0.000 0.300 306 F C 1.953 177.709 175.800 -0.073 0.000 1.090 306 F CA 1.405 59.369 58.000 -0.060 0.000 1.293 306 F CB -1.209 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 4.144 4.340 0.009 0.000 0.211 307 L C 3.063 179.679 176.870 -0.423 0.000 1.071 307 L CA 1.523 55.847 54.840 -0.860 0.000 0.749 307 L CB -1.410 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 -0.696 121.921 122.820 -0.338 0.000 1.908 308 A HA -0.299 4.026 4.320 0.009 0.000 0.218 308 A C 2.272 179.707 177.584 -0.249 0.000 1.181 308 A CA 2.008 53.880 52.037 -0.273 0.000 0.627 308 A CB -0.665 18.202 19.000 -0.222 0.000 0.818 308 A HN 0.526 nan 8.150 nan 0.000 0.445 309 Q N -0.270 119.420 119.800 -0.182 0.000 2.002 309 Q HA -0.256 4.089 4.340 0.009 0.000 0.204 309 Q C 2.043 177.956 176.000 -0.145 0.000 0.988 309 Q CA 2.217 57.939 55.803 -0.135 0.000 0.843 309 Q CB -0.164 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 -0.144 120.183 120.400 -0.122 0.000 2.103 310 K HA -0.155 4.170 4.320 0.009 0.000 0.207 310 K C 2.118 178.623 176.600 -0.159 0.000 1.048 310 K CA 1.469 57.693 56.287 -0.105 0.000 0.930 310 K CB -0.197 32.267 32.500 -0.060 0.000 0.716 310 K HN 0.313 nan 8.250 nan 0.000 0.444 311 M N 0.967 120.434 119.600 -0.221 0.000 2.099 311 M HA -0.120 4.366 4.480 0.009 0.000 0.262 311 M C 1.906 177.987 176.300 -0.367 0.000 1.067 311 M CA 1.740 56.881 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 0.129 nan 8.290 nan 0.000 0.410 312 I N 0.125 120.419 120.570 -0.460 0.000 2.252 312 I HA -0.322 3.854 4.170 0.009 0.000 0.245 312 I C 2.370 178.304 176.117 -0.305 0.000 1.102 312 I CA 1.057 61.979 61.300 -0.630 0.000 1.385 312 I CB -0.357 37.318 38.000 -0.542 0.000 1.064 312 I HN 0.259 nan 8.210 nan 0.000 0.414 313 I N 0.615 121.069 120.570 -0.194 0.000 2.226 313 I HA -0.204 3.972 4.170 0.009 0.000 0.245 313 I C 2.709 178.770 176.117 -0.093 0.000 1.100 313 I CA 1.564 62.797 61.300 -0.111 0.000 1.374 313 I CB -1.022 36.928 38.000 -0.083 0.000 1.057 313 I HN 0.270 nan 8.210 nan 0.000 0.413 314 G N 0.820 109.553 108.800 -0.110 0.000 2.459 314 G HA2 -0.277 3.688 3.960 0.009 0.000 0.217 314 G HA3 -0.277 3.688 3.960 0.009 0.000 0.217 314 G C 1.796 176.656 174.900 -0.068 0.000 1.183 314 G CA 0.700 45.749 45.100 -0.084 0.000 0.776 314 G HN 0.273 nan 8.290 nan 0.000 0.552 315 R N -0.953 119.494 120.500 -0.089 0.000 2.148 315 R HA 0.018 4.363 4.340 0.009 0.000 0.227 315 R C 2.623 178.959 176.300 0.060 0.000 1.103 315 R CA 1.033 57.129 56.100 -0.008 0.000 0.983 315 R CB -0.478 29.827 30.300 0.008 0.000 0.874 315 R HN 0.412 nan 8.270 nan 0.000 0.451 316 C N -0.114 119.214 119.300 0.047 0.000 2.476 316 C HA 0.005 4.470 4.460 0.009 0.000 0.278 316 C C 2.087 177.077 174.990 -0.000 0.000 1.274 316 C CA 0.560 59.614 59.018 0.058 0.000 1.713 316 C CB -1.016 26.749 27.740 0.042 0.000 2.039 316 C HN 0.596 nan 8.230 nan 0.000 0.484 317 N N 0.244 118.929 118.700 -0.024 0.000 2.094 317 N HA -0.202 4.543 4.740 0.009 0.000 0.191 317 N C 2.097 177.573 175.510 -0.057 0.000 1.023 317 N CA 0.957 53.983 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 1.187 121.664 120.500 -0.039 0.000 2.081 318 R HA -0.045 4.300 4.340 0.009 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 -0.374 122.440 122.820 -0.010 0.000 2.167 319 A HA 0.155 4.481 4.320 0.009 0.000 0.214 319 A C 1.407 178.986 177.584 -0.009 0.000 1.151 319 A CA 0.955 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 -0.827 107.957 108.800 -0.025 0.000 2.143 320 G HA2 -0.244 3.721 3.960 0.009 0.000 0.248 320 G HA3 -0.244 3.721 3.960 0.009 0.000 0.248 320 G C 0.095 175.024 174.900 0.050 0.000 0.991 320 G CA 0.546 45.644 45.100 -0.004 0.000 0.689 320 G HN 0.522 nan 8.290 nan 0.000 0.522 321 K N 0.621 121.023 120.400 0.003 0.000 2.159 321 K HA 0.426 4.752 4.320 0.009 0.000 0.266 321 K C -2.622 173.898 176.600 -0.133 0.000 0.975 321 K CA -1.981 54.281 56.287 -0.042 0.000 0.865 321 K CB 1.864 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 -0.112 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 5.415 125.230 119.914 -0.165 0.000 2.735 323 V HA 0.533 4.659 4.120 0.009 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 1.524 33.302 31.823 -0.075 0.000 1.005 323 V HN 0.298 nan 8.190 nan 0.000 0.428 324 I N 5.503 125.979 120.570 -0.157 0.000 2.474 324 I HA 0.462 4.638 4.170 0.009 0.000 0.294 324 I C -0.469 175.571 176.117 -0.128 0.000 1.005 324 I CA -0.479 60.725 61.300 -0.160 0.000 1.113 324 I CB 1.797 39.642 38.000 -0.258 0.000 1.289 324 I HN 0.594 nan 8.210 nan 0.000 0.436 325 C N 6.019 125.265 119.300 -0.090 0.000 2.295 325 C HA 0.889 5.354 4.460 0.009 0.000 0.331 325 C C 0.310 175.264 174.990 -0.060 0.000 1.280 325 C CA -0.004 58.974 59.018 -0.068 0.000 1.746 325 C CB -0.380 27.335 27.740 -0.043 0.000 2.328 325 C HN 0.889 nan 8.230 nan 0.000 0.521 326 A N 4.346 127.130 122.820 -0.060 0.000 2.515 326 A HA 0.926 5.251 4.320 0.009 0.000 0.296 326 A C -0.179 177.392 177.584 -0.022 0.000 1.094 326 A CA -0.183 51.828 52.037 -0.042 0.000 0.718 326 A CB 1.093 20.054 19.000 -0.064 0.000 1.307 326 A HN 1.354 nan 8.150 nan 0.000 0.408 327 T N 1.211 115.764 114.554 -0.001 0.000 0.571 327 T HA -0.092 4.263 4.350 0.009 0.000 0.771 327 T C 0.061 174.769 174.700 0.014 0.000 0.992 327 T CA 0.859 62.965 62.100 0.010 0.000 4.060 327 T CB -1.156 67.714 68.868 0.004 0.000 2.294 327 T HN 1.534 nan 8.240 nan 0.000 0.396 328 Q N 0.374 120.187 119.800 0.023 0.000 2.461 328 Q HA -0.286 4.060 4.340 0.009 0.000 0.264 328 Q C 1.520 177.532 176.000 0.019 0.000 1.085 328 Q CA 1.480 57.297 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 -0.933 118.678 119.600 0.018 0.000 2.132 329 M HA -0.126 4.360 4.480 0.009 0.000 0.263 329 M C 0.833 177.143 176.300 0.017 0.000 1.065 329 M CA 1.252 56.561 55.300 0.015 0.000 1.122 329 M CB 0.092 32.700 32.600 0.015 0.000 1.365 329 M HN 0.145 nan 8.290 nan 0.000 0.411 330 L N -0.310 120.927 121.223 0.024 0.000 3.218 330 L HA 0.195 4.540 4.340 0.009 0.000 0.279 330 L C 1.259 178.148 176.870 0.030 0.000 1.287 330 L CA 0.280 55.135 54.840 0.024 0.000 1.024 330 L CB -0.232 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 0.940 121.158 120.200 0.030 0.000 2.095 331 E HA -0.326 4.030 4.350 0.009 0.000 0.212 331 E C 2.246 178.870 176.600 0.039 0.000 1.044 331 E CA 2.321 58.742 56.400 0.035 0.000 0.857 331 E CB 0.046 29.764 29.700 0.030 0.000 0.764 331 E HN 0.490 nan 8.360 nan 0.000 0.462 332 S N -0.467 115.251 115.700 0.030 0.000 2.420 332 S HA -0.216 4.259 4.470 0.009 0.000 0.237 332 S C 1.889 176.514 174.600 0.043 0.000 1.023 332 S CA 1.587 59.805 58.200 0.031 0.000 0.991 332 S CB -0.467 62.742 63.200 0.015 0.000 0.792 332 S HN 0.369 nan 8.310 nan 0.000 0.488 333 M N 0.534 120.159 119.600 0.042 0.000 2.700 333 M HA 0.178 4.664 4.480 0.009 0.000 0.249 333 M C 1.376 177.777 176.300 0.167 0.000 1.082 333 M CA 0.605 55.942 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 -0.052 120.595 120.570 0.128 0.000 2.676 334 I HA -0.215 3.961 4.170 0.009 0.000 0.259 334 I C 2.078 178.294 176.117 0.165 0.000 1.194 334 I CA 0.999 62.376 61.300 0.127 0.000 1.473 334 I CB -0.063 37.981 38.000 0.074 0.000 1.096 334 I HN 0.211 nan 8.210 nan 0.000 0.443 335 K N 0.088 120.603 120.400 0.190 0.000 2.502 335 K HA 0.300 4.625 4.320 0.009 0.000 0.211 335 K C 0.043 176.831 176.600 0.313 0.000 1.259 335 K CA 0.272 56.688 56.287 0.213 0.000 0.983 335 K CB 0.962 33.528 32.500 0.110 0.000 1.054 335 K HN 0.154 nan 8.250 nan 0.000 0.572 336 K N 0.992 121.490 120.400 0.163 0.000 2.328 336 K HA 0.273 4.598 4.320 0.009 0.000 0.246 336 K C -2.135 174.132 176.600 -0.556 0.000 0.955 336 K CA -1.885 54.352 56.287 -0.082 0.000 0.817 336 K CB 2.263 34.727 32.500 -0.059 0.000 1.208 336 K HN -0.285 nan 8.250 nan 0.000 0.432 337 P HA -0.048 nan 4.420 nan 0.000 0.236 337 P C -0.469 176.602 177.300 -0.382 0.000 1.177 337 P CA 0.718 63.248 63.100 -0.951 0.000 0.773 337 P CB 0.609 31.881 31.700 -0.714 0.000 0.878 338 R N 0.713 121.068 120.500 -0.243 0.000 2.686 338 R HA 0.476 4.821 4.340 0.009 0.000 0.286 338 R C -2.568 173.681 176.300 -0.084 0.000 0.969 338 R CA -2.220 53.804 56.100 -0.126 0.000 0.898 338 R CB 1.813 32.058 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 -0.178 177.109 177.300 -0.021 0.000 1.258 339 P CA -0.303 62.781 63.100 -0.026 0.000 0.811 339 P CB 0.762 32.454 31.700 -0.013 0.000 1.063 340 T N -0.931 113.616 114.554 -0.012 0.000 2.849 340 T HA 0.190 4.545 4.350 0.009 0.000 0.284 340 T C 1.528 176.222 174.700 -0.010 0.000 1.004 340 T CA -0.617 61.477 62.100 -0.011 0.000 1.021 340 T CB 0.450 69.315 68.868 -0.006 0.000 1.013 340 T HN 0.175 nan 8.240 nan 0.000 0.527 341 R N 1.356 121.849 120.500 -0.011 0.000 2.117 341 R HA -0.073 4.272 4.340 0.009 0.000 0.243 341 R C 2.639 178.932 176.300 -0.012 0.000 1.143 341 R CA 1.701 57.794 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 1.403 124.215 122.820 -0.012 0.000 1.930 342 A HA -0.153 4.172 4.320 0.009 0.000 0.217 342 A C 2.015 179.593 177.584 -0.010 0.000 1.175 342 A CA 1.315 53.343 52.037 -0.014 0.000 0.627 342 A CB -0.276 18.715 19.000 -0.015 0.000 0.815 342 A HN 0.399 nan 8.150 nan 0.000 0.443 343 E N -0.502 119.695 120.200 -0.005 0.000 2.106 343 E HA -0.089 4.266 4.350 0.009 0.000 0.192 343 E C 2.115 178.714 176.600 -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 3.638 3.960 0.009 0.000 0.216 344 G HA3 -0.327 3.638 3.960 0.009 0.000 0.216 344 G C 1.785 176.684 174.900 -0.003 0.000 1.171 344 G CA 1.252 46.351 45.100 -0.002 0.000 0.775 344 G HN 0.396 nan 8.290 nan 0.000 0.543 345 S N 0.566 116.262 115.700 -0.007 0.000 2.402 345 S HA -0.124 4.351 4.470 0.009 0.000 0.229 345 S C 1.884 176.481 174.600 -0.006 0.000 1.021 345 S CA 1.766 59.961 58.200 -0.008 0.000 0.974 345 S CB -0.299 62.892 63.200 -0.015 0.000 0.800 345 S HN 0.329 nan 8.310 nan 0.000 0.484 346 D N 1.486 121.883 120.400 -0.006 0.000 2.104 346 D HA -0.112 4.534 4.640 0.009 0.000 0.194 346 D C 1.847 178.149 176.300 0.002 0.000 0.994 346 D CA 1.609 55.608 54.000 -0.002 0.000 0.830 346 D CB -0.428 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 0.927 120.844 119.914 0.004 0.000 2.261 347 V HA -0.233 3.892 4.120 0.009 0.000 0.246 347 V C 2.659 178.758 176.094 0.008 0.000 1.047 347 V CA 1.913 64.217 62.300 0.007 0.000 1.015 347 V CB -1.203 30.627 31.823 0.011 0.000 0.642 347 V HN 0.352 nan 8.190 nan 0.000 0.446 348 A N 0.591 123.415 122.820 0.007 0.000 1.884 348 A HA -0.306 4.019 4.320 0.009 0.000 0.219 348 A C 2.091 179.683 177.584 0.014 0.000 1.197 348 A CA 2.411 54.454 52.037 0.009 0.000 0.637 348 A CB -0.839 18.165 19.000 0.007 0.000 0.827 348 A HN 0.611 nan 8.150 nan 0.000 0.450 349 N N 0.083 118.789 118.700 0.011 0.000 2.223 349 N HA -0.100 4.646 4.740 0.009 0.000 0.185 349 N C 1.899 177.417 175.510 0.014 0.000 1.016 349 N CA 1.419 54.477 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 0.806 123.631 122.820 0.008 0.000 1.902 350 A HA -0.076 4.250 4.320 0.009 0.000 0.217 350 A C 2.528 180.114 177.584 0.004 0.000 1.181 350 A CA 1.216 53.254 52.037 0.002 0.000 0.623 350 A CB -0.687 18.311 19.000 -0.003 0.000 0.818 350 A HN 0.100 nan 8.150 nan 0.000 0.443 351 V N -0.296 119.624 119.914 0.010 0.000 2.307 351 V HA -0.203 3.923 4.120 0.009 0.000 0.245 351 V C 2.461 178.567 176.094 0.019 0.000 1.045 351 V CA 1.687 63.997 62.300 0.016 0.000 1.024 351 V CB -0.757 31.078 31.823 0.020 0.000 0.651 351 V HN 0.462 nan 8.190 nan 0.000 0.449 352 L N 0.170 121.407 121.223 0.024 0.000 2.083 352 L HA -0.164 4.182 4.340 0.009 0.000 0.209 352 L C 2.121 179.007 176.870 0.028 0.000 1.083 352 L CA 1.795 56.655 54.840 0.034 0.000 0.752 352 L CB -1.282 40.804 42.059 0.047 0.000 0.899 352 L HN 0.348 nan 8.230 nan 0.000 0.433 353 D N -0.542 119.868 120.400 0.017 0.000 2.178 353 D HA -0.032 4.613 4.640 0.009 0.000 0.201 353 D C 1.780 178.077 176.300 -0.004 0.000 0.980 353 D CA 1.412 55.416 54.000 0.006 0.000 0.842 353 D CB -0.007 40.791 40.800 -0.004 0.000 0.948 353 D HN 0.433 nan 8.370 nan 0.000 0.472 354 G N -0.839 107.960 108.800 -0.002 0.000 2.183 354 G HA2 -0.080 3.885 3.960 0.009 0.000 0.168 354 G HA3 -0.080 3.885 3.960 0.009 0.000 0.168 354 G C 0.395 175.288 174.900 -0.013 0.000 1.008 354 G CA 0.095 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 0.566 123.375 122.820 -0.018 0.000 2.546 355 A HA 0.455 4.781 4.320 0.009 0.000 0.243 355 A C 1.284 178.855 177.584 -0.021 0.000 1.063 355 A CA 1.044 53.063 52.037 -0.031 0.000 0.757 355 A CB 0.230 19.211 19.000 -0.032 0.000 0.991 355 A HN 0.263 nan 8.150 nan 0.000 0.503 356 D N 0.717 121.093 120.400 -0.041 0.000 2.149 356 D HA -0.021 4.625 4.640 0.009 0.000 0.201 356 D C 0.134 176.426 176.300 -0.014 0.000 0.972 356 D CA 1.318 55.300 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 0.646 119.924 119.300 -0.036 0.000 2.797 357 C HA 0.580 5.045 4.460 0.009 0.000 0.306 357 C C -0.017 174.958 174.990 -0.025 0.000 1.207 357 C CA -1.105 57.902 59.018 -0.017 0.000 1.507 357 C CB 1.821 29.545 27.740 -0.026 0.000 2.028 357 C HN 0.153 nan 8.230 nan 0.000 0.475 358 I N 0.433 121.002 120.570 -0.002 0.000 2.750 358 I HA 0.806 4.981 4.170 0.009 0.000 0.308 358 I C -0.686 175.435 176.117 0.008 0.000 1.016 358 I CA -0.788 60.510 61.300 -0.003 0.000 1.098 358 I CB 1.695 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 4.247 123.852 119.600 0.008 0.000 2.591 359 M HA 0.638 5.124 4.480 0.009 0.000 0.306 359 M C -2.054 174.267 176.300 0.036 0.000 1.190 359 M CA -0.702 54.614 55.300 0.027 0.000 0.889 359 M CB 2.729 35.341 32.600 0.019 0.000 1.728 359 M HN 0.631 nan 8.290 nan 0.000 0.458 360 L N 2.336 123.590 121.223 0.051 0.000 2.386 360 L HA 0.716 5.061 4.340 0.009 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 0.592 116.328 115.700 0.060 0.000 2.614 361 S HA 0.693 5.168 4.470 0.009 0.000 0.259 361 S C 0.040 174.674 174.600 0.057 0.000 1.118 361 S CA 0.009 58.250 58.200 0.067 0.000 1.065 361 S CB 1.565 64.810 63.200 0.076 0.000 1.121 361 S HN 1.127 nan 8.310 nan 0.000 0.458 362 G N 3.670 112.501 108.800 0.053 0.000 2.493 362 G HA2 -0.274 3.691 3.960 0.009 0.000 0.206 362 G HA3 -0.274 3.691 3.960 0.009 0.000 0.206 362 G C 0.639 175.568 174.900 0.047 0.000 1.109 362 G CA 0.369 45.494 45.100 0.042 0.000 0.689 362 G HN 0.643 nan 8.290 nan 0.000 0.516 363 E N 0.588 120.821 120.200 0.055 0.000 2.153 363 E HA 0.066 4.421 4.350 0.009 0.000 0.194 363 E C 2.554 179.195 176.600 0.068 0.000 0.988 363 E CA 2.221 58.661 56.400 0.067 0.000 0.811 363 E CB -0.107 29.632 29.700 0.065 0.000 0.746 363 E HN 0.779 nan 8.360 nan 0.000 0.466 364 T N -3.638 110.952 114.554 0.060 0.000 2.959 364 T HA 0.416 4.772 4.350 0.009 0.000 0.254 364 T C 1.812 176.542 174.700 0.050 0.000 1.003 364 T CA 0.172 62.305 62.100 0.056 0.000 0.950 364 T CB 0.393 69.295 68.868 0.056 0.000 1.090 364 T HN 0.103 nan 8.240 nan 0.000 0.503 365 A N 2.964 125.815 122.820 0.052 0.000 1.898 365 A HA 0.186 4.511 4.320 0.009 0.000 0.214 365 A C 1.953 179.559 177.584 0.036 0.000 1.183 365 A CA 1.457 53.526 52.037 0.053 0.000 0.622 365 A CB -0.201 18.831 19.000 0.055 0.000 0.824 365 A HN 0.658 nan 8.150 nan 0.000 0.444 366 K N -1.684 118.729 120.400 0.022 0.000 2.582 366 K HA 0.349 4.674 4.320 0.009 0.000 0.204 366 K C 0.555 177.155 176.600 -0.001 0.000 1.221 366 K CA 0.374 56.664 56.287 0.006 0.000 1.048 366 K CB -0.442 32.053 32.500 -0.009 0.000 1.011 366 K HN 0.262 nan 8.250 nan 0.000 0.597 367 G N 0.242 109.050 108.800 0.013 0.000 2.580 367 G HA2 0.152 4.117 3.960 0.009 0.000 0.278 367 G HA3 0.152 4.117 3.960 0.009 0.000 0.278 367 G C -0.327 174.546 174.900 -0.045 0.000 1.212 367 G CA -0.476 44.632 45.100 0.014 0.000 0.939 367 G HN 0.140 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 4.686 4.640 0.009 0.000 0.224 368 D C -0.257 175.622 176.300 -0.703 0.000 1.029 368 D CA 0.870 54.625 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 4.736 4.550 0.009 0.000 0.284 369 Y C -1.613 174.299 175.900 0.021 0.000 0.944 369 Y CA -1.620 56.490 58.100 0.018 0.000 1.107 369 Y CB 0.980 39.450 38.460 0.018 0.000 1.188 369 Y HN -0.112 nan 8.280 nan 0.000 0.635 370 P HA -0.240 nan 4.420 nan 0.000 0.214 370 P C 1.510 178.862 177.300 0.088 0.000 1.169 370 P CA 1.452 64.601 63.100 0.081 0.000 0.908 370 P CB 0.617 32.345 31.700 0.047 0.000 0.791 371 L N 0.143 121.417 121.223 0.084 0.000 2.012 371 L HA -0.159 4.186 4.340 0.009 0.000 0.210 371 L C 2.696 179.616 176.870 0.082 0.000 1.073 371 L CA 1.875 56.759 54.840 0.073 0.000 0.748 371 L CB -1.722 40.376 42.059 0.065 0.000 0.891 371 L HN -0.041 nan 8.230 nan 0.000 0.431 372 E N -0.532 119.740 120.200 0.119 0.000 2.118 372 E HA -0.190 4.165 4.350 0.009 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 29.394 29.700 0.084 0.000 0.741 372 E HN 0.489 nan 8.360 nan 0.000 0.458 373 A N 0.946 123.819 122.820 0.089 0.000 1.898 373 A HA -0.124 4.202 4.320 0.009 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 -0.640 18.410 19.000 0.084 0.000 0.819 373 A HN 0.135 nan 8.150 nan 0.000 0.442 374 V N 0.107 120.061 119.914 0.066 0.000 2.295 374 V HA -0.276 3.849 4.120 0.009 0.000 0.246 374 V C 2.627 178.769 176.094 0.080 0.000 1.049 374 V CA 2.265 64.602 62.300 0.063 0.000 1.024 374 V CB -0.856 30.994 31.823 0.044 0.000 0.648 374 V HN 0.533 nan 8.190 nan 0.000 0.447 375 R N -0.865 119.676 120.500 0.067 0.000 2.105 375 R HA -0.199 4.146 4.340 0.009 0.000 0.239 375 R C 2.241 178.614 176.300 0.123 0.000 1.135 375 R CA 1.838 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 4.326 4.480 0.009 0.000 0.263 376 M C 1.976 178.318 176.300 0.070 0.000 1.065 376 M CA 1.756 57.094 55.300 0.064 0.000 1.122 376 M CB -0.145 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 4.101 4.340 0.009 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 0.270 119.360 119.070 0.034 0.000 2.352 378 H HA -0.158 4.404 4.556 0.010 0.000 0.299 378 H C 1.971 177.324 175.328 0.043 0.000 1.097 378 H CA 1.263 57.337 56.048 0.042 0.000 1.311 378 H CB 0.186 29.975 29.762 0.045 0.000 1.377 378 H HN 0.149 nan 8.280 nan 0.000 0.504 379 L N 0.973 122.224 121.223 0.046 0.000 1.994 379 L HA -0.156 4.189 4.340 0.009 0.000 0.208 379 L C 2.906 179.747 176.870 -0.049 0.000 1.071 379 L CA 1.337 56.172 54.840 -0.007 0.000 0.745 379 L CB -0.847 41.252 42.059 0.067 0.000 0.892 379 L HN 0.297 nan 8.230 nan 0.000 0.431 380 I N -1.081 119.480 120.570 -0.014 0.000 2.127 380 I HA -0.347 3.829 4.170 0.009 0.000 0.241 380 I C 2.604 178.706 176.117 -0.025 0.000 1.075 380 I CA 1.233 62.526 61.300 -0.012 0.000 1.334 380 I CB -0.721 37.282 38.000 0.003 0.000 1.040 380 I HN 0.265 nan 8.210 nan 0.000 0.405 381 A N 1.146 123.945 122.820 -0.035 0.000 1.869 381 A HA -0.268 4.058 4.320 0.009 0.000 0.218 381 A C 2.441 179.998 177.584 -0.045 0.000 1.203 381 A CA 1.915 53.933 52.037 -0.031 0.000 0.638 381 A CB -0.785 18.198 19.000 -0.029 0.000 0.831 381 A HN 0.303 nan 8.150 nan 0.000 0.450 382 R N -0.948 119.483 120.500 -0.115 0.000 2.115 382 R HA -0.239 4.106 4.340 0.009 0.000 0.239 382 R C 2.213 178.495 176.300 -0.029 0.000 1.133 382 R CA 1.983 58.026 56.100 -0.094 0.000 0.935 382 R CB -0.642 29.561 30.300 -0.161 0.000 0.853 382 R HN 0.651 nan 8.270 nan 0.000 0.433 383 E N 0.287 120.469 120.200 -0.029 0.000 2.070 383 E HA -0.183 4.172 4.350 0.009 0.000 0.197 383 E C 1.844 178.454 176.600 0.016 0.000 1.004 383 E CA 1.893 58.291 56.400 -0.003 0.000 0.805 383 E CB -0.252 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 0.415 123.244 122.820 0.015 0.000 1.930 384 A HA -0.189 4.136 4.320 0.009 0.000 0.217 384 A C 1.978 179.597 177.584 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 0.038 120.274 120.200 0.060 0.000 2.085 385 E HA -0.145 4.210 4.350 0.009 0.000 0.194 385 E C 2.257 178.970 176.600 0.188 0.000 0.994 385 E CA 1.048 57.511 56.400 0.105 0.000 0.801 385 E CB -0.328 29.426 29.700 0.090 0.000 0.743 385 E HN 0.616 nan 8.360 nan 0.000 0.453 386 A N 1.508 124.414 122.820 0.143 0.000 1.972 386 A HA -0.048 4.277 4.320 0.009 0.000 0.219 386 A C 2.347 180.051 177.584 0.199 0.000 1.169 386 A CA 1.438 53.576 52.037 0.169 0.000 0.635 386 A CB -0.493 18.558 19.000 0.085 0.000 0.810 386 A HN 0.277 nan 8.150 nan 0.000 0.446 387 A N -0.896 122.006 122.820 0.137 0.000 2.216 387 A HA 0.251 4.576 4.320 0.009 0.000 0.214 387 A C 1.170 178.908 177.584 0.257 0.000 1.160 387 A CA 0.236 52.352 52.037 0.132 0.000 0.725 387 A CB -0.597 18.441 19.000 0.063 0.000 0.784 387 A HN 0.582 nan 8.150 nan 0.000 0.472 388 M N -1.263 118.440 119.600 0.172 0.000 2.240 388 M HA 0.112 4.598 4.480 0.009 0.000 0.317 388 M C 0.177 176.504 176.300 0.044 0.000 1.087 388 M CA 0.437 55.738 55.300 0.002 0.000 1.176 388 M CB 0.215 32.586 32.600 -0.383 0.000 1.439 388 M HN 0.391 nan 8.290 nan 0.000 0.452 389 F N 2.885 122.608 119.950 -0.378 0.000 2.640 389 F HA 0.138 4.673 4.527 0.013 0.000 0.331 389 F C 1.287 176.860 175.800 -0.378 0.000 1.200 389 F CA -0.653 56.926 58.000 -0.701 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 1.056 120.108 119.070 -0.030 0.000 2.297 390 H HA -0.310 4.252 4.556 0.009 0.000 0.289 390 H C 2.373 177.509 175.328 -0.319 0.000 1.105 390 H CA 2.262 58.228 56.048 -0.138 0.000 1.219 390 H CB -0.152 29.495 29.762 -0.192 0.000 1.351 390 H HN 0.527 nan 8.280 nan 0.000 0.481 391 R N 1.079 121.378 120.500 -0.336 0.000 2.097 391 R HA -0.137 4.208 4.340 0.009 0.000 0.236 391 R C 2.402 178.467 176.300 -0.392 0.000 1.135 391 R CA 1.593 57.455 56.100 -0.396 0.000 0.934 391 R CB 0.039 30.116 30.300 -0.372 0.000 0.846 391 R HN 0.162 nan 8.270 nan 0.000 0.431 392 K N 0.465 120.362 120.400 -0.838 0.000 2.057 392 K HA -0.176 4.150 4.320 0.009 0.000 0.207 392 K C 2.124 178.573 176.600 -0.252 0.000 1.049 392 K CA 1.066 56.966 56.287 -0.645 0.000 0.931 392 K CB -0.454 31.392 32.500 -1.090 0.000 0.714 392 K HN 0.167 nan 8.250 nan 0.000 0.440 393 L N 0.853 121.949 121.223 -0.212 0.000 1.990 393 L HA -0.199 4.146 4.340 0.009 0.000 0.213 393 L C 2.203 179.119 176.870 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 0.094 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 -0.235 4.299 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 2.134 60.228 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 -0.035 120.219 120.200 0.090 0.000 2.058 395 E HA -0.235 4.120 4.350 0.009 0.000 0.194 395 E C 2.132 178.688 176.600 -0.074 0.000 0.997 395 E CA 1.730 58.121 56.400 -0.014 0.000 0.801 395 E CB -0.296 29.404 29.700 0.001 0.000 0.746 395 E HN 0.588 nan 8.360 nan 0.000 0.450 396 E N 0.361 120.534 120.200 -0.045 0.000 2.106 396 E HA -0.170 4.185 4.350 0.009 0.000 0.192 396 E C 2.059 178.635 176.600 -0.040 0.000 0.984 396 E CA 0.489 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 0.974 122.164 121.223 -0.054 0.000 2.083 397 L HA -0.126 4.220 4.340 0.009 0.000 0.209 397 L C 2.312 179.176 176.870 -0.010 0.000 1.083 397 L CA 1.649 56.461 54.840 -0.046 0.000 0.752 397 L CB -1.172 40.860 42.059 -0.044 0.000 0.899 397 L HN 0.042 nan 8.230 nan 0.000 0.433 398 A N -0.767 121.976 122.820 -0.129 0.000 1.873 398 A HA -0.213 4.112 4.320 0.009 0.000 0.215 398 A C 2.432 179.984 177.584 -0.053 0.000 1.186 398 A CA 1.508 53.457 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 -0.122 120.347 120.500 -0.050 0.000 2.091 399 R HA -0.076 4.269 4.340 0.009 0.000 0.238 399 R C 2.383 178.693 176.300 0.017 0.000 1.136 399 R CA 1.484 57.575 56.100 -0.016 0.000 0.959 399 R CB -0.685 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 0.234 123.063 122.820 0.015 0.000 1.948 400 A HA -0.196 4.129 4.320 0.009 0.000 0.220 400 A C 1.847 179.467 177.584 0.059 0.000 1.177 400 A CA 2.123 54.177 52.037 0.029 0.000 0.636 400 A CB -0.469 18.533 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 2.593 401 S HA 0.121 4.596 4.470 0.009 0.000 0.236 401 S C 1.379 176.038 174.600 0.100 0.000 0.991 401 S CA 0.638 58.898 58.200 0.100 0.000 0.963 401 S CB -0.244 63.034 63.200 0.130 0.000 0.865 401 S HN 0.771 nan 8.310 nan 0.000 0.488 402 S N 1.653 117.394 115.700 0.068 0.000 2.423 402 S HA -0.278 4.197 4.470 0.009 0.000 0.238 402 S C 1.439 176.027 174.600 -0.019 0.000 1.028 402 S CA 1.598 59.798 58.200 0.001 0.000 1.000 402 S CB -0.942 62.227 63.200 -0.050 0.000 0.797 402 S HN 0.716 nan 8.310 nan 0.000 0.487 403 H N 1.491 120.561 119.070 -0.001 0.000 2.457 403 H HA 0.242 4.801 4.556 0.004 0.000 0.294 403 H C 1.441 176.769 175.328 -0.002 0.000 1.064 403 H CA 1.070 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 0.464 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 4.631 4.470 0.009 0.000 0.273 404 S C 0.898 175.513 174.600 0.025 0.000 1.311 404 S CA -0.034 58.204 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 0.474 115.031 114.554 0.004 0.000 3.393 405 T HA 0.231 4.587 4.350 0.009 0.000 0.298 405 T C -0.240 174.435 174.700 -0.041 0.000 1.004 405 T CA -0.532 61.555 62.100 -0.020 0.000 0.956 405 T CB -0.473 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 0.055 4.700 4.640 0.009 0.000 0.236 406 D C 1.351 177.569 176.300 -0.137 0.000 1.137 406 D CA -0.016 53.935 54.000 -0.081 0.000 0.867 406 D CB 0.501 41.274 40.800 -0.046 0.000 1.170 406 D HN 0.167 nan 8.370 nan 0.000 0.474 407 L N 3.224 124.291 121.223 -0.259 0.000 2.046 407 L HA -0.192 4.153 4.340 0.009 0.000 0.208 407 L C 2.221 178.881 176.870 -0.349 0.000 1.077 407 L CA 0.899 55.527 54.840 -0.353 0.000 0.747 407 L CB -0.428 41.260 42.059 -0.618 0.000 0.896 407 L HN 0.633 nan 8.230 nan 0.000 0.432 408 M N -0.010 119.319 119.600 -0.451 0.000 2.175 408 M HA -0.171 4.314 4.480 0.009 0.000 0.264 408 M C 2.034 178.352 176.300 0.029 0.000 1.063 408 M CA 1.684 56.922 55.300 -0.103 0.000 1.119 408 M CB -0.394 32.192 32.600 -0.023 0.000 1.377 408 M HN 0.101 nan 8.290 nan 0.000 0.415 409 E N -0.324 119.880 120.200 0.007 0.000 2.085 409 E HA -0.209 4.146 4.350 0.009 0.000 0.194 409 E C 1.959 178.543 176.600 -0.027 0.000 0.994 409 E CA 1.383 57.825 56.400 0.071 0.000 0.801 409 E CB -0.296 29.456 29.700 0.086 0.000 0.743 409 E HN 0.652 nan 8.360 nan 0.000 0.453 410 A N 1.229 124.024 122.820 -0.041 0.000 1.883 410 A HA -0.215 4.110 4.320 0.009 0.000 0.217 410 A C 2.151 179.735 177.584 -0.001 0.000 1.186 410 A CA 1.463 53.475 52.037 -0.043 0.000 0.624 410 A CB -0.375 18.609 19.000 -0.027 0.000 0.822 410 A HN 0.140 nan 8.150 nan 0.000 0.444 411 M N -0.354 119.283 119.600 0.062 0.000 2.080 411 M HA -0.160 4.325 4.480 0.009 0.000 0.260 411 M C 2.550 178.894 176.300 0.073 0.000 1.068 411 M CA 1.680 57.044 55.300 0.107 0.000 1.109 411 M CB -1.678 31.055 32.600 0.223 0.000 1.342 411 M HN 0.499 nan 8.290 nan 0.000 0.405 412 A N 0.423 123.295 122.820 0.085 0.000 1.859 412 A HA -0.218 4.108 4.320 0.009 0.000 0.217 412 A C 2.258 179.872 177.584 0.051 0.000 1.198 412 A CA 2.164 54.266 52.037 0.108 0.000 0.629 412 A CB -0.742 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 -0.677 118.871 119.600 -0.087 0.000 2.108 413 M HA -0.137 4.349 4.480 0.009 0.000 0.261 413 M C 2.308 178.632 176.300 0.039 0.000 1.066 413 M CA 1.518 56.782 55.300 -0.059 0.000 1.107 413 M CB -0.774 31.653 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 3.788 3.960 0.009 0.000 0.217 414 G HA3 -0.178 3.788 3.960 0.009 0.000 0.217 414 G C 1.606 176.474 174.900 -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 0.117 115.791 115.700 -0.043 0.000 2.345 415 S HA -0.109 4.366 4.470 0.009 0.000 0.220 415 S C 2.524 177.020 174.600 -0.173 0.000 1.031 415 S CA 1.209 59.365 58.200 -0.073 0.000 0.996 415 S CB -0.394 62.790 63.200 -0.027 0.000 0.882 415 S HN 0.175 nan 8.310 nan 0.000 0.445 416 V N 1.966 121.758 119.914 -0.203 0.000 2.332 416 V HA -0.200 3.925 4.120 0.009 0.000 0.248 416 V C 2.572 178.190 176.094 -0.793 0.000 1.055 416 V CA 2.116 64.133 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 0.967 120.821 120.200 -0.577 0.000 2.023 417 E HA -0.231 4.124 4.350 0.009 0.000 0.196 417 E C 2.188 178.644 176.600 -0.239 0.000 1.003 417 E CA 1.989 58.128 56.400 -0.434 0.000 0.809 417 E CB -0.699 28.864 29.700 -0.229 0.000 0.755 417 E HN 0.480 nan 8.360 nan 0.000 0.449 418 A N 0.279 122.990 122.820 -0.181 0.000 1.917 418 A HA -0.259 4.067 4.320 0.009 0.000 0.219 418 A C 2.436 179.943 177.584 -0.128 0.000 1.182 418 A CA 2.950 54.917 52.037 -0.116 0.000 0.633 418 A CB -1.239 17.706 19.000 -0.091 0.000 0.819 418 A HN 0.476 nan 8.150 nan 0.000 0.448 419 S N -1.309 114.266 115.700 -0.208 0.000 2.382 419 S HA -0.209 4.266 4.470 0.009 0.000 0.228 419 S C 1.893 176.414 174.600 -0.131 0.000 1.027 419 S CA 1.558 59.641 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 2.261 122.472 120.300 -0.147 0.000 2.145 420 Y HA 0.088 4.643 4.550 0.009 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 37.357 38.460 -0.189 0.000 0.981 420 Y HN 0.248 nan 8.280 nan 0.000 0.507 421 K N 0.772 121.213 120.400 0.069 0.000 2.032 421 K HA -0.165 4.161 4.320 0.009 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 0.501 nan 8.250 nan 0.000 0.441 422 C N -0.561 118.730 119.300 -0.014 0.000 2.855 422 C HA 0.485 4.951 4.460 0.009 0.000 0.279 422 C C 0.504 175.483 174.990 -0.019 0.000 1.270 422 C CA -0.851 58.156 59.018 -0.020 0.000 1.702 422 C CB -1.407 26.313 27.740 -0.033 0.000 1.949 422 C HN 0.462 nan 8.230 nan 0.000 0.618 423 L N 0.588 121.806 121.223 -0.008 0.000 3.677 423 L HA -0.225 4.121 4.340 0.009 0.000 0.464 423 L C 1.092 177.947 176.870 -0.025 0.000 1.278 423 L CA 0.315 55.151 54.840 -0.006 0.000 0.806 423 L CB -2.163 39.896 42.059 0.000 0.000 1.610 423 L HN 0.709 nan 8.230 nan 0.000 0.867 424 A N 0.206 122.998 122.820 -0.047 0.000 2.507 424 A HA 0.470 4.796 4.320 0.009 0.000 0.235 424 A C 1.443 178.998 177.584 -0.048 0.000 1.070 424 A CA 0.720 52.718 52.037 -0.066 0.000 0.768 424 A CB 0.564 19.510 19.000 -0.089 0.000 1.011 424 A HN 0.735 nan 8.150 nan 0.000 0.502 425 A N 1.050 123.836 122.820 -0.058 0.000 2.067 425 A HA 0.502 4.828 4.320 0.009 0.000 0.217 425 A C 1.082 178.706 177.584 0.066 0.000 1.156 425 A CA 1.778 53.828 52.037 0.022 0.000 0.683 425 A CB -0.462 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 -2.222 120.587 122.820 -0.018 0.000 2.522 426 A HA 0.572 4.897 4.320 0.009 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 0.050 19.176 19.000 0.209 0.000 1.310 426 A HN 0.354 nan 8.150 nan 0.000 0.436 427 L N 0.833 122.058 121.223 0.003 0.000 2.349 427 L HA 0.608 4.954 4.340 0.009 0.000 0.278 427 L C -0.636 176.249 176.870 0.024 0.000 0.996 427 L CA 0.032 54.865 54.840 -0.010 0.000 0.825 427 L CB 1.612 43.663 42.059 -0.014 0.000 1.243 427 L HN 0.578 nan 8.230 nan 0.000 0.412 428 I N 3.925 124.500 120.570 0.009 0.000 2.315 428 I HA 0.391 4.567 4.170 0.009 0.000 0.291 428 I C -0.638 175.487 176.117 0.014 0.000 1.006 428 I CA -0.624 60.693 61.300 0.027 0.000 1.265 428 I CB 1.382 39.389 38.000 0.013 0.000 1.387 428 I HN 0.209 nan 8.210 nan 0.000 0.475 429 V N 7.682 127.609 119.914 0.022 0.000 2.444 429 V HA 0.309 4.434 4.120 0.009 0.000 0.294 429 V C -0.257 175.836 176.094 -0.003 0.000 1.022 429 V CA -0.656 61.650 62.300 0.009 0.000 0.850 429 V CB 1.780 33.609 31.823 0.010 0.000 0.992 429 V HN 0.372 nan 8.190 nan 0.000 0.426 430 L N 4.709 125.925 121.223 -0.012 0.000 2.261 430 L HA 0.649 4.994 4.340 0.009 0.000 0.289 430 L C 0.356 177.216 176.870 -0.018 0.000 1.059 430 L CA 0.910 55.736 54.840 -0.024 0.000 0.816 430 L CB 1.181 43.212 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 0.441 4.796 4.350 0.009 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 1.301 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 1.106 121.285 120.200 -0.035 0.000 2.290 432 E HA 0.088 4.444 4.350 0.009 0.000 0.199 432 E C 2.087 178.673 176.600 -0.023 0.000 0.912 432 E CA 0.959 57.347 56.400 -0.020 0.000 0.924 432 E CB 0.077 29.774 29.700 -0.005 0.000 0.901 432 E HN 0.661 nan 8.360 nan 0.000 0.487 433 S N -0.901 114.777 115.700 -0.037 0.000 2.478 433 S HA 0.207 4.682 4.470 0.009 0.000 0.222 433 S C 1.709 176.250 174.600 -0.099 0.000 1.008 433 S CA 0.969 59.152 58.200 -0.029 0.000 0.928 433 S CB 0.530 63.724 63.200 -0.010 0.000 0.781 433 S HN 0.274 nan 8.310 nan 0.000 0.518 434 G N 2.072 110.745 108.800 -0.211 0.000 2.234 434 G HA2 -0.342 3.623 3.960 0.009 0.000 0.235 434 G HA3 -0.342 3.623 3.960 0.009 0.000 0.235 434 G C 0.995 175.353 174.900 -0.903 0.000 0.997 434 G CA 0.408 45.197 45.100 -0.517 0.000 0.623 434 G HN 0.480 nan 8.290 nan 0.000 0.514 435 R N 1.200 121.421 120.500 -0.466 0.000 2.133 435 R HA -0.169 4.177 4.340 0.009 0.000 0.245 435 R C 2.619 178.815 176.300 -0.173 0.000 1.137 435 R CA 2.658 58.615 56.100 -0.239 0.000 0.947 435 R CB -0.623 29.665 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 4.285 4.470 0.009 0.000 0.225 436 S C 2.058 176.633 174.600 -0.042 0.000 1.039 436 S CA 1.436 59.632 58.200 -0.007 0.000 1.033 436 S CB -0.353 62.861 63.200 0.024 0.000 0.887 436 S HN 0.600 nan 8.310 nan 0.000 0.447 437 A N 1.977 124.708 122.820 -0.149 0.000 1.898 437 A HA -0.123 4.202 4.320 0.009 0.000 0.216 437 A C 1.879 179.416 177.584 -0.079 0.000 1.181 437 A CA 1.362 53.336 52.037 -0.104 0.000 0.620 437 A CB -0.864 18.058 19.000 -0.129 0.000 0.819 437 A HN 0.492 nan 8.150 nan 0.000 0.442 438 H N -0.582 118.336 119.070 -0.255 0.000 2.289 438 H HA -0.174 4.387 4.556 0.008 0.000 0.296 438 H C 2.193 177.448 175.328 -0.121 0.000 1.091 438 H CA 2.033 57.811 56.048 -0.449 0.000 1.274 438 H CB -0.737 28.654 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 4.246 4.340 0.009 0.000 0.206 439 Q C 2.550 178.673 176.000 0.206 0.000 0.987 439 Q CA 1.243 57.136 55.803 0.150 0.000 0.858 439 Q CB -0.485 28.343 28.738 0.149 0.000 0.905 439 Q HN 0.272 nan 8.270 nan 0.000 0.420 440 V N -0.013 119.994 119.914 0.155 0.000 2.427 440 V HA -0.218 3.908 4.120 0.009 0.000 0.248 440 V C 2.090 178.292 176.094 0.179 0.000 1.051 440 V CA 1.583 63.986 62.300 0.172 0.000 1.048 440 V CB -1.023 30.861 31.823 0.100 0.000 0.666 440 V HN 0.442 nan 8.190 nan 0.000 0.456 441 A N -0.241 122.666 122.820 0.145 0.000 1.969 441 A HA -0.172 4.153 4.320 0.009 0.000 0.218 441 A C 2.391 180.057 177.584 0.137 0.000 1.169 441 A CA 1.268 53.401 52.037 0.159 0.000 0.635 441 A CB -0.514 18.604 19.000 0.197 0.000 0.810 441 A HN 0.350 nan 8.150 nan 0.000 0.445 442 R N -0.898 119.651 120.500 0.081 0.000 2.103 442 R HA -0.167 4.178 4.340 0.009 0.000 0.242 442 R C 0.355 176.491 176.300 -0.274 0.000 1.142 442 R CA 1.554 57.584 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 0.601 nan 8.270 nan 0.000 0.439 443 Y N 1.364 121.761 120.300 0.162 0.000 2.596 443 Y HA 0.212 4.765 4.550 0.004 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 0.075 38.727 38.460 0.320 0.000 1.130 443 Y HN -0.114 nan 8.280 nan 0.000 0.518 444 R N -0.061 120.618 120.500 0.299 0.000 2.879 444 R HA -0.184 4.161 4.340 0.009 0.000 0.241 444 R C -2.775 173.760 176.300 0.391 0.000 0.845 444 R CA 0.062 56.353 56.100 0.318 0.000 0.599 444 R CB -1.975 28.503 30.300 0.297 0.000 1.213 444 R HN 0.343 nan 8.270 nan 0.000 0.510 445 P HA 0.032 nan 4.420 nan 0.000 0.273 445 P C 0.630 178.040 177.300 0.184 0.000 1.250 445 P CA -0.295 62.827 63.100 0.036 0.000 0.793 445 P CB 0.709 32.363 31.700 -0.077 0.000 1.011 446 R N 0.889 121.438 120.500 0.083 0.000 2.090 446 R HA 0.118 4.463 4.340 0.009 0.000 0.219 446 R C 0.972 177.259 176.300 -0.022 0.000 1.100 446 R CA 0.461 56.515 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 2.352 125.148 122.820 -0.039 0.000 2.346 447 A HA 0.351 4.677 4.320 0.009 0.000 0.252 447 A C -2.240 175.320 177.584 -0.040 0.000 1.089 447 A CA -1.337 50.672 52.037 -0.046 0.000 0.797 447 A CB -0.070 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 0.291 nan 4.420 nan 0.000 0.274 448 P C -0.963 176.341 177.300 0.007 0.000 1.231 448 P CA 0.162 63.208 63.100 -0.090 0.000 0.790 448 P CB 0.644 32.132 31.700 -0.355 0.000 0.951 449 I N 3.380 123.992 120.570 0.069 0.000 2.337 449 I HA 0.290 4.465 4.170 0.009 0.000 0.285 449 I C 0.585 176.789 176.117 0.145 0.000 1.041 449 I CA -0.673 60.681 61.300 0.091 0.000 1.199 449 I CB 0.543 38.597 38.000 0.090 0.000 1.370 449 I HN 0.113 nan 8.210 nan 0.000 0.470 450 I N 6.323 126.980 120.570 0.145 0.000 2.294 450 I HA 0.265 4.441 4.170 0.009 0.000 0.295 450 I C 0.709 176.901 176.117 0.126 0.000 1.098 450 I CA -0.099 61.311 61.300 0.183 0.000 1.277 450 I CB 0.627 38.736 38.000 0.182 0.000 1.434 450 I HN 0.570 nan 8.210 nan 0.000 0.498 451 A N 7.154 130.045 122.820 0.118 0.000 2.269 451 A HA 0.563 4.889 4.320 0.009 0.000 0.302 451 A C -0.240 177.374 177.584 0.049 0.000 1.266 451 A CA -0.390 51.679 52.037 0.053 0.000 0.894 451 A CB 0.521 19.530 19.000 0.016 0.000 1.147 451 A HN 0.465 nan 8.150 nan 0.000 0.537 452 V N 3.135 123.065 119.914 0.027 0.000 2.350 452 V HA 0.585 4.710 4.120 0.009 0.000 0.276 452 V C 0.549 176.637 176.094 -0.011 0.000 1.028 452 V CA -0.013 62.297 62.300 0.016 0.000 0.860 452 V CB 1.129 32.957 31.823 0.009 0.000 0.990 452 V HN 0.967 nan 8.190 nan 0.000 0.453 453 T N 4.379 118.921 114.554 -0.020 0.000 2.906 453 T HA 0.448 4.803 4.350 0.009 0.000 0.295 453 T C 0.635 175.302 174.700 -0.054 0.000 1.075 453 T CA -0.606 61.475 62.100 -0.032 0.000 1.005 453 T CB 1.841 70.691 68.868 -0.031 0.000 1.136 453 T HN 0.629 nan 8.240 nan 0.000 0.498 454 R N 1.181 121.659 120.500 -0.036 0.000 2.290 454 R HA 0.198 4.543 4.340 0.009 0.000 0.197 454 R C 0.464 176.755 176.300 -0.015 0.000 0.913 454 R CA -0.184 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 0.787 119.488 118.700 0.002 0.000 2.408 455 N HA -0.028 4.718 4.740 0.009 0.000 0.257 455 N C 0.245 175.786 175.510 0.051 0.000 1.064 455 N CA 0.298 53.386 53.050 0.063 0.000 0.952 455 N CB 0.868 39.386 38.487 0.051 0.000 1.093 455 N HN 0.093 nan 8.380 nan 0.000 0.490 456 H N 2.126 121.231 119.070 0.059 0.000 2.357 456 H HA -0.087 4.474 4.556 0.009 0.000 0.301 456 H C 1.618 176.997 175.328 0.086 0.000 1.082 456 H CA 1.866 57.964 56.048 0.084 0.000 1.342 456 H CB 0.221 30.033 29.762 0.083 0.000 1.389 456 H HN 0.683 nan 8.280 nan 0.000 0.511 457 Q N 0.076 119.994 119.800 0.196 0.000 2.170 457 Q HA -0.148 4.198 4.340 0.009 0.000 0.203 457 Q C 1.679 177.753 176.000 0.124 0.000 0.976 457 Q CA 1.789 57.675 55.803 0.139 0.000 0.858 457 Q CB 0.048 28.848 28.738 0.104 0.000 0.907 457 Q HN 0.366 nan 8.270 nan 0.000 0.433 458 T N 0.304 114.920 114.554 0.104 0.000 2.668 458 T HA -0.120 4.236 4.350 0.009 0.000 0.262 458 T C 1.778 176.528 174.700 0.084 0.000 1.045 458 T CA 1.371 63.525 62.100 0.090 0.000 1.152 458 T CB -0.571 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 -0.242 4.083 4.320 0.009 0.000 0.219 459 A C 2.322 179.933 177.584 0.045 0.000 1.191 459 A CA 2.124 54.175 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 -0.885 119.690 120.500 0.125 0.000 2.070 460 R HA -0.146 4.199 4.340 0.009 0.000 0.233 460 R C 2.497 178.930 176.300 0.222 0.000 1.137 460 R CA 1.855 58.070 56.100 0.192 0.000 0.945 460 R CB -0.293 30.107 30.300 0.166 0.000 0.845 460 R HN 0.735 nan 8.270 nan 0.000 0.430 461 Q N -0.582 119.327 119.800 0.181 0.000 2.291 461 Q HA -0.032 4.314 4.340 0.009 0.000 0.205 461 Q C 1.948 178.104 176.000 0.261 0.000 0.970 461 Q CA 0.914 56.841 55.803 0.205 0.000 0.876 461 Q CB 0.058 28.913 28.738 0.195 0.000 0.935 461 Q HN 0.347 nan 8.270 nan 0.000 0.455 462 A N 0.742 123.688 122.820 0.210 0.000 1.986 462 A HA -0.249 4.076 4.320 0.009 0.000 0.220 462 A C 1.340 179.039 177.584 0.191 0.000 1.171 462 A CA 1.646 53.817 52.037 0.224 0.000 0.640 462 A CB -0.733 18.290 19.000 0.039 0.000 0.811 462 A HN 0.424 nan 8.150 nan 0.000 0.451 463 H N -1.445 117.720 119.070 0.158 0.000 2.489 463 H HA -0.087 4.475 4.556 0.009 0.000 0.295 463 H C 1.644 177.026 175.328 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 29.733 29.762 0.040 0.000 1.380 463 H HN 0.350 nan 8.280 nan 0.000 0.548 464 L N -0.052 121.281 121.223 0.183 0.000 2.265 464 L HA -0.143 4.202 4.340 0.009 0.000 0.215 464 L C -0.182 176.545 176.870 -0.237 0.000 1.117 464 L CA 1.267 56.073 54.840 -0.057 0.000 0.782 464 L CB -0.572 41.380 42.059 -0.178 0.000 0.914 464 L HN 0.242 nan 8.230 nan 0.000 0.441 465 Y N -0.890 119.428 120.300 0.030 0.000 2.330 465 Y HA 0.435 4.990 4.550 0.008 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 39.103 38.460 0.047 0.000 1.194 465 Y HN -0.157 nan 8.280 nan 0.000 0.469 466 R N 1.601 122.205 120.500 0.174 0.000 2.502 466 R HA 0.267 4.612 4.340 0.009 0.000 0.292 466 R C 1.167 177.565 176.300 0.162 0.000 0.998 466 R CA 1.252 57.435 56.100 0.138 0.000 1.056 466 R CB -0.440 29.923 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 -0.309 3.656 3.960 0.009 0.000 0.257 467 G HA3 -0.309 3.656 3.960 0.009 0.000 0.257 467 G C 0.278 175.270 174.900 0.153 0.000 0.998 467 G CA 0.283 45.465 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 0.407 4.582 4.170 0.009 0.000 0.289 468 I C -0.100 176.100 176.117 0.139 0.000 1.056 468 I CA -0.508 60.880 61.300 0.147 0.000 1.365 468 I CB 0.688 38.763 38.000 0.126 0.000 1.407 468 I HN 0.083 nan 8.210 nan 0.000 0.509 469 F N 10.267 130.238 119.950 0.035 0.000 2.307 469 F HA 0.458 4.990 4.527 0.008 0.000 0.369 469 F C -2.119 173.689 175.800 0.013 0.000 1.076 469 F CA -2.986 55.047 58.000 0.055 0.000 1.149 469 F CB 0.562 39.669 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 -1.059 176.295 177.300 0.090 0.000 1.205 470 P CA 0.178 63.264 63.100 -0.024 0.000 0.771 470 P CB 1.900 33.484 31.700 -0.193 0.000 0.858 471 V N 3.903 123.880 119.914 0.106 0.000 2.623 471 V HA 0.163 4.289 4.120 0.009 0.000 0.304 471 V C 0.084 176.212 176.094 0.057 0.000 1.054 471 V CA -0.786 61.588 62.300 0.124 0.000 0.882 471 V CB 2.433 34.343 31.823 0.144 0.000 1.002 471 V HN 0.253 nan 8.190 nan 0.000 0.424 472 V N 3.938 123.889 119.914 0.063 0.000 2.364 472 V HA 0.232 4.358 4.120 0.009 0.000 0.272 472 V C 0.392 176.466 176.094 -0.033 0.000 1.036 472 V CA -0.427 61.845 62.300 -0.047 0.000 0.880 472 V CB 1.298 33.027 31.823 -0.157 0.000 0.991 472 V HN 1.038 nan 8.190 nan 0.000 0.460 473 C N 6.533 125.805 119.300 -0.046 0.000 2.566 473 C HA 0.316 4.781 4.460 0.009 0.000 0.393 473 C C 1.413 176.387 174.990 -0.027 0.000 1.309 473 C CA -0.305 58.698 59.018 -0.025 0.000 1.801 473 C CB -0.606 27.118 27.740 -0.026 0.000 2.493 473 C HN 1.008 nan 8.230 nan 0.000 0.575 474 K N 2.713 123.109 120.400 -0.007 0.000 2.358 474 K HA 0.145 4.470 4.320 0.009 0.000 0.200 474 K C 0.060 176.667 176.600 0.013 0.000 1.030 474 K CA -0.176 56.120 56.287 0.014 0.000 1.097 474 K CB 0.213 32.720 32.500 0.013 0.000 0.862 474 K HN 0.722 nan 8.250 nan 0.000 0.534 475 D N 3.023 123.424 120.400 0.002 0.000 2.372 475 D HA 0.080 4.725 4.640 0.009 0.000 0.243 475 D C -2.164 174.137 176.300 0.002 0.000 1.121 475 D CA -1.228 52.771 54.000 -0.001 0.000 0.898 475 D CB 0.915 41.709 40.800 -0.010 0.000 1.202 475 D HN 0.028 nan 8.370 nan 0.000 0.428 476 P HA 0.028 nan 4.420 nan 0.000 0.274 476 P C -0.131 177.172 177.300 0.005 0.000 1.231 476 P CA -0.421 62.684 63.100 0.008 0.000 0.790 476 P CB 0.752 32.456 31.700 0.007 0.000 0.951 477 V N 2.544 122.465 119.914 0.012 0.000 2.644 477 V HA -0.100 4.025 4.120 0.009 0.000 0.305 477 V C 1.135 177.237 176.094 0.012 0.000 1.053 477 V CA 0.691 63.001 62.300 0.015 0.000 1.186 477 V CB -0.580 31.263 31.823 0.033 0.000 0.895 477 V HN 0.587 nan 8.190 nan 0.000 0.490 478 Q N 2.839 122.640 119.800 0.002 0.000 2.312 478 Q HA 0.158 4.503 4.340 0.009 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 29.432 28.738 -0.024 0.000 1.225 478 Q HN 0.690 nan 8.270 nan 0.000 0.478 479 E N 1.141 121.354 120.200 0.023 0.000 2.031 479 E HA -0.079 4.277 4.350 0.009 0.000 0.193 479 E C -0.536 176.099 176.600 0.059 0.000 0.994 479 E CA 0.980 57.401 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 1.896 124.746 122.820 0.049 0.000 2.302 480 A HA 0.051 4.376 4.320 0.009 0.000 0.295 480 A C 0.905 178.546 177.584 0.095 0.000 1.235 480 A CA -0.420 51.661 52.037 0.075 0.000 0.876 480 A CB -0.475 18.550 19.000 0.042 0.000 1.133 480 A HN 0.556 nan 8.150 nan 0.000 0.533 481 W N 3.509 124.796 121.300 -0.023 0.000 2.290 481 W HA -0.382 4.283 4.660 0.008 0.000 0.323 481 W C 1.650 178.151 176.519 -0.030 0.000 1.260 481 W CA 2.796 60.120 57.345 -0.034 0.000 1.266 481 W CB -0.484 28.952 29.460 -0.040 0.000 1.149 481 W HN 0.758 nan 8.180 nan 0.000 0.482 482 A N 0.776 123.538 122.820 -0.097 0.000 1.903 482 A HA -0.303 4.022 4.320 0.009 0.000 0.219 482 A C 1.859 179.299 177.584 -0.240 0.000 1.191 482 A CA 2.373 54.286 52.037 -0.206 0.000 0.638 482 A CB -1.151 17.837 19.000 -0.021 0.000 0.823 482 A HN 0.583 nan 8.150 nan 0.000 0.451 483 E N -0.959 119.155 120.200 -0.143 0.000 2.047 483 E HA -0.209 4.147 4.350 0.009 0.000 0.191 483 E C 1.823 178.319 176.600 -0.173 0.000 0.987 483 E CA 1.170 57.497 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 4.497 4.640 0.009 0.000 0.201 484 D C 1.806 177.906 176.300 -0.333 0.000 0.986 484 D CA 0.751 54.619 54.000 -0.220 0.000 0.847 484 D CB 0.200 40.894 40.800 -0.178 0.000 0.942 484 D HN -0.054 nan 8.370 nan 0.000 0.467 485 V N 0.602 120.200 119.914 -0.527 0.000 2.270 485 V HA -0.195 3.930 4.120 0.009 0.000 0.245 485 V C 1.787 177.711 176.094 -0.284 0.000 1.043 485 V CA 1.968 63.955 62.300 -0.522 0.000 1.014 485 V CB -0.523 30.879 31.823 -0.701 0.000 0.645 485 V HN 0.202 nan 8.190 nan 0.000 0.447 486 D N 0.041 120.304 120.400 -0.228 0.000 2.149 486 D HA -0.172 4.473 4.640 0.009 0.000 0.198 486 D C 1.905 178.139 176.300 -0.110 0.000 0.990 486 D CA 1.065 54.980 54.000 -0.140 0.000 0.839 486 D CB -0.454 40.280 40.800 -0.110 0.000 0.948 486 D HN 0.321 nan 8.370 nan 0.000 0.460 487 L N 0.780 121.932 121.223 -0.118 0.000 1.971 487 L HA -0.191 4.154 4.340 0.009 0.000 0.215 487 L C 2.257 179.082 176.870 -0.075 0.000 1.072 487 L CA 1.827 56.616 54.840 -0.084 0.000 0.758 487 L CB -0.373 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 4.219 4.340 0.009 0.000 0.237 488 R C 2.158 178.425 176.300 -0.056 0.000 1.137 488 R CA 1.723 57.776 56.100 -0.078 0.000 0.951 488 R CB -0.866 29.370 30.300 -0.107 0.000 0.851 488 R HN 0.351 nan 8.270 nan 0.000 0.434 489 V N 1.387 121.255 119.914 -0.075 0.000 2.407 489 V HA -0.264 3.861 4.120 0.009 0.000 0.248 489 V C 2.125 178.207 176.094 -0.020 0.000 1.055 489 V CA 1.861 64.132 62.300 -0.049 0.000 1.049 489 V CB -0.624 31.157 31.823 -0.071 0.000 0.662 489 V HN 0.455 nan 8.190 nan 0.000 0.455 490 N N 0.033 118.716 118.700 -0.028 0.000 2.188 490 N HA -0.140 4.605 4.740 0.009 0.000 0.184 490 N C 1.865 177.381 175.510 0.010 0.000 1.018 490 N CA 1.373 54.419 53.050 -0.008 0.000 0.858 490 N CB -0.053 38.422 38.487 -0.020 0.000 0.989 490 N HN 0.420 nan 8.380 nan 0.000 0.426 491 L N 1.543 122.767 121.223 0.001 0.000 2.012 491 L HA -0.098 4.247 4.340 0.009 0.000 0.210 491 L C 2.290 179.177 176.870 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 41.013 42.059 0.006 0.000 0.891 491 L HN 0.115 nan 8.230 nan 0.000 0.431 492 A N -0.662 122.184 122.820 0.043 0.000 1.908 492 A HA -0.230 4.095 4.320 0.009 0.000 0.218 492 A C 2.225 179.898 177.584 0.149 0.000 1.181 492 A CA 2.218 54.305 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 0.530 nan 8.150 nan 0.000 0.445 493 M N -0.125 119.567 119.600 0.153 0.000 2.149 493 M HA -0.174 4.311 4.480 0.009 0.000 0.261 493 M C 1.680 178.093 176.300 0.189 0.000 1.064 493 M CA 1.573 57.029 55.300 0.261 0.000 1.102 493 M CB -1.755 30.922 32.600 0.129 0.000 1.369 493 M HN 0.582 nan 8.290 nan 0.000 0.408 494 N N -0.346 118.387 118.700 0.055 0.000 2.173 494 N HA -0.075 4.670 4.740 0.009 0.000 0.184 494 N C 1.796 177.234 175.510 -0.120 0.000 1.025 494 N CA 0.727 53.764 53.050 -0.022 0.000 0.852 494 N CB 0.124 38.601 38.487 -0.015 0.000 0.998 494 N HN 0.031 nan 8.380 nan 0.000 0.427 495 V N 1.095 120.940 119.914 -0.115 0.000 2.252 495 V HA -0.239 3.887 4.120 0.009 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 -1.287 30.461 31.823 -0.125 0.000 0.641 495 V HN 0.452 nan 8.190 nan 0.000 0.445 496 G N -0.530 107.959 108.800 -0.520 0.000 2.446 496 G HA2 -0.262 3.703 3.960 0.009 0.000 0.217 496 G HA3 -0.262 3.703 3.960 0.009 0.000 0.217 496 G C 1.657 175.854 174.900 -1.173 0.000 1.168 496 G CA 0.960 45.394 45.100 -1.111 0.000 0.771 496 G HN 0.467 nan 8.290 nan 0.000 0.551 497 K N 0.546 120.508 120.400 -0.729 0.000 2.057 497 K HA -0.021 4.304 4.320 0.009 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 1.397 124.023 122.820 -0.324 0.000 1.855 498 A HA -0.143 4.183 4.320 0.009 0.000 0.215 498 A C 2.027 179.403 177.584 -0.346 0.000 1.191 498 A CA 1.327 53.206 52.037 -0.263 0.000 0.613 498 A CB -0.329 18.546 19.000 -0.207 0.000 0.829 498 A HN 0.099 nan 8.150 nan 0.000 0.442 499 R N -0.884 119.268 120.500 -0.579 0.000 2.357 499 R HA 0.119 4.465 4.340 0.009 0.000 0.202 499 R C 1.273 177.201 176.300 -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 28.595 30.300 -1.523 0.000 0.875 499 R HN 0.911 nan 8.270 nan 0.000 0.473 500 G N -0.838 107.690 108.800 -0.453 0.000 2.147 500 G HA2 -0.263 3.702 3.960 0.009 0.000 0.244 500 G HA3 -0.263 3.702 3.960 0.009 0.000 0.244 500 G C 0.459 175.352 174.900 -0.013 0.000 1.005 500 G CA 0.221 45.207 45.100 -0.190 0.000 0.713 500 G HN 0.274 nan 8.290 nan 0.000 0.515 501 F N -0.343 119.381 119.950 -0.375 0.000 2.416 501 F HA 0.406 4.939 4.527 0.010 0.000 0.296 501 F C 1.266 176.994 175.800 -0.120 0.000 1.099 501 F CA 0.359 58.179 58.000 -0.301 0.000 1.427 501 F CB -0.481 38.255 39.000 -0.440 0.000 1.079 501 F HN 0.463 nan 8.300 nan 0.000 0.536 502 F N -1.718 118.305 119.950 0.122 0.000 2.769 502 F HA 0.546 5.079 4.527 0.009 0.000 0.313 502 F C -1.154 174.656 175.800 0.017 0.000 1.146 502 F CA -2.445 55.588 58.000 0.056 0.000 0.934 502 F CB 0.635 39.664 39.000 0.047 0.000 1.283 502 F HN -0.224 nan 8.300 nan 0.000 0.443 503 K N 0.249 120.836 120.400 0.311 0.000 2.313 503 K HA 0.513 4.839 4.320 0.009 0.000 0.235 503 K C -0.959 175.749 176.600 0.181 0.000 1.035 503 K CA -1.219 55.185 56.287 0.196 0.000 0.868 503 K CB 1.064 33.619 32.500 0.091 0.000 1.232 503 K HN 0.812 nan 8.250 nan 0.000 0.459 504 K N 0.016 120.485 120.400 0.114 0.000 2.530 504 K HA 0.069 4.394 4.320 0.009 0.000 0.280 504 K C 0.552 177.175 176.600 0.039 0.000 1.004 504 K CA 1.726 58.053 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 3.254 112.060 108.800 0.009 0.000 2.397 505 G HA2 -0.232 3.734 3.960 0.009 0.000 0.211 505 G HA3 -0.232 3.734 3.960 0.009 0.000 0.211 505 G C -0.436 174.449 174.900 -0.025 0.000 1.077 505 G CA 0.069 45.165 45.100 -0.006 0.000 0.649 505 G HN 0.736 nan 8.290 nan 0.000 0.511 506 D N 1.022 121.411 120.400 -0.018 0.000 2.443 506 D HA 0.406 5.051 4.640 0.009 0.000 0.234 506 D C 0.856 177.085 176.300 -0.119 0.000 1.172 506 D CA 0.174 54.147 54.000 -0.046 0.000 0.878 506 D CB 1.138 41.933 40.800 -0.008 0.000 1.204 506 D HN 0.361 nan 8.370 nan 0.000 0.453 507 V N 1.394 121.242 119.914 -0.109 0.000 2.644 507 V HA 0.484 4.609 4.120 0.009 0.000 0.295 507 V C 0.391 176.373 176.094 -0.187 0.000 1.053 507 V CA -0.437 61.787 62.300 -0.127 0.000 0.987 507 V CB 1.767 33.541 31.823 -0.082 0.000 1.006 507 V HN 0.258 nan 8.190 nan 0.000 0.472 508 V N 4.515 124.311 119.914 -0.196 0.000 2.969 508 V HA 0.457 4.582 4.120 0.009 0.000 0.304 508 V C -0.950 175.058 176.094 -0.144 0.000 1.192 508 V CA -0.529 61.638 62.300 -0.221 0.000 0.962 508 V CB 2.238 33.833 31.823 -0.380 0.000 1.045 508 V HN 0.671 nan 8.190 nan 0.000 0.428 509 I N 3.995 124.497 120.570 -0.113 0.000 2.396 509 I HA 0.521 4.697 4.170 0.009 0.000 0.292 509 I C -0.259 175.820 176.117 -0.064 0.000 0.999 509 I CA -0.030 61.222 61.300 -0.080 0.000 1.310 509 I CB 1.760 39.716 38.000 -0.073 0.000 1.404 509 I HN 0.301 nan 8.210 nan 0.000 0.496 510 V N 7.433 127.318 119.914 -0.049 0.000 2.483 510 V HA 0.442 4.567 4.120 0.009 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 1.625 33.420 31.823 -0.046 0.000 0.995 510 V HN 0.403 nan 8.190 nan 0.000 0.424 511 L N 5.493 126.715 121.223 -0.002 0.000 2.305 511 L HA 0.769 5.114 4.340 0.009 0.000 0.284 511 L C 0.343 177.223 176.870 0.018 0.000 1.013 511 L CA -0.046 54.806 54.840 0.020 0.000 0.819 511 L CB 1.956 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 -0.427 114.145 114.554 0.031 0.000 2.864 512 T HA 0.713 5.068 4.350 0.009 0.000 0.289 512 T C 0.149 174.900 174.700 0.085 0.000 1.082 512 T CA -0.534 61.593 62.100 0.044 0.000 1.009 512 T CB 1.783 70.664 68.868 0.022 0.000 1.234 512 T HN 0.498 nan 8.240 nan 0.000 0.526 513 G N -0.989 107.904 108.800 0.155 0.000 2.563 513 G HA2 0.448 4.414 3.960 0.009 0.000 0.283 513 G HA3 0.448 4.414 3.960 0.009 0.000 0.283 513 G C 0.132 175.140 174.900 0.180 0.000 1.309 513 G CA -0.422 44.691 45.100 0.022 0.000 1.022 513 G HN 1.031 nan 8.290 nan 0.000 0.501 514 W N -0.906 120.347 121.300 -0.079 0.000 2.735 514 W HA 0.402 5.067 4.660 0.008 0.000 0.264 514 W C 0.798 177.108 176.519 -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 29.591 29.460 -0.159 0.000 1.038 514 W HN 0.608 nan 8.180 nan 0.000 0.603 515 R N 1.468 121.222 120.500 -1.242 0.000 2.774 515 R HA 0.478 4.823 4.340 0.009 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 -1.418 0.000 0.906 515 R CB 1.566 31.446 30.300 -0.700 0.000 1.227 515 R HN -0.341 nan 8.270 nan 0.000 0.468 516 P HA 0.007 nan 4.420 nan 0.000 0.264 516 P C 0.218 177.159 177.300 -0.597 0.000 1.183 516 P CA 1.553 64.052 63.100 -1.002 0.000 0.763 516 P CB 0.613 32.112 31.700 -0.334 0.000 0.807 517 G N 1.993 110.569 108.800 -0.374 0.000 2.198 517 G HA2 -0.226 3.739 3.960 0.009 0.000 0.257 517 G HA3 -0.226 3.739 3.960 0.009 0.000 0.257 517 G C 0.325 174.979 174.900 -0.410 0.000 1.042 517 G CA 0.030 44.963 45.100 -0.279 0.000 0.791 517 G HN 0.605 nan 8.290 nan 0.000 0.502 518 S N -0.948 114.345 115.700 -0.677 0.000 2.580 518 S HA 0.430 4.906 4.470 0.009 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 1.141 nan 8.310 nan 0.000 0.555 519 G N -0.045 108.622 108.800 -0.221 0.000 2.430 519 G HA2 0.245 4.210 3.960 0.009 0.000 0.216 519 G HA3 0.245 4.210 3.960 0.009 0.000 0.216 519 G C 0.047 175.160 174.900 0.355 0.000 1.146 519 G CA 0.617 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 5.051 4.527 0.010 0.000 0.311 520 F C -0.369 175.513 175.800 0.136 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 -0.050 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 0.136 4.491 4.350 0.009 0.000 0.283 521 T C 0.572 175.282 174.700 0.017 0.000 0.919 521 T CA -0.169 61.935 62.100 0.006 0.000 1.071 521 T CB -0.452 68.457 68.868 0.068 0.000 0.912 521 T HN 0.800 nan 8.240 nan 0.000 0.570 522 N N 2.203 120.790 118.700 -0.189 0.000 2.398 522 N HA -0.027 4.718 4.740 0.009 0.000 0.188 522 N C -0.465 175.085 175.510 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 -0.271 0.000 0.970 522 N HN 0.488 nan 8.380 nan 0.000 0.462 523 T N 1.586 116.184 114.554 0.074 0.000 2.792 523 T HA 0.421 4.777 4.350 0.009 0.000 0.280 523 T C -0.565 174.168 174.700 0.055 0.000 0.990 523 T CA -0.652 61.492 62.100 0.074 0.000 0.960 523 T CB 2.089 71.013 68.868 0.094 0.000 0.939 523 T HN 0.110 nan 8.240 nan 0.000 0.439 524 M N 4.363 123.987 119.600 0.041 0.000 2.393 524 M HA 0.624 5.109 4.480 0.009 0.000 0.299 524 M C -1.609 174.694 176.300 0.005 0.000 1.103 524 M CA -0.676 54.637 55.300 0.021 0.000 0.910 524 M CB 1.981 34.593 32.600 0.021 0.000 1.659 524 M HN 0.806 nan 8.290 nan 0.000 0.445 525 R N 2.950 123.444 120.500 -0.010 0.000 2.604 525 R HA 0.625 4.970 4.340 0.009 0.000 0.270 525 R C -2.006 174.272 176.300 -0.037 0.000 1.052 525 R CA -0.966 55.123 56.100 -0.020 0.000 0.902 525 R CB 1.347 31.638 30.300 -0.016 0.000 1.233 525 R HN 0.438 nan 8.270 nan 0.000 0.455 526 V N 2.577 122.466 119.914 -0.040 0.000 2.488 526 V HA 0.356 4.481 4.120 0.009 0.000 0.277 526 V C -0.009 176.051 176.094 -0.058 0.000 1.046 526 V CA -0.281 61.986 62.300 -0.054 0.000 0.986 526 V CB 1.203 32.997 31.823 -0.049 0.000 0.989 526 V HN 0.538 nan 8.190 nan 0.000 0.475 527 V N 6.573 126.440 119.914 -0.078 0.000 3.007 527 V HA 0.562 4.687 4.120 0.009 0.000 0.311 527 V C -2.480 173.551 176.094 -0.104 0.000 1.120 527 V CA -1.678 60.574 62.300 -0.080 0.000 0.980 527 V CB 2.778 34.553 31.823 -0.080 0.000 1.033 527 V HN 0.726 nan 8.190 nan 0.000 0.429 528 P HA 0.362 nan 4.420 nan 0.000 0.284 528 P C -0.810 176.423 177.300 -0.111 0.000 1.258 528 P CA -0.397 62.646 63.100 -0.094 0.000 0.824 528 P CB 1.770 33.435 31.700 -0.059 0.000 1.038 529 V N 5.151 124.984 119.914 -0.134 0.000 2.470 529 V HA 0.112 4.237 4.120 0.009 0.000 0.276 529 V C -1.224 174.854 176.094 -0.027 0.000 1.040 529 V CA -1.124 61.105 62.300 -0.118 0.000 1.008 529 V CB 0.157 31.901 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