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 1mez_1_A DATA FIRST_RESID 28 DATA SEQUENCE ATGSRVTVVL GAQWGDEGKG KVVDLLATDA DIVSRCQGGN NAGHTVVVDG DATA SEQUENCE KEYDFHLLPS GIINTKAVSF IGNGVVIHLP GLFEEAEKNE KKGLKDWEKR DATA SEQUENCE LIISDRAHLV FDFHQAVDGL QEVQRQAQEG KNIGTTKKGI GPTYSSKAAR DATA SEQUENCE TGLRICDLLS DFDEFSARFK NLAHQHQSMF PTLEIDVEGQ LKRLKGFAER DATA SEQUENCE IRPMVRDGVY FMYEALHGPP KKVLVEGANA ALLDIDFGTY PFVTSSNCTV DATA SEQUENCE GGVCTGLGIP PQNIGDVYGV VKAYTTRVGI GAFPTEQINE IGDLLQNRGH DATA SEQUENCE EWGVTTGRKR RCGWLDLMIL RYAHMVNGFT ALALTKLDIL DVLSEIKVGI DATA SEQUENCE SYKLNGKRIP YFPANQEILQ KVEVEYETLP GWKADTTGAR KWEDLPPQAQ DATA SEQUENCE SYVRFVENHM GVAVKWVGVG KSRESMIQLF 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 28 A HA 0.000 nan 4.320 nan 0.000 0.244 28 A C 0.000 177.592 177.584 0.014 0.000 1.274 28 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 28 A CB 0.000 19.002 19.000 0.003 0.000 0.831 29 T N -1.247 113.310 114.554 0.006 0.000 2.869 29 T HA 0.389 4.739 4.350 -0.000 0.000 0.270 29 T C 1.641 176.245 174.700 -0.160 0.000 1.082 29 T CA 2.063 64.184 62.100 0.034 0.000 1.123 29 T CB -0.611 68.267 68.868 0.017 0.000 0.856 29 T HN 2.583 nan 8.240 nan 0.000 0.499 30 G N -0.211 108.437 108.800 -0.254 0.000 2.353 30 G HA2 0.209 4.169 3.960 -0.000 0.000 0.615 30 G HA3 0.209 4.169 3.960 -0.000 0.000 0.615 30 G C -0.637 174.087 174.900 -0.293 0.000 1.280 30 G CA -0.447 44.366 45.100 -0.478 0.000 1.000 30 G HN 0.434 nan 8.290 nan 0.000 0.516 31 S N -0.472 115.050 115.700 -0.296 0.000 2.614 31 S HA 0.631 5.101 4.470 -0.000 0.000 0.265 31 S C 0.530 175.037 174.600 -0.154 0.000 1.303 31 S CA -0.103 57.986 58.200 -0.185 0.000 1.000 31 S CB 0.895 63.994 63.200 -0.168 0.000 0.935 31 S HN 0.636 nan 8.310 nan 0.000 0.551 32 R N 0.934 121.373 120.500 -0.102 0.000 2.387 32 R HA 0.452 4.792 4.340 -0.000 0.000 0.314 32 R C -0.372 175.892 176.300 -0.060 0.000 0.958 32 R CA -0.631 55.423 56.100 -0.077 0.000 0.846 32 R CB 1.283 31.546 30.300 -0.062 0.000 1.147 32 R HN 0.532 nan 8.270 nan 0.000 0.447 33 V N 0.049 119.934 119.914 -0.049 0.000 3.003 33 V HA 0.435 4.555 4.120 -0.000 0.000 0.305 33 V C 0.028 176.103 176.094 -0.031 0.000 1.078 33 V CA -0.232 62.050 62.300 -0.029 0.000 1.083 33 V CB 1.588 33.407 31.823 -0.008 0.000 1.039 33 V HN 0.624 nan 8.190 nan 0.000 0.481 34 T N 3.067 117.612 114.554 -0.015 0.000 2.794 34 T HA 0.637 4.987 4.350 -0.000 0.000 0.280 34 T C -0.369 174.324 174.700 -0.012 0.000 0.987 34 T CA -0.282 61.797 62.100 -0.034 0.000 0.993 34 T CB 1.309 70.199 68.868 0.037 0.000 0.939 34 T HN 0.734 nan 8.240 nan 0.000 0.449 35 V N 3.682 123.567 119.914 -0.049 0.000 2.555 35 V HA 0.537 4.657 4.120 -0.000 0.000 0.302 35 V C -0.337 175.794 176.094 0.062 0.000 1.038 35 V CA -0.799 61.510 62.300 0.015 0.000 0.887 35 V CB 2.038 33.873 31.823 0.020 0.000 0.991 35 V HN 0.670 nan 8.190 nan 0.000 0.434 36 V N 6.257 126.222 119.914 0.085 0.000 2.378 36 V HA 0.535 4.655 4.120 -0.000 0.000 0.288 36 V C -0.318 175.819 176.094 0.072 0.000 1.016 36 V CA -0.296 62.060 62.300 0.092 0.000 0.840 36 V CB 1.338 33.178 31.823 0.028 0.000 0.994 36 V HN 0.632 nan 8.190 nan 0.000 0.431 37 L N 3.336 124.620 121.223 0.102 0.000 2.341 37 L HA 0.797 5.137 4.340 -0.000 0.000 0.267 37 L C 0.744 177.657 176.870 0.072 0.000 1.009 37 L CA -0.726 54.191 54.840 0.129 0.000 0.819 37 L CB 2.115 44.337 42.059 0.271 0.000 1.323 37 L HN 0.700 nan 8.230 nan 0.000 0.425 38 G N -0.000 108.844 108.800 0.074 0.000 2.370 38 G HA2 0.457 4.417 3.960 -0.000 0.000 0.272 38 G HA3 0.457 4.417 3.960 -0.000 0.000 0.272 38 G C 0.371 175.325 174.900 0.090 0.000 1.208 38 G CA 0.126 45.248 45.100 0.037 0.000 0.856 38 G HN 0.806 nan 8.290 nan 0.000 0.500 39 A N 1.930 124.772 122.820 0.038 0.000 2.348 39 A HA 0.330 4.650 4.320 -0.000 0.000 0.224 39 A C 1.327 178.895 177.584 -0.027 0.000 1.227 39 A CA 0.555 52.651 52.037 0.098 0.000 0.885 39 A CB 0.258 19.285 19.000 0.044 0.000 0.933 39 A HN 0.668 nan 8.150 nan 0.000 0.506 40 Q N -2.223 117.531 119.800 -0.078 0.000 3.046 40 Q HA 0.264 4.604 4.340 -0.000 0.000 0.211 40 Q C -0.265 175.573 176.000 -0.270 0.000 1.153 40 Q CA -0.543 55.129 55.803 -0.218 0.000 0.326 40 Q CB 0.444 29.144 28.738 -0.063 0.000 5.660 40 Q HN 0.611 nan 8.270 nan 0.000 0.312 41 W N 1.427 122.718 121.300 -0.016 0.000 2.145 41 W HA 0.496 5.156 4.660 -0.000 0.000 0.370 41 W C 0.027 176.542 176.519 -0.007 0.000 0.850 41 W CA 0.577 57.912 57.345 -0.017 0.000 2.615 41 W CB 0.524 29.933 29.460 -0.085 0.000 1.376 41 W HN 0.757 nan 8.180 nan 0.000 0.654 42 G N 1.701 110.597 108.800 0.160 0.000 2.796 42 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.571 42 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.571 42 G C 0.113 175.056 174.900 0.072 0.000 1.370 42 G CA -0.305 44.864 45.100 0.115 0.000 0.856 42 G HN 0.223 nan 8.290 nan 0.000 0.538 43 D N -1.052 119.379 120.400 0.052 0.000 2.811 43 D HA -0.163 4.476 4.640 -0.000 0.000 0.231 43 D C 1.059 177.337 176.300 -0.036 0.000 1.157 43 D CA 1.662 55.670 54.000 0.014 0.000 0.716 43 D CB -0.991 39.826 40.800 0.027 0.000 1.077 43 D HN 0.782 nan 8.370 nan 0.000 0.428 44 E N -0.151 120.017 120.200 -0.053 0.000 2.371 44 E HA 0.276 4.625 4.350 -0.000 0.000 0.194 44 E C 1.757 178.296 176.600 -0.101 0.000 1.012 44 E CA 0.930 57.280 56.400 -0.083 0.000 0.860 44 E CB 0.235 29.891 29.700 -0.074 0.000 0.811 44 E HN 0.516 nan 8.360 nan 0.000 0.502 45 G N 0.583 109.314 108.800 -0.115 0.000 2.157 45 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.118 45 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.118 45 G C 0.659 175.452 174.900 -0.178 0.000 1.032 45 G CA 0.060 45.085 45.100 -0.126 0.000 0.697 45 G HN 0.080 nan 8.290 nan 0.000 0.495 46 K N 0.307 120.558 120.400 -0.248 0.000 2.063 46 K HA 0.038 4.358 4.320 -0.000 0.000 0.208 46 K C 2.717 179.125 176.600 -0.319 0.000 1.048 46 K CA 1.959 58.050 56.287 -0.325 0.000 0.928 46 K CB -0.368 31.843 32.500 -0.482 0.000 0.713 46 K HN 0.436 nan 8.250 nan 0.000 0.442 47 G N 1.191 109.799 108.800 -0.321 0.000 2.440 47 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.218 47 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.218 47 G C 1.417 176.277 174.900 -0.068 0.000 1.154 47 G CA 1.095 46.138 45.100 -0.096 0.000 0.767 47 G HN 0.283 nan 8.290 nan 0.000 0.552 48 K N 0.004 120.345 120.400 -0.098 0.000 2.002 48 K HA -0.052 4.268 4.320 -0.000 0.000 0.209 48 K C 2.565 179.060 176.600 -0.175 0.000 1.048 48 K CA 1.488 57.713 56.287 -0.103 0.000 0.930 48 K CB -0.348 32.091 32.500 -0.102 0.000 0.714 48 K HN 0.158 nan 8.250 nan 0.000 0.438 49 V N 0.874 120.646 119.914 -0.237 0.000 2.343 49 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 49 V C 2.343 178.251 176.094 -0.310 0.000 1.051 49 V CA 1.540 63.620 62.300 -0.366 0.000 1.036 49 V CB -0.140 31.459 31.823 -0.373 0.000 0.654 49 V HN 0.200 nan 8.190 nan 0.000 0.451 50 V N 0.602 120.399 119.914 -0.194 0.000 2.358 50 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 50 V C 2.279 178.308 176.094 -0.107 0.000 1.047 50 V CA 2.402 64.626 62.300 -0.127 0.000 1.035 50 V CB -0.668 31.110 31.823 -0.076 0.000 0.658 50 V HN 0.741 nan 8.190 nan 0.000 0.452 51 D N -0.182 120.165 120.400 -0.089 0.000 2.117 51 D HA -0.220 4.420 4.640 -0.000 0.000 0.197 51 D C 2.011 178.261 176.300 -0.082 0.000 0.987 51 D CA 1.417 55.383 54.000 -0.056 0.000 0.829 51 D CB -0.127 40.670 40.800 -0.006 0.000 0.961 51 D HN 0.272 nan 8.370 nan 0.000 0.460 52 L N 0.205 121.343 121.223 -0.141 0.000 2.046 52 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 52 L C 1.956 178.738 176.870 -0.148 0.000 1.077 52 L CA 1.606 56.347 54.840 -0.166 0.000 0.747 52 L CB -0.479 41.404 42.059 -0.294 0.000 0.896 52 L HN 0.253 nan 8.230 nan 0.000 0.432 53 L N -0.818 120.296 121.223 -0.182 0.000 2.395 53 L HA 0.044 4.384 4.340 -0.000 0.000 0.218 53 L C 2.251 179.098 176.870 -0.037 0.000 1.130 53 L CA 0.629 55.408 54.840 -0.101 0.000 0.826 53 L CB -0.639 41.357 42.059 -0.104 0.000 0.941 53 L HN 0.334 nan 8.230 nan 0.000 0.451 54 A N -0.132 122.659 122.820 -0.048 0.000 2.251 54 A HA -0.040 4.280 4.320 -0.000 0.000 0.209 54 A C 2.267 179.840 177.584 -0.018 0.000 1.187 54 A CA 1.004 53.024 52.037 -0.028 0.000 0.823 54 A CB -0.624 18.350 19.000 -0.042 0.000 0.846 54 A HN 0.470 nan 8.150 nan 0.000 0.486 55 T N -0.271 114.273 114.554 -0.016 0.000 2.665 55 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 55 T C 1.047 175.749 174.700 0.003 0.000 1.035 55 T CA 1.622 63.719 62.100 -0.005 0.000 1.151 55 T CB -0.456 68.413 68.868 0.001 0.000 0.862 55 T HN 0.582 nan 8.240 nan 0.000 0.438 56 D N 1.345 121.750 120.400 0.008 0.000 2.501 56 D HA 0.476 5.116 4.640 -0.000 0.000 0.226 56 D C 0.201 176.507 176.300 0.009 0.000 1.198 56 D CA -0.449 53.558 54.000 0.011 0.000 0.830 56 D CB -0.333 40.477 40.800 0.017 0.000 1.014 56 D HN 0.662 nan 8.370 nan 0.000 0.496 57 A N 0.408 123.232 122.820 0.007 0.000 2.363 57 A HA 0.288 4.608 4.320 -0.000 0.000 0.270 57 A C 0.795 178.382 177.584 0.004 0.000 1.121 57 A CA -0.483 51.558 52.037 0.007 0.000 0.800 57 A CB 0.710 19.714 19.000 0.008 0.000 1.052 57 A HN 0.002 nan 8.150 nan 0.000 0.493 58 D N 0.932 121.331 120.400 -0.001 0.000 2.183 58 D HA 0.106 4.746 4.640 -0.000 0.000 0.205 58 D C 0.197 176.505 176.300 0.014 0.000 0.962 58 D CA 1.490 55.487 54.000 -0.004 0.000 0.849 58 D CB 0.216 41.000 40.800 -0.028 0.000 0.978 58 D HN 0.552 nan 8.370 nan 0.000 0.488 59 I N 0.814 121.396 120.570 0.021 0.000 2.607 59 I HA 0.208 4.378 4.170 -0.000 0.000 0.290 59 I C -1.053 175.105 176.117 0.068 0.000 1.129 59 I CA -0.786 60.553 61.300 0.064 0.000 1.042 59 I CB 3.224 41.268 38.000 0.074 0.000 1.242 59 I HN -0.404 nan 8.210 nan 0.000 0.421 60 V N 4.514 124.476 119.914 0.080 0.000 2.444 60 V HA 0.546 4.666 4.120 -0.000 0.000 0.294 60 V C -0.048 176.108 176.094 0.103 0.000 1.022 60 V CA -0.367 61.968 62.300 0.059 0.000 0.850 60 V CB 1.764 33.588 31.823 0.001 0.000 0.992 60 V HN 0.896 nan 8.190 nan 0.000 0.426 61 S N 4.675 120.450 115.700 0.126 0.000 2.634 61 S HA 0.917 5.387 4.470 -0.000 0.000 0.296 61 S C -0.804 173.846 174.600 0.083 0.000 1.104 61 S CA -1.032 57.267 58.200 0.164 0.000 0.920 61 S CB 2.669 66.080 63.200 0.350 0.000 1.111 61 S HN 0.607 nan 8.310 nan 0.000 0.493 62 R N -0.110 120.407 120.500 0.028 0.000 2.480 62 R HA 0.599 4.939 4.340 -0.000 0.000 0.306 62 R C 0.441 176.737 176.300 -0.007 0.000 0.958 62 R CA -0.374 55.727 56.100 0.002 0.000 0.861 62 R CB 0.708 30.976 30.300 -0.053 0.000 1.171 62 R HN 0.977 nan 8.270 nan 0.000 0.445 63 C N 1.538 120.861 119.300 0.038 0.000 2.689 63 C HA 0.459 4.919 4.460 -0.000 0.000 0.336 63 C C 0.132 175.156 174.990 0.056 0.000 1.304 63 C CA -0.167 58.882 59.018 0.050 0.000 1.860 63 C CB 0.024 27.812 27.740 0.079 0.000 2.405 63 C HN 0.593 nan 8.230 nan 0.000 0.557 64 Q N 0.419 120.259 119.800 0.067 0.000 2.683 64 Q HA 0.572 4.912 4.340 -0.000 0.000 0.302 64 Q C 0.231 176.302 176.000 0.118 0.000 1.042 64 Q CA 0.596 56.461 55.803 0.104 0.000 0.773 64 Q CB 1.192 29.970 28.738 0.068 0.000 1.508 64 Q HN 0.832 nan 8.270 nan 0.000 0.459 65 G N -0.714 108.213 108.800 0.212 0.000 2.752 65 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.234 65 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.234 65 G C -0.026 174.936 174.900 0.103 0.000 1.367 65 G CA -0.038 45.179 45.100 0.196 0.000 0.879 65 G HN 0.917 nan 8.290 nan 0.000 0.563 66 G N -1.552 107.276 108.800 0.045 0.000 3.253 66 G HA2 0.604 4.564 3.960 -0.000 0.000 0.175 66 G HA3 0.604 4.564 3.960 -0.000 0.000 0.175 66 G C 0.707 175.593 174.900 -0.024 0.000 1.098 66 G CA 0.722 45.806 45.100 -0.026 0.000 0.790 66 G HN 1.618 nan 8.290 nan 0.000 0.648 67 N N 0.832 119.518 118.700 -0.022 0.000 2.370 67 N HA -0.014 4.726 4.740 -0.000 0.000 0.198 67 N C 1.166 176.709 175.510 0.055 0.000 1.156 67 N CA 0.717 53.783 53.050 0.026 0.000 0.839 67 N CB -0.250 38.236 38.487 -0.003 0.000 0.989 67 N HN 0.419 nan 8.380 nan 0.000 0.468 68 N N 0.605 119.322 118.700 0.029 0.000 2.396 68 N HA -0.064 4.676 4.740 -0.000 0.000 0.180 68 N C 0.435 175.992 175.510 0.077 0.000 1.028 68 N CA 0.526 53.603 53.050 0.046 0.000 0.893 68 N CB -0.510 38.001 38.487 0.040 0.000 0.967 68 N HN 0.303 nan 8.380 nan 0.000 0.440 69 A N -0.028 122.812 122.820 0.034 0.000 2.407 69 A HA 0.600 4.920 4.320 -0.000 0.000 0.248 69 A C 0.513 178.040 177.584 -0.095 0.000 1.082 69 A CA 0.127 52.130 52.037 -0.055 0.000 0.785 69 A CB 0.101 18.964 19.000 -0.227 0.000 1.020 69 A HN 0.405 nan 8.150 nan 0.000 0.489 70 G N 1.081 109.809 108.800 -0.121 0.000 2.782 70 G HA2 0.549 4.509 3.960 -0.000 0.000 0.280 70 G HA3 0.549 4.509 3.960 -0.000 0.000 0.280 70 G C -1.019 173.889 174.900 0.013 0.000 1.526 70 G CA -0.388 44.581 45.100 -0.219 0.000 1.083 70 G HN 0.847 nan 8.290 nan 0.000 0.552 71 H N 1.545 120.494 119.070 -0.202 0.000 2.511 71 H HA 0.411 4.967 4.556 -0.000 0.000 0.328 71 H C -0.365 174.910 175.328 -0.087 0.000 1.044 71 H CA -0.718 55.282 56.048 -0.080 0.000 1.212 71 H CB 2.026 31.791 29.762 0.006 0.000 1.428 71 H HN 0.328 nan 8.280 nan 0.000 0.483 72 T N 4.038 118.618 114.554 0.042 0.000 2.744 72 T HA 0.274 4.623 4.350 -0.000 0.000 0.291 72 T C 0.061 174.777 174.700 0.027 0.000 0.957 72 T CA -0.588 61.502 62.100 -0.016 0.000 1.002 72 T CB 0.839 69.680 68.868 -0.046 0.000 0.919 72 T HN 0.184 nan 8.240 nan 0.000 0.468 73 V N 4.092 124.043 119.914 0.062 0.000 2.555 73 V HA 0.588 4.708 4.120 -0.000 0.000 0.302 73 V C -0.403 175.775 176.094 0.141 0.000 1.038 73 V CA -0.738 61.650 62.300 0.145 0.000 0.887 73 V CB 2.119 34.128 31.823 0.310 0.000 0.991 73 V HN 0.669 nan 8.190 nan 0.000 0.434 74 V N 4.999 124.972 119.914 0.099 0.000 2.482 74 V HA 0.576 4.696 4.120 -0.000 0.000 0.295 74 V C -0.788 175.354 176.094 0.079 0.000 1.026 74 V CA -0.426 61.909 62.300 0.059 0.000 0.856 74 V CB 1.970 33.798 31.823 0.008 0.000 1.001 74 V HN 0.604 nan 8.190 nan 0.000 0.424 75 V N 3.671 123.650 119.914 0.108 0.000 2.567 75 V HA 0.471 4.591 4.120 -0.000 0.000 0.298 75 V C -0.737 175.405 176.094 0.080 0.000 1.047 75 V CA -0.740 61.622 62.300 0.105 0.000 0.880 75 V CB 1.720 33.636 31.823 0.155 0.000 1.009 75 V HN 0.949 nan 8.190 nan 0.000 0.429 76 D N 4.305 124.732 120.400 0.046 0.000 2.760 76 D HA -0.142 4.498 4.640 -0.000 0.000 0.244 76 D C 1.272 177.576 176.300 0.008 0.000 1.123 76 D CA 2.014 56.033 54.000 0.032 0.000 0.719 76 D CB -1.140 39.688 40.800 0.047 0.000 1.045 76 D HN 1.404 nan 8.370 nan 0.000 0.426 77 G N -0.621 108.174 108.800 -0.008 0.000 3.548 77 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.224 77 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.224 77 G C 0.499 175.350 174.900 -0.081 0.000 1.351 77 G CA 0.781 45.861 45.100 -0.033 0.000 0.905 77 G HN 0.481 nan 8.290 nan 0.000 0.561 78 K N 2.281 122.616 120.400 -0.109 0.000 2.491 78 K HA 0.438 4.758 4.320 -0.000 0.000 0.279 78 K C 0.363 176.727 176.600 -0.394 0.000 1.026 78 K CA 0.590 56.712 56.287 -0.275 0.000 1.070 78 K CB 0.794 33.115 32.500 -0.297 0.000 0.887 78 K HN 0.654 nan 8.250 nan 0.000 0.481 79 E N 2.790 122.712 120.200 -0.463 0.000 2.183 79 E HA 0.315 4.665 4.350 -0.000 0.000 0.271 79 E C -1.158 175.107 176.600 -0.558 0.000 0.919 79 E CA -0.779 55.399 56.400 -0.369 0.000 0.781 79 E CB 0.683 30.270 29.700 -0.188 0.000 1.140 79 E HN 0.417 nan 8.360 nan 0.000 0.402 80 Y N 1.491 121.670 120.300 -0.202 0.000 2.536 80 Y HA 0.301 4.851 4.550 0.000 0.000 0.347 80 Y C -0.545 175.036 175.900 -0.531 0.000 1.000 80 Y CA -1.030 56.809 58.100 -0.435 0.000 1.051 80 Y CB 1.754 39.802 38.460 -0.687 0.000 1.259 80 Y HN 0.407 nan 8.280 nan 0.000 0.468 81 D N 1.352 121.488 120.400 -0.440 0.000 2.473 81 D HA 0.275 4.915 4.640 -0.000 0.000 0.253 81 D C -1.347 174.640 176.300 -0.522 0.000 1.233 81 D CA -0.285 53.491 54.000 -0.372 0.000 0.908 81 D CB 0.741 41.476 40.800 -0.107 0.000 1.170 81 D HN 0.145 nan 8.370 nan 0.000 0.558 82 F N 0.999 120.829 119.950 -0.200 0.000 2.377 82 F HA 0.341 4.868 4.527 0.000 0.000 0.328 82 F C 1.745 177.198 175.800 -0.578 0.000 1.094 82 F CA -0.478 57.380 58.000 -0.237 0.000 1.093 82 F CB 1.295 40.211 39.000 -0.140 0.000 1.214 82 F HN 0.393 nan 8.300 nan 0.000 0.518 83 H N 0.864 119.963 119.070 0.048 0.000 2.348 83 H HA 0.280 4.836 4.556 -0.000 0.000 0.233 83 H C 1.407 176.665 175.328 -0.116 0.000 0.889 83 H CA 0.493 56.494 56.048 -0.079 0.000 1.034 83 H CB 0.833 30.558 29.762 -0.061 0.000 1.393 83 H HN 0.500 nan 8.280 nan 0.000 0.422 84 L N 0.753 121.987 121.223 0.018 0.000 2.547 84 L HA 0.236 4.576 4.340 -0.000 0.000 0.218 84 L C 0.316 177.116 176.870 -0.117 0.000 1.048 84 L CA 0.152 54.947 54.840 -0.076 0.000 0.859 84 L CB 0.758 42.752 42.059 -0.108 0.000 1.128 84 L HN -0.074 nan 8.230 nan 0.000 0.483 85 L N 1.997 123.155 121.223 -0.109 0.000 2.462 85 L HA 0.105 4.445 4.340 -0.000 0.000 0.272 85 L C -2.069 174.640 176.870 -0.269 0.000 1.166 85 L CA -1.659 53.059 54.840 -0.204 0.000 0.880 85 L CB 0.011 41.930 42.059 -0.234 0.000 1.142 85 L HN -0.191 nan 8.230 nan 0.000 0.473 86 P HA 0.027 nan 4.420 nan 0.000 0.268 86 P C 0.275 177.310 177.300 -0.440 0.000 1.205 86 P CA 0.071 63.039 63.100 -0.220 0.000 0.771 86 P CB 0.735 32.354 31.700 -0.135 0.000 0.858 87 S N 1.859 117.380 115.700 -0.299 0.000 2.537 87 S HA -0.071 4.399 4.470 -0.000 0.000 0.240 87 S C 1.855 176.219 174.600 -0.394 0.000 0.981 87 S CA 1.345 59.311 58.200 -0.390 0.000 0.948 87 S CB -0.740 62.477 63.200 0.027 0.000 0.759 87 S HN 0.738 nan 8.310 nan 0.000 0.531 88 G N 0.472 109.097 108.800 -0.292 0.000 3.042 88 G HA2 0.042 4.002 3.960 -0.000 0.000 0.212 88 G HA3 0.042 4.002 3.960 -0.000 0.000 0.212 88 G C 1.005 175.765 174.900 -0.234 0.000 1.166 88 G CA -0.274 44.707 45.100 -0.198 0.000 0.767 88 G HN 0.463 nan 8.290 nan 0.000 0.546 89 I N 0.951 121.284 120.570 -0.395 0.000 2.850 89 I HA -0.031 4.139 4.170 -0.000 0.000 0.266 89 I C 2.164 178.145 176.117 -0.228 0.000 1.257 89 I CA 0.476 61.592 61.300 -0.307 0.000 1.465 89 I CB -0.049 37.694 38.000 -0.429 0.000 1.091 89 I HN 0.211 nan 8.210 nan 0.000 0.467 90 I N -0.198 120.211 120.570 -0.270 0.000 2.333 90 I HA -0.155 4.015 4.170 -0.000 0.000 0.246 90 I C 1.057 177.128 176.117 -0.077 0.000 1.106 90 I CA 0.315 61.508 61.300 -0.179 0.000 1.411 90 I CB -0.498 37.380 38.000 -0.203 0.000 1.082 90 I HN 0.187 nan 8.210 nan 0.000 0.420 91 N N 1.993 120.651 118.700 -0.071 0.000 2.429 91 N HA -0.070 4.670 4.740 -0.000 0.000 0.271 91 N C 1.133 176.638 175.510 -0.010 0.000 1.272 91 N CA 0.552 53.585 53.050 -0.028 0.000 0.921 91 N CB 0.876 39.346 38.487 -0.029 0.000 1.128 91 N HN 0.223 nan 8.380 nan 0.000 0.481 92 T N 0.686 115.246 114.554 0.009 0.000 3.085 92 T HA -0.055 4.295 4.350 -0.000 0.000 0.263 92 T C 1.406 176.118 174.700 0.020 0.000 1.127 92 T CA 0.628 62.742 62.100 0.023 0.000 1.103 92 T CB 0.102 68.989 68.868 0.032 0.000 0.921 92 T HN 0.434 nan 8.240 nan 0.000 0.510 93 K N 1.595 122.003 120.400 0.014 0.000 2.323 93 K HA 0.366 4.686 4.320 -0.000 0.000 0.197 93 K C 0.721 177.329 176.600 0.014 0.000 1.043 93 K CA 0.232 56.527 56.287 0.013 0.000 0.997 93 K CB -0.046 32.460 32.500 0.011 0.000 0.807 93 K HN 0.444 nan 8.250 nan 0.000 0.497 94 A N 1.199 124.026 122.820 0.012 0.000 2.282 94 A HA 0.546 4.866 4.320 -0.000 0.000 0.319 94 A C -0.715 176.887 177.584 0.031 0.000 1.121 94 A CA -0.647 51.400 52.037 0.016 0.000 0.836 94 A CB 1.404 20.407 19.000 0.005 0.000 1.146 94 A HN -0.016 nan 8.150 nan 0.000 0.494 95 V N 1.654 121.601 119.914 0.055 0.000 2.394 95 V HA 0.368 4.488 4.120 -0.000 0.000 0.282 95 V C 0.334 176.489 176.094 0.101 0.000 1.031 95 V CA -0.248 62.106 62.300 0.090 0.000 0.881 95 V CB 1.375 33.287 31.823 0.149 0.000 0.982 95 V HN 0.858 nan 8.190 nan 0.000 0.451 96 S N 5.006 120.753 115.700 0.079 0.000 2.508 96 S HA 0.670 5.140 4.470 -0.000 0.000 0.284 96 S C -0.778 173.901 174.600 0.133 0.000 1.192 96 S CA -0.270 57.969 58.200 0.065 0.000 1.070 96 S CB 0.808 63.997 63.200 -0.019 0.000 1.004 96 S HN 0.550 nan 8.310 nan 0.000 0.493 97 F N 3.264 123.186 119.950 -0.048 0.000 2.547 97 F HA 0.608 5.135 4.527 -0.000 0.000 0.316 97 F C -1.245 174.516 175.800 -0.065 0.000 1.121 97 F CA -1.171 56.775 58.000 -0.091 0.000 0.911 97 F CB 0.837 39.816 39.000 -0.034 0.000 1.179 97 F HN 0.424 nan 8.300 nan 0.000 0.443 98 I N 5.797 125.876 120.570 -0.818 0.000 2.328 98 I HA 0.390 4.560 4.170 -0.000 0.000 0.287 98 I C 0.721 176.237 176.117 -1.001 0.000 1.012 98 I CA -0.636 60.272 61.300 -0.654 0.000 1.195 98 I CB 1.020 38.790 38.000 -0.383 0.000 1.350 98 I HN 0.763 nan 8.210 nan 0.000 0.464 99 G N 4.310 112.703 108.800 -0.680 0.000 2.599 99 G HA2 0.011 3.971 3.960 -0.000 0.000 0.264 99 G HA3 0.011 3.971 3.960 -0.000 0.000 0.264 99 G C 1.009 175.812 174.900 -0.161 0.000 1.200 99 G CA -0.559 44.302 45.100 -0.398 0.000 0.896 99 G HN 0.799 nan 8.290 nan 0.000 0.536 100 N N -0.052 118.642 118.700 -0.011 0.000 2.443 100 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 100 N C 1.804 177.360 175.510 0.077 0.000 1.037 100 N CA 1.191 54.271 53.050 0.049 0.000 0.896 100 N CB -0.151 38.402 38.487 0.110 0.000 0.959 100 N HN 0.504 nan 8.380 nan 0.000 0.442 101 G N 0.825 109.668 108.800 0.072 0.000 2.572 101 G HA2 0.073 4.033 3.960 -0.000 0.000 0.216 101 G HA3 0.073 4.033 3.960 -0.000 0.000 0.216 101 G C 0.633 175.610 174.900 0.129 0.000 1.133 101 G CA -0.101 45.069 45.100 0.116 0.000 0.791 101 G HN 0.175 nan 8.290 nan 0.000 0.538 102 V N 1.078 121.011 119.914 0.033 0.000 2.811 102 V HA 0.313 4.433 4.120 -0.000 0.000 0.302 102 V C 0.466 176.504 176.094 -0.094 0.000 1.063 102 V CA -0.608 61.683 62.300 -0.014 0.000 1.088 102 V CB 1.477 33.250 31.823 -0.084 0.000 0.982 102 V HN 0.214 nan 8.190 nan 0.000 0.485 103 V N 3.379 123.183 119.914 -0.183 0.000 2.384 103 V HA 0.653 4.773 4.120 -0.000 0.000 0.287 103 V C -0.513 175.458 176.094 -0.205 0.000 1.020 103 V CA -0.567 61.553 62.300 -0.299 0.000 0.850 103 V CB 1.212 32.671 31.823 -0.607 0.000 0.987 103 V HN 0.623 nan 8.190 nan 0.000 0.436 104 I N 4.948 125.407 120.570 -0.186 0.000 2.378 104 I HA 0.416 4.586 4.170 -0.000 0.000 0.291 104 I C -0.120 175.908 176.117 -0.148 0.000 0.992 104 I CA -0.465 60.737 61.300 -0.163 0.000 1.154 104 I CB 1.421 39.317 38.000 -0.173 0.000 1.315 104 I HN 0.773 nan 8.210 nan 0.000 0.448 105 H N 7.227 126.170 119.070 -0.212 0.000 2.685 105 H HA 0.292 4.848 4.556 -0.000 0.000 0.286 105 H C 0.652 175.835 175.328 -0.240 0.000 1.102 105 H CA -0.459 55.473 56.048 -0.192 0.000 1.254 105 H CB 1.178 30.851 29.762 -0.147 0.000 1.397 105 H HN 0.708 nan 8.280 nan 0.000 0.473 106 L N 5.763 126.648 121.223 -0.563 0.000 1.997 106 L HA -0.198 4.142 4.340 -0.000 0.000 0.216 106 L C -0.663 175.654 176.870 -0.922 0.000 1.074 106 L CA 1.436 55.820 54.840 -0.760 0.000 0.763 106 L CB -1.567 39.952 42.059 -0.900 0.000 0.890 106 L HN 0.518 nan 8.230 nan 0.000 0.434 107 P HA -0.169 nan 4.420 nan 0.000 0.214 107 P C 1.583 178.836 177.300 -0.079 0.000 1.163 107 P CA 1.921 64.824 63.100 -0.328 0.000 0.889 107 P CB -0.266 31.369 31.700 -0.107 0.000 0.790 108 G N -0.123 108.688 108.800 0.018 0.000 2.442 108 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 108 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 108 G C 1.478 176.333 174.900 -0.076 0.000 1.141 108 G CA 0.698 45.842 45.100 0.074 0.000 0.763 108 G HN 0.213 nan 8.290 nan 0.000 0.554 109 L N -0.191 120.905 121.223 -0.212 0.000 1.989 109 L HA 0.041 4.381 4.340 -0.000 0.000 0.211 109 L C 2.510 179.129 176.870 -0.419 0.000 1.071 109 L CA 1.761 56.375 54.840 -0.377 0.000 0.749 109 L CB -0.760 40.945 42.059 -0.590 0.000 0.890 109 L HN 0.245 nan 8.230 nan 0.000 0.431 110 F N -0.205 119.685 119.950 -0.101 0.000 2.293 110 F HA -0.064 4.463 4.527 -0.000 0.000 0.297 110 F C 2.543 178.338 175.800 -0.009 0.000 1.089 110 F CA 1.175 59.169 58.000 -0.011 0.000 1.377 110 F CB -0.460 38.623 39.000 0.138 0.000 1.051 110 F HN 0.255 nan 8.300 nan 0.000 0.511 111 E N 1.010 121.299 120.200 0.150 0.000 2.097 111 E HA -0.309 4.041 4.350 -0.000 0.000 0.196 111 E C 2.105 178.721 176.600 0.028 0.000 1.000 111 E CA 1.682 58.139 56.400 0.095 0.000 0.804 111 E CB -0.152 29.588 29.700 0.068 0.000 0.740 111 E HN 0.604 nan 8.360 nan 0.000 0.454 112 E N -0.132 120.048 120.200 -0.032 0.000 2.028 112 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 112 E C 2.020 178.557 176.600 -0.106 0.000 0.984 112 E CA 0.971 57.341 56.400 -0.051 0.000 0.800 112 E CB -0.200 29.469 29.700 -0.051 0.000 0.758 112 E HN 0.314 nan 8.360 nan 0.000 0.448 113 A N 1.170 123.834 122.820 -0.260 0.000 1.940 113 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 113 A C 1.920 179.381 177.584 -0.206 0.000 1.176 113 A CA 1.776 53.496 52.037 -0.528 0.000 0.631 113 A CB -0.549 17.751 19.000 -1.165 0.000 0.814 113 A HN 0.375 nan 8.150 nan 0.000 0.446 114 E N -0.576 119.631 120.200 0.012 0.000 2.106 114 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 114 E C 2.052 178.699 176.600 0.077 0.000 0.984 114 E CA 1.165 57.635 56.400 0.116 0.000 0.806 114 E CB -0.124 29.669 29.700 0.155 0.000 0.750 114 E HN 0.680 nan 8.360 nan 0.000 0.458 115 K N 0.940 121.366 120.400 0.043 0.000 2.097 115 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 115 K C 1.623 178.255 176.600 0.055 0.000 1.050 115 K CA 1.043 57.355 56.287 0.042 0.000 0.938 115 K CB 0.129 32.644 32.500 0.025 0.000 0.718 115 K HN 0.021 nan 8.250 nan 0.000 0.442 116 N N 0.777 119.509 118.700 0.053 0.000 2.446 116 N HA -0.079 4.661 4.740 -0.000 0.000 0.179 116 N C 1.197 176.792 175.510 0.142 0.000 1.054 116 N CA 0.623 53.744 53.050 0.118 0.000 0.905 116 N CB 0.255 38.819 38.487 0.130 0.000 0.973 116 N HN 0.353 nan 8.380 nan 0.000 0.448 117 E N 1.394 121.664 120.200 0.118 0.000 2.047 117 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 117 E C 1.559 178.246 176.600 0.146 0.000 0.987 117 E CA 0.987 57.494 56.400 0.178 0.000 0.799 117 E CB 0.132 29.966 29.700 0.223 0.000 0.752 117 E HN 0.272 nan 8.360 nan 0.000 0.449 118 K N 0.645 121.113 120.400 0.113 0.000 2.211 118 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 118 K C 1.676 178.324 176.600 0.080 0.000 1.047 118 K CA 0.974 57.312 56.287 0.085 0.000 0.935 118 K CB -0.034 32.504 32.500 0.062 0.000 0.728 118 K HN 0.008 nan 8.250 nan 0.000 0.452 119 K N -0.561 119.901 120.400 0.102 0.000 2.444 119 K HA 0.033 4.353 4.320 -0.000 0.000 0.193 119 K C 0.904 177.598 176.600 0.157 0.000 1.024 119 K CA 0.544 56.889 56.287 0.097 0.000 1.077 119 K CB 0.754 33.309 32.500 0.092 0.000 0.833 119 K HN 0.391 nan 8.250 nan 0.000 0.517 120 G N 1.165 110.063 108.800 0.163 0.000 2.229 120 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.189 120 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.189 120 G C -0.261 174.752 174.900 0.188 0.000 1.000 120 G CA -0.624 44.575 45.100 0.165 0.000 0.663 120 G HN 0.156 nan 8.290 nan 0.000 0.493 121 L N 2.092 123.446 121.223 0.217 0.000 2.534 121 L HA 0.594 4.934 4.340 -0.000 0.000 0.271 121 L C 0.347 177.388 176.870 0.285 0.000 1.178 121 L CA 0.034 55.008 54.840 0.223 0.000 0.907 121 L CB 0.312 42.484 42.059 0.188 0.000 1.164 121 L HN 0.431 nan 8.230 nan 0.000 0.482 122 K N 2.478 123.026 120.400 0.247 0.000 2.371 122 K HA 0.536 4.856 4.320 -0.000 0.000 0.251 122 K C -0.408 176.278 176.600 0.144 0.000 0.934 122 K CA -0.652 55.756 56.287 0.202 0.000 0.798 122 K CB 1.143 33.716 32.500 0.121 0.000 1.204 122 K HN 0.418 nan 8.250 nan 0.000 0.427 123 D N 1.511 121.922 120.400 0.018 0.000 2.751 123 D HA -0.173 4.467 4.640 -0.000 0.000 0.233 123 D C 0.297 176.536 176.300 -0.102 0.000 1.149 123 D CA 1.143 55.074 54.000 -0.114 0.000 0.682 123 D CB -0.437 40.336 40.800 -0.045 0.000 1.068 123 D HN 0.892 nan 8.370 nan 0.000 0.429 124 W N 1.101 122.419 121.300 0.031 0.000 2.418 124 W HA -0.102 4.558 4.660 -0.000 0.000 0.292 124 W C 1.585 178.113 176.519 0.014 0.000 1.213 124 W CA 1.033 58.386 57.345 0.012 0.000 1.283 124 W CB -0.835 28.631 29.460 0.010 0.000 1.119 124 W HN 0.099 nan 8.180 nan 0.000 0.542 125 E N 1.769 121.417 120.200 -0.920 0.000 2.455 125 E HA -0.219 4.131 4.350 -0.000 0.000 0.202 125 E C 1.435 177.881 176.600 -0.256 0.000 1.045 125 E CA 1.203 57.186 56.400 -0.696 0.000 0.872 125 E CB -0.373 28.710 29.700 -1.027 0.000 0.792 125 E HN 0.206 nan 8.360 nan 0.000 0.542 126 K N 1.505 121.794 120.400 -0.185 0.000 2.262 126 K HA 0.011 4.331 4.320 -0.000 0.000 0.200 126 K C 1.650 178.242 176.600 -0.013 0.000 1.049 126 K CA 0.734 56.971 56.287 -0.084 0.000 0.979 126 K CB 0.261 32.717 32.500 -0.073 0.000 0.773 126 K HN 0.248 nan 8.250 nan 0.000 0.474 127 R N -0.076 120.440 120.500 0.027 0.000 2.662 127 R HA 0.275 4.615 4.340 -0.000 0.000 0.396 127 R C -0.813 175.534 176.300 0.078 0.000 1.096 127 R CA -0.417 55.717 56.100 0.055 0.000 1.081 127 R CB -0.083 30.250 30.300 0.055 0.000 1.382 127 R HN -0.070 nan 8.270 nan 0.000 0.580 128 L N 1.573 122.850 121.223 0.090 0.000 2.325 128 L HA 0.564 4.904 4.340 -0.000 0.000 0.281 128 L C -1.129 175.768 176.870 0.044 0.000 1.004 128 L CA -0.860 54.038 54.840 0.096 0.000 0.823 128 L CB 1.429 43.614 42.059 0.209 0.000 1.236 128 L HN 0.156 nan 8.230 nan 0.000 0.415 129 I N 5.916 126.495 120.570 0.015 0.000 2.441 129 I HA 0.450 4.620 4.170 -0.000 0.000 0.295 129 I C -0.631 175.445 176.117 -0.068 0.000 0.994 129 I CA -0.545 60.739 61.300 -0.028 0.000 1.144 129 I CB 1.912 39.810 38.000 -0.170 0.000 1.314 129 I HN 0.481 nan 8.210 nan 0.000 0.445 130 I N 4.306 124.824 120.570 -0.086 0.000 2.410 130 I HA 0.172 4.342 4.170 -0.000 0.000 0.286 130 I C 0.263 176.313 176.117 -0.112 0.000 1.009 130 I CA -0.468 60.728 61.300 -0.173 0.000 1.111 130 I CB 1.926 39.860 38.000 -0.110 0.000 1.262 130 I HN 0.500 nan 8.210 nan 0.000 0.443 131 S N 4.011 119.578 115.700 -0.222 0.000 2.546 131 S HA -0.054 4.416 4.470 -0.000 0.000 0.290 131 S C 1.205 175.805 174.600 0.000 0.000 1.262 131 S CA -0.396 57.791 58.200 -0.022 0.000 1.083 131 S CB 0.220 63.382 63.200 -0.065 0.000 0.859 131 S HN 0.718 nan 8.310 nan 0.000 0.495 132 D N 4.610 125.044 120.400 0.057 0.000 2.392 132 D HA -0.098 4.542 4.640 -0.000 0.000 0.228 132 D C 1.216 177.536 176.300 0.033 0.000 1.003 132 D CA 0.779 54.803 54.000 0.041 0.000 0.917 132 D CB -0.051 40.786 40.800 0.061 0.000 0.890 132 D HN 0.591 nan 8.370 nan 0.000 0.532 133 R N -0.352 120.175 120.500 0.044 0.000 2.334 133 R HA 0.371 4.711 4.340 -0.000 0.000 0.212 133 R C 0.581 176.905 176.300 0.040 0.000 0.897 133 R CA 0.116 56.243 56.100 0.045 0.000 1.056 133 R CB 0.595 30.948 30.300 0.088 0.000 1.046 133 R HN 0.107 nan 8.270 nan 0.000 0.513 134 A N 1.650 124.477 122.820 0.012 0.000 2.520 134 A HA 0.041 4.361 4.320 -0.000 0.000 0.245 134 A C -0.247 177.338 177.584 0.000 0.000 1.072 134 A CA 0.093 52.136 52.037 0.012 0.000 0.761 134 A CB 0.009 18.969 19.000 -0.067 0.000 1.004 134 A HN 0.235 nan 8.150 nan 0.000 0.499 135 H N 0.781 119.792 119.070 -0.098 0.000 2.671 135 H HA 0.309 4.865 4.556 -0.000 0.000 0.372 135 H C -0.467 174.736 175.328 -0.208 0.000 1.227 135 H CA 0.227 56.199 56.048 -0.127 0.000 1.426 135 H CB 0.749 30.410 29.762 -0.168 0.000 1.480 135 H HN 0.509 nan 8.280 nan 0.000 0.611 136 L N 1.877 122.992 121.223 -0.179 0.000 2.322 136 L HA 0.226 4.566 4.340 -0.000 0.000 0.281 136 L C -0.359 176.123 176.870 -0.647 0.000 1.014 136 L CA -0.821 53.778 54.840 -0.401 0.000 0.815 136 L CB 1.867 43.661 42.059 -0.441 0.000 1.247 136 L HN 0.220 nan 8.230 nan 0.000 0.421 137 V N 3.725 123.383 119.914 -0.426 0.000 2.385 137 V HA 0.280 4.400 4.120 -0.000 0.000 0.269 137 V C -0.097 175.910 176.094 -0.144 0.000 1.043 137 V CA -0.248 61.898 62.300 -0.255 0.000 0.906 137 V CB 0.596 32.339 31.823 -0.133 0.000 0.995 137 V HN 0.329 nan 8.190 nan 0.000 0.467 138 F N 2.169 122.185 119.950 0.111 0.000 2.403 138 F HA 0.389 4.916 4.527 -0.000 0.000 0.326 138 F C 1.453 177.067 175.800 -0.311 0.000 1.081 138 F CA -1.082 56.767 58.000 -0.250 0.000 1.041 138 F CB 0.563 39.038 39.000 -0.876 0.000 1.234 138 F HN 0.426 nan 8.300 nan 0.000 0.503 139 D N 0.991 121.497 120.400 0.177 0.000 2.157 139 D HA -0.275 4.365 4.640 -0.000 0.000 0.191 139 D C 1.979 178.274 176.300 -0.007 0.000 1.004 139 D CA 2.171 56.273 54.000 0.170 0.000 0.854 139 D CB -0.454 40.512 40.800 0.276 0.000 0.936 139 D HN 0.533 nan 8.370 nan 0.000 0.446 140 F N -1.127 118.818 119.950 -0.010 0.000 2.451 140 F HA 0.063 4.590 4.527 -0.000 0.000 0.299 140 F C 2.084 177.779 175.800 -0.176 0.000 1.101 140 F CA 0.825 58.737 58.000 -0.146 0.000 1.436 140 F CB -1.080 37.755 39.000 -0.276 0.000 1.074 140 F HN 0.115 nan 8.300 nan 0.000 0.553 141 H N 0.508 119.286 119.070 -0.487 0.000 2.299 141 H HA -0.093 4.463 4.556 -0.000 0.000 0.302 141 H C 2.099 177.327 175.328 -0.167 0.000 1.078 141 H CA 1.678 57.546 56.048 -0.300 0.000 1.323 141 H CB -0.113 29.438 29.762 -0.352 0.000 1.381 141 H HN 0.360 nan 8.280 nan 0.000 0.498 142 Q N 0.102 119.868 119.800 -0.057 0.000 2.226 142 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 142 Q C 2.473 178.432 176.000 -0.069 0.000 0.975 142 Q CA 0.871 56.613 55.803 -0.102 0.000 0.866 142 Q CB 0.036 28.655 28.738 -0.199 0.000 0.915 142 Q HN 0.469 nan 8.270 nan 0.000 0.440 143 A N 0.579 123.374 122.820 -0.042 0.000 1.872 143 A HA -0.093 4.227 4.320 -0.000 0.000 0.214 143 A C 2.345 179.868 177.584 -0.101 0.000 1.187 143 A CA 1.060 53.074 52.037 -0.038 0.000 0.614 143 A CB -0.590 18.420 19.000 0.017 0.000 0.826 143 A HN 0.189 nan 8.150 nan 0.000 0.442 144 V N 0.846 120.702 119.914 -0.097 0.000 2.407 144 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 144 V C 2.373 178.320 176.094 -0.245 0.000 1.055 144 V CA 2.298 64.439 62.300 -0.264 0.000 1.049 144 V CB -0.805 31.012 31.823 -0.010 0.000 0.662 144 V HN 0.630 nan 8.190 nan 0.000 0.455 145 D N 0.887 121.230 120.400 -0.095 0.000 2.092 145 D HA -0.141 4.499 4.640 -0.000 0.000 0.193 145 D C 2.218 178.473 176.300 -0.076 0.000 0.994 145 D CA 1.859 55.822 54.000 -0.061 0.000 0.828 145 D CB -0.532 40.243 40.800 -0.043 0.000 0.963 145 D HN 0.362 nan 8.370 nan 0.000 0.450 146 G N 0.121 108.871 108.800 -0.083 0.000 2.421 146 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 146 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 146 G C 1.652 176.507 174.900 -0.075 0.000 1.171 146 G CA 0.760 45.823 45.100 -0.062 0.000 0.775 146 G HN 0.290 nan 8.290 nan 0.000 0.543 147 L N 0.559 121.684 121.223 -0.163 0.000 2.083 147 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 147 L C 3.015 179.834 176.870 -0.085 0.000 1.083 147 L CA 1.510 56.239 54.840 -0.184 0.000 0.752 147 L CB -0.791 40.981 42.059 -0.479 0.000 0.899 147 L HN 0.313 nan 8.230 nan 0.000 0.433 148 Q N -1.184 118.522 119.800 -0.156 0.000 2.224 148 Q HA -0.228 4.112 4.340 -0.000 0.000 0.203 148 Q C 2.057 178.111 176.000 0.090 0.000 0.970 148 Q CA 1.184 57.041 55.803 0.091 0.000 0.865 148 Q CB 0.002 28.784 28.738 0.073 0.000 0.922 148 Q HN 0.405 nan 8.270 nan 0.000 0.445 149 E N 0.159 120.381 120.200 0.037 0.000 2.076 149 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 149 E C 1.855 178.488 176.600 0.055 0.000 0.979 149 E CA 0.666 57.092 56.400 0.044 0.000 0.807 149 E CB 0.118 29.832 29.700 0.024 0.000 0.761 149 E HN 0.062 nan 8.360 nan 0.000 0.454 150 V N 0.903 120.848 119.914 0.051 0.000 2.515 150 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 150 V C 2.450 178.592 176.094 0.081 0.000 1.058 150 V CA 2.009 64.343 62.300 0.058 0.000 1.064 150 V CB -0.469 31.385 31.823 0.052 0.000 0.675 150 V HN 0.356 nan 8.190 nan 0.000 0.461 151 Q N 0.086 119.958 119.800 0.119 0.000 2.083 151 Q HA -0.153 4.187 4.340 -0.000 0.000 0.198 151 Q C 2.439 178.497 176.000 0.097 0.000 0.969 151 Q CA 1.336 57.220 55.803 0.135 0.000 0.838 151 Q CB -0.010 28.867 28.738 0.232 0.000 0.900 151 Q HN 0.529 nan 8.270 nan 0.000 0.436 152 R N -0.207 120.350 120.500 0.094 0.000 2.115 152 R HA -0.135 4.205 4.340 -0.000 0.000 0.226 152 R C 2.287 178.627 176.300 0.066 0.000 1.100 152 R CA 1.377 57.522 56.100 0.075 0.000 0.980 152 R CB -0.028 30.316 30.300 0.072 0.000 0.875 152 R HN 0.271 nan 8.270 nan 0.000 0.445 153 Q N 0.806 120.644 119.800 0.063 0.000 2.020 153 Q HA 0.014 4.354 4.340 -0.000 0.000 0.198 153 Q C 1.270 177.297 176.000 0.045 0.000 0.974 153 Q CA 1.705 57.539 55.803 0.052 0.000 0.829 153 Q CB -0.071 28.694 28.738 0.046 0.000 0.894 153 Q HN 0.269 nan 8.270 nan 0.000 0.433 154 A N 0.016 122.864 122.820 0.047 0.000 2.281 154 A HA 0.051 4.371 4.320 -0.000 0.000 0.231 154 A C 1.104 178.711 177.584 0.039 0.000 1.317 154 A CA 0.636 52.697 52.037 0.041 0.000 0.959 154 A CB -0.403 18.623 19.000 0.044 0.000 0.900 154 A HN 0.532 nan 8.150 nan 0.000 0.497 155 Q N -1.694 118.130 119.800 0.040 0.000 1.907 155 Q HA 0.098 4.438 4.340 -0.000 0.000 0.195 155 Q C 0.201 176.222 176.000 0.035 0.000 0.742 155 Q CA 0.388 56.212 55.803 0.035 0.000 0.877 155 Q CB 0.643 29.404 28.738 0.037 0.000 1.216 155 Q HN 0.652 nan 8.270 nan 0.000 0.417 156 E N -1.570 118.655 120.200 0.040 0.000 2.671 156 E HA 0.174 4.524 4.350 -0.000 0.000 0.204 156 E C 0.479 177.105 176.600 0.043 0.000 0.940 156 E CA 0.335 56.761 56.400 0.043 0.000 1.328 156 E CB 1.546 31.279 29.700 0.054 0.000 1.214 156 E HN 0.353 nan 8.360 nan 0.000 0.624 157 G N 2.693 111.516 108.800 0.038 0.000 2.175 157 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.265 157 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.265 157 G C 0.257 175.178 174.900 0.035 0.000 0.979 157 G CA 1.362 46.480 45.100 0.031 0.000 0.663 157 G HN 0.153 nan 8.290 nan 0.000 0.533 158 K N 0.071 120.504 120.400 0.055 0.000 2.565 158 K HA 0.419 4.739 4.320 -0.000 0.000 0.251 158 K C -0.627 176.043 176.600 0.116 0.000 0.956 158 K CA -0.440 55.891 56.287 0.074 0.000 0.809 158 K CB 0.988 33.538 32.500 0.084 0.000 1.267 158 K HN 0.279 nan 8.250 nan 0.000 0.438 159 N N 3.731 122.503 118.700 0.121 0.000 2.890 159 N HA 0.297 5.037 4.740 -0.000 0.000 0.317 159 N C 0.895 176.542 175.510 0.227 0.000 1.355 159 N CA -0.810 52.324 53.050 0.139 0.000 0.803 159 N CB 0.307 38.845 38.487 0.086 0.000 1.465 159 N HN 0.340 nan 8.380 nan 0.000 0.591 160 I N -0.831 119.852 120.570 0.188 0.000 2.315 160 I HA 0.045 4.215 4.170 -0.000 0.000 0.248 160 I C 1.352 177.585 176.117 0.192 0.000 1.117 160 I CA 1.846 63.295 61.300 0.248 0.000 1.404 160 I CB -1.826 36.227 38.000 0.088 0.000 1.071 160 I HN 0.949 nan 8.210 nan 0.000 0.419 161 G N 0.966 109.828 108.800 0.103 0.000 2.134 161 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.209 161 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.209 161 G C 0.467 175.399 174.900 0.052 0.000 0.993 161 G CA 0.296 45.432 45.100 0.060 0.000 0.669 161 G HN 0.318 nan 8.290 nan 0.000 0.519 162 T N 1.082 115.668 114.554 0.052 0.000 2.906 162 T HA 0.297 4.647 4.350 -0.000 0.000 0.329 162 T C 2.077 176.795 174.700 0.029 0.000 1.091 162 T CA 1.294 63.417 62.100 0.039 0.000 1.127 162 T CB 0.775 69.659 68.868 0.027 0.000 1.035 162 T HN 0.957 nan 8.240 nan 0.000 0.547 163 T N -0.535 114.035 114.554 0.026 0.000 3.118 163 T HA 0.082 4.432 4.350 -0.000 0.000 0.260 163 T C 0.743 175.440 174.700 -0.006 0.000 1.139 163 T CA -0.042 62.069 62.100 0.018 0.000 1.085 163 T CB -0.397 68.486 68.868 0.026 0.000 0.934 163 T HN 0.778 nan 8.240 nan 0.000 0.518 164 K N 0.096 120.488 120.400 -0.013 0.000 3.192 164 K HA -0.120 4.200 4.320 -0.000 0.000 0.278 164 K C 0.203 176.763 176.600 -0.067 0.000 1.164 164 K CA 0.484 56.751 56.287 -0.035 0.000 0.816 164 K CB -0.794 31.688 32.500 -0.030 0.000 1.256 164 K HN 0.237 nan 8.250 nan 0.000 0.497 165 K N -0.170 120.188 120.400 -0.070 0.000 2.397 165 K HA 0.111 4.431 4.320 -0.000 0.000 0.202 165 K C 1.180 177.694 176.600 -0.142 0.000 1.022 165 K CA 0.856 57.071 56.287 -0.120 0.000 1.141 165 K CB 0.845 33.290 32.500 -0.092 0.000 0.857 165 K HN 0.538 nan 8.250 nan 0.000 0.514 166 G N 1.898 110.636 108.800 -0.104 0.000 2.155 166 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 166 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 166 G C 0.956 175.781 174.900 -0.126 0.000 0.983 166 G CA 0.307 45.347 45.100 -0.100 0.000 0.676 166 G HN 0.245 nan 8.290 nan 0.000 0.528 167 I N 1.138 121.663 120.570 -0.076 0.000 2.127 167 I HA -0.101 4.069 4.170 -0.000 0.000 0.241 167 I C 2.988 179.126 176.117 0.035 0.000 1.075 167 I CA 2.147 63.428 61.300 -0.032 0.000 1.334 167 I CB -1.734 36.306 38.000 0.068 0.000 1.040 167 I HN 0.265 nan 8.210 nan 0.000 0.405 168 G N 1.825 110.656 108.800 0.051 0.000 2.459 168 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 168 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 168 G C -0.400 174.525 174.900 0.041 0.000 1.183 168 G CA 0.668 45.813 45.100 0.074 0.000 0.776 168 G HN 0.308 nan 8.290 nan 0.000 0.552 169 P HA -0.037 nan 4.420 nan 0.000 0.216 169 P C 2.025 179.205 177.300 -0.199 0.000 1.150 169 P CA 1.709 64.832 63.100 0.038 0.000 0.837 169 P CB -0.171 31.617 31.700 0.146 0.000 0.786 170 T N -1.991 112.244 114.554 -0.532 0.000 2.777 170 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 170 T C 1.479 175.947 174.700 -0.386 0.000 1.040 170 T CA 1.233 62.871 62.100 -0.771 0.000 1.141 170 T CB -0.972 67.437 68.868 -0.765 0.000 0.868 170 T HN 0.048 nan 8.240 nan 0.000 0.444 171 Y N 1.119 121.298 120.300 -0.202 0.000 2.293 171 Y HA 0.007 4.557 4.550 -0.000 0.000 0.291 171 Y C 2.966 178.804 175.900 -0.103 0.000 1.137 171 Y CA 0.446 58.452 58.100 -0.157 0.000 1.202 171 Y CB -0.496 37.898 38.460 -0.110 0.000 0.990 171 Y HN 0.163 nan 8.280 nan 0.000 0.537 172 S N -1.330 114.423 115.700 0.090 0.000 2.387 172 S HA -0.144 4.326 4.470 -0.000 0.000 0.226 172 S C 2.327 176.978 174.600 0.085 0.000 1.026 172 S CA 1.417 59.668 58.200 0.084 0.000 0.972 172 S CB -0.325 62.931 63.200 0.094 0.000 0.814 172 S HN 0.391 nan 8.310 nan 0.000 0.477 173 S N 0.997 116.756 115.700 0.098 0.000 2.383 173 S HA -0.032 4.438 4.470 -0.000 0.000 0.227 173 S C 1.797 176.477 174.600 0.134 0.000 1.026 173 S CA 1.183 59.490 58.200 0.178 0.000 0.981 173 S CB -0.260 63.147 63.200 0.344 0.000 0.818 173 S HN 0.607 nan 8.310 nan 0.000 0.472 174 K N 1.632 122.043 120.400 0.019 0.000 2.002 174 K HA -0.076 4.244 4.320 -0.000 0.000 0.209 174 K C 2.183 178.784 176.600 0.003 0.000 1.048 174 K CA 1.354 57.574 56.287 -0.111 0.000 0.930 174 K CB -0.425 31.738 32.500 -0.561 0.000 0.714 174 K HN 0.265 nan 8.250 nan 0.000 0.438 175 A N 0.816 123.645 122.820 0.015 0.000 1.978 175 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 175 A C 2.223 179.838 177.584 0.053 0.000 1.170 175 A CA 1.837 53.894 52.037 0.033 0.000 0.636 175 A CB -0.707 18.311 19.000 0.030 0.000 0.810 175 A HN 0.522 nan 8.150 nan 0.000 0.448 176 A N -1.624 121.237 122.820 0.068 0.000 2.167 176 A HA 0.228 4.548 4.320 -0.000 0.000 0.214 176 A C 1.277 178.914 177.584 0.089 0.000 1.151 176 A CA 0.994 53.074 52.037 0.071 0.000 0.735 176 A CB -0.212 18.832 19.000 0.074 0.000 0.802 176 A HN 0.527 nan 8.150 nan 0.000 0.467 177 R N -2.278 118.293 120.500 0.118 0.000 3.951 177 R HA -0.156 4.184 4.340 -0.000 0.000 0.352 177 R C 1.088 177.478 176.300 0.150 0.000 1.178 177 R CA 1.421 57.607 56.100 0.143 0.000 0.949 177 R CB -3.026 27.335 30.300 0.103 0.000 1.452 177 R HN 0.703 nan 8.270 nan 0.000 0.540 178 T N -3.836 110.816 114.554 0.164 0.000 3.057 178 T HA 0.217 4.567 4.350 -0.000 0.000 0.254 178 T C 1.316 176.158 174.700 0.236 0.000 1.094 178 T CA 0.265 62.465 62.100 0.167 0.000 1.088 178 T CB 0.307 69.268 68.868 0.154 0.000 0.934 178 T HN 0.435 nan 8.240 nan 0.000 0.497 179 G N 1.227 110.208 108.800 0.301 0.000 2.699 179 G HA2 0.520 4.480 3.960 -0.000 0.000 0.246 179 G HA3 0.520 4.480 3.960 -0.000 0.000 0.246 179 G C -0.688 174.378 174.900 0.278 0.000 1.219 179 G CA -0.591 44.738 45.100 0.381 0.000 0.866 179 G HN 0.486 nan 8.290 nan 0.000 0.572 180 L N -0.403 120.997 121.223 0.296 0.000 2.341 180 L HA 0.645 4.985 4.340 -0.000 0.000 0.267 180 L C 0.388 177.281 176.870 0.038 0.000 1.009 180 L CA -0.930 54.061 54.840 0.250 0.000 0.819 180 L CB 2.227 44.638 42.059 0.587 0.000 1.323 180 L HN 0.530 nan 8.230 nan 0.000 0.425 181 R N 0.759 121.264 120.500 0.009 0.000 2.919 181 R HA 0.478 4.818 4.340 -0.000 0.000 0.260 181 R C 0.630 176.943 176.300 0.022 0.000 1.067 181 R CA -1.102 54.941 56.100 -0.095 0.000 1.003 181 R CB 1.420 31.590 30.300 -0.217 0.000 1.192 181 R HN 0.385 nan 8.270 nan 0.000 0.488 182 I N 1.197 121.758 120.570 -0.016 0.000 2.113 182 I HA -0.370 3.800 4.170 -0.000 0.000 0.242 182 I C 2.669 178.791 176.117 0.008 0.000 1.064 182 I CA 1.825 63.122 61.300 -0.004 0.000 1.320 182 I CB -1.378 36.613 38.000 -0.015 0.000 1.028 182 I HN 0.843 nan 8.210 nan 0.000 0.406 183 C N 0.315 119.627 119.300 0.019 0.000 2.410 183 C HA -0.138 4.322 4.460 -0.000 0.000 0.281 183 C C 2.204 177.221 174.990 0.045 0.000 1.318 183 C CA 0.476 59.513 59.018 0.032 0.000 1.776 183 C CB -1.342 26.422 27.740 0.039 0.000 1.942 183 C HN 0.457 nan 8.230 nan 0.000 0.508 184 D N 0.855 121.299 120.400 0.074 0.000 2.149 184 D HA -0.034 4.606 4.640 -0.000 0.000 0.201 184 D C 2.199 178.527 176.300 0.048 0.000 0.972 184 D CA 0.838 54.929 54.000 0.152 0.000 0.835 184 D CB -0.443 40.540 40.800 0.305 0.000 0.966 184 D HN 0.549 nan 8.370 nan 0.000 0.476 185 L N 0.214 121.346 121.223 -0.151 0.000 2.056 185 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 185 L C 1.730 178.488 176.870 -0.186 0.000 1.078 185 L CA 0.751 55.275 54.840 -0.527 0.000 0.749 185 L CB 0.044 41.878 42.059 -0.374 0.000 0.901 185 L HN -0.001 nan 8.230 nan 0.000 0.433 186 L N -0.854 120.336 121.223 -0.055 0.000 2.552 186 L HA 0.018 4.358 4.340 -0.000 0.000 0.227 186 L C 1.614 178.504 176.870 0.033 0.000 1.146 186 L CA 0.639 55.482 54.840 0.006 0.000 0.858 186 L CB -0.468 41.603 42.059 0.019 0.000 0.969 186 L HN 0.122 nan 8.230 nan 0.000 0.451 187 S N -1.285 114.439 115.700 0.041 0.000 2.448 187 S HA 0.117 4.587 4.470 -0.000 0.000 0.271 187 S C -0.256 174.403 174.600 0.098 0.000 1.145 187 S CA -0.691 57.548 58.200 0.066 0.000 1.022 187 S CB 0.479 63.721 63.200 0.071 0.000 1.202 187 S HN 0.274 nan 8.310 nan 0.000 0.479 188 D N 0.671 121.132 120.400 0.102 0.000 2.455 188 D HA -0.014 4.626 4.640 -0.000 0.000 0.265 188 D C 0.637 177.040 176.300 0.170 0.000 1.284 188 D CA 0.328 54.404 54.000 0.125 0.000 0.944 188 D CB -0.249 40.609 40.800 0.098 0.000 1.121 188 D HN 0.410 nan 8.370 nan 0.000 0.525 189 F N 3.251 123.241 119.950 0.067 0.000 2.171 189 F HA -0.158 4.369 4.527 0.000 0.000 0.300 189 F C 1.711 177.604 175.800 0.154 0.000 1.090 189 F CA 1.340 59.399 58.000 0.098 0.000 1.293 189 F CB 0.127 39.146 39.000 0.032 0.000 1.013 189 F HN 0.399 nan 8.300 nan 0.000 0.486 190 D N 0.135 120.668 120.400 0.222 0.000 2.123 190 D HA -0.216 4.424 4.640 -0.000 0.000 0.196 190 D C 2.091 178.419 176.300 0.047 0.000 0.992 190 D CA 1.530 55.608 54.000 0.130 0.000 0.833 190 D CB -0.442 40.431 40.800 0.121 0.000 0.954 190 D HN 0.387 nan 8.370 nan 0.000 0.455 191 E N 0.127 120.366 120.200 0.065 0.000 2.031 191 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 191 E C 1.941 178.558 176.600 0.028 0.000 0.994 191 E CA 0.805 57.235 56.400 0.051 0.000 0.800 191 E CB -0.613 29.133 29.700 0.076 0.000 0.752 191 E HN 0.240 nan 8.360 nan 0.000 0.447 192 F N 1.073 120.944 119.950 -0.132 0.000 2.063 192 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 192 F C 2.373 178.049 175.800 -0.207 0.000 1.109 192 F CA 2.233 60.124 58.000 -0.182 0.000 1.212 192 F CB -0.825 37.977 39.000 -0.330 0.000 0.973 192 F HN 0.012 nan 8.300 nan 0.000 0.480 193 S N 0.515 116.039 115.700 -0.294 0.000 2.387 193 S HA -0.276 4.194 4.470 -0.000 0.000 0.230 193 S C 2.272 176.786 174.600 -0.143 0.000 1.035 193 S CA 1.240 59.272 58.200 -0.279 0.000 1.014 193 S CB -1.038 62.061 63.200 -0.168 0.000 0.836 193 S HN 0.602 nan 8.310 nan 0.000 0.466 194 A N 1.560 124.322 122.820 -0.097 0.000 1.933 194 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 194 A C 2.183 179.723 177.584 -0.075 0.000 1.175 194 A CA 1.354 53.361 52.037 -0.049 0.000 0.628 194 A CB -0.371 18.616 19.000 -0.021 0.000 0.814 194 A HN 0.453 nan 8.150 nan 0.000 0.444 195 R N -2.024 118.392 120.500 -0.140 0.000 2.062 195 R HA 0.033 4.373 4.340 -0.000 0.000 0.226 195 R C 1.973 178.142 176.300 -0.217 0.000 1.125 195 R CA 1.256 57.268 56.100 -0.147 0.000 0.966 195 R CB -0.563 29.646 30.300 -0.152 0.000 0.861 195 R HN 0.519 nan 8.270 nan 0.000 0.433 196 F N 2.534 122.144 119.950 -0.567 0.000 2.087 196 F HA -0.301 4.226 4.527 -0.000 0.000 0.299 196 F C 1.799 177.380 175.800 -0.365 0.000 1.100 196 F CA 1.774 59.401 58.000 -0.621 0.000 1.226 196 F CB 0.014 38.543 39.000 -0.785 0.000 0.983 196 F HN -0.147 nan 8.300 nan 0.000 0.479 197 K N 0.022 120.360 120.400 -0.103 0.000 2.057 197 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 197 K C 1.843 178.395 176.600 -0.080 0.000 1.049 197 K CA 1.868 58.091 56.287 -0.107 0.000 0.931 197 K CB -0.594 31.943 32.500 0.061 0.000 0.714 197 K HN 0.477 nan 8.250 nan 0.000 0.440 198 N N 0.851 119.529 118.700 -0.036 0.000 2.166 198 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 198 N C 1.780 177.261 175.510 -0.048 0.000 1.019 198 N CA 0.511 53.568 53.050 0.011 0.000 0.856 198 N CB -0.036 38.445 38.487 -0.010 0.000 0.993 198 N HN 0.012 nan 8.380 nan 0.000 0.426 199 L N 1.259 122.397 121.223 -0.143 0.000 2.072 199 L HA 0.043 4.383 4.340 -0.000 0.000 0.205 199 L C 2.210 178.896 176.870 -0.306 0.000 1.079 199 L CA 1.163 55.957 54.840 -0.076 0.000 0.752 199 L CB -0.699 41.377 42.059 0.028 0.000 0.906 199 L HN 0.040 nan 8.230 nan 0.000 0.436 200 A N -1.171 121.159 122.820 -0.818 0.000 1.883 200 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 200 A C 2.239 179.418 177.584 -0.674 0.000 1.186 200 A CA 1.840 53.100 52.037 -1.295 0.000 0.624 200 A CB -0.985 17.301 19.000 -1.190 0.000 0.822 200 A HN 0.637 nan 8.150 nan 0.000 0.444 201 H N -0.350 118.527 119.070 -0.322 0.000 2.321 201 H HA -0.142 4.414 4.556 0.000 0.000 0.300 201 H C 2.282 177.540 175.328 -0.117 0.000 1.087 201 H CA 1.901 57.843 56.048 -0.175 0.000 1.319 201 H CB -0.506 29.180 29.762 -0.127 0.000 1.379 201 H HN 0.673 nan 8.280 nan 0.000 0.501 202 Q N -0.147 119.663 119.800 0.017 0.000 2.173 202 Q HA -0.222 4.118 4.340 -0.000 0.000 0.208 202 Q C 2.130 178.087 176.000 -0.071 0.000 0.989 202 Q CA 1.793 57.578 55.803 -0.029 0.000 0.872 202 Q CB -0.188 28.520 28.738 -0.049 0.000 0.909 202 Q HN 0.646 nan 8.270 nan 0.000 0.420 203 H N -0.100 118.926 119.070 -0.074 0.000 2.333 203 H HA -0.040 4.516 4.556 0.000 0.000 0.302 203 H C 1.986 177.352 175.328 0.062 0.000 1.075 203 H CA 1.206 57.267 56.048 0.021 0.000 1.348 203 H CB 0.055 29.795 29.762 -0.037 0.000 1.393 203 H HN 0.230 nan 8.280 nan 0.000 0.509 204 Q N -0.227 119.619 119.800 0.077 0.000 2.234 204 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 204 Q C 2.416 178.463 176.000 0.078 0.000 0.980 204 Q CA 1.361 57.208 55.803 0.074 0.000 0.869 204 Q CB -0.057 28.679 28.738 -0.003 0.000 0.912 204 Q HN 0.322 nan 8.270 nan 0.000 0.436 205 S N 0.915 116.645 115.700 0.049 0.000 2.356 205 S HA -0.164 4.306 4.470 -0.000 0.000 0.223 205 S C 1.919 176.508 174.600 -0.019 0.000 1.032 205 S CA 1.501 59.709 58.200 0.013 0.000 1.005 205 S CB -0.059 63.139 63.200 -0.005 0.000 0.867 205 S HN 0.468 nan 8.310 nan 0.000 0.449 206 M N -1.531 118.061 119.600 -0.013 0.000 2.558 206 M HA 0.314 4.794 4.480 -0.000 0.000 0.255 206 M C -0.432 175.648 176.300 -0.366 0.000 1.113 206 M CA 0.810 56.027 55.300 -0.138 0.000 1.097 206 M CB -0.084 32.476 32.600 -0.067 0.000 1.426 206 M HN 0.203 nan 8.290 nan 0.000 0.488 207 F N 1.954 121.921 119.950 0.027 0.000 2.794 207 F HA 0.384 4.911 4.527 0.000 0.000 0.353 207 F C -1.902 173.914 175.800 0.027 0.000 1.371 207 F CA -2.164 55.858 58.000 0.037 0.000 1.173 207 F CB 0.911 39.950 39.000 0.065 0.000 1.693 207 F HN -0.127 nan 8.300 nan 0.000 0.606 208 P HA -0.169 nan 4.420 nan 0.000 0.220 208 P C 1.122 178.475 177.300 0.088 0.000 1.144 208 P CA 1.474 64.617 63.100 0.072 0.000 0.800 208 P CB -0.140 31.576 31.700 0.027 0.000 0.772 209 T N -3.535 111.094 114.554 0.127 0.000 3.272 209 T HA 0.222 4.572 4.350 -0.000 0.000 0.250 209 T C 0.624 175.390 174.700 0.110 0.000 1.082 209 T CA -0.396 61.770 62.100 0.109 0.000 0.968 209 T CB -0.581 68.358 68.868 0.117 0.000 1.015 209 T HN 0.026 nan 8.240 nan 0.000 0.563 210 L N 1.983 123.278 121.223 0.119 0.000 2.275 210 L HA 0.453 4.793 4.340 -0.000 0.000 0.288 210 L C -0.665 176.231 176.870 0.044 0.000 1.046 210 L CA -0.663 54.227 54.840 0.084 0.000 0.805 210 L CB 1.159 43.281 42.059 0.105 0.000 1.193 210 L HN 0.263 nan 8.230 nan 0.000 0.426 211 E N 6.585 126.807 120.200 0.037 0.000 2.134 211 E HA 0.456 4.806 4.350 -0.000 0.000 0.278 211 E C -1.056 175.559 176.600 0.025 0.000 0.959 211 E CA -0.284 56.132 56.400 0.027 0.000 0.783 211 E CB 1.964 31.685 29.700 0.035 0.000 1.095 211 E HN 0.479 nan 8.360 nan 0.000 0.399 212 I N 2.202 122.769 120.570 -0.004 0.000 2.468 212 I HA 0.128 4.298 4.170 -0.000 0.000 0.284 212 I C -0.564 175.567 176.117 0.022 0.000 1.038 212 I CA -0.882 60.420 61.300 0.003 0.000 1.083 212 I CB 1.590 39.516 38.000 -0.123 0.000 1.223 212 I HN 0.431 nan 8.210 nan 0.000 0.443 213 D N 6.456 126.902 120.400 0.076 0.000 2.551 213 D HA 0.128 4.768 4.640 -0.000 0.000 0.223 213 D C 1.132 177.500 176.300 0.113 0.000 1.144 213 D CA -0.047 53.998 54.000 0.076 0.000 1.025 213 D CB 0.748 41.594 40.800 0.076 0.000 1.085 213 D HN 0.297 nan 8.370 nan 0.000 0.506 214 V N 3.158 123.131 119.914 0.098 0.000 2.233 214 V HA -0.297 3.823 4.120 -0.000 0.000 0.252 214 V C 2.253 178.417 176.094 0.116 0.000 1.063 214 V CA 1.791 64.192 62.300 0.169 0.000 1.032 214 V CB -0.346 31.523 31.823 0.077 0.000 0.645 214 V HN 0.487 nan 8.190 nan 0.000 0.446 215 E N 0.397 120.636 120.200 0.065 0.000 2.150 215 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 215 E C 2.287 178.901 176.600 0.024 0.000 0.985 215 E CA 1.327 57.750 56.400 0.039 0.000 0.814 215 E CB -0.766 28.956 29.700 0.036 0.000 0.752 215 E HN 0.655 nan 8.360 nan 0.000 0.466 216 G N 1.234 110.058 108.800 0.039 0.000 2.414 216 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.215 216 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.215 216 G C 1.538 176.459 174.900 0.035 0.000 1.188 216 G CA 0.459 45.580 45.100 0.034 0.000 0.783 216 G HN 0.247 nan 8.290 nan 0.000 0.537 217 Q N -0.234 119.610 119.800 0.073 0.000 2.181 217 Q HA 0.061 4.401 4.340 -0.000 0.000 0.205 217 Q C 2.595 178.563 176.000 -0.053 0.000 0.980 217 Q CA 0.664 56.522 55.803 0.092 0.000 0.862 217 Q CB -0.221 28.678 28.738 0.269 0.000 0.905 217 Q HN 0.410 nan 8.270 nan 0.000 0.429 218 L N 0.206 121.320 121.223 -0.181 0.000 2.201 218 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 218 L C 2.208 179.112 176.870 0.057 0.000 1.105 218 L CA 0.739 55.482 54.840 -0.162 0.000 0.775 218 L CB -0.102 41.868 42.059 -0.148 0.000 0.913 218 L HN 0.077 nan 8.230 nan 0.000 0.440 219 K N 0.150 120.542 120.400 -0.013 0.000 2.057 219 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 219 K C 2.119 178.640 176.600 -0.131 0.000 1.050 219 K CA 1.207 57.452 56.287 -0.070 0.000 0.935 219 K CB 0.004 32.462 32.500 -0.070 0.000 0.715 219 K HN -0.034 nan 8.250 nan 0.000 0.439 220 R N 0.068 120.500 120.500 -0.114 0.000 2.066 220 R HA 0.050 4.390 4.340 -0.000 0.000 0.232 220 R C 2.138 178.292 176.300 -0.244 0.000 1.131 220 R CA 1.071 57.005 56.100 -0.278 0.000 0.955 220 R CB -0.622 29.613 30.300 -0.110 0.000 0.851 220 R HN 0.129 nan 8.270 nan 0.000 0.432 221 L N 0.547 121.840 121.223 0.117 0.000 2.127 221 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 221 L C 2.403 179.394 176.870 0.202 0.000 1.089 221 L CA 1.409 56.436 54.840 0.311 0.000 0.757 221 L CB -0.353 41.883 42.059 0.294 0.000 0.899 221 L HN 0.204 nan 8.230 nan 0.000 0.434 222 K N 0.027 120.460 120.400 0.055 0.000 2.155 222 K HA -0.098 4.222 4.320 -0.000 0.000 0.203 222 K C 2.042 178.512 176.600 -0.217 0.000 1.052 222 K CA 1.122 57.269 56.287 -0.232 0.000 0.948 222 K CB -0.127 31.935 32.500 -0.730 0.000 0.728 222 K HN 0.303 nan 8.250 nan 0.000 0.448 223 G N 0.377 109.019 108.800 -0.264 0.000 2.394 223 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.215 223 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.215 223 G C 1.134 175.893 174.900 -0.235 0.000 1.165 223 G CA 0.355 45.265 45.100 -0.318 0.000 0.784 223 G HN 0.207 nan 8.290 nan 0.000 0.535 224 F N 2.013 121.929 119.950 -0.056 0.000 2.171 224 F HA 0.070 4.597 4.527 -0.000 0.000 0.300 224 F C 3.012 178.832 175.800 0.034 0.000 1.090 224 F CA 0.359 58.361 58.000 0.004 0.000 1.293 224 F CB -0.801 38.267 39.000 0.113 0.000 1.013 224 F HN 0.246 nan 8.300 nan 0.000 0.486 225 A N 0.321 123.249 122.820 0.180 0.000 1.884 225 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 225 A C 2.164 179.785 177.584 0.062 0.000 1.197 225 A CA 2.082 54.175 52.037 0.094 0.000 0.637 225 A CB -0.682 18.343 19.000 0.040 0.000 0.827 225 A HN 0.310 nan 8.150 nan 0.000 0.450 226 E N -0.255 119.950 120.200 0.008 0.000 2.274 226 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 226 E C 2.047 178.654 176.600 0.013 0.000 0.996 226 E CA 0.706 57.100 56.400 -0.010 0.000 0.840 226 E CB -0.366 29.299 29.700 -0.058 0.000 0.772 226 E HN 0.663 nan 8.360 nan 0.000 0.491 227 R N 0.026 120.550 120.500 0.039 0.000 2.119 227 R HA 0.085 4.425 4.340 -0.000 0.000 0.222 227 R C 2.054 178.488 176.300 0.222 0.000 1.088 227 R CA 0.549 56.683 56.100 0.057 0.000 0.984 227 R CB 0.102 30.340 30.300 -0.103 0.000 0.884 227 R HN 0.118 nan 8.270 nan 0.000 0.447 228 I N 0.309 121.038 120.570 0.265 0.000 2.585 228 I HA -0.093 4.077 4.170 -0.000 0.000 0.254 228 I C 2.351 178.541 176.117 0.121 0.000 1.129 228 I CA 0.613 62.057 61.300 0.241 0.000 1.455 228 I CB -0.796 37.328 38.000 0.207 0.000 1.111 228 I HN 0.133 nan 8.210 nan 0.000 0.433 229 R N 1.978 122.530 120.500 0.087 0.000 2.234 229 R HA -0.228 4.112 4.340 -0.000 0.000 0.241 229 R C -0.477 175.849 176.300 0.043 0.000 1.115 229 R CA 3.204 59.335 56.100 0.052 0.000 0.913 229 R CB -1.541 28.780 30.300 0.034 0.000 0.911 229 R HN 0.213 nan 8.270 nan 0.000 0.430 230 P HA -0.200 nan 4.420 nan 0.000 0.218 230 P C 1.059 178.373 177.300 0.023 0.000 1.146 230 P CA 1.884 64.997 63.100 0.021 0.000 0.813 230 P CB -0.138 31.564 31.700 0.002 0.000 0.778 231 M N -1.174 118.446 119.600 0.034 0.000 2.476 231 M HA 0.032 4.512 4.480 -0.000 0.000 0.262 231 M C 0.716 177.028 176.300 0.020 0.000 1.111 231 M CA 0.291 55.607 55.300 0.027 0.000 1.127 231 M CB -0.143 32.485 32.600 0.047 0.000 1.376 231 M HN -0.315 nan 8.290 nan 0.000 0.465 232 V N 2.574 122.506 119.914 0.030 0.000 2.763 232 V HA 0.081 4.201 4.120 -0.000 0.000 0.306 232 V C 0.485 176.607 176.094 0.046 0.000 1.059 232 V CA 0.300 62.618 62.300 0.030 0.000 1.138 232 V CB 0.092 31.936 31.823 0.036 0.000 0.940 232 V HN 0.381 nan 8.190 nan 0.000 0.489 233 R N 1.756 122.294 120.500 0.063 0.000 2.766 233 R HA 0.333 4.673 4.340 -0.000 0.000 0.270 233 R C -1.355 175.039 176.300 0.156 0.000 1.035 233 R CA -1.006 55.158 56.100 0.106 0.000 0.911 233 R CB 1.386 31.732 30.300 0.077 0.000 1.243 233 R HN 0.790 nan 8.270 nan 0.000 0.460 234 D N -0.210 120.320 120.400 0.217 0.000 2.336 234 D HA 0.226 4.866 4.640 -0.000 0.000 0.249 234 D C 1.225 177.716 176.300 0.319 0.000 1.213 234 D CA 0.192 54.339 54.000 0.245 0.000 0.870 234 D CB 1.043 42.002 40.800 0.265 0.000 1.076 234 D HN 0.583 nan 8.370 nan 0.000 0.483 235 G N 2.498 111.497 108.800 0.333 0.000 2.418 235 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 235 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 235 G C 1.498 176.627 174.900 0.381 0.000 1.158 235 G CA 0.632 46.022 45.100 0.483 0.000 0.771 235 G HN 0.486 nan 8.290 nan 0.000 0.545 236 V N -0.049 120.045 119.914 0.301 0.000 2.233 236 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 236 V C 2.273 178.545 176.094 0.296 0.000 1.050 236 V CA 2.013 64.466 62.300 0.255 0.000 1.010 236 V CB -0.890 31.042 31.823 0.182 0.000 0.637 236 V HN 0.531 nan 8.190 nan 0.000 0.444 237 Y N -0.269 120.125 120.300 0.155 0.000 2.165 237 Y HA -0.340 4.210 4.550 0.000 0.000 0.286 237 Y C 2.366 178.362 175.900 0.160 0.000 1.155 237 Y CA 2.102 60.291 58.100 0.148 0.000 1.164 237 Y CB -0.257 38.272 38.460 0.115 0.000 0.978 237 Y HN 0.252 nan 8.280 nan 0.000 0.513 238 F N 0.360 120.271 119.950 -0.066 0.000 2.026 238 F HA -0.359 4.168 4.527 -0.000 0.000 0.296 238 F C 2.241 177.877 175.800 -0.274 0.000 1.133 238 F CA 1.981 59.822 58.000 -0.266 0.000 1.188 238 F CB -0.474 38.358 39.000 -0.280 0.000 0.968 238 F HN 0.034 nan 8.300 nan 0.000 0.476 239 M N -0.557 118.954 119.600 -0.148 0.000 2.080 239 M HA -0.243 4.237 4.480 -0.000 0.000 0.260 239 M C 2.217 178.437 176.300 -0.133 0.000 1.068 239 M CA 1.701 56.880 55.300 -0.201 0.000 1.109 239 M CB -1.691 30.931 32.600 0.038 0.000 1.342 239 M HN 0.438 nan 8.290 nan 0.000 0.405 240 Y N 1.599 121.863 120.300 -0.060 0.000 2.128 240 Y HA -0.253 4.297 4.550 -0.000 0.000 0.284 240 Y C 2.286 178.196 175.900 0.017 0.000 1.154 240 Y CA 1.904 60.033 58.100 0.048 0.000 1.149 240 Y CB -0.192 38.305 38.460 0.062 0.000 0.976 240 Y HN 0.251 nan 8.280 nan 0.000 0.505 241 E N 0.100 120.203 120.200 -0.161 0.000 2.085 241 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 241 E C 2.373 178.764 176.600 -0.349 0.000 0.994 241 E CA 1.169 57.391 56.400 -0.296 0.000 0.801 241 E CB -0.585 28.812 29.700 -0.505 0.000 0.743 241 E HN 0.592 nan 8.360 nan 0.000 0.453 242 A N 0.897 123.443 122.820 -0.457 0.000 1.930 242 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 242 A C 2.276 179.665 177.584 -0.324 0.000 1.175 242 A CA 0.789 52.569 52.037 -0.429 0.000 0.627 242 A CB -0.487 18.166 19.000 -0.578 0.000 0.815 242 A HN 0.174 nan 8.150 nan 0.000 0.443 243 L N -1.639 119.387 121.223 -0.329 0.000 2.478 243 L HA -0.048 4.292 4.340 -0.000 0.000 0.223 243 L C 1.629 178.131 176.870 -0.613 0.000 1.140 243 L CA 0.882 55.482 54.840 -0.401 0.000 0.842 243 L CB -0.287 41.542 42.059 -0.384 0.000 0.953 243 L HN 0.515 nan 8.230 nan 0.000 0.452 244 H N -1.814 117.019 119.070 -0.395 0.000 2.986 244 H HA 0.222 4.778 4.556 -0.000 0.000 0.267 244 H C 1.309 176.501 175.328 -0.227 0.000 1.072 244 H CA 0.217 56.060 56.048 -0.342 0.000 1.202 244 H CB 0.432 29.880 29.762 -0.524 0.000 1.535 244 H HN 0.166 nan 8.280 nan 0.000 0.522 245 G N 1.383 110.100 108.800 -0.140 0.000 2.504 245 G HA2 0.187 4.147 3.960 -0.000 0.000 0.257 245 G HA3 0.187 4.147 3.960 -0.000 0.000 0.257 245 G C -1.785 173.053 174.900 -0.104 0.000 1.451 245 G CA -1.092 43.943 45.100 -0.108 0.000 1.059 245 G HN 0.008 nan 8.290 nan 0.000 0.550 246 P HA 0.169 nan 4.420 nan 0.000 0.264 246 P C -2.392 174.852 177.300 -0.093 0.000 1.193 246 P CA -0.743 62.312 63.100 -0.075 0.000 0.763 246 P CB 0.065 31.729 31.700 -0.060 0.000 0.810 247 P HA -0.052 nan 4.420 nan 0.000 0.261 247 P C -0.220 177.029 177.300 -0.086 0.000 1.158 247 P CA 0.954 63.998 63.100 -0.092 0.000 0.758 247 P CB 0.541 32.198 31.700 -0.071 0.000 0.763 248 K N 2.350 122.690 120.400 -0.100 0.000 2.443 248 K HA 0.408 4.728 4.320 -0.000 0.000 0.251 248 K C -0.249 176.310 176.600 -0.069 0.000 0.972 248 K CA -0.974 55.261 56.287 -0.086 0.000 0.833 248 K CB 2.201 34.632 32.500 -0.115 0.000 1.317 248 K HN 0.247 nan 8.250 nan 0.000 0.441 249 K N 1.691 122.064 120.400 -0.045 0.000 2.292 249 K HA 0.316 4.636 4.320 -0.000 0.000 0.270 249 K C -1.024 175.564 176.600 -0.020 0.000 1.062 249 K CA -0.490 55.782 56.287 -0.024 0.000 0.916 249 K CB 1.377 33.875 32.500 -0.003 0.000 1.166 249 K HN 0.173 nan 8.250 nan 0.000 0.458 250 V N 4.666 124.566 119.914 -0.022 0.000 2.435 250 V HA 0.374 4.494 4.120 -0.000 0.000 0.290 250 V C -0.682 175.422 176.094 0.017 0.000 1.030 250 V CA -0.997 61.300 62.300 -0.006 0.000 0.881 250 V CB 1.380 33.187 31.823 -0.026 0.000 0.983 250 V HN 0.520 nan 8.190 nan 0.000 0.445 251 L N 5.988 127.232 121.223 0.035 0.000 2.346 251 L HA 0.746 5.086 4.340 -0.000 0.000 0.276 251 L C -0.591 176.313 176.870 0.057 0.000 1.006 251 L CA -0.103 54.761 54.840 0.042 0.000 0.817 251 L CB 2.048 44.127 42.059 0.033 0.000 1.272 251 L HN 0.443 nan 8.230 nan 0.000 0.421 252 V N 4.322 124.270 119.914 0.056 0.000 2.378 252 V HA 0.392 4.512 4.120 -0.000 0.000 0.288 252 V C -0.209 175.922 176.094 0.061 0.000 1.016 252 V CA -0.685 61.657 62.300 0.069 0.000 0.840 252 V CB 1.381 33.247 31.823 0.072 0.000 0.994 252 V HN 0.805 nan 8.190 nan 0.000 0.431 253 E N 3.934 124.173 120.200 0.064 0.000 2.089 253 E HA 0.506 4.856 4.350 -0.000 0.000 0.284 253 E C 0.512 177.173 176.600 0.102 0.000 1.023 253 E CA -0.329 56.113 56.400 0.070 0.000 0.819 253 E CB 1.047 30.796 29.700 0.081 0.000 1.076 253 E HN 0.835 nan 8.360 nan 0.000 0.396 254 G N 2.825 111.680 108.800 0.091 0.000 2.599 254 G HA2 0.517 4.477 3.960 -0.000 0.000 0.264 254 G HA3 0.517 4.477 3.960 -0.000 0.000 0.264 254 G C -0.776 174.233 174.900 0.183 0.000 1.200 254 G CA -0.031 45.135 45.100 0.110 0.000 0.896 254 G HN 0.641 nan 8.290 nan 0.000 0.536 255 A N 0.026 122.949 122.820 0.172 0.000 2.423 255 A HA 0.769 5.089 4.320 -0.000 0.000 0.304 255 A C 0.361 178.045 177.584 0.167 0.000 1.104 255 A CA -0.051 52.120 52.037 0.223 0.000 0.757 255 A CB 0.684 19.760 19.000 0.127 0.000 1.313 255 A HN 1.118 nan 8.150 nan 0.000 0.423 256 N N -0.970 117.842 118.700 0.186 0.000 1.191 256 N HA -0.040 4.700 4.740 -0.000 0.000 0.120 256 N C -0.021 175.564 175.510 0.126 0.000 0.826 256 N CA 1.432 54.571 53.050 0.147 0.000 0.876 256 N CB -0.786 37.776 38.487 0.124 0.000 1.050 256 N HN 2.206 nan 8.380 nan 0.000 0.603 257 A N -1.474 121.414 122.820 0.113 0.000 2.483 257 A HA 0.786 5.106 4.320 -0.000 0.000 0.294 257 A C 0.494 178.119 177.584 0.068 0.000 1.077 257 A CA 0.252 52.340 52.037 0.084 0.000 0.633 257 A CB -0.074 18.963 19.000 0.061 0.000 1.318 257 A HN 1.171 nan 8.150 nan 0.000 0.455 258 A N -0.414 122.430 122.820 0.040 0.000 1.869 258 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 258 A C 1.492 179.089 177.584 0.022 0.000 1.203 258 A CA 2.129 54.176 52.037 0.018 0.000 0.638 258 A CB -0.651 18.329 19.000 -0.033 0.000 0.831 258 A HN 0.992 nan 8.150 nan 0.000 0.450 259 L N -0.534 120.602 121.223 -0.145 0.000 2.622 259 L HA 0.086 4.426 4.340 -0.000 0.000 0.233 259 L C 1.417 178.345 176.870 0.096 0.000 1.156 259 L CA 1.031 55.753 54.840 -0.198 0.000 0.866 259 L CB -0.974 40.522 42.059 -0.939 0.000 0.980 259 L HN 0.421 nan 8.230 nan 0.000 0.448 260 L N -1.542 119.776 121.223 0.158 0.000 2.766 260 L HA 0.162 4.502 4.340 -0.000 0.000 0.242 260 L C 0.833 177.808 176.870 0.176 0.000 1.136 260 L CA -0.172 54.819 54.840 0.251 0.000 0.933 260 L CB 0.480 42.686 42.059 0.244 0.000 1.241 260 L HN 0.120 nan 8.230 nan 0.000 0.522 261 D N 1.084 121.582 120.400 0.163 0.000 2.458 261 D HA -0.070 4.570 4.640 -0.000 0.000 0.243 261 D C 1.224 177.578 176.300 0.090 0.000 1.146 261 D CA -0.006 54.071 54.000 0.129 0.000 0.877 261 D CB 1.601 42.528 40.800 0.213 0.000 1.176 261 D HN 0.006 nan 8.370 nan 0.000 0.461 262 I N 4.016 124.592 120.570 0.010 0.000 2.315 262 I HA -0.263 3.907 4.170 -0.000 0.000 0.251 262 I C 1.464 177.544 176.117 -0.062 0.000 1.125 262 I CA 1.679 62.983 61.300 0.006 0.000 1.392 262 I CB -0.012 37.940 38.000 -0.080 0.000 1.065 262 I HN 0.454 nan 8.210 nan 0.000 0.424 263 D N -0.863 119.369 120.400 -0.280 0.000 2.269 263 D HA -0.033 4.607 4.640 -0.000 0.000 0.220 263 D C 1.776 177.748 176.300 -0.546 0.000 0.962 263 D CA 1.152 54.795 54.000 -0.596 0.000 0.884 263 D CB 0.004 40.121 40.800 -1.138 0.000 1.023 263 D HN 0.364 nan 8.370 nan 0.000 0.484 264 F N 1.440 121.456 119.950 0.111 0.000 2.714 264 F HA 0.245 4.772 4.527 -0.000 0.000 0.294 264 F C 1.779 177.766 175.800 0.311 0.000 1.120 264 F CA -0.376 57.752 58.000 0.214 0.000 1.398 264 F CB -0.469 38.599 39.000 0.113 0.000 1.120 264 F HN -0.200 nan 8.300 nan 0.000 0.589 265 G N 0.046 109.058 108.800 0.353 0.000 2.570 265 G HA2 0.253 4.213 3.960 -0.000 0.000 0.276 265 G HA3 0.253 4.213 3.960 -0.000 0.000 0.276 265 G C 0.258 175.404 174.900 0.408 0.000 1.346 265 G CA -0.087 45.221 45.100 0.347 0.000 1.034 265 G HN 0.181 nan 8.290 nan 0.000 0.512 266 T N -1.811 113.029 114.554 0.477 0.000 4.475 266 T HA 0.121 4.471 4.350 -0.000 0.000 0.254 266 T C 0.149 175.083 174.700 0.390 0.000 1.160 266 T CA -0.458 61.940 62.100 0.496 0.000 1.091 266 T CB -0.904 68.334 68.868 0.617 0.000 1.377 266 T HN 0.329 nan 8.240 nan 0.000 1.057 267 Y N 3.985 124.405 120.300 0.199 0.000 2.805 267 Y HA 0.158 4.708 4.550 0.000 0.000 0.337 267 Y C -1.213 174.693 175.900 0.010 0.000 1.252 267 Y CA -1.522 56.621 58.100 0.073 0.000 1.515 267 Y CB 0.930 39.409 38.460 0.032 0.000 1.305 267 Y HN 0.309 nan 8.280 nan 0.000 0.600 268 P HA 0.031 nan 4.420 nan 0.000 0.257 268 P C -0.685 176.143 177.300 -0.786 0.000 1.281 268 P CA 0.364 62.633 63.100 -1.384 0.000 0.826 268 P CB -0.147 30.737 31.700 -1.360 0.000 1.237 269 F N 2.010 121.876 119.950 -0.140 0.000 2.640 269 F HA 0.173 4.700 4.527 0.000 0.000 0.354 269 F C 1.205 177.034 175.800 0.049 0.000 1.213 269 F CA -0.520 57.456 58.000 -0.041 0.000 1.314 269 F CB -0.353 38.640 39.000 -0.011 0.000 1.679 269 F HN -0.168 nan 8.300 nan 0.000 0.622 270 V N -2.809 117.169 119.914 0.106 0.000 3.103 270 V HA 0.693 4.813 4.120 -0.000 0.000 0.311 270 V C -0.238 175.913 176.094 0.094 0.000 1.322 270 V CA -0.848 61.546 62.300 0.157 0.000 1.063 270 V CB 1.585 33.507 31.823 0.166 0.000 1.090 270 V HN 0.112 nan 8.190 nan 0.000 0.462 271 T N -0.575 114.038 114.554 0.098 0.000 2.912 271 T HA 0.432 4.782 4.350 -0.000 0.000 0.280 271 T C 0.624 175.331 174.700 0.012 0.000 0.989 271 T CA 0.225 62.363 62.100 0.063 0.000 0.995 271 T CB 1.428 70.341 68.868 0.075 0.000 1.077 271 T HN 0.915 nan 8.240 nan 0.000 0.531 272 S N 1.790 117.477 115.700 -0.021 0.000 2.677 272 S HA 0.299 4.769 4.470 -0.000 0.000 0.246 272 S C 0.073 174.365 174.600 -0.514 0.000 1.005 272 S CA -0.587 57.534 58.200 -0.132 0.000 1.062 272 S CB -0.544 62.658 63.200 0.004 0.000 0.778 272 S HN 0.762 nan 8.310 nan 0.000 0.461 273 S N 0.413 115.861 115.700 -0.421 0.000 2.651 273 S HA 0.487 4.957 4.470 -0.000 0.000 0.279 273 S C -1.138 173.336 174.600 -0.210 0.000 1.148 273 S CA -1.178 56.701 58.200 -0.535 0.000 0.837 273 S CB 0.734 63.626 63.200 -0.514 0.000 1.138 273 S HN 0.209 nan 8.310 nan 0.000 0.478 274 N N 0.439 119.048 118.700 -0.151 0.000 2.439 274 N HA 0.312 5.052 4.740 -0.000 0.000 0.243 274 N C 0.277 175.797 175.510 0.017 0.000 1.088 274 N CA -0.498 52.531 53.050 -0.035 0.000 0.940 274 N CB 0.337 38.816 38.487 -0.013 0.000 1.180 274 N HN 0.627 nan 8.380 nan 0.000 0.505 275 C N 0.140 119.470 119.300 0.050 0.000 2.514 275 C HA 0.001 4.461 4.460 -0.000 0.000 0.271 275 C C 1.548 176.582 174.990 0.074 0.000 1.399 275 C CA -0.315 58.745 59.018 0.069 0.000 1.765 275 C CB -1.685 26.105 27.740 0.084 0.000 1.893 275 C HN 0.689 nan 8.230 nan 0.000 0.531 276 T N -1.045 113.557 114.554 0.081 0.000 2.726 276 T HA 0.216 4.566 4.350 -0.000 0.000 0.294 276 T C 1.254 175.960 174.700 0.010 0.000 1.013 276 T CA -0.022 62.095 62.100 0.030 0.000 0.996 276 T CB 0.861 69.745 68.868 0.026 0.000 1.016 276 T HN 0.028 nan 8.240 nan 0.000 0.529 277 V N 1.383 121.265 119.914 -0.054 0.000 2.453 277 V HA -0.056 4.064 4.120 -0.000 0.000 0.252 277 V C 2.476 178.560 176.094 -0.016 0.000 1.068 277 V CA 2.673 64.949 62.300 -0.041 0.000 1.070 277 V CB -1.431 30.331 31.823 -0.101 0.000 0.664 277 V HN 1.111 nan 8.190 nan 0.000 0.461 278 G N -0.602 108.192 108.800 -0.009 0.000 2.432 278 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.219 278 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.219 278 G C 1.559 176.480 174.900 0.035 0.000 1.135 278 G CA 0.719 45.830 45.100 0.018 0.000 0.767 278 G HN 0.699 nan 8.290 nan 0.000 0.550 279 G N 0.393 109.218 108.800 0.041 0.000 2.462 279 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.220 279 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.220 279 G C 1.692 176.623 174.900 0.051 0.000 1.121 279 G CA 1.092 46.217 45.100 0.041 0.000 0.758 279 G HN 0.338 nan 8.290 nan 0.000 0.559 280 V N 0.305 120.249 119.914 0.049 0.000 2.358 280 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 280 V C 3.012 179.147 176.094 0.069 0.000 1.047 280 V CA 1.762 64.099 62.300 0.061 0.000 1.035 280 V CB -0.630 31.222 31.823 0.049 0.000 0.658 280 V HN 0.501 nan 8.190 nan 0.000 0.452 281 C N 0.612 119.945 119.300 0.055 0.000 2.462 281 C HA -0.135 4.325 4.460 -0.000 0.000 0.278 281 C C 3.163 178.196 174.990 0.073 0.000 1.253 281 C CA 1.736 60.791 59.018 0.061 0.000 1.713 281 C CB -1.292 26.474 27.740 0.043 0.000 2.049 281 C HN 0.752 nan 8.230 nan 0.000 0.477 282 T N -1.250 113.342 114.554 0.062 0.000 2.995 282 T HA 0.015 4.365 4.350 -0.000 0.000 0.269 282 T C 1.708 176.457 174.700 0.082 0.000 1.091 282 T CA 1.716 63.855 62.100 0.065 0.000 1.128 282 T CB -0.468 68.428 68.868 0.047 0.000 0.891 282 T HN 0.542 nan 8.240 nan 0.000 0.492 283 G N 0.399 109.250 108.800 0.086 0.000 2.838 283 G HA2 0.347 4.307 3.960 -0.000 0.000 0.210 283 G HA3 0.347 4.307 3.960 -0.000 0.000 0.210 283 G C 1.208 176.183 174.900 0.125 0.000 1.153 283 G CA -0.021 45.137 45.100 0.096 0.000 0.778 283 G HN 0.540 nan 8.290 nan 0.000 0.539 284 L N -0.858 120.456 121.223 0.151 0.000 3.039 284 L HA 0.319 4.659 4.340 -0.000 0.000 0.269 284 L C 1.572 178.570 176.870 0.215 0.000 1.169 284 L CA 0.284 55.260 54.840 0.227 0.000 0.986 284 L CB 0.682 42.883 42.059 0.237 0.000 1.377 284 L HN 0.226 nan 8.230 nan 0.000 0.575 285 G N 2.599 111.495 108.800 0.160 0.000 2.225 285 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.264 285 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.264 285 G C 0.034 175.023 174.900 0.147 0.000 1.060 285 G CA 0.574 45.762 45.100 0.146 0.000 0.833 285 G HN 0.473 nan 8.290 nan 0.000 0.498 286 I N -2.252 118.395 120.570 0.129 0.000 2.530 286 I HA 0.799 4.969 4.170 -0.000 0.000 0.297 286 I C -2.131 174.042 176.117 0.092 0.000 1.011 286 I CA -3.223 58.150 61.300 0.122 0.000 1.107 286 I CB 2.419 40.479 38.000 0.100 0.000 1.285 286 I HN -0.061 nan 8.210 nan 0.000 0.436 287 P HA 0.247 nan 4.420 nan 0.000 0.275 287 P C -2.148 175.176 177.300 0.041 0.000 1.228 287 P CA -1.412 61.728 63.100 0.067 0.000 0.786 287 P CB 0.474 32.224 31.700 0.083 0.000 0.927 288 P HA -0.226 nan 4.420 nan 0.000 0.218 288 P C 1.377 178.674 177.300 -0.005 0.000 1.146 288 P CA 1.726 64.827 63.100 0.002 0.000 0.820 288 P CB -0.120 31.576 31.700 -0.007 0.000 0.778 289 Q N -0.051 119.751 119.800 0.003 0.000 2.436 289 Q HA -0.071 4.269 4.340 -0.000 0.000 0.209 289 Q C 0.677 176.665 176.000 -0.021 0.000 0.965 289 Q CA 1.120 56.919 55.803 -0.007 0.000 0.910 289 Q CB -1.032 27.708 28.738 0.004 0.000 0.980 289 Q HN 0.300 nan 8.270 nan 0.000 0.491 290 N N 0.411 119.102 118.700 -0.016 0.000 2.276 290 N HA 0.191 4.931 4.740 -0.000 0.000 0.212 290 N C -0.795 174.693 175.510 -0.035 0.000 1.127 290 N CA -0.009 53.016 53.050 -0.041 0.000 0.834 290 N CB 0.568 39.032 38.487 -0.039 0.000 1.014 290 N HN 0.171 nan 8.380 nan 0.000 0.491 291 I N 0.754 121.307 120.570 -0.029 0.000 2.328 291 I HA 0.292 4.462 4.170 -0.000 0.000 0.287 291 I C 1.225 177.314 176.117 -0.047 0.000 1.012 291 I CA -0.215 61.066 61.300 -0.033 0.000 1.195 291 I CB 0.718 38.701 38.000 -0.027 0.000 1.350 291 I HN 0.098 nan 8.210 nan 0.000 0.464 292 G N 6.054 114.820 108.800 -0.057 0.000 3.348 292 G HA2 0.064 4.024 3.960 -0.000 0.000 0.180 292 G HA3 0.064 4.024 3.960 -0.000 0.000 0.180 292 G C -0.207 174.632 174.900 -0.102 0.000 1.915 292 G CA -0.089 44.971 45.100 -0.067 0.000 0.937 292 G HN 0.466 nan 8.290 nan 0.000 0.564 293 D N 0.172 120.475 120.400 -0.161 0.000 2.389 293 D HA 0.403 5.043 4.640 -0.000 0.000 0.247 293 D C -0.324 175.735 176.300 -0.402 0.000 1.128 293 D CA 0.154 53.955 54.000 -0.331 0.000 0.884 293 D CB 1.850 42.324 40.800 -0.545 0.000 1.194 293 D HN -0.028 nan 8.370 nan 0.000 0.441 294 V N 3.826 123.554 119.914 -0.310 0.000 2.325 294 V HA 0.153 4.273 4.120 -0.000 0.000 0.280 294 V C -0.893 175.223 176.094 0.037 0.000 1.016 294 V CA -0.830 61.410 62.300 -0.099 0.000 0.818 294 V CB -0.050 31.802 31.823 0.049 0.000 1.019 294 V HN 0.339 nan 8.190 nan 0.000 0.434 295 Y N 2.053 122.453 120.300 0.166 0.000 2.313 295 Y HA 0.656 5.206 4.550 0.000 0.000 0.332 295 Y C 1.000 176.809 175.900 -0.151 0.000 1.071 295 Y CA -0.888 57.253 58.100 0.068 0.000 1.169 295 Y CB 1.492 40.023 38.460 0.118 0.000 1.192 295 Y HN 0.614 nan 8.280 nan 0.000 0.487 296 G N 2.338 110.862 108.800 -0.461 0.000 2.335 296 G HA2 0.478 4.438 3.960 -0.000 0.000 0.314 296 G HA3 0.478 4.438 3.960 -0.000 0.000 0.314 296 G C -1.149 173.462 174.900 -0.482 0.000 1.129 296 G CA -0.621 43.816 45.100 -1.104 0.000 0.912 296 G HN 0.480 nan 8.290 nan 0.000 0.443 297 V N 3.151 122.902 119.914 -0.273 0.000 2.427 297 V HA 0.190 4.310 4.120 -0.000 0.000 0.268 297 V C 0.117 176.122 176.094 -0.147 0.000 1.046 297 V CA -0.410 61.789 62.300 -0.167 0.000 0.970 297 V CB 1.025 32.769 31.823 -0.132 0.000 1.001 297 V HN 0.436 nan 8.190 nan 0.000 0.476 298 V N 5.805 125.652 119.914 -0.112 0.000 2.350 298 V HA 0.331 4.451 4.120 -0.000 0.000 0.285 298 V C 0.273 176.352 176.094 -0.026 0.000 1.014 298 V CA -0.873 61.390 62.300 -0.062 0.000 0.831 298 V CB 1.495 33.291 31.823 -0.045 0.000 1.000 298 V HN 0.861 nan 8.190 nan 0.000 0.433 299 K N 3.254 123.625 120.400 -0.048 0.000 2.270 299 K HA 0.432 4.752 4.320 -0.000 0.000 0.276 299 K C 1.306 177.905 176.600 -0.002 0.000 1.023 299 K CA 0.231 56.457 56.287 -0.102 0.000 0.955 299 K CB 1.352 33.694 32.500 -0.263 0.000 0.975 299 K HN 0.760 nan 8.250 nan 0.000 0.471 300 A N 4.056 126.928 122.820 0.086 0.000 2.131 300 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 300 A C -0.059 177.808 177.584 0.471 0.000 1.158 300 A CA 1.137 53.392 52.037 0.364 0.000 0.665 300 A CB -0.605 18.665 19.000 0.449 0.000 0.795 300 A HN 0.725 nan 8.150 nan 0.000 0.460 301 Y N -4.494 115.979 120.300 0.289 0.000 2.677 301 Y HA 0.713 5.263 4.550 -0.000 0.000 0.334 301 Y C -0.390 175.686 175.900 0.293 0.000 1.154 301 Y CA -1.440 56.848 58.100 0.314 0.000 1.070 301 Y CB 0.330 38.927 38.460 0.228 0.000 1.294 301 Y HN -0.208 nan 8.280 nan 0.000 0.475 302 T N 1.837 116.666 114.554 0.457 0.000 2.824 302 T HA 0.617 4.967 4.350 -0.000 0.000 0.280 302 T C -0.497 174.485 174.700 0.470 0.000 0.995 302 T CA -0.531 61.813 62.100 0.408 0.000 1.009 302 T CB 1.080 70.312 68.868 0.606 0.000 0.955 302 T HN 0.870 nan 8.240 nan 0.000 0.452 303 T N 0.478 115.168 114.554 0.227 0.000 2.893 303 T HA 0.773 5.123 4.350 -0.000 0.000 0.291 303 T C -0.769 173.904 174.700 -0.046 0.000 1.028 303 T CA -1.177 61.026 62.100 0.172 0.000 0.995 303 T CB 2.046 71.004 68.868 0.150 0.000 1.051 303 T HN 0.650 nan 8.240 nan 0.000 0.470 304 R N 1.213 121.604 120.500 -0.182 0.000 2.510 304 R HA 0.652 4.992 4.340 -0.000 0.000 0.287 304 R C -2.067 174.134 176.300 -0.165 0.000 1.084 304 R CA -0.811 55.066 56.100 -0.371 0.000 0.934 304 R CB 2.063 31.696 30.300 -1.112 0.000 1.201 304 R HN 0.643 nan 8.270 nan 0.000 0.431 305 V N 5.602 125.463 119.914 -0.088 0.000 2.357 305 V HA 0.915 5.035 4.120 -0.000 0.000 0.284 305 V C -0.084 175.982 176.094 -0.045 0.000 1.018 305 V CA 1.040 63.325 62.300 -0.025 0.000 0.841 305 V CB 0.712 32.557 31.823 0.038 0.000 0.991 305 V HN 1.100 nan 8.190 nan 0.000 0.437 306 G N 6.440 115.207 108.800 -0.056 0.000 2.343 306 G HA2 0.067 4.027 3.960 -0.000 0.000 0.465 306 G HA3 0.067 4.027 3.960 -0.000 0.000 0.465 306 G C -1.304 173.527 174.900 -0.115 0.000 1.282 306 G CA -0.571 44.499 45.100 -0.050 0.000 0.996 306 G HN 0.654 nan 8.290 nan 0.000 0.521 307 I N 1.300 121.802 120.570 -0.113 0.000 2.713 307 I HA 0.751 4.921 4.170 -0.000 0.000 0.300 307 I C 1.234 177.043 176.117 -0.514 0.000 1.009 307 I CA 1.048 62.179 61.300 -0.282 0.000 1.305 307 I CB 0.397 38.242 38.000 -0.259 0.000 1.430 307 I HN 2.178 nan 8.210 nan 0.000 0.546 308 G N 2.625 110.986 108.800 -0.731 0.000 2.334 308 G HA2 0.388 4.348 3.960 -0.000 0.000 0.566 308 G HA3 0.388 4.348 3.960 -0.000 0.000 0.566 308 G C -0.884 173.818 174.900 -0.331 0.000 1.413 308 G CA -0.435 44.249 45.100 -0.693 0.000 0.993 308 G HN 0.844 nan 8.290 nan 0.000 0.642 309 A N -0.057 122.681 122.820 -0.136 0.000 2.520 309 A HA 0.603 4.923 4.320 -0.000 0.000 0.235 309 A C -0.273 177.358 177.584 0.078 0.000 1.065 309 A CA 0.647 52.691 52.037 0.012 0.000 0.764 309 A CB 0.321 19.383 19.000 0.104 0.000 1.002 309 A HN 2.024 nan 8.150 nan 0.000 0.502 310 F N 4.203 124.110 119.950 -0.072 0.000 3.397 310 F HA 0.399 4.926 4.527 -0.000 0.000 0.406 310 F C -2.543 173.298 175.800 0.069 0.000 1.166 310 F CA -2.335 55.642 58.000 -0.038 0.000 1.322 310 F CB 0.869 39.732 39.000 -0.228 0.000 2.322 310 F HN 0.352 nan 8.300 nan 0.000 0.709 311 P HA -0.180 nan 4.420 nan 0.000 0.215 311 P C 1.528 178.892 177.300 0.106 0.000 1.163 311 P CA 2.693 65.847 63.100 0.090 0.000 0.894 311 P CB 0.133 31.786 31.700 -0.080 0.000 0.791 312 T N -4.093 110.611 114.554 0.251 0.000 3.169 312 T HA 0.070 4.420 4.350 -0.000 0.000 0.250 312 T C 0.567 175.163 174.700 -0.174 0.000 1.111 312 T CA -0.361 61.909 62.100 0.284 0.000 1.010 312 T CB -0.803 68.419 68.868 0.590 0.000 0.984 312 T HN 0.138 nan 8.240 nan 0.000 0.537 313 E N 1.673 121.353 120.200 -0.866 0.000 2.568 313 E HA -0.054 4.296 4.350 -0.000 0.000 0.262 313 E C -0.441 175.878 176.600 -0.469 0.000 0.961 313 E CA 0.223 55.918 56.400 -1.176 0.000 0.945 313 E CB 0.344 29.371 29.700 -1.121 0.000 0.924 313 E HN 0.272 nan 8.360 nan 0.000 0.467 314 Q N 4.735 124.293 119.800 -0.403 0.000 2.456 314 Q HA 0.260 4.600 4.340 -0.000 0.000 0.252 314 Q C -0.587 175.281 176.000 -0.220 0.000 1.042 314 Q CA -0.509 55.114 55.803 -0.300 0.000 0.766 314 Q CB 1.126 29.600 28.738 -0.440 0.000 1.196 314 Q HN 0.542 nan 8.270 nan 0.000 0.504 315 I N 3.777 124.249 120.570 -0.163 0.000 2.206 315 I HA 0.123 4.293 4.170 -0.000 0.000 0.292 315 I C 0.022 176.078 176.117 -0.102 0.000 1.156 315 I CA 0.062 61.292 61.300 -0.116 0.000 1.356 315 I CB -1.324 36.622 38.000 -0.091 0.000 1.494 315 I HN 0.525 nan 8.210 nan 0.000 0.601 316 N N 1.630 120.259 118.700 -0.118 0.000 3.427 316 N HA 0.024 4.764 4.740 -0.000 0.000 0.313 316 N C 0.497 175.938 175.510 -0.116 0.000 1.491 316 N CA -0.733 52.255 53.050 -0.103 0.000 0.870 316 N CB 0.788 39.215 38.487 -0.101 0.000 1.763 316 N HN 0.052 nan 8.380 nan 0.000 0.502 317 E N -0.029 120.110 120.200 -0.102 0.000 2.049 317 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 317 E C 1.229 177.740 176.600 -0.148 0.000 1.007 317 E CA 1.924 58.262 56.400 -0.104 0.000 0.809 317 E CB -0.231 29.419 29.700 -0.082 0.000 0.749 317 E HN 0.548 nan 8.360 nan 0.000 0.450 318 I N 0.586 121.043 120.570 -0.188 0.000 2.361 318 I HA -0.186 3.984 4.170 -0.000 0.000 0.251 318 I C 2.462 178.363 176.117 -0.360 0.000 1.133 318 I CA 1.086 62.210 61.300 -0.294 0.000 1.413 318 I CB -0.449 37.324 38.000 -0.378 0.000 1.073 318 I HN 0.295 nan 8.210 nan 0.000 0.424 319 G N 0.308 108.927 108.800 -0.302 0.000 2.408 319 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 319 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 319 G C 1.257 176.046 174.900 -0.185 0.000 1.150 319 G CA 0.691 45.635 45.100 -0.261 0.000 0.776 319 G HN 0.302 nan 8.290 nan 0.000 0.542 320 D N 0.250 120.560 120.400 -0.149 0.000 2.144 320 D HA -0.075 4.565 4.640 -0.000 0.000 0.200 320 D C 2.373 178.600 176.300 -0.122 0.000 0.978 320 D CA 0.481 54.419 54.000 -0.104 0.000 0.833 320 D CB -0.183 40.569 40.800 -0.080 0.000 0.961 320 D HN 0.271 nan 8.370 nan 0.000 0.470 321 L N 0.651 121.774 121.223 -0.166 0.000 2.141 321 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 321 L C 2.108 178.833 176.870 -0.242 0.000 1.094 321 L CA 1.156 55.888 54.840 -0.181 0.000 0.763 321 L CB -0.267 41.678 42.059 -0.190 0.000 0.908 321 L HN -0.039 nan 8.230 nan 0.000 0.437 322 L N -1.202 119.828 121.223 -0.322 0.000 2.068 322 L HA -0.125 4.215 4.340 -0.000 0.000 0.204 322 L C 2.615 179.307 176.870 -0.296 0.000 1.076 322 L CA 1.013 55.564 54.840 -0.481 0.000 0.753 322 L CB -0.874 40.798 42.059 -0.645 0.000 0.910 322 L HN 0.334 nan 8.230 nan 0.000 0.439 323 Q N 0.761 120.473 119.800 -0.146 0.000 2.096 323 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 323 Q C 1.856 177.862 176.000 0.011 0.000 0.982 323 Q CA 1.863 57.660 55.803 -0.009 0.000 0.850 323 Q CB -0.311 28.443 28.738 0.027 0.000 0.901 323 Q HN 0.511 nan 8.270 nan 0.000 0.422 324 N N 0.302 118.980 118.700 -0.036 0.000 2.132 324 N HA -0.091 4.649 4.740 -0.000 0.000 0.187 324 N C 1.796 177.212 175.510 -0.158 0.000 1.038 324 N CA 0.841 53.883 53.050 -0.012 0.000 0.846 324 N CB -0.025 38.452 38.487 -0.018 0.000 1.012 324 N HN 0.192 nan 8.380 nan 0.000 0.429 325 R N -0.440 119.935 120.500 -0.209 0.000 2.193 325 R HA -0.018 4.322 4.340 -0.000 0.000 0.229 325 R C 1.751 177.820 176.300 -0.385 0.000 1.110 325 R CA 1.104 57.034 56.100 -0.284 0.000 0.988 325 R CB -0.209 29.967 30.300 -0.207 0.000 0.871 325 R HN 0.243 nan 8.270 nan 0.000 0.458 326 G N -0.946 107.687 108.800 -0.279 0.000 3.088 326 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.217 326 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.217 326 G C -0.449 174.348 174.900 -0.172 0.000 1.159 326 G CA -0.304 44.710 45.100 -0.143 0.000 0.760 326 G HN 0.375 nan 8.290 nan 0.000 0.550 327 H N 0.574 119.586 119.070 -0.096 0.000 2.626 327 H HA -0.104 4.452 4.556 -0.000 0.000 0.317 327 H C -0.183 174.781 175.328 -0.607 0.000 1.140 327 H CA 1.036 56.839 56.048 -0.408 0.000 1.134 327 H CB -1.387 27.982 29.762 -0.654 0.000 1.486 327 H HN 0.400 nan 8.280 nan 0.000 0.417 328 E N 0.450 120.618 120.200 -0.053 0.000 1.802 328 E HA 0.119 4.469 4.350 -0.000 0.000 0.265 328 E C 0.542 177.237 176.600 0.157 0.000 1.168 328 E CA 0.035 56.438 56.400 0.006 0.000 1.033 328 E CB -0.476 29.299 29.700 0.125 0.000 1.095 328 E HN 0.493 nan 8.360 nan 0.000 0.436 329 W N -0.326 121.031 121.300 0.095 0.000 3.032 329 W HA 0.599 5.259 4.660 -0.000 0.000 0.335 329 W C 0.170 176.727 176.519 0.064 0.000 1.154 329 W CA -1.777 55.609 57.345 0.068 0.000 1.204 329 W CB 0.099 29.593 29.460 0.056 0.000 1.416 329 W HN 0.256 nan 8.180 nan 0.000 0.521 330 G N 1.433 110.415 108.800 0.302 0.000 2.187 330 G HA2 0.196 4.156 3.960 -0.000 0.000 0.239 330 G HA3 0.196 4.156 3.960 -0.000 0.000 0.239 330 G C 0.555 175.598 174.900 0.237 0.000 1.200 330 G CA 0.242 45.467 45.100 0.208 0.000 0.888 330 G HN 1.568 nan 8.290 nan 0.000 0.482 331 V N 0.455 120.459 119.914 0.151 0.000 3.623 331 V HA 0.138 4.258 4.120 -0.000 0.000 0.271 331 V C 1.558 177.804 176.094 0.253 0.000 1.248 331 V CA 1.791 64.185 62.300 0.156 0.000 1.156 331 V CB -0.142 31.716 31.823 0.059 0.000 0.870 331 V HN 0.573 nan 8.190 nan 0.000 0.453 332 T N 0.938 115.627 114.554 0.225 0.000 3.138 332 T HA 0.058 4.408 4.350 -0.000 0.000 0.245 332 T C 1.797 176.547 174.700 0.083 0.000 0.982 332 T CA 1.423 63.638 62.100 0.190 0.000 1.134 332 T CB 0.243 69.217 68.868 0.178 0.000 1.032 332 T HN 0.722 nan 8.240 nan 0.000 0.442 333 T N -1.190 113.422 114.554 0.095 0.000 3.039 333 T HA 0.418 4.768 4.350 -0.000 0.000 0.250 333 T C 1.882 176.630 174.700 0.080 0.000 1.052 333 T CA 1.165 63.304 62.100 0.066 0.000 1.125 333 T CB 0.028 68.931 68.868 0.058 0.000 0.908 333 T HN 0.565 nan 8.240 nan 0.000 0.473 334 G N 1.714 110.599 108.800 0.141 0.000 2.176 334 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.232 334 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.232 334 G C 0.203 175.184 174.900 0.135 0.000 0.986 334 G CA -0.178 45.013 45.100 0.152 0.000 0.643 334 G HN 0.695 nan 8.290 nan 0.000 0.522 335 R N 0.581 121.157 120.500 0.127 0.000 2.734 335 R HA 0.363 4.703 4.340 -0.000 0.000 0.266 335 R C 0.544 176.942 176.300 0.162 0.000 1.044 335 R CA 0.070 56.233 56.100 0.106 0.000 1.128 335 R CB 0.506 30.853 30.300 0.078 0.000 1.010 335 R HN 0.105 nan 8.270 nan 0.000 0.461 336 K N 2.898 123.375 120.400 0.128 0.000 2.276 336 K HA 0.106 4.426 4.320 -0.000 0.000 0.283 336 K C -0.028 176.650 176.600 0.129 0.000 1.044 336 K CA -0.093 56.291 56.287 0.161 0.000 0.944 336 K CB 0.819 33.385 32.500 0.109 0.000 1.012 336 K HN 0.377 nan 8.250 nan 0.000 0.472 337 R N 2.583 123.172 120.500 0.149 0.000 2.500 337 R HA 0.229 4.569 4.340 -0.000 0.000 0.275 337 R C -0.046 176.330 176.300 0.126 0.000 1.051 337 R CA -0.553 55.618 56.100 0.118 0.000 1.088 337 R CB 0.856 31.228 30.300 0.120 0.000 1.063 337 R HN 0.440 nan 8.270 nan 0.000 0.511 338 R N 0.690 121.272 120.500 0.138 0.000 2.490 338 R HA 0.303 4.643 4.340 -0.000 0.000 0.278 338 R C -0.577 175.930 176.300 0.343 0.000 1.069 338 R CA -0.322 55.901 56.100 0.205 0.000 1.080 338 R CB 0.703 31.164 30.300 0.269 0.000 1.030 338 R HN 0.499 nan 8.270 nan 0.000 0.491 339 C N 0.961 120.412 119.300 0.252 0.000 2.707 339 C HA 0.922 5.382 4.460 -0.000 0.000 0.313 339 C C 0.464 175.517 174.990 0.104 0.000 1.209 339 C CA -0.518 58.669 59.018 0.282 0.000 1.635 339 C CB 1.744 29.551 27.740 0.113 0.000 2.206 339 C HN 0.989 nan 8.230 nan 0.000 0.485 340 G N -0.053 108.905 108.800 0.265 0.000 2.649 340 G HA2 0.599 4.559 3.960 -0.000 0.000 0.290 340 G HA3 0.599 4.559 3.960 -0.000 0.000 0.290 340 G C -1.667 173.390 174.900 0.262 0.000 1.426 340 G CA -0.679 44.438 45.100 0.030 0.000 0.794 340 G HN 0.734 nan 8.290 nan 0.000 0.483 341 W N -0.602 120.864 121.300 0.275 0.000 2.079 341 W HA 0.456 5.116 4.660 -0.000 0.000 0.354 341 W C 0.847 177.621 176.519 0.425 0.000 1.302 341 W CA -0.595 56.943 57.345 0.321 0.000 1.281 341 W CB 0.560 30.189 29.460 0.281 0.000 1.165 341 W HN 0.417 nan 8.180 nan 0.000 0.603 342 L N 2.729 124.373 121.223 0.702 0.000 2.506 342 L HA -0.014 4.326 4.340 -0.000 0.000 0.281 342 L C -0.133 177.027 176.870 0.483 0.000 1.228 342 L CA 0.912 56.063 54.840 0.517 0.000 0.850 342 L CB 0.033 42.361 42.059 0.449 0.000 1.110 342 L HN 0.289 nan 8.230 nan 0.000 0.496 343 D N 4.049 124.689 120.400 0.399 0.000 2.469 343 D HA 0.178 4.818 4.640 -0.000 0.000 0.251 343 D C 0.638 177.076 176.300 0.230 0.000 1.173 343 D CA -0.316 53.904 54.000 0.367 0.000 0.882 343 D CB 0.980 42.066 40.800 0.478 0.000 1.129 343 D HN 0.613 nan 8.370 nan 0.000 0.549 344 L N 2.734 124.064 121.223 0.178 0.000 2.313 344 L HA -0.061 4.279 4.340 -0.000 0.000 0.214 344 L C 2.350 179.249 176.870 0.049 0.000 1.119 344 L CA 0.414 55.318 54.840 0.108 0.000 0.809 344 L CB -0.181 41.942 42.059 0.106 0.000 0.933 344 L HN 0.430 nan 8.230 nan 0.000 0.449 345 M N 0.194 119.787 119.600 -0.011 0.000 2.086 345 M HA -0.186 4.294 4.480 -0.000 0.000 0.261 345 M C 2.499 178.790 176.300 -0.015 0.000 1.067 345 M CA 1.937 57.174 55.300 -0.105 0.000 1.116 345 M CB -0.763 31.476 32.600 -0.601 0.000 1.348 345 M HN 0.354 nan 8.290 nan 0.000 0.407 346 I N -2.268 118.283 120.570 -0.031 0.000 2.353 346 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 346 I C 2.149 178.193 176.117 -0.123 0.000 1.119 346 I CA 1.205 62.334 61.300 -0.286 0.000 1.417 346 I CB -0.679 37.106 38.000 -0.359 0.000 1.078 346 I HN 0.134 nan 8.210 nan 0.000 0.421 347 L N 0.834 122.048 121.223 -0.015 0.000 2.017 347 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 347 L C 3.027 179.950 176.870 0.088 0.000 1.073 347 L CA 1.620 56.489 54.840 0.049 0.000 0.745 347 L CB -0.644 41.456 42.059 0.068 0.000 0.894 347 L HN 0.214 nan 8.230 nan 0.000 0.432 348 R N -1.254 119.292 120.500 0.076 0.000 2.120 348 R HA -0.210 4.130 4.340 -0.000 0.000 0.234 348 R C 2.283 178.631 176.300 0.080 0.000 1.123 348 R CA 1.496 57.655 56.100 0.099 0.000 0.975 348 R CB -0.367 29.981 30.300 0.080 0.000 0.866 348 R HN 0.301 nan 8.270 nan 0.000 0.446 349 Y N 0.950 121.193 120.300 -0.095 0.000 2.200 349 Y HA -0.158 4.392 4.550 -0.000 0.000 0.290 349 Y C 2.183 177.958 175.900 -0.208 0.000 1.137 349 Y CA 1.203 59.204 58.100 -0.164 0.000 1.163 349 Y CB -0.391 37.863 38.460 -0.343 0.000 0.988 349 Y HN 0.017 nan 8.280 nan 0.000 0.518 350 A N -0.685 122.006 122.820 -0.215 0.000 1.933 350 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 350 A C 2.044 179.381 177.584 -0.412 0.000 1.175 350 A CA 2.012 53.878 52.037 -0.285 0.000 0.628 350 A CB -1.259 17.743 19.000 0.003 0.000 0.814 350 A HN 0.722 nan 8.150 nan 0.000 0.444 351 H N -0.677 118.209 119.070 -0.308 0.000 2.389 351 H HA 0.052 4.608 4.556 0.000 0.000 0.299 351 H C 1.842 176.919 175.328 -0.417 0.000 1.081 351 H CA 2.001 57.826 56.048 -0.371 0.000 1.345 351 H CB -0.298 29.431 29.762 -0.056 0.000 1.393 351 H HN 0.435 nan 8.280 nan 0.000 0.520 352 M N -0.984 118.318 119.600 -0.497 0.000 2.213 352 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 352 M C 2.022 177.956 176.300 -0.611 0.000 1.062 352 M CA 1.184 56.171 55.300 -0.523 0.000 1.105 352 M CB 0.234 32.611 32.600 -0.372 0.000 1.385 352 M HN 0.166 nan 8.290 nan 0.000 0.417 353 V N -0.091 119.382 119.914 -0.734 0.000 2.599 353 V HA -0.106 4.014 4.120 -0.000 0.000 0.245 353 V C 1.676 177.381 176.094 -0.649 0.000 1.046 353 V CA 1.273 63.100 62.300 -0.789 0.000 1.065 353 V CB -0.495 30.699 31.823 -1.048 0.000 0.703 353 V HN 0.439 nan 8.190 nan 0.000 0.464 354 N N 0.293 118.559 118.700 -0.723 0.000 2.405 354 N HA 0.085 4.825 4.740 -0.000 0.000 0.175 354 N C 1.489 176.643 175.510 -0.594 0.000 1.051 354 N CA 1.010 53.650 53.050 -0.684 0.000 0.899 354 N CB 0.311 38.204 38.487 -0.991 0.000 1.000 354 N HN 0.506 nan 8.380 nan 0.000 0.451 355 G N 1.618 110.018 108.800 -0.666 0.000 2.333 355 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.296 355 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.296 355 G C -0.187 174.651 174.900 -0.104 0.000 1.059 355 G CA -0.274 44.561 45.100 -0.442 0.000 1.050 355 G HN 0.306 nan 8.290 nan 0.000 0.508 356 F N -0.134 119.929 119.950 0.189 0.000 2.602 356 F HA 0.232 4.759 4.527 0.000 0.000 0.367 356 F C 2.141 178.038 175.800 0.161 0.000 1.126 356 F CA 0.629 58.736 58.000 0.178 0.000 1.321 356 F CB 0.803 39.918 39.000 0.191 0.000 1.094 356 F HN 0.270 nan 8.300 nan 0.000 0.594 357 T N -0.264 114.475 114.554 0.308 0.000 3.014 357 T HA 0.591 4.941 4.350 -0.000 0.000 0.250 357 T C 0.170 175.018 174.700 0.247 0.000 1.060 357 T CA 0.287 62.506 62.100 0.199 0.000 1.040 357 T CB 0.280 69.201 68.868 0.088 0.000 0.971 357 T HN 0.749 nan 8.240 nan 0.000 0.497 358 A N 0.413 123.429 122.820 0.327 0.000 2.590 358 A HA 0.658 4.978 4.320 -0.000 0.000 0.294 358 A C -1.693 176.013 177.584 0.204 0.000 1.046 358 A CA -1.035 51.182 52.037 0.301 0.000 0.684 358 A CB 0.616 19.857 19.000 0.402 0.000 1.279 358 A HN 0.305 nan 8.150 nan 0.000 0.415 359 L N 0.325 121.583 121.223 0.059 0.000 2.313 359 L HA 0.866 5.206 4.340 -0.000 0.000 0.268 359 L C 0.394 177.277 176.870 0.021 0.000 1.010 359 L CA -0.937 53.883 54.840 -0.032 0.000 0.814 359 L CB 2.110 44.124 42.059 -0.075 0.000 1.304 359 L HN 0.978 nan 8.230 nan 0.000 0.441 360 A N 2.232 125.055 122.820 0.004 0.000 2.409 360 A HA 0.537 4.857 4.320 -0.000 0.000 0.300 360 A C -1.043 176.546 177.584 0.008 0.000 1.273 360 A CA -0.376 51.697 52.037 0.060 0.000 0.774 360 A CB 0.737 19.726 19.000 -0.018 0.000 1.144 360 A HN 0.487 nan 8.150 nan 0.000 0.472 361 L N 4.138 125.390 121.223 0.048 0.000 2.295 361 L HA 0.468 4.808 4.340 -0.000 0.000 0.288 361 L C 0.756 177.669 176.870 0.072 0.000 1.079 361 L CA 0.549 55.428 54.840 0.065 0.000 0.830 361 L CB 0.380 42.504 42.059 0.108 0.000 1.200 361 L HN 0.711 nan 8.230 nan 0.000 0.438 362 T N 0.932 115.509 114.554 0.038 0.000 2.934 362 T HA 0.454 4.804 4.350 -0.000 0.000 0.283 362 T C 0.182 174.918 174.700 0.061 0.000 1.005 362 T CA -0.749 61.368 62.100 0.027 0.000 1.041 362 T CB 1.011 69.862 68.868 -0.030 0.000 1.042 362 T HN 0.595 nan 8.240 nan 0.000 0.505 363 K N 0.029 120.475 120.400 0.077 0.000 3.096 363 K HA -0.164 4.156 4.320 -0.000 0.000 0.266 363 K C 0.547 177.286 176.600 0.231 0.000 1.043 363 K CA 0.415 56.788 56.287 0.144 0.000 0.758 363 K CB -1.868 30.721 32.500 0.148 0.000 1.260 363 K HN 0.514 nan 8.250 nan 0.000 0.481 364 L N 1.873 123.219 121.223 0.205 0.000 2.093 364 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 364 L C 2.302 179.367 176.870 0.325 0.000 1.085 364 L CA 2.373 57.375 54.840 0.270 0.000 0.755 364 L CB -0.203 41.958 42.059 0.169 0.000 0.904 364 L HN 0.406 nan 8.230 nan 0.000 0.435 365 D N -0.493 120.042 120.400 0.226 0.000 2.190 365 D HA -0.288 4.352 4.640 -0.000 0.000 0.200 365 D C 2.110 178.510 176.300 0.166 0.000 0.992 365 D CA 1.465 55.592 54.000 0.212 0.000 0.854 365 D CB -0.616 40.260 40.800 0.128 0.000 0.936 365 D HN 0.350 nan 8.370 nan 0.000 0.462 366 I N 0.897 121.552 120.570 0.143 0.000 2.315 366 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 366 I C 2.379 178.474 176.117 -0.037 0.000 1.125 366 I CA 0.886 62.211 61.300 0.041 0.000 1.392 366 I CB -0.360 37.692 38.000 0.087 0.000 1.065 366 I HN 0.063 nan 8.210 nan 0.000 0.424 367 L N -0.427 120.812 121.223 0.028 0.000 2.591 367 L HA -0.033 4.307 4.340 -0.000 0.000 0.228 367 L C 1.651 178.238 176.870 -0.471 0.000 1.133 367 L CA 0.078 54.799 54.840 -0.198 0.000 0.880 367 L CB -0.626 41.309 42.059 -0.206 0.000 1.033 367 L HN 0.164 nan 8.230 nan 0.000 0.450 368 D N 0.664 120.975 120.400 -0.149 0.000 2.172 368 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 368 D C 2.249 178.330 176.300 -0.365 0.000 0.999 368 D CA 1.859 55.749 54.000 -0.183 0.000 0.856 368 D CB -0.048 40.818 40.800 0.110 0.000 0.934 368 D HN 0.378 nan 8.370 nan 0.000 0.453 369 V N -1.276 118.479 119.914 -0.266 0.000 2.649 369 V HA 0.030 4.150 4.120 -0.000 0.000 0.248 369 V C 1.299 177.239 176.094 -0.257 0.000 1.054 369 V CA 0.192 62.361 62.300 -0.219 0.000 1.073 369 V CB -0.741 30.994 31.823 -0.147 0.000 0.699 369 V HN -0.007 nan 8.190 nan 0.000 0.463 370 L N 1.501 122.535 121.223 -0.316 0.000 2.514 370 L HA 0.072 4.412 4.340 -0.000 0.000 0.280 370 L C 1.694 178.396 176.870 -0.280 0.000 1.223 370 L CA 0.494 55.178 54.840 -0.260 0.000 0.864 370 L CB 0.618 42.540 42.059 -0.228 0.000 1.118 370 L HN 0.175 nan 8.230 nan 0.000 0.494 371 S N 0.738 116.332 115.700 -0.177 0.000 2.478 371 S HA 0.097 4.567 4.470 -0.000 0.000 0.222 371 S C 0.132 174.642 174.600 -0.150 0.000 1.008 371 S CA 0.384 58.493 58.200 -0.151 0.000 0.928 371 S CB 0.092 63.233 63.200 -0.099 0.000 0.781 371 S HN 0.610 nan 8.310 nan 0.000 0.518 372 E N 0.045 120.155 120.200 -0.151 0.000 2.343 372 E HA 0.463 4.813 4.350 -0.000 0.000 0.278 372 E C -1.535 174.935 176.600 -0.217 0.000 0.910 372 E CA -0.398 55.899 56.400 -0.173 0.000 0.757 372 E CB 2.243 31.852 29.700 -0.151 0.000 1.218 372 E HN 0.093 nan 8.360 nan 0.000 0.435 373 I N 2.332 122.714 120.570 -0.314 0.000 2.439 373 I HA 0.310 4.480 4.170 -0.000 0.000 0.285 373 I C -0.394 175.315 176.117 -0.680 0.000 1.021 373 I CA -0.685 60.358 61.300 -0.428 0.000 1.091 373 I CB 1.505 39.369 38.000 -0.226 0.000 1.242 373 I HN 0.152 nan 8.210 nan 0.000 0.439 374 K N 4.565 124.028 120.400 -1.562 0.000 2.118 374 K HA 0.703 5.023 4.320 -0.000 0.000 0.267 374 K C -0.961 175.259 176.600 -0.633 0.000 0.991 374 K CA -0.687 54.837 56.287 -1.272 0.000 0.916 374 K CB 2.723 34.040 32.500 -1.971 0.000 1.041 374 K HN 0.323 nan 8.250 nan 0.000 0.455 375 V N 1.160 120.999 119.914 -0.126 0.000 2.733 375 V HA 0.517 4.637 4.120 -0.000 0.000 0.306 375 V C -0.612 175.695 176.094 0.354 0.000 1.084 375 V CA -0.505 61.915 62.300 0.201 0.000 0.905 375 V CB 1.802 33.680 31.823 0.092 0.000 1.010 375 V HN 0.859 nan 8.190 nan 0.000 0.424 376 G N 5.439 114.459 108.800 0.366 0.000 2.358 376 G HA2 0.433 4.393 3.960 -0.000 0.000 0.273 376 G HA3 0.433 4.393 3.960 -0.000 0.000 0.273 376 G C 0.611 175.587 174.900 0.126 0.000 1.215 376 G CA 0.118 45.276 45.100 0.096 0.000 0.910 376 G HN 1.178 nan 8.290 nan 0.000 0.467 377 I N 0.493 121.111 120.570 0.081 0.000 3.526 377 I HA 0.333 4.503 4.170 -0.000 0.000 0.294 377 I C 0.810 176.949 176.117 0.037 0.000 1.229 377 I CA 0.113 61.474 61.300 0.101 0.000 1.408 377 I CB 0.236 38.328 38.000 0.153 0.000 1.127 377 I HN 0.484 nan 8.210 nan 0.000 0.439 378 S N -0.659 115.048 115.700 0.012 0.000 2.611 378 S HA 0.559 5.029 4.470 -0.000 0.000 0.268 378 S C -1.671 173.004 174.600 0.125 0.000 1.156 378 S CA -0.698 57.481 58.200 -0.035 0.000 0.817 378 S CB 1.563 64.769 63.200 0.010 0.000 1.122 378 S HN 0.120 nan 8.310 nan 0.000 0.466 379 Y N 1.026 121.329 120.300 0.006 0.000 2.352 379 Y HA 0.638 5.188 4.550 -0.000 0.000 0.339 379 Y C 0.396 176.278 175.900 -0.030 0.000 0.992 379 Y CA -1.392 56.697 58.100 -0.019 0.000 1.100 379 Y CB 1.486 39.933 38.460 -0.021 0.000 1.192 379 Y HN 0.639 nan 8.280 nan 0.000 0.458 380 K N 2.925 123.400 120.400 0.124 0.000 2.203 380 K HA 0.714 5.034 4.320 -0.000 0.000 0.251 380 K C -1.555 175.059 176.600 0.023 0.000 0.944 380 K CA -1.171 55.149 56.287 0.055 0.000 0.829 380 K CB 2.585 35.108 32.500 0.039 0.000 1.125 380 K HN 0.440 nan 8.250 nan 0.000 0.430 381 L N 2.764 123.991 121.223 0.007 0.000 2.438 381 L HA 0.326 4.666 4.340 -0.000 0.000 0.270 381 L C -0.705 176.161 176.870 -0.006 0.000 0.972 381 L CA -0.014 54.820 54.840 -0.009 0.000 0.831 381 L CB 1.338 43.385 42.059 -0.021 0.000 1.273 381 L HN 0.654 nan 8.230 nan 0.000 0.405 382 N N 3.955 122.653 118.700 -0.005 0.000 2.708 382 N HA -0.233 4.507 4.740 -0.000 0.000 0.249 382 N C 0.938 176.450 175.510 0.002 0.000 1.097 382 N CA 1.404 54.453 53.050 -0.002 0.000 0.710 382 N CB -1.235 37.250 38.487 -0.004 0.000 1.032 382 N HN 1.277 nan 8.380 nan 0.000 0.551 383 G N -1.792 107.012 108.800 0.006 0.000 2.317 383 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.227 383 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.227 383 G C 0.122 175.029 174.900 0.011 0.000 1.042 383 G CA 0.735 45.841 45.100 0.010 0.000 0.623 383 G HN 0.445 nan 8.290 nan 0.000 0.509 384 K N 0.995 121.398 120.400 0.005 0.000 2.174 384 K HA 0.626 4.946 4.320 -0.000 0.000 0.275 384 K C 0.555 177.156 176.600 0.003 0.000 1.015 384 K CA -0.574 55.715 56.287 0.003 0.000 0.933 384 K CB 1.058 33.555 32.500 -0.005 0.000 1.025 384 K HN 0.456 nan 8.250 nan 0.000 0.463 385 R N 3.640 124.143 120.500 0.005 0.000 2.389 385 R HA 0.194 4.534 4.340 -0.000 0.000 0.295 385 R C -0.032 176.256 176.300 -0.020 0.000 1.075 385 R CA -0.382 55.723 56.100 0.009 0.000 1.005 385 R CB 0.149 30.458 30.300 0.014 0.000 0.987 385 R HN 0.776 nan 8.270 nan 0.000 0.452 386 I N 3.660 124.216 120.570 -0.024 0.000 2.474 386 I HA 0.287 4.457 4.170 -0.000 0.000 0.287 386 I C -1.527 174.509 176.117 -0.135 0.000 1.048 386 I CA -1.954 59.284 61.300 -0.102 0.000 1.383 386 I CB 1.349 39.292 38.000 -0.095 0.000 1.412 386 I HN 0.628 nan 8.210 nan 0.000 0.531 387 P HA -0.065 nan 4.420 nan 0.000 0.219 387 P C -0.441 176.838 177.300 -0.035 0.000 1.150 387 P CA 1.487 64.489 63.100 -0.163 0.000 0.814 387 P CB -0.075 31.515 31.700 -0.184 0.000 0.787 388 Y N -4.703 115.628 120.300 0.052 0.000 2.689 388 Y HA 0.543 5.093 4.550 -0.000 0.000 0.333 388 Y C -0.610 175.342 175.900 0.086 0.000 1.208 388 Y CA -2.157 55.995 58.100 0.086 0.000 1.055 388 Y CB -0.119 38.406 38.460 0.109 0.000 1.304 388 Y HN -0.309 nan 8.280 nan 0.000 0.455 389 F N 5.488 125.549 119.950 0.184 0.000 2.602 389 F HA 0.294 4.821 4.527 -0.000 0.000 0.385 389 F C -1.960 173.889 175.800 0.082 0.000 1.063 389 F CA -1.928 56.071 58.000 -0.002 0.000 1.233 389 F CB 0.613 39.392 39.000 -0.369 0.000 1.067 389 F HN 0.296 nan 8.300 nan 0.000 0.564 390 P HA 0.105 nan 4.420 nan 0.000 0.271 390 P C -0.458 176.797 177.300 -0.075 0.000 1.220 390 P CA -0.029 62.977 63.100 -0.157 0.000 0.768 390 P CB 1.417 32.990 31.700 -0.211 0.000 0.848 391 A N 3.781 126.656 122.820 0.091 0.000 1.968 391 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 391 A C 1.218 178.870 177.584 0.114 0.000 1.169 391 A CA 0.820 52.937 52.037 0.134 0.000 0.638 391 A CB -0.824 18.259 19.000 0.138 0.000 0.812 391 A HN 0.637 nan 8.150 nan 0.000 0.446 392 N N 0.281 119.026 118.700 0.075 0.000 2.406 392 N HA 0.092 4.832 4.740 -0.000 0.000 0.251 392 N C 0.740 176.290 175.510 0.066 0.000 1.069 392 N CA -0.131 52.967 53.050 0.080 0.000 0.947 392 N CB 0.619 39.141 38.487 0.059 0.000 1.111 392 N HN 0.299 nan 8.380 nan 0.000 0.497 393 Q N 2.192 122.069 119.800 0.129 0.000 2.124 393 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 393 Q C 0.390 176.455 176.000 0.109 0.000 0.977 393 Q CA 1.307 57.203 55.803 0.154 0.000 0.850 393 Q CB 0.294 29.197 28.738 0.276 0.000 0.901 393 Q HN 0.656 nan 8.270 nan 0.000 0.429 394 E N 0.534 120.796 120.200 0.103 0.000 2.110 394 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 394 E C 2.076 178.690 176.600 0.024 0.000 0.988 394 E CA 0.640 57.083 56.400 0.071 0.000 0.804 394 E CB -0.283 29.460 29.700 0.071 0.000 0.745 394 E HN 0.460 nan 8.360 nan 0.000 0.458 395 I N 0.458 121.032 120.570 0.008 0.000 2.142 395 I HA -0.285 3.885 4.170 -0.000 0.000 0.240 395 I C 2.404 178.484 176.117 -0.061 0.000 1.078 395 I CA 0.652 61.937 61.300 -0.026 0.000 1.343 395 I CB -0.278 37.700 38.000 -0.036 0.000 1.046 395 I HN 0.106 nan 8.210 nan 0.000 0.405 396 L N 0.591 121.765 121.223 -0.082 0.000 2.197 396 L HA -0.275 4.065 4.340 -0.000 0.000 0.215 396 L C 2.368 179.176 176.870 -0.102 0.000 1.095 396 L CA 1.852 56.612 54.840 -0.133 0.000 0.764 396 L CB -0.714 41.287 42.059 -0.098 0.000 0.897 396 L HN 0.291 nan 8.230 nan 0.000 0.436 397 Q N -0.635 119.139 119.800 -0.044 0.000 2.488 397 Q HA -0.102 4.238 4.340 -0.000 0.000 0.211 397 Q C 1.505 177.473 176.000 -0.053 0.000 0.967 397 Q CA 0.876 56.656 55.803 -0.038 0.000 0.926 397 Q CB 0.175 28.904 28.738 -0.015 0.000 0.992 397 Q HN 0.590 nan 8.270 nan 0.000 0.506 398 K N -0.231 120.130 120.400 -0.065 0.000 2.402 398 K HA 0.114 4.434 4.320 -0.000 0.000 0.204 398 K C 0.565 177.119 176.600 -0.076 0.000 1.056 398 K CA -0.036 56.217 56.287 -0.056 0.000 1.069 398 K CB 1.185 33.664 32.500 -0.035 0.000 0.888 398 K HN -0.019 nan 8.250 nan 0.000 0.546 399 V N 0.144 119.980 119.914 -0.130 0.000 2.963 399 V HA 0.162 4.282 4.120 -0.000 0.000 0.306 399 V C -0.063 175.950 176.094 -0.136 0.000 1.077 399 V CA -0.532 61.678 62.300 -0.150 0.000 1.124 399 V CB 1.163 32.814 31.823 -0.287 0.000 0.987 399 V HN 0.141 nan 8.190 nan 0.000 0.487 400 E N 2.487 122.644 120.200 -0.072 0.000 2.134 400 E HA 0.488 4.838 4.350 -0.000 0.000 0.278 400 E C -0.968 175.613 176.600 -0.032 0.000 0.959 400 E CA -0.794 55.584 56.400 -0.037 0.000 0.783 400 E CB 1.809 31.510 29.700 0.001 0.000 1.095 400 E HN 0.765 nan 8.360 nan 0.000 0.399 401 V N 4.274 124.143 119.914 -0.074 0.000 2.555 401 V HA 0.067 4.187 4.120 -0.000 0.000 0.286 401 V C 0.426 176.399 176.094 -0.203 0.000 1.044 401 V CA -0.063 62.153 62.300 -0.140 0.000 1.026 401 V CB 1.051 32.647 31.823 -0.377 0.000 0.981 401 V HN 0.718 nan 8.190 nan 0.000 0.480 402 E N 3.647 123.773 120.200 -0.123 0.000 2.146 402 E HA 0.352 4.702 4.350 -0.000 0.000 0.282 402 E C -1.518 175.009 176.600 -0.121 0.000 0.989 402 E CA -0.500 55.867 56.400 -0.054 0.000 0.799 402 E CB 0.678 30.396 29.700 0.030 0.000 1.088 402 E HN 0.632 nan 8.360 nan 0.000 0.397 403 Y N 2.251 122.592 120.300 0.069 0.000 2.453 403 Y HA 0.348 4.898 4.550 0.000 0.000 0.326 403 Y C 0.107 176.000 175.900 -0.012 0.000 1.186 403 Y CA -0.804 57.306 58.100 0.017 0.000 1.200 403 Y CB 1.589 40.020 38.460 -0.049 0.000 1.247 403 Y HN 0.557 nan 8.280 nan 0.000 0.482 404 E N -0.026 120.263 120.200 0.148 0.000 2.248 404 E HA 0.489 4.839 4.350 -0.000 0.000 0.267 404 E C -1.595 174.927 176.600 -0.129 0.000 0.877 404 E CA -0.621 55.793 56.400 0.024 0.000 0.759 404 E CB 1.470 31.203 29.700 0.055 0.000 1.182 404 E HN 0.544 nan 8.360 nan 0.000 0.418 405 T N 4.548 119.012 114.554 -0.150 0.000 2.779 405 T HA 0.514 4.864 4.350 -0.000 0.000 0.280 405 T C -0.402 174.174 174.700 -0.207 0.000 0.987 405 T CA -0.596 61.365 62.100 -0.230 0.000 0.966 405 T CB 0.301 69.058 68.868 -0.186 0.000 0.933 405 T HN 0.352 nan 8.240 nan 0.000 0.442 406 L N 4.675 125.757 121.223 -0.234 0.000 2.319 406 L HA 0.594 4.934 4.340 -0.000 0.000 0.267 406 L C -2.150 174.662 176.870 -0.098 0.000 1.011 406 L CA -2.735 52.015 54.840 -0.150 0.000 0.818 406 L CB 2.082 44.061 42.059 -0.133 0.000 1.316 406 L HN 0.355 nan 8.230 nan 0.000 0.432 407 P HA 0.137 nan 4.420 nan 0.000 0.280 407 P C -0.290 176.997 177.300 -0.021 0.000 1.244 407 P CA -0.140 62.942 63.100 -0.030 0.000 0.784 407 P CB 1.263 32.969 31.700 0.010 0.000 0.913 408 G N 1.722 110.445 108.800 -0.130 0.000 2.572 408 G HA2 0.196 4.156 3.960 -0.000 0.000 0.261 408 G HA3 0.196 4.156 3.960 -0.000 0.000 0.261 408 G C 0.204 175.041 174.900 -0.104 0.000 1.197 408 G CA -0.769 44.148 45.100 -0.305 0.000 0.870 408 G HN 0.697 nan 8.290 nan 0.000 0.548 409 W N -1.691 119.570 121.300 -0.066 0.000 2.996 409 W HA 0.388 5.048 4.660 -0.000 0.000 0.270 409 W C 0.800 177.290 176.519 -0.048 0.000 1.280 409 W CA -0.721 56.592 57.345 -0.053 0.000 1.549 409 W CB -0.006 29.419 29.460 -0.057 0.000 1.079 409 W HN 0.448 nan 8.180 nan 0.000 0.629 410 K N 1.273 121.526 120.400 -0.245 0.000 3.490 410 K HA -0.022 4.298 4.320 -0.000 0.000 0.273 410 K C -0.143 176.467 176.600 0.017 0.000 0.916 410 K CA 0.718 56.916 56.287 -0.147 0.000 0.718 410 K CB -1.747 30.692 32.500 -0.101 0.000 1.477 410 K HN 0.429 nan 8.250 nan 0.000 0.452 411 A N 0.765 123.669 122.820 0.139 0.000 2.612 411 A HA 0.402 4.721 4.320 -0.000 0.000 0.293 411 A C -1.492 176.219 177.584 0.212 0.000 1.075 411 A CA -0.881 51.262 52.037 0.177 0.000 0.680 411 A CB 1.466 20.583 19.000 0.196 0.000 1.279 411 A HN 0.208 nan 8.150 nan 0.000 0.411 412 D N 1.569 122.041 120.400 0.119 0.000 2.336 412 D HA 0.316 4.956 4.640 -0.000 0.000 0.249 412 D C 1.341 177.695 176.300 0.090 0.000 1.213 412 D CA 0.820 54.881 54.000 0.101 0.000 0.870 412 D CB 0.907 41.741 40.800 0.056 0.000 1.076 412 D HN 0.557 nan 8.370 nan 0.000 0.483 413 T N -0.909 113.714 114.554 0.114 0.000 3.086 413 T HA -0.066 4.284 4.350 -0.000 0.000 0.250 413 T C 1.690 176.411 174.700 0.035 0.000 1.074 413 T CA 0.547 62.671 62.100 0.041 0.000 0.988 413 T CB -0.314 68.553 68.868 -0.001 0.000 0.988 413 T HN 0.364 nan 8.240 nan 0.000 0.530 414 T N -0.859 113.728 114.554 0.054 0.000 2.946 414 T HA 0.043 4.393 4.350 -0.000 0.000 0.271 414 T C 1.942 176.659 174.700 0.029 0.000 1.104 414 T CA 1.101 63.227 62.100 0.044 0.000 1.114 414 T CB -0.775 68.121 68.868 0.047 0.000 0.867 414 T HN 0.481 nan 8.240 nan 0.000 0.513 415 G N 0.368 109.181 108.800 0.021 0.000 3.126 415 G HA2 0.549 4.509 3.960 -0.000 0.000 0.224 415 G HA3 0.549 4.509 3.960 -0.000 0.000 0.224 415 G C 0.523 175.426 174.900 0.006 0.000 1.142 415 G CA -0.012 45.097 45.100 0.014 0.000 0.759 415 G HN 0.814 nan 8.290 nan 0.000 0.550 416 A N 0.354 123.173 122.820 -0.002 0.000 2.498 416 A HA 0.614 4.934 4.320 -0.000 0.000 0.239 416 A C 1.182 178.771 177.584 0.007 0.000 1.068 416 A CA 0.044 52.073 52.037 -0.014 0.000 0.766 416 A CB 0.507 19.482 19.000 -0.041 0.000 1.003 416 A HN 0.181 nan 8.150 nan 0.000 0.497 417 R N 0.094 120.601 120.500 0.012 0.000 2.555 417 R HA 0.143 4.483 4.340 -0.000 0.000 0.312 417 R C -0.417 175.909 176.300 0.044 0.000 0.938 417 R CA 0.554 56.671 56.100 0.029 0.000 1.112 417 R CB 0.156 30.471 30.300 0.025 0.000 1.535 417 R HN 0.913 nan 8.270 nan 0.000 0.525 418 K N -1.597 118.830 120.400 0.045 0.000 2.551 418 K HA 0.155 4.475 4.320 -0.000 0.000 0.269 418 K C 0.366 177.037 176.600 0.119 0.000 0.949 418 K CA -0.894 55.444 56.287 0.085 0.000 0.849 418 K CB 0.923 33.466 32.500 0.071 0.000 1.411 418 K HN -0.132 nan 8.250 nan 0.000 0.432 419 W N 1.891 123.172 121.300 -0.031 0.000 2.290 419 W HA -0.306 4.354 4.660 0.000 0.000 0.311 419 W C 0.648 177.146 176.519 -0.035 0.000 1.238 419 W CA 2.570 59.894 57.345 -0.034 0.000 1.255 419 W CB 0.139 29.584 29.460 -0.024 0.000 1.145 419 W HN 0.872 nan 8.180 nan 0.000 0.506 420 E N 0.618 120.793 120.200 -0.042 0.000 2.153 420 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 420 E C 1.514 177.994 176.600 -0.199 0.000 0.988 420 E CA 1.898 58.204 56.400 -0.158 0.000 0.811 420 E CB -0.691 28.995 29.700 -0.024 0.000 0.746 420 E HN 0.245 nan 8.360 nan 0.000 0.466 421 D N 0.224 120.539 120.400 -0.141 0.000 2.104 421 D HA -0.113 4.527 4.640 -0.000 0.000 0.194 421 D C 0.410 176.588 176.300 -0.203 0.000 0.994 421 D CA 0.567 54.489 54.000 -0.129 0.000 0.830 421 D CB -0.319 40.436 40.800 -0.076 0.000 0.959 421 D HN 0.179 nan 8.370 nan 0.000 0.452 422 L N 3.189 124.233 121.223 -0.298 0.000 2.601 422 L HA 0.039 4.379 4.340 -0.000 0.000 0.277 422 L C -1.702 174.926 176.870 -0.405 0.000 1.219 422 L CA -1.098 53.505 54.840 -0.395 0.000 0.915 422 L CB -0.259 41.486 42.059 -0.523 0.000 1.160 422 L HN 0.001 nan 8.230 nan 0.000 0.494 423 P HA 0.107 nan 4.420 nan 0.000 0.274 423 P C -2.261 174.898 177.300 -0.236 0.000 1.260 423 P CA -1.344 61.630 63.100 -0.209 0.000 0.793 423 P CB 0.085 31.738 31.700 -0.079 0.000 1.048 424 P HA -0.198 nan 4.420 nan 0.000 0.214 424 P C 1.770 179.055 177.300 -0.025 0.000 1.163 424 P CA 1.900 64.953 63.100 -0.078 0.000 0.889 424 P CB -0.159 31.531 31.700 -0.017 0.000 0.790 425 Q N -0.824 119.021 119.800 0.076 0.000 2.124 425 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 425 Q C 2.221 178.318 176.000 0.162 0.000 0.977 425 Q CA 1.927 57.857 55.803 0.211 0.000 0.850 425 Q CB -1.495 27.470 28.738 0.378 0.000 0.901 425 Q HN 0.178 nan 8.270 nan 0.000 0.429 426 A N 0.525 123.185 122.820 -0.267 0.000 1.877 426 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 426 A C 2.012 179.391 177.584 -0.342 0.000 1.186 426 A CA 1.625 53.095 52.037 -0.945 0.000 0.620 426 A CB -0.520 17.621 19.000 -1.432 0.000 0.822 426 A HN 0.420 nan 8.150 nan 0.000 0.443 427 Q N -0.354 119.268 119.800 -0.297 0.000 2.124 427 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 427 Q C 2.433 178.544 176.000 0.185 0.000 0.977 427 Q CA 1.659 57.373 55.803 -0.149 0.000 0.850 427 Q CB -0.240 28.231 28.738 -0.445 0.000 0.901 427 Q HN 0.642 nan 8.270 nan 0.000 0.429 428 S N 0.158 115.947 115.700 0.147 0.000 2.382 428 S HA -0.168 4.302 4.470 -0.000 0.000 0.228 428 S C 1.611 176.383 174.600 0.286 0.000 1.027 428 S CA 0.963 59.294 58.200 0.219 0.000 0.991 428 S CB -0.350 62.962 63.200 0.187 0.000 0.823 428 S HN 0.402 nan 8.310 nan 0.000 0.469 429 Y N 2.238 122.634 120.300 0.160 0.000 2.224 429 Y HA -0.147 4.403 4.550 0.000 0.000 0.289 429 Y C 2.196 178.237 175.900 0.234 0.000 1.146 429 Y CA 0.974 59.195 58.100 0.202 0.000 1.182 429 Y CB -0.407 38.200 38.460 0.245 0.000 0.983 429 Y HN 0.031 nan 8.280 nan 0.000 0.524 430 V N 0.448 120.532 119.914 0.283 0.000 2.427 430 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 430 V C 2.366 178.562 176.094 0.171 0.000 1.051 430 V CA 2.115 64.553 62.300 0.230 0.000 1.048 430 V CB -0.541 31.487 31.823 0.343 0.000 0.666 430 V HN 0.324 nan 8.190 nan 0.000 0.456 431 R N -0.964 119.667 120.500 0.218 0.000 2.066 431 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 431 R C 2.282 178.661 176.300 0.132 0.000 1.131 431 R CA 1.765 57.957 56.100 0.152 0.000 0.955 431 R CB -0.584 29.824 30.300 0.181 0.000 0.851 431 R HN 0.495 nan 8.270 nan 0.000 0.432 432 F N 1.461 121.424 119.950 0.022 0.000 2.120 432 F HA -0.270 4.257 4.527 0.000 0.000 0.300 432 F C 2.102 177.879 175.800 -0.039 0.000 1.095 432 F CA 1.454 59.447 58.000 -0.012 0.000 1.249 432 F CB -0.125 38.798 39.000 -0.128 0.000 0.995 432 F HN -0.258 nan 8.300 nan 0.000 0.480 433 V N -0.215 119.728 119.914 0.049 0.000 2.427 433 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 433 V C 2.250 178.323 176.094 -0.036 0.000 1.051 433 V CA 2.140 64.430 62.300 -0.016 0.000 1.048 433 V CB -0.658 31.153 31.823 -0.019 0.000 0.666 433 V HN 0.340 nan 8.190 nan 0.000 0.456 434 E N 0.503 120.691 120.200 -0.021 0.000 2.007 434 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 434 E C 2.219 178.775 176.600 -0.072 0.000 0.999 434 E CA 1.625 58.000 56.400 -0.041 0.000 0.811 434 E CB -0.115 29.568 29.700 -0.030 0.000 0.762 434 E HN 0.580 nan 8.360 nan 0.000 0.450 435 N N 0.133 118.788 118.700 -0.074 0.000 2.036 435 N HA -0.192 4.548 4.740 -0.000 0.000 0.195 435 N C 1.733 177.126 175.510 -0.194 0.000 1.037 435 N CA 1.510 54.486 53.050 -0.122 0.000 0.855 435 N CB -0.775 37.646 38.487 -0.110 0.000 1.033 435 N HN 0.300 nan 8.380 nan 0.000 0.423 436 H N -0.397 118.479 119.070 -0.324 0.000 2.543 436 H HA 0.157 4.713 4.556 0.000 0.000 0.286 436 H C 1.579 176.805 175.328 -0.170 0.000 1.037 436 H CA 0.788 56.659 56.048 -0.296 0.000 1.250 436 H CB 0.036 29.525 29.762 -0.456 0.000 1.373 436 H HN 0.219 nan 8.280 nan 0.000 0.580 437 M N -2.038 117.521 119.600 -0.068 0.000 2.331 437 M HA 0.188 4.668 4.480 -0.000 0.000 0.266 437 M C 1.304 177.519 176.300 -0.141 0.000 1.055 437 M CA 0.597 55.846 55.300 -0.084 0.000 1.048 437 M CB 1.156 33.706 32.600 -0.084 0.000 1.460 437 M HN 0.421 nan 8.290 nan 0.000 0.519 438 G N 1.346 110.071 108.800 -0.126 0.000 2.175 438 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.265 438 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.265 438 G C -0.000 174.816 174.900 -0.140 0.000 0.979 438 G CA 0.404 45.435 45.100 -0.115 0.000 0.663 438 G HN 0.365 nan 8.290 nan 0.000 0.533 439 V N 0.172 119.979 119.914 -0.180 0.000 2.667 439 V HA 0.856 4.976 4.120 -0.000 0.000 0.308 439 V C 0.676 176.727 176.094 -0.073 0.000 1.048 439 V CA -0.575 61.631 62.300 -0.157 0.000 0.928 439 V CB 1.768 33.443 31.823 -0.248 0.000 1.004 439 V HN 1.040 nan 8.190 nan 0.000 0.444 440 A N 3.024 125.833 122.820 -0.018 0.000 2.316 440 A HA 0.689 5.009 4.320 -0.000 0.000 0.284 440 A C -0.347 177.291 177.584 0.091 0.000 1.115 440 A CA -0.401 51.654 52.037 0.030 0.000 0.812 440 A CB 0.844 19.854 19.000 0.016 0.000 1.064 440 A HN 0.709 nan 8.150 nan 0.000 0.489 441 V N 3.029 122.986 119.914 0.072 0.000 2.368 441 V HA 0.172 4.292 4.120 -0.000 0.000 0.266 441 V C 1.215 177.249 176.094 -0.100 0.000 1.045 441 V CA 0.051 62.354 62.300 0.005 0.000 0.899 441 V CB 0.849 32.672 31.823 0.001 0.000 1.006 441 V HN 1.109 nan 8.190 nan 0.000 0.470 442 K N 4.141 124.313 120.400 -0.381 0.000 2.334 442 K HA 0.118 4.438 4.320 -0.000 0.000 0.195 442 K C -0.154 175.784 176.600 -1.104 0.000 1.045 442 K CA 0.330 55.880 56.287 -1.228 0.000 1.004 442 K CB 0.531 32.044 32.500 -1.644 0.000 0.837 442 K HN 0.588 nan 8.250 nan 0.000 0.510 443 W N 0.533 121.630 121.300 -0.338 0.000 3.138 443 W HA 0.377 5.037 4.660 -0.000 0.000 0.331 443 W C -1.384 175.062 176.519 -0.123 0.000 1.166 443 W CA -0.897 56.307 57.345 -0.236 0.000 1.212 443 W CB 1.682 30.988 29.460 -0.257 0.000 1.399 443 W HN -0.468 nan 8.180 nan 0.000 0.514 444 V N 1.763 121.778 119.914 0.168 0.000 2.444 444 V HA 0.581 4.701 4.120 -0.000 0.000 0.294 444 V C 0.395 176.548 176.094 0.099 0.000 1.022 444 V CA -0.675 61.698 62.300 0.122 0.000 0.850 444 V CB 1.564 33.460 31.823 0.122 0.000 0.992 444 V HN 0.614 nan 8.190 nan 0.000 0.426 445 G N 2.444 111.288 108.800 0.074 0.000 2.338 445 G HA2 0.492 4.452 3.960 -0.000 0.000 0.298 445 G HA3 0.492 4.452 3.960 -0.000 0.000 0.298 445 G C 0.440 175.375 174.900 0.058 0.000 1.140 445 G CA 0.040 45.168 45.100 0.046 0.000 0.860 445 G HN 1.012 nan 8.290 nan 0.000 0.470 446 V N 0.184 120.127 119.914 0.048 0.000 3.432 446 V HA 0.701 4.821 4.120 -0.000 0.000 0.298 446 V C 0.797 176.921 176.094 0.051 0.000 1.464 446 V CA 0.417 62.749 62.300 0.054 0.000 1.046 446 V CB -0.073 31.774 31.823 0.039 0.000 0.887 446 V HN 1.044 nan 8.190 nan 0.000 0.441 447 G N -0.078 108.745 108.800 0.039 0.000 2.548 447 G HA2 0.416 4.376 3.960 -0.000 0.000 0.301 447 G HA3 0.416 4.376 3.960 -0.000 0.000 0.301 447 G C -0.392 174.520 174.900 0.020 0.000 1.349 447 G CA -0.223 44.898 45.100 0.035 0.000 0.792 447 G HN -0.066 nan 8.290 nan 0.000 0.481 448 K N -0.349 120.062 120.400 0.019 0.000 2.211 448 K HA 0.123 4.443 4.320 -0.000 0.000 0.201 448 K C 1.678 178.278 176.600 -0.001 0.000 1.052 448 K CA 0.947 57.237 56.287 0.004 0.000 0.973 448 K CB 0.049 32.551 32.500 0.004 0.000 0.766 448 K HN 0.530 nan 8.250 nan 0.000 0.466 449 S N 0.871 116.575 115.700 0.006 0.000 2.593 449 S HA 0.082 4.552 4.470 -0.000 0.000 0.269 449 S C 1.047 175.648 174.600 0.001 0.000 1.334 449 S CA -0.633 57.572 58.200 0.009 0.000 1.015 449 S CB 1.751 64.959 63.200 0.013 0.000 0.912 449 S HN 0.232 nan 8.310 nan 0.000 0.541 450 R N 1.359 121.862 120.500 0.005 0.000 2.103 450 R HA -0.174 4.166 4.340 -0.000 0.000 0.242 450 R C 2.126 178.421 176.300 -0.010 0.000 1.142 450 R CA 2.040 58.133 56.100 -0.011 0.000 0.960 450 R CB -0.469 29.833 30.300 0.003 0.000 0.858 450 R HN 0.933 nan 8.270 nan 0.000 0.439 451 E N 0.084 120.288 120.200 0.007 0.000 2.268 451 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 451 E C 0.499 177.108 176.600 0.016 0.000 0.995 451 E CA 0.791 57.199 56.400 0.014 0.000 0.836 451 E CB -0.119 29.592 29.700 0.018 0.000 0.763 451 E HN 0.114 nan 8.360 nan 0.000 0.491 452 S N 1.288 116.996 115.700 0.012 0.000 3.544 452 S HA 0.167 4.637 4.470 -0.000 0.000 0.227 452 S C 0.179 174.791 174.600 0.020 0.000 1.387 452 S CA 0.171 58.382 58.200 0.018 0.000 1.182 452 S CB -0.403 62.808 63.200 0.019 0.000 1.243 452 S HN 0.195 nan 8.310 nan 0.000 0.467 453 M N 1.439 121.056 119.600 0.030 0.000 2.572 453 M HA 0.553 5.033 4.480 -0.000 0.000 0.299 453 M C -1.017 175.337 176.300 0.090 0.000 1.205 453 M CA -0.581 54.752 55.300 0.056 0.000 0.876 453 M CB 2.035 34.656 32.600 0.035 0.000 1.728 453 M HN 0.083 nan 8.290 nan 0.000 0.458 454 I N 1.693 122.338 120.570 0.126 0.000 2.466 454 I HA 0.256 4.426 4.170 -0.000 0.000 0.279 454 I C -0.273 175.898 176.117 0.091 0.000 1.033 454 I CA -0.535 60.828 61.300 0.106 0.000 1.123 454 I CB 1.857 39.919 38.000 0.102 0.000 1.237 454 I HN 0.626 nan 8.210 nan 0.000 0.460 455 Q N 6.018 125.841 119.800 0.039 0.000 2.307 455 Q HA 0.285 4.625 4.340 -0.000 0.000 0.259 455 Q C 0.188 176.034 176.000 -0.257 0.000 0.998 455 Q CA -0.192 55.474 55.803 -0.229 0.000 0.923 455 Q CB 1.058 29.677 28.738 -0.199 0.000 1.196 455 Q HN 0.753 nan 8.270 nan 0.000 0.416 456 L N 5.181 126.160 121.223 -0.407 0.000 2.554 456 L HA 0.200 4.540 4.340 -0.000 0.000 0.226 456 L C -0.119 176.657 176.870 -0.156 0.000 1.137 456 L CA 0.078 54.765 54.840 -0.255 0.000 0.863 456 L CB -0.590 41.318 42.059 -0.251 0.000 0.985 456 L HN 0.657 nan 8.230 nan 0.000 0.451 457 F N 0.000 119.760 119.950 -0.317 0.000 2.286 457 F HA 0.000 4.527 4.527 0.000 0.000 0.279 457 F CA 0.000 57.842 58.000 -0.263 0.000 1.383 457 F CB 0.000 38.846 39.000 -0.257 0.000 1.145 457 F HN 0.000 nan 8.300 nan 0.000 0.574