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 2j0j_1_A DATA FIRST_RESID 35 DATA SEQUENCE RVLKVFHYFE NSSEPTTWAS IIRHGDATDV RGIIQKIVDC HKVKNVACYG DATA SEQUENCE LRLSHLQSEE VHWLHLDMGV SNVREKFELA HPPEEWKYEL RIRYLPKGFL DATA SEQUENCE NQFTEDKPTL NFFYQQVKND YMLEIADQVD QEIALKLGCL EIRRSYGEMR DATA SEQUENCE GNALEKKSNY EVLEKDVGLR RFFPKSLLDS VKAKTLRKLI QQTFRQFANL DATA SEQUENCE NREESILKFF EILSPVYRFD KECFKCALGS SWIISVELAI GPEEGISYLT DATA SEQUENCE DKGANPTHLA DFNQVQTIQY SNSEDKDRKG MLQLKIAGAP EPLTVTAPSL DATA SEQUENCE TIAENMADLI DGYCRLVNGA TQSFIIRPXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXT DDYAEIIDEE DTYTMPSTRD YEIQRERIEL GRCIGEGQFG DATA SEQUENCE DVHQGIYMSP ENPAMAVAIK TCKNCTSDSV REKFLQEALT MRQFDHPHIV DATA SEQUENCE KLIGVITENP VWIIMELCTL GELRSFLQVR KFSLDLASLI LYAYQLSTAL DATA SEQUENCE AYLESKRFVH RDIAARNVLV SSNDCVKLGD FGLSRYMEDX XXXXXXXXXL DATA SEQUENCE PIKWMAPESI NFRRFTSASD VWMFGVCMWE ILMHGVKPFQ GVKNNDVIGR DATA SEQUENCE IENGERLPMP PNCPPTLYSL MTKCWAYDPS RRPRFTELKA QLSTILEEEK DATA SEQUENCE LQ 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 35 R HA 0.000 nan 4.340 nan 0.000 0.208 35 R C 0.000 176.310 176.300 0.017 0.000 0.893 35 R CA 0.000 55.988 56.100 -0.187 0.000 0.921 35 R CB 0.000 30.370 30.300 0.117 0.000 0.687 36 V N -0.009 119.985 119.914 0.134 0.000 3.329 36 V HA 0.896 5.020 4.120 0.007 0.000 0.308 36 V C -1.610 174.523 176.094 0.064 0.000 1.375 36 V CA -0.179 62.237 62.300 0.194 0.000 1.015 36 V CB 2.208 34.098 31.823 0.113 0.000 1.155 36 V HN 0.764 nan 8.190 nan 0.000 0.479 37 L N 0.958 122.162 121.223 -0.032 0.000 2.830 37 L HA 0.516 4.861 4.340 0.007 0.000 0.259 37 L C -1.502 175.267 176.870 -0.169 0.000 0.926 37 L CA -0.358 54.382 54.840 -0.166 0.000 0.993 37 L CB 1.574 43.419 42.059 -0.356 0.000 1.589 37 L HN 0.776 nan 8.230 nan 0.000 0.460 38 K N 3.838 124.141 120.400 -0.162 0.000 2.263 38 K HA 0.694 5.018 4.320 0.007 0.000 0.272 38 K C -1.477 175.020 176.600 -0.171 0.000 1.033 38 K CA -0.651 55.524 56.287 -0.186 0.000 0.884 38 K CB 1.494 33.868 32.500 -0.211 0.000 1.107 38 K HN 0.581 nan 8.250 nan 0.000 0.460 39 V N 6.328 126.155 119.914 -0.146 0.000 2.311 39 V HA 0.275 4.399 4.120 0.007 0.000 0.275 39 V C -0.280 175.793 176.094 -0.035 0.000 1.022 39 V CA -0.750 61.556 62.300 0.009 0.000 0.830 39 V CB 0.127 32.003 31.823 0.088 0.000 1.012 39 V HN 0.604 nan 8.190 nan 0.000 0.452 40 F N 5.726 125.700 119.950 0.041 0.000 2.459 40 F HA 0.413 4.944 4.527 0.007 0.000 0.346 40 F C 1.137 176.885 175.800 -0.087 0.000 1.128 40 F CA 0.365 58.301 58.000 -0.107 0.000 1.268 40 F CB 0.421 39.333 39.000 -0.148 0.000 1.161 40 F HN 0.704 nan 8.300 nan 0.000 0.583 41 H N 0.038 119.112 119.070 0.007 0.000 3.110 41 H HA 0.300 4.860 4.556 0.007 0.000 0.277 41 H C -1.490 173.444 175.328 -0.658 0.000 1.571 41 H CA -0.829 55.114 56.048 -0.175 0.000 1.206 41 H CB 0.994 30.883 29.762 0.213 0.000 1.852 41 H HN 0.591 nan 8.280 nan 0.000 0.629 42 Y N -0.460 119.551 120.300 -0.481 0.000 2.719 42 Y HA 0.297 4.851 4.550 0.007 0.000 0.251 42 Y C -0.514 174.971 175.900 -0.691 0.000 1.159 42 Y CA -0.573 57.049 58.100 -0.796 0.000 1.166 42 Y CB 0.417 38.005 38.460 -1.452 0.000 1.219 42 Y HN 0.215 nan 8.280 nan 0.000 0.551 43 F N 1.895 121.893 119.950 0.080 0.000 2.462 43 F HA 0.136 4.667 4.527 0.007 0.000 0.360 43 F C 0.938 176.424 175.800 -0.524 0.000 1.134 43 F CA -0.573 57.292 58.000 -0.225 0.000 1.148 43 F CB 0.184 38.747 39.000 -0.728 0.000 1.147 43 F HN 0.064 nan 8.300 nan 0.000 0.550 44 E N 2.642 122.573 120.200 -0.449 0.000 2.604 44 E HA -0.126 4.228 4.350 0.007 0.000 0.267 44 E C -0.231 175.985 176.600 -0.640 0.000 0.970 44 E CA 0.572 56.493 56.400 -0.798 0.000 0.956 44 E CB 0.407 29.925 29.700 -0.303 0.000 0.939 44 E HN 0.585 nan 8.360 nan 0.000 0.465 45 N N -0.347 117.906 118.700 -0.744 0.000 2.636 45 N HA -0.030 4.714 4.740 0.007 0.000 0.261 45 N C -0.763 174.824 175.510 0.127 0.000 1.195 45 N CA -0.392 52.518 53.050 -0.234 0.000 0.902 45 N CB 1.389 39.762 38.487 -0.191 0.000 1.627 45 N HN 0.171 nan 8.380 nan 0.000 0.491 46 S N 0.768 116.521 115.700 0.088 0.000 2.942 46 S HA 0.178 4.652 4.470 0.007 0.000 0.244 46 S C 0.124 174.947 174.600 0.372 0.000 1.011 46 S CA 0.026 58.292 58.200 0.111 0.000 1.102 46 S CB -1.404 61.690 63.200 -0.176 0.000 0.812 46 S HN 0.689 nan 8.310 nan 0.000 0.486 47 S N -0.224 115.847 115.700 0.618 0.000 2.722 47 S HA 0.548 5.022 4.470 0.007 0.000 0.292 47 S C -0.348 174.441 174.600 0.315 0.000 1.135 47 S CA -0.816 57.685 58.200 0.503 0.000 1.003 47 S CB 0.758 64.237 63.200 0.464 0.000 1.067 47 S HN 0.357 nan 8.310 nan 0.000 0.546 48 E N 1.532 121.782 120.200 0.083 0.000 2.558 48 E HA 0.138 4.492 4.350 0.007 0.000 0.255 48 E C -1.845 174.469 176.600 -0.477 0.000 0.968 48 E CA -1.355 54.967 56.400 -0.130 0.000 0.939 48 E CB 0.486 30.123 29.700 -0.105 0.000 0.921 48 E HN 0.394 nan 8.360 nan 0.000 0.477 49 P HA -0.180 nan 4.420 nan 0.000 0.218 49 P C 1.022 177.617 177.300 -1.174 0.000 1.148 49 P CA 1.800 63.784 63.100 -1.860 0.000 0.822 49 P CB -0.055 30.855 31.700 -1.316 0.000 0.784 50 T N -2.893 111.303 114.554 -0.598 0.000 2.721 50 T HA -0.200 4.154 4.350 0.007 0.000 0.268 50 T C 1.453 176.070 174.700 -0.138 0.000 1.038 50 T CA 2.107 64.000 62.100 -0.345 0.000 1.145 50 T CB -1.952 66.766 68.868 -0.249 0.000 0.858 50 T HN 0.254 nan 8.240 nan 0.000 0.459 51 T N -1.895 112.576 114.554 -0.140 0.000 3.284 51 T HA 0.248 4.602 4.350 0.007 0.000 0.249 51 T C -0.642 174.141 174.700 0.138 0.000 0.944 51 T CA -1.024 61.121 62.100 0.075 0.000 0.919 51 T CB -0.743 68.149 68.868 0.039 0.000 1.089 51 T HN 0.376 nan 8.240 nan 0.000 0.576 52 W N 2.111 123.397 121.300 -0.023 0.000 2.317 52 W HA 0.771 5.435 4.660 0.006 0.000 0.327 52 W C 0.120 176.307 176.519 -0.552 0.000 1.036 52 W CA -1.737 55.474 57.345 -0.225 0.000 1.419 52 W CB -0.244 29.069 29.460 -0.245 0.000 1.253 52 W HN 0.485 nan 8.180 nan 0.000 0.392 53 A N 2.109 124.753 122.820 -0.292 0.000 2.564 53 A HA 0.903 5.227 4.320 0.007 0.000 0.288 53 A C -0.783 176.814 177.584 0.021 0.000 1.164 53 A CA -0.649 51.148 52.037 -0.400 0.000 0.712 53 A CB 1.335 19.937 19.000 -0.663 0.000 1.303 53 A HN 0.181 nan 8.150 nan 0.000 0.418 54 S N -0.545 115.231 115.700 0.127 0.000 2.568 54 S HA 0.714 5.188 4.470 0.007 0.000 0.293 54 S C -1.063 173.532 174.600 -0.008 0.000 1.089 54 S CA -0.375 57.894 58.200 0.115 0.000 0.945 54 S CB 1.282 64.589 63.200 0.178 0.000 1.077 54 S HN 0.498 nan 8.310 nan 0.000 0.485 55 I N 2.105 122.662 120.570 -0.021 0.000 2.354 55 I HA 0.422 4.596 4.170 0.007 0.000 0.286 55 I C -1.154 174.952 176.117 -0.018 0.000 1.007 55 I CA -0.253 61.022 61.300 -0.041 0.000 1.167 55 I CB 0.619 38.593 38.000 -0.043 0.000 1.320 55 I HN 0.435 nan 8.210 nan 0.000 0.458 56 I N 5.490 126.050 120.570 -0.016 0.000 2.389 56 I HA 0.430 4.604 4.170 0.007 0.000 0.288 56 I C 0.318 176.494 176.117 0.099 0.000 0.999 56 I CA -0.603 60.704 61.300 0.011 0.000 1.129 56 I CB 1.231 39.222 38.000 -0.015 0.000 1.288 56 I HN 0.424 nan 8.210 nan 0.000 0.444 57 R N 5.982 126.571 120.500 0.147 0.000 2.248 57 R HA 0.254 4.598 4.340 0.007 0.000 0.328 57 R C -0.660 175.889 176.300 0.415 0.000 1.067 57 R CA -0.433 55.834 56.100 0.279 0.000 0.924 57 R CB 0.288 30.773 30.300 0.308 0.000 1.013 57 R HN 0.699 nan 8.270 nan 0.000 0.454 58 H N 1.933 121.113 119.070 0.183 0.000 2.472 58 H HA 0.454 5.014 4.556 0.007 0.000 0.338 58 H C -0.117 175.313 175.328 0.170 0.000 1.133 58 H CA -1.018 55.151 56.048 0.203 0.000 1.216 58 H CB 1.399 31.207 29.762 0.077 0.000 1.497 58 H HN 0.688 nan 8.280 nan 0.000 0.500 59 G N 1.067 109.977 108.800 0.184 0.000 2.504 59 G HA2 -0.022 3.942 3.960 0.007 0.000 0.288 59 G HA3 -0.022 3.942 3.960 0.007 0.000 0.288 59 G C 0.604 175.495 174.900 -0.015 0.000 1.182 59 G CA -0.227 44.849 45.100 -0.039 0.000 0.894 59 G HN 0.765 nan 8.290 nan 0.000 0.521 60 D N 0.971 121.339 120.400 -0.054 0.000 2.349 60 D HA -0.199 4.445 4.640 0.007 0.000 0.215 60 D C 2.292 178.624 176.300 0.053 0.000 1.075 60 D CA 1.823 55.812 54.000 -0.018 0.000 0.934 60 D CB -0.311 40.473 40.800 -0.027 0.000 1.234 60 D HN 0.371 nan 8.370 nan 0.000 0.492 61 A N 0.391 123.238 122.820 0.045 0.000 2.233 61 A HA 0.161 4.485 4.320 0.007 0.000 0.230 61 A C 0.502 178.128 177.584 0.071 0.000 1.347 61 A CA 0.179 52.249 52.037 0.056 0.000 1.087 61 A CB -0.780 18.242 19.000 0.036 0.000 0.871 61 A HN 0.238 nan 8.150 nan 0.000 0.519 62 T N 2.310 116.926 114.554 0.103 0.000 2.916 62 T HA 0.312 4.666 4.350 0.007 0.000 0.303 62 T C 0.173 174.926 174.700 0.090 0.000 1.025 62 T CA 0.048 62.212 62.100 0.106 0.000 1.142 62 T CB 0.577 69.541 68.868 0.160 0.000 0.947 62 T HN 0.674 nan 8.240 nan 0.000 0.544 63 D N 1.947 122.383 120.400 0.059 0.000 2.440 63 D HA 0.224 4.869 4.640 0.007 0.000 0.258 63 D C 1.318 177.642 176.300 0.039 0.000 1.092 63 D CA -0.961 53.067 54.000 0.047 0.000 1.016 63 D CB 0.540 41.357 40.800 0.029 0.000 1.141 63 D HN 0.198 nan 8.370 nan 0.000 0.552 64 V N 0.393 120.336 119.914 0.048 0.000 2.324 64 V HA -0.275 3.849 4.120 0.007 0.000 0.250 64 V C 2.748 178.873 176.094 0.052 0.000 1.060 64 V CA 2.433 64.771 62.300 0.064 0.000 1.042 64 V CB -0.793 31.093 31.823 0.105 0.000 0.650 64 V HN 0.660 nan 8.190 nan 0.000 0.450 65 R N 0.143 120.659 120.500 0.027 0.000 2.094 65 R HA -0.200 4.145 4.340 0.007 0.000 0.239 65 R C 2.375 178.685 176.300 0.017 0.000 1.137 65 R CA 2.210 58.321 56.100 0.018 0.000 0.943 65 R CB -0.999 29.296 30.300 -0.009 0.000 0.850 65 R HN 0.524 nan 8.270 nan 0.000 0.433 66 G N 1.915 110.723 108.800 0.013 0.000 2.513 66 G HA2 -0.272 3.692 3.960 0.007 0.000 0.219 66 G HA3 -0.272 3.692 3.960 0.007 0.000 0.219 66 G C 1.466 176.365 174.900 -0.000 0.000 1.160 66 G CA 1.127 46.232 45.100 0.007 0.000 0.767 66 G HN 0.248 nan 8.290 nan 0.000 0.571 67 I N 1.029 121.602 120.570 0.006 0.000 2.069 67 I HA -0.179 3.995 4.170 0.007 0.000 0.237 67 I C 2.903 179.022 176.117 0.004 0.000 1.053 67 I CA 1.227 62.525 61.300 -0.004 0.000 1.311 67 I CB -1.262 36.734 38.000 -0.007 0.000 1.030 67 I HN 0.167 nan 8.210 nan 0.000 0.398 68 I N 0.375 120.963 120.570 0.030 0.000 2.145 68 I HA -0.388 3.786 4.170 0.007 0.000 0.244 68 I C 2.808 178.910 176.117 -0.025 0.000 1.075 68 I CA 1.663 62.979 61.300 0.028 0.000 1.332 68 I CB -0.438 37.610 38.000 0.079 0.000 1.033 68 I HN 0.388 nan 8.210 nan 0.000 0.410 69 Q N 0.775 120.563 119.800 -0.021 0.000 2.077 69 Q HA -0.266 4.079 4.340 0.007 0.000 0.206 69 Q C 2.208 178.165 176.000 -0.072 0.000 0.989 69 Q CA 1.685 57.462 55.803 -0.043 0.000 0.853 69 Q CB 0.105 28.825 28.738 -0.030 0.000 0.907 69 Q HN 0.281 nan 8.270 nan 0.000 0.418 70 K N 0.369 120.727 120.400 -0.069 0.000 2.026 70 K HA -0.116 4.208 4.320 0.007 0.000 0.208 70 K C 2.110 178.640 176.600 -0.118 0.000 1.048 70 K CA 1.298 57.528 56.287 -0.095 0.000 0.929 70 K CB -0.509 31.935 32.500 -0.093 0.000 0.713 70 K HN 0.365 nan 8.250 nan 0.000 0.439 71 I N 1.400 121.920 120.570 -0.083 0.000 2.118 71 I HA -0.272 3.902 4.170 0.007 0.000 0.241 71 I C 2.379 178.415 176.117 -0.134 0.000 1.070 71 I CA 1.480 62.738 61.300 -0.069 0.000 1.327 71 I CB -0.755 37.264 38.000 0.032 0.000 1.034 71 I HN -0.056 nan 8.210 nan 0.000 0.405 72 V N -1.459 118.348 119.914 -0.178 0.000 2.759 72 V HA -0.179 3.945 4.120 0.007 0.000 0.256 72 V C 1.662 177.597 176.094 -0.264 0.000 1.080 72 V CA 1.907 64.037 62.300 -0.284 0.000 1.101 72 V CB -0.701 30.901 31.823 -0.368 0.000 0.698 72 V HN 0.281 nan 8.190 nan 0.000 0.477 73 D N -0.469 119.800 120.400 -0.217 0.000 2.277 73 D HA -0.002 4.642 4.640 0.007 0.000 0.208 73 D C 2.008 178.145 176.300 -0.273 0.000 0.962 73 D CA 1.202 55.083 54.000 -0.198 0.000 0.865 73 D CB -0.386 40.327 40.800 -0.145 0.000 0.939 73 D HN 0.547 nan 8.370 nan 0.000 0.510 74 C N 0.284 119.348 119.300 -0.392 0.000 2.419 74 C HA -0.107 4.358 4.460 0.007 0.000 0.281 74 C C 1.614 176.138 174.990 -0.776 0.000 1.336 74 C CA 0.651 59.308 59.018 -0.603 0.000 1.770 74 C CB -0.864 26.388 27.740 -0.813 0.000 1.929 74 C HN 0.446 nan 8.230 nan 0.000 0.509 75 H N -0.467 118.334 119.070 -0.447 0.000 2.581 75 H HA 0.101 4.661 4.556 0.007 0.000 0.275 75 H C 0.359 175.507 175.328 -0.299 0.000 1.126 75 H CA 0.116 55.868 56.048 -0.493 0.000 1.097 75 H CB 0.194 29.314 29.762 -1.071 0.000 1.626 75 H HN 0.354 nan 8.280 nan 0.000 0.565 76 K N -0.057 120.246 120.400 -0.162 0.000 3.160 76 K HA -0.129 4.195 4.320 0.007 0.000 0.280 76 K C 0.082 176.653 176.600 -0.049 0.000 1.154 76 K CA 0.170 56.403 56.287 -0.090 0.000 0.822 76 K CB -2.653 29.812 32.500 -0.058 0.000 1.239 76 K HN 0.092 nan 8.250 nan 0.000 0.489 77 V N 1.518 121.392 119.914 -0.067 0.000 2.599 77 V HA -0.078 4.046 4.120 0.007 0.000 0.300 77 V C 1.954 178.058 176.094 0.017 0.000 1.034 77 V CA 0.660 62.956 62.300 -0.007 0.000 1.115 77 V CB 0.822 32.620 31.823 -0.041 0.000 0.934 77 V HN 0.295 nan 8.190 nan 0.000 0.485 78 K N 3.047 123.482 120.400 0.058 0.000 2.054 78 K HA 0.100 4.424 4.320 0.007 0.000 0.207 78 K C 0.760 177.418 176.600 0.096 0.000 1.031 78 K CA 0.467 56.794 56.287 0.068 0.000 0.952 78 K CB -0.032 32.517 32.500 0.081 0.000 0.775 78 K HN 0.587 nan 8.250 nan 0.000 0.447 79 N N 2.689 121.475 118.700 0.143 0.000 2.814 79 N HA -0.037 4.707 4.740 0.007 0.000 0.304 79 N C 0.712 176.354 175.510 0.220 0.000 1.211 79 N CA 0.064 53.224 53.050 0.182 0.000 1.158 79 N CB 0.606 39.251 38.487 0.263 0.000 1.458 79 N HN -0.006 nan 8.380 nan 0.000 0.519 80 V N 0.805 120.815 119.914 0.160 0.000 2.548 80 V HA -0.177 3.947 4.120 0.007 0.000 0.249 80 V C 2.390 178.620 176.094 0.225 0.000 1.055 80 V CA 1.575 63.974 62.300 0.166 0.000 1.065 80 V CB -0.500 31.357 31.823 0.057 0.000 0.681 80 V HN 0.530 nan 8.190 nan 0.000 0.462 81 A N -0.631 122.282 122.820 0.154 0.000 2.019 81 A HA -0.246 4.079 4.320 0.007 0.000 0.219 81 A C 2.203 179.892 177.584 0.176 0.000 1.164 81 A CA 2.052 54.159 52.037 0.117 0.000 0.644 81 A CB -1.030 18.001 19.000 0.052 0.000 0.805 81 A HN 0.626 nan 8.150 nan 0.000 0.449 82 C N -1.779 117.621 119.300 0.167 0.000 2.472 82 C HA 0.116 4.580 4.460 0.007 0.000 0.278 82 C C 0.715 175.661 174.990 -0.074 0.000 1.447 82 C CA -0.580 58.463 59.018 0.042 0.000 1.773 82 C CB -1.977 25.695 27.740 -0.114 0.000 1.793 82 C HN 0.528 nan 8.230 nan 0.000 0.544 83 Y N 0.683 121.023 120.300 0.066 0.000 2.335 83 Y HA 0.568 5.122 4.550 0.007 0.000 0.323 83 Y C 0.880 176.896 175.900 0.192 0.000 1.224 83 Y CA 0.527 58.645 58.100 0.031 0.000 1.241 83 Y CB 0.567 39.009 38.460 -0.030 0.000 1.235 83 Y HN 0.164 nan 8.280 nan 0.000 0.492 84 G N 0.898 109.913 108.800 0.359 0.000 2.725 84 G HA2 0.586 4.550 3.960 0.007 0.000 0.288 84 G HA3 0.586 4.550 3.960 0.007 0.000 0.288 84 G C -2.439 172.773 174.900 0.519 0.000 1.399 84 G CA -0.814 44.576 45.100 0.484 0.000 0.859 84 G HN 0.422 nan 8.290 nan 0.000 0.479 85 L N 0.455 121.980 121.223 0.504 0.000 2.343 85 L HA 0.674 5.018 4.340 0.007 0.000 0.278 85 L C 0.123 177.052 176.870 0.097 0.000 0.996 85 L CA -0.724 54.294 54.840 0.297 0.000 0.831 85 L CB 1.543 43.753 42.059 0.253 0.000 1.232 85 L HN 0.588 nan 8.230 nan 0.000 0.413 86 R N 3.835 124.187 120.500 -0.246 0.000 2.604 86 R HA 0.768 5.113 4.340 0.007 0.000 0.287 86 R C -1.731 174.332 176.300 -0.394 0.000 0.970 86 R CA -0.809 54.872 56.100 -0.698 0.000 0.946 86 R CB 1.538 31.125 30.300 -1.188 0.000 1.127 86 R HN 0.593 nan 8.270 nan 0.000 0.473 87 L N 2.043 122.994 121.223 -0.454 0.000 2.385 87 L HA 0.530 4.874 4.340 0.007 0.000 0.273 87 L C -1.429 175.286 176.870 -0.258 0.000 0.990 87 L CA 0.070 54.605 54.840 -0.508 0.000 0.821 87 L CB 2.105 43.622 42.059 -0.904 0.000 1.279 87 L HN 0.602 nan 8.230 nan 0.000 0.412 88 S N 3.171 118.833 115.700 -0.064 0.000 2.541 88 S HA 0.484 4.958 4.470 0.007 0.000 0.280 88 S C -1.004 173.774 174.600 0.298 0.000 1.112 88 S CA -0.592 57.694 58.200 0.144 0.000 0.925 88 S CB 0.696 63.897 63.200 0.002 0.000 1.067 88 S HN 0.831 nan 8.310 nan 0.000 0.479 89 H N 3.294 122.446 119.070 0.137 0.000 2.597 89 H HA 0.358 4.918 4.556 0.007 0.000 0.370 89 H C 0.711 175.895 175.328 -0.240 0.000 1.281 89 H CA 0.288 56.102 56.048 -0.390 0.000 1.422 89 H CB 0.839 30.212 29.762 -0.648 0.000 1.524 89 H HN 0.640 nan 8.280 nan 0.000 0.607 90 L N 1.110 122.078 121.223 -0.426 0.000 2.286 90 L HA -0.006 4.338 4.340 0.007 0.000 0.203 90 L C 2.999 179.833 176.870 -0.059 0.000 1.068 90 L CA 0.914 55.624 54.840 -0.217 0.000 0.811 90 L CB -0.773 41.111 42.059 -0.291 0.000 0.989 90 L HN 0.625 nan 8.230 nan 0.000 0.467 91 Q N 0.145 119.999 119.800 0.090 0.000 2.172 91 Q HA -0.029 4.316 4.340 0.007 0.000 0.200 91 Q C 1.499 177.478 176.000 -0.035 0.000 0.964 91 Q CA 1.396 57.206 55.803 0.012 0.000 0.855 91 Q CB -0.170 28.555 28.738 -0.021 0.000 0.918 91 Q HN 0.412 nan 8.270 nan 0.000 0.444 92 S N -1.091 114.588 115.700 -0.036 0.000 2.578 92 S HA 0.435 4.909 4.470 0.007 0.000 0.301 92 S C -0.251 174.349 174.600 -0.001 0.000 1.091 92 S CA -0.274 57.885 58.200 -0.068 0.000 1.032 92 S CB 1.551 64.661 63.200 -0.150 0.000 1.064 92 S HN 0.484 nan 8.310 nan 0.000 0.508 93 E N 1.225 121.428 120.200 0.004 0.000 2.501 93 E HA 0.108 4.462 4.350 0.007 0.000 0.200 93 E C -0.180 176.440 176.600 0.035 0.000 1.016 93 E CA -0.206 56.203 56.400 0.015 0.000 0.921 93 E CB 0.310 30.012 29.700 0.004 0.000 1.034 93 E HN 0.813 nan 8.360 nan 0.000 0.468 94 E N 0.185 120.417 120.200 0.053 0.000 2.404 94 E HA 0.279 4.633 4.350 0.007 0.000 0.261 94 E C -0.407 176.221 176.600 0.048 0.000 1.074 94 E CA -0.360 56.070 56.400 0.050 0.000 0.917 94 E CB 1.276 31.026 29.700 0.084 0.000 0.965 94 E HN -0.169 nan 8.360 nan 0.000 0.433 95 V N 1.932 121.807 119.914 -0.065 0.000 2.925 95 V HA 0.308 4.432 4.120 0.007 0.000 0.311 95 V C -1.623 174.299 176.094 -0.288 0.000 1.104 95 V CA -0.762 61.475 62.300 -0.105 0.000 0.954 95 V CB 2.184 33.950 31.823 -0.094 0.000 1.022 95 V HN 0.794 nan 8.190 nan 0.000 0.427 96 H N 2.979 121.952 119.070 -0.163 0.000 2.547 96 H HA 0.436 4.996 4.556 0.007 0.000 0.342 96 H C -1.425 173.788 175.328 -0.192 0.000 1.048 96 H CA -0.188 55.808 56.048 -0.087 0.000 1.204 96 H CB 1.177 30.837 29.762 -0.170 0.000 1.493 96 H HN 0.641 nan 8.280 nan 0.000 0.511 97 W N 4.676 126.089 121.300 0.189 0.000 2.331 97 W HA 0.381 5.045 4.660 0.007 0.000 0.306 97 W C -0.567 176.089 176.519 0.227 0.000 1.162 97 W CA -0.658 56.798 57.345 0.186 0.000 1.232 97 W CB 0.732 30.307 29.460 0.191 0.000 1.235 97 W HN 0.348 nan 8.180 nan 0.000 0.479 98 L N 4.523 125.986 121.223 0.400 0.000 2.265 98 L HA 0.223 4.567 4.340 0.007 0.000 0.288 98 L C 0.312 177.426 176.870 0.406 0.000 1.058 98 L CA -1.001 54.047 54.840 0.347 0.000 0.809 98 L CB 0.132 42.330 42.059 0.232 0.000 1.179 98 L HN 0.332 nan 8.230 nan 0.000 0.429 99 H N 2.740 121.965 119.070 0.258 0.000 2.803 99 H HA 0.147 4.707 4.556 0.007 0.000 0.330 99 H C 0.888 176.313 175.328 0.163 0.000 1.057 99 H CA -0.098 56.072 56.048 0.204 0.000 1.458 99 H CB 0.921 30.787 29.762 0.173 0.000 1.470 99 H HN 0.545 nan 8.280 nan 0.000 0.560 100 L N 2.667 123.773 121.223 -0.195 0.000 2.077 100 L HA -0.405 3.939 4.340 0.007 0.000 0.231 100 L C 1.716 178.500 176.870 -0.143 0.000 1.100 100 L CA 2.166 56.892 54.840 -0.189 0.000 0.819 100 L CB -0.349 41.536 42.059 -0.290 0.000 0.913 100 L HN 0.722 nan 8.230 nan 0.000 0.446 101 D N -0.919 119.333 120.400 -0.245 0.000 2.117 101 D HA -0.086 4.558 4.640 0.007 0.000 0.198 101 D C 1.201 177.515 176.300 0.024 0.000 0.982 101 D CA 0.572 54.527 54.000 -0.075 0.000 0.828 101 D CB -0.148 40.627 40.800 -0.042 0.000 0.967 101 D HN 0.171 nan 8.370 nan 0.000 0.464 102 M N 1.788 121.437 119.600 0.082 0.000 2.336 102 M HA 0.029 4.513 4.480 0.007 0.000 0.371 102 M C 0.918 177.275 176.300 0.094 0.000 1.542 102 M CA 0.219 55.590 55.300 0.118 0.000 0.959 102 M CB -0.279 32.430 32.600 0.181 0.000 2.033 102 M HN -0.148 nan 8.290 nan 0.000 0.472 103 G N 3.752 112.602 108.800 0.082 0.000 2.406 103 G HA2 0.377 4.341 3.960 0.007 0.000 0.251 103 G HA3 0.377 4.341 3.960 0.007 0.000 0.251 103 G C 0.994 175.948 174.900 0.091 0.000 1.271 103 G CA -0.869 44.278 45.100 0.079 0.000 0.859 103 G HN 0.644 nan 8.290 nan 0.000 0.540 104 V N 2.516 122.477 119.914 0.080 0.000 2.282 104 V HA -0.267 3.857 4.120 0.007 0.000 0.249 104 V C 3.017 179.165 176.094 0.091 0.000 1.057 104 V CA 2.597 64.922 62.300 0.042 0.000 1.032 104 V CB -0.926 30.829 31.823 -0.114 0.000 0.645 104 V HN 0.769 nan 8.190 nan 0.000 0.447 105 S N 1.766 117.555 115.700 0.148 0.000 2.377 105 S HA -0.282 4.192 4.470 0.007 0.000 0.224 105 S C 1.699 176.358 174.600 0.098 0.000 1.042 105 S CA 2.027 60.314 58.200 0.146 0.000 1.086 105 S CB -0.797 62.472 63.200 0.115 0.000 0.995 105 S HN 0.724 nan 8.310 nan 0.000 0.428 106 N N 1.278 120.024 118.700 0.076 0.000 2.443 106 N HA -0.009 4.735 4.740 0.007 0.000 0.184 106 N C 1.475 177.017 175.510 0.054 0.000 1.037 106 N CA 0.536 53.616 53.050 0.049 0.000 0.896 106 N CB -0.738 37.771 38.487 0.037 0.000 0.959 106 N HN 0.288 nan 8.380 nan 0.000 0.442 107 V N 0.911 120.887 119.914 0.104 0.000 2.302 107 V HA -0.081 4.043 4.120 0.007 0.000 0.243 107 V C 2.528 178.745 176.094 0.204 0.000 1.036 107 V CA 1.145 63.551 62.300 0.176 0.000 1.020 107 V CB -0.288 31.668 31.823 0.220 0.000 0.657 107 V HN 0.210 nan 8.190 nan 0.000 0.453 108 R N 0.190 120.788 120.500 0.163 0.000 2.103 108 R HA -0.242 4.102 4.340 0.007 0.000 0.234 108 R C 2.546 178.909 176.300 0.104 0.000 1.132 108 R CA 2.408 58.598 56.100 0.149 0.000 0.925 108 R CB -0.814 29.566 30.300 0.132 0.000 0.842 108 R HN 0.688 nan 8.270 nan 0.000 0.430 109 E N 2.001 122.246 120.200 0.075 0.000 2.086 109 E HA -0.319 4.035 4.350 0.007 0.000 0.205 109 E C 1.741 178.337 176.600 -0.007 0.000 1.027 109 E CA 2.470 58.894 56.400 0.039 0.000 0.830 109 E CB -0.812 28.902 29.700 0.024 0.000 0.751 109 E HN 0.684 nan 8.360 nan 0.000 0.456 110 K N -1.423 118.937 120.400 -0.068 0.000 2.288 110 K HA 0.112 4.436 4.320 0.007 0.000 0.201 110 K C 1.899 178.282 176.600 -0.362 0.000 1.048 110 K CA 1.473 57.627 56.287 -0.222 0.000 0.956 110 K CB -0.128 32.190 32.500 -0.304 0.000 0.746 110 K HN 0.366 nan 8.250 nan 0.000 0.461 111 F N 1.639 121.481 119.950 -0.180 0.000 2.222 111 F HA 0.160 4.691 4.527 0.007 0.000 0.285 111 F C 1.953 177.699 175.800 -0.090 0.000 1.068 111 F CA 0.513 58.339 58.000 -0.290 0.000 1.265 111 F CB -0.242 38.319 39.000 -0.733 0.000 1.087 111 F HN 0.012 nan 8.300 nan 0.000 0.511 112 E N 0.779 121.055 120.200 0.126 0.000 2.482 112 E HA -0.094 4.261 4.350 0.007 0.000 0.200 112 E C 1.492 178.200 176.600 0.180 0.000 1.147 112 E CA -0.002 56.551 56.400 0.255 0.000 0.912 112 E CB -0.538 29.287 29.700 0.209 0.000 0.938 112 E HN 0.406 nan 8.360 nan 0.000 0.519 113 L N -0.804 120.483 121.223 0.107 0.000 2.592 113 L HA 0.197 4.541 4.340 0.007 0.000 0.227 113 L C 1.426 178.315 176.870 0.031 0.000 1.127 113 L CA 0.320 55.190 54.840 0.050 0.000 0.884 113 L CB 0.205 42.260 42.059 -0.006 0.000 1.065 113 L HN 0.247 nan 8.230 nan 0.000 0.457 114 A N -1.910 120.945 122.820 0.058 0.000 2.016 114 A HA 0.254 4.579 4.320 0.007 0.000 0.202 114 A C 0.278 177.742 177.584 -0.201 0.000 1.632 114 A CA 0.072 52.022 52.037 -0.145 0.000 0.891 114 A CB 0.230 19.060 19.000 -0.284 0.000 1.103 114 A HN 0.271 nan 8.150 nan 0.000 0.547 115 H N -0.323 118.983 119.070 0.393 0.000 2.572 115 H HA 0.437 4.997 4.556 0.007 0.000 0.359 115 H C -2.819 172.678 175.328 0.282 0.000 1.134 115 H CA -2.540 53.653 56.048 0.242 0.000 1.187 115 H CB 0.790 30.589 29.762 0.062 0.000 1.597 115 H HN 0.086 nan 8.280 nan 0.000 0.524 116 P HA -0.055 nan 4.420 nan 0.000 0.266 116 P C -1.650 175.813 177.300 0.272 0.000 1.193 116 P CA -0.815 62.415 63.100 0.216 0.000 0.770 116 P CB 0.313 32.084 31.700 0.118 0.000 0.836 117 P HA -0.145 nan 4.420 nan 0.000 0.234 117 P C 0.441 177.879 177.300 0.230 0.000 1.162 117 P CA 1.382 64.681 63.100 0.332 0.000 0.759 117 P CB 0.053 31.891 31.700 0.230 0.000 0.813 118 E N 0.318 120.590 120.200 0.119 0.000 2.276 118 E HA -0.057 4.297 4.350 0.007 0.000 0.193 118 E C 1.376 177.941 176.600 -0.059 0.000 0.983 118 E CA 0.455 56.882 56.400 0.045 0.000 0.861 118 E CB -0.162 29.553 29.700 0.024 0.000 0.817 118 E HN 0.506 nan 8.360 nan 0.000 0.485 119 E N -0.007 120.078 120.200 -0.192 0.000 2.476 119 E HA 0.053 4.408 4.350 0.007 0.000 0.196 119 E C -0.453 175.665 176.600 -0.803 0.000 1.029 119 E CA -0.214 55.853 56.400 -0.555 0.000 0.896 119 E CB 0.101 29.370 29.700 -0.718 0.000 1.012 119 E HN 0.186 nan 8.360 nan 0.000 0.475 120 W N 2.081 123.269 121.300 -0.186 0.000 2.520 120 W HA 0.384 5.048 4.660 0.007 0.000 0.323 120 W C 0.046 176.539 176.519 -0.045 0.000 1.062 120 W CA -1.034 56.223 57.345 -0.147 0.000 1.215 120 W CB 1.566 30.997 29.460 -0.048 0.000 1.340 120 W HN -0.236 nan 8.180 nan 0.000 0.516 121 K N 3.087 123.606 120.400 0.197 0.000 2.426 121 K HA 0.386 4.710 4.320 0.007 0.000 0.254 121 K C -1.800 174.861 176.600 0.101 0.000 0.936 121 K CA -0.788 55.610 56.287 0.187 0.000 0.801 121 K CB 1.102 33.596 32.500 -0.010 0.000 1.139 121 K HN 0.432 nan 8.250 nan 0.000 0.424 122 Y N 2.631 123.031 120.300 0.167 0.000 2.331 122 Y HA 0.217 4.771 4.550 0.007 0.000 0.338 122 Y C -0.166 175.827 175.900 0.155 0.000 0.976 122 Y CA -0.568 57.584 58.100 0.087 0.000 1.137 122 Y CB 1.520 40.010 38.460 0.050 0.000 1.172 122 Y HN 0.521 nan 8.280 nan 0.000 0.478 123 E N 2.948 123.265 120.200 0.195 0.000 2.234 123 E HA 0.472 4.826 4.350 0.007 0.000 0.266 123 E C -1.618 175.112 176.600 0.216 0.000 0.877 123 E CA -1.219 55.304 56.400 0.205 0.000 0.758 123 E CB 2.313 32.083 29.700 0.117 0.000 1.170 123 E HN 0.470 nan 8.360 nan 0.000 0.415 124 L N 3.087 124.499 121.223 0.316 0.000 2.416 124 L HA 0.327 4.671 4.340 0.007 0.000 0.272 124 L C -0.467 176.748 176.870 0.576 0.000 1.161 124 L CA 0.715 55.801 54.840 0.411 0.000 0.845 124 L CB 0.137 42.462 42.059 0.444 0.000 1.119 124 L HN 0.667 nan 8.230 nan 0.000 0.464 125 R N 4.013 124.843 120.500 0.549 0.000 2.781 125 R HA 0.546 4.890 4.340 0.007 0.000 0.269 125 R C -1.337 175.121 176.300 0.265 0.000 1.025 125 R CA -1.021 55.441 56.100 0.602 0.000 0.914 125 R CB 1.256 31.895 30.300 0.566 0.000 1.236 125 R HN 0.488 nan 8.270 nan 0.000 0.465 126 I N 1.665 122.307 120.570 0.120 0.000 2.312 126 I HA 0.259 4.433 4.170 0.007 0.000 0.291 126 I C 1.237 177.222 176.117 -0.221 0.000 1.031 126 I CA 0.125 61.267 61.300 -0.265 0.000 1.293 126 I CB 1.107 38.909 38.000 -0.330 0.000 1.403 126 I HN 0.532 nan 8.210 nan 0.000 0.484 127 R N 4.762 124.901 120.500 -0.602 0.000 2.225 127 R HA 0.158 4.502 4.340 0.007 0.000 0.194 127 R C -0.434 175.283 176.300 -0.973 0.000 0.949 127 R CA 0.194 55.760 56.100 -0.891 0.000 1.088 127 R CB 0.559 29.985 30.300 -1.457 0.000 1.106 127 R HN 0.511 nan 8.270 nan 0.000 0.566 128 Y N 1.485 121.485 120.300 -0.501 0.000 2.491 128 Y HA 0.398 4.952 4.550 0.007 0.000 0.334 128 Y C -0.540 175.041 175.900 -0.532 0.000 0.969 128 Y CA -0.815 56.755 58.100 -0.884 0.000 1.241 128 Y CB 0.824 38.722 38.460 -0.937 0.000 1.105 128 Y HN -0.156 nan 8.280 nan 0.000 0.503 129 L N 6.187 127.263 121.223 -0.245 0.000 2.292 129 L HA 0.477 4.821 4.340 0.007 0.000 0.284 129 L C -2.217 174.686 176.870 0.054 0.000 1.065 129 L CA -2.062 52.661 54.840 -0.196 0.000 0.806 129 L CB 1.075 42.794 42.059 -0.568 0.000 1.175 129 L HN 0.336 nan 8.230 nan 0.000 0.431 130 P HA 0.123 nan 4.420 nan 0.000 0.275 130 P C -0.019 177.359 177.300 0.129 0.000 1.266 130 P CA -0.547 62.589 63.100 0.061 0.000 0.793 130 P CB 0.840 32.531 31.700 -0.016 0.000 1.074 131 K N -0.104 120.349 120.400 0.088 0.000 2.288 131 K HA 0.050 4.374 4.320 0.007 0.000 0.201 131 K C 1.325 177.929 176.600 0.007 0.000 1.048 131 K CA 1.297 57.635 56.287 0.084 0.000 0.956 131 K CB -0.637 31.893 32.500 0.051 0.000 0.746 131 K HN 0.633 nan 8.250 nan 0.000 0.461 132 G N -0.208 108.545 108.800 -0.077 0.000 4.547 132 G HA2 0.107 4.071 3.960 0.007 0.000 0.301 132 G HA3 0.107 4.071 3.960 0.007 0.000 0.301 132 G C 0.500 175.168 174.900 -0.387 0.000 1.240 132 G CA -0.387 44.580 45.100 -0.221 0.000 0.970 132 G HN 0.275 nan 8.290 nan 0.000 0.574 133 F N -0.290 119.453 119.950 -0.346 0.000 2.147 133 F HA -0.169 4.362 4.527 0.007 0.000 0.301 133 F C 1.932 177.264 175.800 -0.779 0.000 1.084 133 F CA 0.866 58.426 58.000 -0.733 0.000 1.268 133 F CB -0.534 37.975 39.000 -0.818 0.000 1.009 133 F HN 0.158 nan 8.300 nan 0.000 0.486 134 L N 0.573 121.381 121.223 -0.692 0.000 1.994 134 L HA -0.213 4.131 4.340 0.007 0.000 0.208 134 L C 2.542 179.333 176.870 -0.131 0.000 1.071 134 L CA 1.963 56.636 54.840 -0.280 0.000 0.745 134 L CB -0.982 40.918 42.059 -0.266 0.000 0.892 134 L HN 0.324 nan 8.230 nan 0.000 0.431 135 N N -0.406 118.185 118.700 -0.181 0.000 2.036 135 N HA -0.315 4.430 4.740 0.007 0.000 0.195 135 N C 1.829 177.315 175.510 -0.039 0.000 1.037 135 N CA 1.592 54.592 53.050 -0.084 0.000 0.855 135 N CB -0.092 38.336 38.487 -0.098 0.000 1.033 135 N HN 0.269 nan 8.380 nan 0.000 0.423 136 Q N 0.693 120.429 119.800 -0.107 0.000 2.082 136 Q HA -0.162 4.182 4.340 0.007 0.000 0.211 136 Q C 1.645 177.740 176.000 0.157 0.000 1.002 136 Q CA 1.882 57.663 55.803 -0.038 0.000 0.868 136 Q CB -0.350 28.285 28.738 -0.172 0.000 0.931 136 Q HN 0.453 nan 8.270 nan 0.000 0.414 137 F N -0.958 119.020 119.950 0.048 0.000 2.365 137 F HA -0.136 4.395 4.527 0.007 0.000 0.300 137 F C 2.175 178.031 175.800 0.094 0.000 1.090 137 F CA 0.571 58.617 58.000 0.078 0.000 1.408 137 F CB -0.071 38.987 39.000 0.097 0.000 1.060 137 F HN 0.146 nan 8.300 nan 0.000 0.534 138 T N 0.005 114.712 114.554 0.255 0.000 2.822 138 T HA -0.202 4.152 4.350 0.007 0.000 0.270 138 T C 1.206 175.989 174.700 0.138 0.000 1.064 138 T CA 1.356 63.556 62.100 0.168 0.000 1.131 138 T CB -0.299 68.633 68.868 0.106 0.000 0.858 138 T HN 0.435 nan 8.240 nan 0.000 0.483 139 E N 0.173 120.460 120.200 0.145 0.000 2.476 139 E HA 0.118 4.472 4.350 0.007 0.000 0.196 139 E C -0.122 176.554 176.600 0.126 0.000 1.029 139 E CA -0.032 56.435 56.400 0.113 0.000 0.896 139 E CB 0.474 30.229 29.700 0.091 0.000 1.012 139 E HN 0.144 nan 8.360 nan 0.000 0.475 140 D N 0.675 121.174 120.400 0.165 0.000 2.656 140 D HA 0.134 4.778 4.640 0.007 0.000 0.303 140 D C 0.639 177.014 176.300 0.125 0.000 1.199 140 D CA -0.261 53.824 54.000 0.141 0.000 0.797 140 D CB 0.386 41.286 40.800 0.167 0.000 1.170 140 D HN -0.270 nan 8.370 nan 0.000 0.509 141 K N 0.780 121.249 120.400 0.115 0.000 2.097 141 K HA -0.155 4.169 4.320 0.007 0.000 0.214 141 K C -0.984 175.697 176.600 0.135 0.000 1.052 141 K CA 1.888 58.243 56.287 0.113 0.000 0.932 141 K CB -0.934 31.616 32.500 0.084 0.000 0.716 141 K HN 0.356 nan 8.250 nan 0.000 0.455 142 P HA -0.067 nan 4.420 nan 0.000 0.217 142 P C 0.985 178.479 177.300 0.322 0.000 1.150 142 P CA 1.386 64.624 63.100 0.230 0.000 0.832 142 P CB 0.035 31.849 31.700 0.190 0.000 0.787 143 T N 0.196 114.865 114.554 0.192 0.000 2.737 143 T HA -0.129 4.225 4.350 0.007 0.000 0.265 143 T C 1.735 176.419 174.700 -0.026 0.000 1.038 143 T CA 1.036 63.150 62.100 0.023 0.000 1.144 143 T CB -1.016 67.626 68.868 -0.376 0.000 0.866 143 T HN 0.031 nan 8.240 nan 0.000 0.434 144 L N 1.381 122.626 121.223 0.035 0.000 2.042 144 L HA -0.143 4.201 4.340 0.007 0.000 0.210 144 L C 1.976 179.046 176.870 0.333 0.000 1.076 144 L CA 1.834 56.829 54.840 0.258 0.000 0.749 144 L CB -0.621 41.618 42.059 0.301 0.000 0.893 144 L HN 0.165 nan 8.230 nan 0.000 0.432 145 N N -0.876 117.971 118.700 0.245 0.000 2.025 145 N HA -0.261 4.483 4.740 0.007 0.000 0.194 145 N C 1.716 177.382 175.510 0.260 0.000 1.044 145 N CA 2.033 55.222 53.050 0.230 0.000 0.851 145 N CB -0.500 38.088 38.487 0.168 0.000 1.036 145 N HN 0.436 nan 8.380 nan 0.000 0.422 146 F N 0.394 120.403 119.950 0.099 0.000 2.087 146 F HA -0.286 4.245 4.527 0.007 0.000 0.299 146 F C 2.044 177.879 175.800 0.057 0.000 1.100 146 F CA 1.451 59.445 58.000 -0.010 0.000 1.226 146 F CB -0.325 38.562 39.000 -0.188 0.000 0.983 146 F HN 0.088 nan 8.300 nan 0.000 0.479 147 F N -0.775 119.346 119.950 0.284 0.000 2.146 147 F HA -0.244 4.287 4.527 0.007 0.000 0.298 147 F C 2.333 178.241 175.800 0.181 0.000 1.096 147 F CA 1.487 59.613 58.000 0.209 0.000 1.275 147 F CB -0.656 38.446 39.000 0.170 0.000 1.008 147 F HN 0.159 nan 8.300 nan 0.000 0.480 148 Y N 1.411 121.732 120.300 0.035 0.000 2.070 148 Y HA -0.307 4.247 4.550 0.007 0.000 0.280 148 Y C 2.525 178.156 175.900 -0.448 0.000 1.148 148 Y CA 2.028 59.943 58.100 -0.309 0.000 1.125 148 Y CB -0.970 37.301 38.460 -0.315 0.000 0.975 148 Y HN 0.064 nan 8.280 nan 0.000 0.492 149 Q N 0.602 120.128 119.800 -0.457 0.000 2.096 149 Q HA -0.328 4.016 4.340 0.007 0.000 0.208 149 Q C 2.331 177.856 176.000 -0.792 0.000 0.993 149 Q CA 2.279 57.766 55.803 -0.526 0.000 0.862 149 Q CB -0.801 27.870 28.738 -0.112 0.000 0.915 149 Q HN 0.765 nan 8.270 nan 0.000 0.416 150 Q N 0.115 119.338 119.800 -0.963 0.000 2.030 150 Q HA -0.151 4.193 4.340 0.007 0.000 0.204 150 Q C 2.102 177.704 176.000 -0.663 0.000 0.986 150 Q CA 2.013 57.119 55.803 -1.163 0.000 0.843 150 Q CB 0.075 28.450 28.738 -0.605 0.000 0.904 150 Q HN 0.226 nan 8.270 nan 0.000 0.420 151 V N 1.028 120.589 119.914 -0.588 0.000 2.307 151 V HA -0.264 3.860 4.120 0.007 0.000 0.245 151 V C 2.396 178.365 176.094 -0.209 0.000 1.045 151 V CA 2.144 64.235 62.300 -0.349 0.000 1.024 151 V CB -0.734 30.824 31.823 -0.441 0.000 0.651 151 V HN 0.421 nan 8.190 nan 0.000 0.449 152 K N 0.859 120.987 120.400 -0.452 0.000 2.059 152 K HA -0.314 4.010 4.320 0.007 0.000 0.212 152 K C 2.063 178.599 176.600 -0.107 0.000 1.050 152 K CA 2.373 58.475 56.287 -0.309 0.000 0.927 152 K CB -0.365 31.656 32.500 -0.798 0.000 0.714 152 K HN 0.470 nan 8.250 nan 0.000 0.447 153 N N 0.778 119.330 118.700 -0.246 0.000 2.104 153 N HA -0.162 4.582 4.740 0.007 0.000 0.190 153 N C 1.019 176.464 175.510 -0.110 0.000 1.024 153 N CA 2.047 54.994 53.050 -0.172 0.000 0.853 153 N CB -0.212 38.161 38.487 -0.188 0.000 1.008 153 N HN 0.269 nan 8.380 nan 0.000 0.424 154 D N -1.162 119.192 120.400 -0.076 0.000 2.162 154 D HA -0.123 4.521 4.640 0.007 0.000 0.203 154 D C 1.598 177.829 176.300 -0.114 0.000 0.967 154 D CA 0.571 54.555 54.000 -0.026 0.000 0.840 154 D CB -0.625 40.241 40.800 0.110 0.000 0.972 154 D HN 0.402 nan 8.370 nan 0.000 0.482 155 Y N 1.490 121.657 120.300 -0.222 0.000 2.081 155 Y HA -0.271 4.283 4.550 0.007 0.000 0.280 155 Y C 2.048 177.826 175.900 -0.204 0.000 1.163 155 Y CA 1.633 59.555 58.100 -0.298 0.000 1.135 155 Y CB -0.320 38.068 38.460 -0.119 0.000 0.970 155 Y HN -0.185 nan 8.280 nan 0.000 0.498 156 M N -0.652 118.738 119.600 -0.351 0.000 2.202 156 M HA -0.162 4.322 4.480 0.007 0.000 0.262 156 M C 1.823 177.936 176.300 -0.312 0.000 1.063 156 M CA 1.306 56.365 55.300 -0.403 0.000 1.097 156 M CB -1.083 31.395 32.600 -0.202 0.000 1.382 156 M HN 0.370 nan 8.290 nan 0.000 0.413 157 L N -0.911 120.174 121.223 -0.230 0.000 2.298 157 L HA 0.020 4.364 4.340 0.007 0.000 0.209 157 L C 2.135 178.908 176.870 -0.161 0.000 1.084 157 L CA 1.284 56.024 54.840 -0.168 0.000 0.816 157 L CB -0.646 41.344 42.059 -0.115 0.000 0.967 157 L HN 0.314 nan 8.230 nan 0.000 0.460 158 E N -0.611 119.471 120.200 -0.196 0.000 2.175 158 E HA 0.118 4.472 4.350 0.007 0.000 0.195 158 E C 1.654 178.148 176.600 -0.177 0.000 0.934 158 E CA 1.008 57.316 56.400 -0.152 0.000 0.870 158 E CB 0.506 30.142 29.700 -0.107 0.000 0.838 158 E HN 0.491 nan 8.360 nan 0.000 0.474 159 I N -3.237 117.163 120.570 -0.283 0.000 4.592 159 I HA 0.414 4.588 4.170 0.007 0.000 0.329 159 I C 2.123 178.098 176.117 -0.236 0.000 1.309 159 I CA 0.014 61.188 61.300 -0.210 0.000 1.243 159 I CB 0.444 38.349 38.000 -0.159 0.000 1.241 159 I HN -0.131 nan 8.210 nan 0.000 0.434 160 A N 1.705 124.226 122.820 -0.500 0.000 1.903 160 A HA -0.315 4.009 4.320 0.007 0.000 0.219 160 A C 1.869 179.323 177.584 -0.217 0.000 1.191 160 A CA 2.715 54.401 52.037 -0.586 0.000 0.638 160 A CB -1.081 17.294 19.000 -1.043 0.000 0.823 160 A HN 0.516 nan 8.150 nan 0.000 0.451 161 D N -0.995 119.294 120.400 -0.185 0.000 2.350 161 D HA -0.078 4.566 4.640 0.007 0.000 0.216 161 D C 1.506 177.777 176.300 -0.048 0.000 0.968 161 D CA 1.263 55.207 54.000 -0.093 0.000 0.894 161 D CB 0.114 40.860 40.800 -0.090 0.000 0.909 161 D HN 0.713 nan 8.370 nan 0.000 0.520 162 Q N -0.529 119.244 119.800 -0.045 0.000 2.063 162 Q HA 0.143 4.487 4.340 0.007 0.000 0.245 162 Q C -0.158 175.851 176.000 0.016 0.000 0.828 162 Q CA -0.173 55.625 55.803 -0.009 0.000 1.089 162 Q CB -0.340 28.393 28.738 -0.008 0.000 1.232 162 Q HN 0.053 nan 8.270 nan 0.000 0.445 163 V N 1.682 121.613 119.914 0.029 0.000 3.133 163 V HA 0.100 4.224 4.120 0.007 0.000 0.305 163 V C -0.046 176.093 176.094 0.075 0.000 1.084 163 V CA 0.193 62.539 62.300 0.076 0.000 1.089 163 V CB 1.327 33.241 31.823 0.152 0.000 1.073 163 V HN 0.501 nan 8.190 nan 0.000 0.477 164 D N 2.308 122.754 120.400 0.077 0.000 2.400 164 D HA 0.019 4.663 4.640 0.007 0.000 0.238 164 D C 0.788 177.138 176.300 0.084 0.000 1.157 164 D CA 0.608 54.649 54.000 0.068 0.000 0.889 164 D CB 0.833 41.669 40.800 0.060 0.000 1.199 164 D HN 0.615 nan 8.370 nan 0.000 0.436 165 Q N 1.252 121.096 119.800 0.073 0.000 2.212 165 Q HA -0.112 4.232 4.340 0.007 0.000 0.199 165 Q C 1.302 177.361 176.000 0.098 0.000 0.950 165 Q CA 0.704 56.556 55.803 0.081 0.000 0.863 165 Q CB 0.167 28.939 28.738 0.055 0.000 0.944 165 Q HN 0.596 nan 8.270 nan 0.000 0.465 166 E N 0.135 120.388 120.200 0.087 0.000 2.265 166 E HA -0.156 4.198 4.350 0.007 0.000 0.196 166 E C 1.706 178.387 176.600 0.134 0.000 0.996 166 E CA 0.684 57.145 56.400 0.103 0.000 0.832 166 E CB 0.186 29.935 29.700 0.082 0.000 0.756 166 E HN 0.288 nan 8.360 nan 0.000 0.491 167 I N 0.307 120.948 120.570 0.118 0.000 2.141 167 I HA -0.172 4.002 4.170 0.007 0.000 0.236 167 I C 2.401 178.609 176.117 0.151 0.000 1.071 167 I CA 1.218 62.581 61.300 0.104 0.000 1.345 167 I CB -1.590 36.458 38.000 0.080 0.000 1.066 167 I HN 0.107 nan 8.210 nan 0.000 0.406 168 A N 1.517 124.469 122.820 0.219 0.000 1.915 168 A HA -0.244 4.080 4.320 0.007 0.000 0.220 168 A C 2.441 180.293 177.584 0.445 0.000 1.198 168 A CA 1.899 54.143 52.037 0.345 0.000 0.647 168 A CB -1.140 18.048 19.000 0.312 0.000 0.825 168 A HN 0.423 nan 8.150 nan 0.000 0.456 169 L N -1.046 120.400 121.223 0.372 0.000 1.956 169 L HA -0.287 4.057 4.340 0.007 0.000 0.216 169 L C 2.742 179.897 176.870 0.475 0.000 1.073 169 L CA 2.311 57.414 54.840 0.439 0.000 0.762 169 L CB -0.597 41.608 42.059 0.243 0.000 0.889 169 L HN 0.419 nan 8.230 nan 0.000 0.433 170 K N -0.064 120.538 120.400 0.336 0.000 2.009 170 K HA -0.197 4.127 4.320 0.007 0.000 0.210 170 K C 2.074 178.711 176.600 0.062 0.000 1.049 170 K CA 1.407 57.895 56.287 0.337 0.000 0.929 170 K CB -0.355 32.319 32.500 0.290 0.000 0.714 170 K HN 0.227 nan 8.250 nan 0.000 0.440 171 L N 0.121 121.325 121.223 -0.032 0.000 2.012 171 L HA -0.167 4.177 4.340 0.007 0.000 0.210 171 L C 2.629 179.531 176.870 0.053 0.000 1.073 171 L CA 1.555 56.296 54.840 -0.164 0.000 0.748 171 L CB -1.206 40.565 42.059 -0.480 0.000 0.891 171 L HN 0.409 nan 8.230 nan 0.000 0.431 172 G N -0.539 108.294 108.800 0.056 0.000 2.491 172 G HA2 -0.293 3.671 3.960 0.007 0.000 0.218 172 G HA3 -0.293 3.671 3.960 0.007 0.000 0.218 172 G C 1.658 176.505 174.900 -0.088 0.000 1.180 172 G CA 1.105 46.003 45.100 -0.336 0.000 0.774 172 G HN 0.405 nan 8.290 nan 0.000 0.562 173 C N 0.124 119.576 119.300 0.253 0.000 2.413 173 C HA 0.007 4.471 4.460 0.007 0.000 0.276 173 C C 2.990 178.089 174.990 0.182 0.000 1.248 173 C CA 0.810 60.065 59.018 0.394 0.000 1.742 173 C CB -1.122 27.010 27.740 0.653 0.000 2.017 173 C HN 0.465 nan 8.230 nan 0.000 0.481 174 L N 0.549 121.736 121.223 -0.060 0.000 2.012 174 L HA -0.186 4.158 4.340 0.007 0.000 0.210 174 L C 2.687 179.549 176.870 -0.014 0.000 1.073 174 L CA 1.984 56.732 54.840 -0.154 0.000 0.748 174 L CB -0.735 41.199 42.059 -0.207 0.000 0.891 174 L HN 0.305 nan 8.230 nan 0.000 0.431 175 E N 0.856 121.099 120.200 0.071 0.000 2.085 175 E HA -0.218 4.136 4.350 0.007 0.000 0.194 175 E C 2.060 178.676 176.600 0.026 0.000 0.994 175 E CA 1.504 57.958 56.400 0.090 0.000 0.801 175 E CB -0.263 29.561 29.700 0.207 0.000 0.743 175 E HN 0.398 nan 8.360 nan 0.000 0.453 176 I N 0.131 120.659 120.570 -0.069 0.000 2.118 176 I HA -0.323 3.851 4.170 0.007 0.000 0.241 176 I C 2.620 178.848 176.117 0.185 0.000 1.070 176 I CA 1.642 62.885 61.300 -0.094 0.000 1.327 176 I CB -0.385 37.557 38.000 -0.096 0.000 1.034 176 I HN 0.136 nan 8.210 nan 0.000 0.405 177 R N 1.198 121.858 120.500 0.267 0.000 2.105 177 R HA -0.174 4.170 4.340 0.007 0.000 0.239 177 R C 2.367 178.714 176.300 0.078 0.000 1.135 177 R CA 1.568 57.808 56.100 0.233 0.000 0.967 177 R CB -0.495 29.843 30.300 0.063 0.000 0.861 177 R HN 0.240 nan 8.270 nan 0.000 0.442 178 R N -0.787 119.707 120.500 -0.010 0.000 2.057 178 R HA -0.036 4.308 4.340 0.007 0.000 0.229 178 R C 2.233 178.485 176.300 -0.079 0.000 1.136 178 R CA 1.714 57.763 56.100 -0.085 0.000 0.952 178 R CB -0.606 29.577 30.300 -0.194 0.000 0.848 178 R HN 0.299 nan 8.270 nan 0.000 0.430 179 S N -0.489 115.144 115.700 -0.112 0.000 2.399 179 S HA -0.122 4.352 4.470 0.007 0.000 0.231 179 S C 0.472 174.824 174.600 -0.413 0.000 1.022 179 S CA 0.877 58.912 58.200 -0.275 0.000 0.983 179 S CB -0.059 62.912 63.200 -0.383 0.000 0.803 179 S HN 0.462 nan 8.310 nan 0.000 0.480 180 Y N 0.739 121.068 120.300 0.048 0.000 2.724 180 Y HA 0.386 4.941 4.550 0.007 0.000 0.370 180 Y C 1.620 177.503 175.900 -0.029 0.000 0.978 180 Y CA -0.510 57.588 58.100 -0.003 0.000 1.443 180 Y CB 0.050 38.486 38.460 -0.041 0.000 1.386 180 Y HN 0.255 nan 8.280 nan 0.000 0.557 181 G N -0.177 108.661 108.800 0.062 0.000 2.653 181 G HA2 -0.214 3.750 3.960 0.007 0.000 0.212 181 G HA3 -0.214 3.750 3.960 0.007 0.000 0.212 181 G C 1.232 176.146 174.900 0.023 0.000 1.138 181 G CA 0.649 45.769 45.100 0.033 0.000 0.782 181 G HN 0.384 nan 8.290 nan 0.000 0.535 182 E N -0.533 119.679 120.200 0.020 0.000 2.489 182 E HA 0.217 4.572 4.350 0.007 0.000 0.204 182 E C 1.288 177.851 176.600 -0.062 0.000 1.006 182 E CA -0.348 56.041 56.400 -0.019 0.000 0.936 182 E CB 0.056 29.744 29.700 -0.020 0.000 1.002 182 E HN 0.554 nan 8.360 nan 0.000 0.488 183 M N 0.563 120.115 119.600 -0.080 0.000 2.146 183 M HA 0.416 4.900 4.480 0.007 0.000 0.357 183 M C -0.238 176.033 176.300 -0.049 0.000 1.261 183 M CA -0.610 54.593 55.300 -0.162 0.000 1.106 183 M CB 1.172 33.538 32.600 -0.389 0.000 1.612 183 M HN -0.351 nan 8.290 nan 0.000 0.470 184 R N 2.933 123.403 120.500 -0.049 0.000 2.619 184 R HA -0.026 4.319 4.340 0.007 0.000 0.268 184 R C 1.297 177.643 176.300 0.077 0.000 0.990 184 R CA 0.983 57.087 56.100 0.006 0.000 1.092 184 R CB -0.001 30.294 30.300 -0.008 0.000 0.935 184 R HN 1.138 nan 8.270 nan 0.000 0.415 185 G N 2.412 111.280 108.800 0.112 0.000 2.450 185 G HA2 -0.297 3.667 3.960 0.007 0.000 0.220 185 G HA3 -0.297 3.667 3.960 0.007 0.000 0.220 185 G C 0.968 176.041 174.900 0.288 0.000 1.130 185 G CA 0.811 46.045 45.100 0.223 0.000 0.760 185 G HN 0.686 nan 8.290 nan 0.000 0.557 186 N N 0.921 119.707 118.700 0.144 0.000 2.336 186 N HA 0.329 5.073 4.740 0.007 0.000 0.189 186 N C 1.861 177.406 175.510 0.059 0.000 1.113 186 N CA 0.811 53.925 53.050 0.107 0.000 0.858 186 N CB -0.247 38.272 38.487 0.052 0.000 0.970 186 N HN 0.208 nan 8.380 nan 0.000 0.471 187 A N 1.364 124.214 122.820 0.051 0.000 1.927 187 A HA -0.113 4.211 4.320 0.007 0.000 0.220 187 A C 1.985 179.595 177.584 0.043 0.000 1.185 187 A CA 1.152 53.210 52.037 0.035 0.000 0.639 187 A CB -0.862 18.133 19.000 -0.009 0.000 0.820 187 A HN 0.372 nan 8.150 nan 0.000 0.451 188 L N -0.053 121.144 121.223 -0.043 0.000 2.675 188 L HA -0.035 4.309 4.340 0.007 0.000 0.238 188 L C 1.399 178.260 176.870 -0.014 0.000 1.155 188 L CA 0.230 55.046 54.840 -0.041 0.000 0.881 188 L CB -0.432 41.495 42.059 -0.220 0.000 1.008 188 L HN 0.427 nan 8.230 nan 0.000 0.443 189 E N 0.385 120.582 120.200 -0.006 0.000 2.478 189 E HA 0.005 4.360 4.350 0.007 0.000 0.194 189 E C 0.204 176.789 176.600 -0.025 0.000 1.045 189 E CA 0.301 56.689 56.400 -0.020 0.000 0.868 189 E CB 0.199 29.891 29.700 -0.014 0.000 0.885 189 E HN 0.252 nan 8.360 nan 0.000 0.505 190 K N 1.386 121.788 120.400 0.003 0.000 2.234 190 K HA 0.151 4.475 4.320 0.007 0.000 0.277 190 K C 0.910 177.544 176.600 0.056 0.000 1.038 190 K CA -0.200 56.093 56.287 0.010 0.000 0.888 190 K CB 1.357 33.870 32.500 0.021 0.000 1.091 190 K HN -0.210 nan 8.250 nan 0.000 0.467 191 K N 0.729 121.147 120.400 0.031 0.000 2.049 191 K HA -0.270 4.054 4.320 0.007 0.000 0.219 191 K C 1.666 178.332 176.600 0.110 0.000 1.056 191 K CA 2.548 58.865 56.287 0.050 0.000 0.946 191 K CB -0.136 32.384 32.500 0.033 0.000 0.723 191 K HN 0.741 nan 8.250 nan 0.000 0.453 192 S N 0.602 116.373 115.700 0.118 0.000 2.453 192 S HA -0.070 4.404 4.470 0.007 0.000 0.231 192 S C 1.615 176.263 174.600 0.081 0.000 1.005 192 S CA 0.924 59.191 58.200 0.112 0.000 0.949 192 S CB -0.183 63.110 63.200 0.155 0.000 0.774 192 S HN 0.222 nan 8.310 nan 0.000 0.510 193 N N 1.074 119.860 118.700 0.143 0.000 2.106 193 N HA -0.054 4.690 4.740 0.007 0.000 0.188 193 N C 1.434 176.866 175.510 -0.129 0.000 1.029 193 N CA 1.508 54.611 53.050 0.087 0.000 0.848 193 N CB -0.723 37.947 38.487 0.306 0.000 1.007 193 N HN 0.626 nan 8.380 nan 0.000 0.423 194 Y N 2.119 122.351 120.300 -0.114 0.000 2.224 194 Y HA -0.138 4.416 4.550 0.007 0.000 0.289 194 Y C 1.897 177.708 175.900 -0.147 0.000 1.146 194 Y CA 1.609 59.627 58.100 -0.137 0.000 1.182 194 Y CB -0.087 38.329 38.460 -0.074 0.000 0.983 194 Y HN 0.136 nan 8.280 nan 0.000 0.524 195 E N -0.819 119.379 120.200 -0.003 0.000 2.333 195 E HA -0.151 4.203 4.350 0.007 0.000 0.198 195 E C 2.110 178.598 176.600 -0.187 0.000 1.007 195 E CA 1.032 57.390 56.400 -0.071 0.000 0.845 195 E CB -0.054 29.656 29.700 0.017 0.000 0.766 195 E HN 0.373 nan 8.360 nan 0.000 0.507 196 V N 1.140 120.875 119.914 -0.298 0.000 2.346 196 V HA -0.212 3.912 4.120 0.007 0.000 0.244 196 V C 2.222 178.068 176.094 -0.413 0.000 1.037 196 V CA 1.192 63.263 62.300 -0.382 0.000 1.029 196 V CB -0.358 31.112 31.823 -0.589 0.000 0.663 196 V HN 0.264 nan 8.190 nan 0.000 0.454 197 L N 0.042 120.938 121.223 -0.546 0.000 1.970 197 L HA -0.236 4.108 4.340 0.007 0.000 0.212 197 L C 2.678 179.408 176.870 -0.232 0.000 1.071 197 L CA 2.415 57.042 54.840 -0.355 0.000 0.751 197 L CB -0.723 41.105 42.059 -0.386 0.000 0.889 197 L HN 0.465 nan 8.230 nan 0.000 0.432 198 E N 0.802 120.766 120.200 -0.393 0.000 2.023 198 E HA -0.299 4.055 4.350 0.007 0.000 0.196 198 E C 2.117 178.631 176.600 -0.142 0.000 1.003 198 E CA 1.799 58.023 56.400 -0.294 0.000 0.809 198 E CB 0.028 29.492 29.700 -0.393 0.000 0.755 198 E HN 0.273 nan 8.360 nan 0.000 0.449 199 K N -0.855 119.464 120.400 -0.135 0.000 2.393 199 K HA -0.015 4.309 4.320 0.007 0.000 0.193 199 K C 0.768 177.328 176.600 -0.067 0.000 1.026 199 K CA 0.757 56.998 56.287 -0.077 0.000 1.064 199 K CB 0.490 32.956 32.500 -0.057 0.000 0.833 199 K HN 0.150 nan 8.250 nan 0.000 0.521 200 D N -1.191 119.157 120.400 -0.088 0.000 2.680 200 D HA -0.010 4.634 4.640 0.007 0.000 0.295 200 D C 1.533 177.809 176.300 -0.039 0.000 1.097 200 D CA 0.406 54.368 54.000 -0.063 0.000 0.952 200 D CB 0.376 41.127 40.800 -0.081 0.000 1.491 200 D HN -0.078 nan 8.370 nan 0.000 0.486 201 V N 0.593 120.482 119.914 -0.042 0.000 2.379 201 V HA 0.236 4.360 4.120 0.007 0.000 0.243 201 V C 0.957 177.050 176.094 -0.001 0.000 1.035 201 V CA 1.444 63.759 62.300 0.026 0.000 1.035 201 V CB -0.113 31.788 31.823 0.129 0.000 0.673 201 V HN 0.475 nan 8.190 nan 0.000 0.457 202 G N -0.481 108.316 108.800 -0.003 0.000 3.448 202 G HA2 -0.118 3.846 3.960 0.007 0.000 0.685 202 G HA3 -0.118 3.846 3.960 0.007 0.000 0.685 202 G C -0.081 174.826 174.900 0.013 0.000 1.151 202 G CA -0.204 44.880 45.100 -0.025 0.000 1.023 202 G HN 0.167 nan 8.290 nan 0.000 0.499 203 L N 2.398 123.680 121.223 0.097 0.000 2.275 203 L HA -0.080 4.264 4.340 0.007 0.000 0.215 203 L C 3.151 180.150 176.870 0.214 0.000 1.119 203 L CA 1.548 56.569 54.840 0.300 0.000 0.790 203 L CB -0.279 41.947 42.059 0.278 0.000 0.919 203 L HN 0.837 nan 8.230 nan 0.000 0.443 204 R N 0.701 121.227 120.500 0.044 0.000 2.170 204 R HA -0.219 4.125 4.340 0.007 0.000 0.242 204 R C 1.992 178.196 176.300 -0.160 0.000 1.145 204 R CA 1.399 57.486 56.100 -0.023 0.000 0.984 204 R CB -0.418 29.851 30.300 -0.052 0.000 0.869 204 R HN 0.199 nan 8.270 nan 0.000 0.455 205 R N -0.289 119.994 120.500 -0.363 0.000 2.193 205 R HA -0.009 4.335 4.340 0.007 0.000 0.229 205 R C 1.033 176.825 176.300 -0.846 0.000 1.110 205 R CA 1.701 57.376 56.100 -0.709 0.000 0.988 205 R CB -0.083 29.560 30.300 -1.095 0.000 0.871 205 R HN 0.385 nan 8.270 nan 0.000 0.458 206 F N -3.181 116.705 119.950 -0.107 0.000 2.740 206 F HA 0.345 4.877 4.527 0.007 0.000 0.304 206 F C 0.013 175.472 175.800 -0.569 0.000 1.098 206 F CA -0.647 57.127 58.000 -0.377 0.000 1.258 206 F CB 0.546 39.192 39.000 -0.589 0.000 1.061 206 F HN -0.246 nan 8.300 nan 0.000 0.598 207 F N 1.285 121.358 119.950 0.205 0.000 2.563 207 F HA 0.530 5.061 4.527 0.007 0.000 0.316 207 F C -2.463 173.362 175.800 0.042 0.000 1.076 207 F CA -2.996 55.097 58.000 0.154 0.000 0.921 207 F CB 1.135 40.234 39.000 0.166 0.000 1.209 207 F HN -0.380 nan 8.300 nan 0.000 0.462 208 P HA 0.081 nan 4.420 nan 0.000 0.275 208 P C 0.321 177.651 177.300 0.050 0.000 1.228 208 P CA -0.330 62.789 63.100 0.032 0.000 0.786 208 P CB 1.406 33.083 31.700 -0.039 0.000 0.927 209 K N 2.062 122.462 120.400 0.001 0.000 2.052 209 K HA -0.249 4.076 4.320 0.007 0.000 0.215 209 K C 2.056 178.660 176.600 0.007 0.000 1.053 209 K CA 2.770 59.057 56.287 -0.000 0.000 0.934 209 K CB -0.511 31.973 32.500 -0.026 0.000 0.717 209 K HN 0.589 nan 8.250 nan 0.000 0.450 210 S N 1.089 116.789 115.700 -0.000 0.000 2.359 210 S HA -0.211 4.263 4.470 0.007 0.000 0.224 210 S C 2.066 176.674 174.600 0.014 0.000 1.035 210 S CA 1.330 59.532 58.200 0.002 0.000 1.018 210 S CB -0.777 62.421 63.200 -0.004 0.000 0.876 210 S HN 0.431 nan 8.310 nan 0.000 0.448 211 L N 1.170 122.412 121.223 0.032 0.000 1.971 211 L HA -0.134 4.210 4.340 0.007 0.000 0.215 211 L C 2.631 179.507 176.870 0.010 0.000 1.072 211 L CA 2.008 56.866 54.840 0.031 0.000 0.758 211 L CB -0.559 41.540 42.059 0.066 0.000 0.889 211 L HN 0.409 nan 8.230 nan 0.000 0.433 212 L N -0.112 121.124 121.223 0.022 0.000 2.042 212 L HA -0.255 4.089 4.340 0.007 0.000 0.210 212 L C 2.013 178.887 176.870 0.007 0.000 1.076 212 L CA 2.110 56.957 54.840 0.012 0.000 0.749 212 L CB -0.888 41.194 42.059 0.038 0.000 0.893 212 L HN 0.485 nan 8.230 nan 0.000 0.432 213 D N -1.470 118.935 120.400 0.007 0.000 2.354 213 D HA -0.094 4.550 4.640 0.007 0.000 0.209 213 D C 1.987 178.288 176.300 0.001 0.000 1.015 213 D CA 0.766 54.768 54.000 0.003 0.000 0.867 213 D CB -0.048 40.752 40.800 0.000 0.000 0.933 213 D HN 0.242 nan 8.370 nan 0.000 0.520 214 S N -0.401 115.300 115.700 0.001 0.000 2.489 214 S HA 0.043 4.517 4.470 0.007 0.000 0.228 214 S C 0.681 175.280 174.600 -0.002 0.000 0.995 214 S CA -0.327 57.873 58.200 0.000 0.000 0.934 214 S CB 0.089 63.291 63.200 0.003 0.000 0.771 214 S HN 0.164 nan 8.310 nan 0.000 0.522 215 V N 1.133 121.044 119.914 -0.005 0.000 2.876 215 V HA 0.405 4.529 4.120 0.007 0.000 0.312 215 V C -0.807 175.282 176.094 -0.007 0.000 1.085 215 V CA -1.273 61.022 62.300 -0.008 0.000 0.945 215 V CB 2.069 33.883 31.823 -0.015 0.000 1.017 215 V HN 0.230 nan 8.190 nan 0.000 0.428 216 K N 3.121 123.516 120.400 -0.008 0.000 2.484 216 K HA 0.209 4.533 4.320 0.007 0.000 0.280 216 K C 1.314 177.912 176.600 -0.004 0.000 1.013 216 K CA 0.601 56.885 56.287 -0.006 0.000 1.029 216 K CB 1.180 33.674 32.500 -0.010 0.000 0.902 216 K HN 0.871 nan 8.250 nan 0.000 0.481 217 A N 5.355 128.182 122.820 0.011 0.000 1.896 217 A HA -0.276 4.048 4.320 0.007 0.000 0.220 217 A C 1.825 179.416 177.584 0.013 0.000 1.206 217 A CA 1.901 53.959 52.037 0.036 0.000 0.647 217 A CB -0.297 18.733 19.000 0.050 0.000 0.828 217 A HN 0.859 nan 8.150 nan 0.000 0.455 218 K N -1.406 118.987 120.400 -0.013 0.000 2.063 218 K HA -0.120 4.204 4.320 0.007 0.000 0.208 218 K C 2.210 178.761 176.600 -0.081 0.000 1.048 218 K CA 1.819 58.075 56.287 -0.052 0.000 0.928 218 K CB -0.467 32.010 32.500 -0.038 0.000 0.713 218 K HN 0.520 nan 8.250 nan 0.000 0.442 219 T N 1.808 116.329 114.554 -0.054 0.000 2.708 219 T HA -0.134 4.221 4.350 0.007 0.000 0.266 219 T C 1.720 176.377 174.700 -0.072 0.000 1.037 219 T CA 1.133 63.199 62.100 -0.057 0.000 1.146 219 T CB -0.237 68.609 68.868 -0.036 0.000 0.865 219 T HN 0.100 nan 8.240 nan 0.000 0.435 220 L N 1.622 122.811 121.223 -0.057 0.000 2.042 220 L HA -0.071 4.273 4.340 0.007 0.000 0.210 220 L C 2.482 179.294 176.870 -0.096 0.000 1.076 220 L CA 1.810 56.614 54.840 -0.060 0.000 0.749 220 L CB -0.613 41.432 42.059 -0.023 0.000 0.893 220 L HN 0.095 nan 8.230 nan 0.000 0.432 221 R N -0.088 120.295 120.500 -0.196 0.000 2.115 221 R HA -0.300 4.045 4.340 0.007 0.000 0.239 221 R C 2.486 178.571 176.300 -0.358 0.000 1.133 221 R CA 2.547 58.280 56.100 -0.611 0.000 0.935 221 R CB -0.425 29.375 30.300 -0.833 0.000 0.853 221 R HN 0.442 nan 8.270 nan 0.000 0.433 222 K N 0.315 120.579 120.400 -0.228 0.000 2.032 222 K HA -0.155 4.169 4.320 0.007 0.000 0.209 222 K C 2.313 178.867 176.600 -0.077 0.000 1.048 222 K CA 1.647 57.851 56.287 -0.138 0.000 0.927 222 K CB -0.189 32.252 32.500 -0.099 0.000 0.712 222 K HN 0.191 nan 8.250 nan 0.000 0.441 223 L N 0.830 122.016 121.223 -0.062 0.000 1.956 223 L HA -0.262 4.082 4.340 0.007 0.000 0.216 223 L C 2.474 179.354 176.870 0.017 0.000 1.073 223 L CA 1.618 56.445 54.840 -0.021 0.000 0.762 223 L CB -0.561 41.482 42.059 -0.028 0.000 0.889 223 L HN 0.272 nan 8.230 nan 0.000 0.433 224 I N -0.584 119.992 120.570 0.009 0.000 2.143 224 I HA -0.424 3.750 4.170 0.007 0.000 0.245 224 I C 2.772 178.971 176.117 0.137 0.000 1.068 224 I CA 1.596 62.957 61.300 0.102 0.000 1.326 224 I CB -0.470 37.603 38.000 0.122 0.000 1.028 224 I HN 0.446 nan 8.210 nan 0.000 0.412 225 Q N 0.235 120.057 119.800 0.036 0.000 2.045 225 Q HA -0.300 4.044 4.340 0.007 0.000 0.206 225 Q C 2.278 178.336 176.000 0.096 0.000 0.991 225 Q CA 1.926 57.752 55.803 0.038 0.000 0.851 225 Q CB -0.268 28.442 28.738 -0.046 0.000 0.911 225 Q HN 0.629 nan 8.270 nan 0.000 0.418 226 Q N -0.282 119.549 119.800 0.052 0.000 2.050 226 Q HA -0.143 4.201 4.340 0.007 0.000 0.202 226 Q C 2.173 178.200 176.000 0.045 0.000 0.980 226 Q CA 1.779 57.604 55.803 0.036 0.000 0.840 226 Q CB -0.287 28.456 28.738 0.008 0.000 0.898 226 Q HN 0.408 nan 8.270 nan 0.000 0.424 227 T N -1.472 113.135 114.554 0.089 0.000 3.118 227 T HA -0.059 4.295 4.350 0.007 0.000 0.260 227 T C 1.188 175.947 174.700 0.097 0.000 1.139 227 T CA 0.164 62.307 62.100 0.072 0.000 1.085 227 T CB -0.163 68.796 68.868 0.151 0.000 0.934 227 T HN 0.272 nan 8.240 nan 0.000 0.518 228 F N 1.745 121.726 119.950 0.052 0.000 2.473 228 F HA 0.313 4.844 4.527 0.007 0.000 0.294 228 F C 2.319 178.100 175.800 -0.032 0.000 1.103 228 F CA -0.077 57.990 58.000 0.112 0.000 1.442 228 F CB -0.016 39.077 39.000 0.155 0.000 1.097 228 F HN -0.041 nan 8.300 nan 0.000 0.547 229 R N 0.884 121.416 120.500 0.052 0.000 2.159 229 R HA -0.294 4.050 4.340 0.007 0.000 0.249 229 R C 2.163 178.335 176.300 -0.214 0.000 1.136 229 R CA 2.477 58.553 56.100 -0.040 0.000 0.951 229 R CB -1.383 28.888 30.300 -0.048 0.000 0.876 229 R HN 0.578 nan 8.270 nan 0.000 0.440 230 Q N -0.794 118.757 119.800 -0.415 0.000 2.230 230 Q HA -0.053 4.291 4.340 0.007 0.000 0.202 230 Q C 1.412 177.131 176.000 -0.467 0.000 0.963 230 Q CA 1.243 56.749 55.803 -0.495 0.000 0.866 230 Q CB -0.197 28.125 28.738 -0.695 0.000 0.931 230 Q HN 0.402 nan 8.270 nan 0.000 0.452 231 F N 0.534 120.321 119.950 -0.272 0.000 2.732 231 F HA 0.419 4.950 4.527 0.007 0.000 0.303 231 F C 2.050 177.541 175.800 -0.515 0.000 1.110 231 F CA -0.230 57.557 58.000 -0.356 0.000 1.355 231 F CB 0.199 38.984 39.000 -0.358 0.000 1.081 231 F HN 0.133 nan 8.300 nan 0.000 0.565 232 A N 0.737 123.333 122.820 -0.374 0.000 1.972 232 A HA -0.163 4.161 4.320 0.007 0.000 0.219 232 A C 1.773 179.300 177.584 -0.095 0.000 1.169 232 A CA 1.548 53.416 52.037 -0.281 0.000 0.635 232 A CB -0.358 18.595 19.000 -0.079 0.000 0.810 232 A HN 0.330 nan 8.150 nan 0.000 0.446 233 N N -0.733 117.928 118.700 -0.065 0.000 2.204 233 N HA 0.205 4.949 4.740 0.007 0.000 0.219 233 N C -0.926 174.575 175.510 -0.015 0.000 1.151 233 N CA -0.068 52.967 53.050 -0.024 0.000 0.867 233 N CB 0.479 38.956 38.487 -0.018 0.000 1.043 233 N HN 0.218 nan 8.380 nan 0.000 0.516 234 L N 2.419 123.630 121.223 -0.020 0.000 2.319 234 L HA 0.146 4.490 4.340 0.007 0.000 0.280 234 L C 0.820 177.678 176.870 -0.019 0.000 1.099 234 L CA -0.483 54.350 54.840 -0.011 0.000 0.828 234 L CB 0.341 42.398 42.059 -0.002 0.000 1.150 234 L HN 0.192 nan 8.230 nan 0.000 0.442 235 N N 3.022 121.713 118.700 -0.016 0.000 2.317 235 N HA 0.134 4.878 4.740 0.007 0.000 0.245 235 N C 0.885 176.369 175.510 -0.043 0.000 1.294 235 N CA -0.055 52.983 53.050 -0.021 0.000 0.924 235 N CB 0.517 38.996 38.487 -0.013 0.000 1.186 235 N HN 0.429 nan 8.380 nan 0.000 0.495 236 R N -0.278 120.192 120.500 -0.050 0.000 2.097 236 R HA -0.228 4.116 4.340 0.007 0.000 0.236 236 R C 1.819 178.049 176.300 -0.116 0.000 1.135 236 R CA 2.109 58.155 56.100 -0.090 0.000 0.934 236 R CB -0.583 29.671 30.300 -0.076 0.000 0.846 236 R HN 0.865 nan 8.270 nan 0.000 0.431 237 E N 1.075 121.235 120.200 -0.066 0.000 2.097 237 E HA -0.256 4.098 4.350 0.007 0.000 0.196 237 E C 1.669 178.246 176.600 -0.039 0.000 1.000 237 E CA 1.741 58.117 56.400 -0.041 0.000 0.804 237 E CB 0.063 29.766 29.700 0.006 0.000 0.740 237 E HN 0.395 nan 8.360 nan 0.000 0.454 238 E N -0.232 119.948 120.200 -0.033 0.000 2.150 238 E HA -0.111 4.243 4.350 0.007 0.000 0.193 238 E C 2.157 178.727 176.600 -0.050 0.000 0.985 238 E CA 1.168 57.558 56.400 -0.017 0.000 0.814 238 E CB 0.120 29.817 29.700 -0.005 0.000 0.752 238 E HN 0.180 nan 8.360 nan 0.000 0.466 239 S N 0.715 116.349 115.700 -0.110 0.000 2.371 239 S HA -0.093 4.381 4.470 0.007 0.000 0.224 239 S C 2.033 176.496 174.600 -0.228 0.000 1.029 239 S CA 0.692 58.789 58.200 -0.172 0.000 0.978 239 S CB -0.141 62.940 63.200 -0.198 0.000 0.833 239 S HN 0.200 nan 8.310 nan 0.000 0.466 240 I N 1.847 122.214 120.570 -0.338 0.000 2.127 240 I HA -0.205 3.969 4.170 0.007 0.000 0.241 240 I C 2.130 178.176 176.117 -0.118 0.000 1.075 240 I CA 1.247 62.254 61.300 -0.488 0.000 1.334 240 I CB -0.564 37.138 38.000 -0.497 0.000 1.040 240 I HN 0.226 nan 8.210 nan 0.000 0.405 241 L N 0.365 121.631 121.223 0.071 0.000 2.083 241 L HA -0.211 4.133 4.340 0.007 0.000 0.209 241 L C 2.590 179.577 176.870 0.196 0.000 1.083 241 L CA 1.255 56.241 54.840 0.244 0.000 0.752 241 L CB -0.642 41.518 42.059 0.169 0.000 0.899 241 L HN 0.182 nan 8.230 nan 0.000 0.433 242 K N 0.317 120.762 120.400 0.074 0.000 2.148 242 K HA -0.188 4.136 4.320 0.007 0.000 0.204 242 K C 1.920 178.530 176.600 0.017 0.000 1.050 242 K CA 1.286 57.595 56.287 0.037 0.000 0.942 242 K CB -0.404 32.073 32.500 -0.038 0.000 0.724 242 K HN 0.120 nan 8.250 nan 0.000 0.446 243 F N -0.233 119.606 119.950 -0.185 0.000 2.075 243 F HA -0.157 4.374 4.527 0.007 0.000 0.297 243 F C 1.632 177.362 175.800 -0.118 0.000 1.113 243 F CA 1.694 59.548 58.000 -0.243 0.000 1.218 243 F CB -0.352 38.441 39.000 -0.345 0.000 0.984 243 F HN 0.021 nan 8.300 nan 0.000 0.472 244 F N 0.729 120.870 119.950 0.319 0.000 2.095 244 F HA -0.249 4.282 4.527 0.007 0.000 0.298 244 F C 2.680 178.636 175.800 0.260 0.000 1.104 244 F CA 1.658 59.832 58.000 0.289 0.000 1.232 244 F CB -0.674 38.504 39.000 0.297 0.000 0.987 244 F HN 0.097 nan 8.300 nan 0.000 0.475 245 E N 0.843 121.264 120.200 0.368 0.000 2.110 245 E HA -0.225 4.129 4.350 0.007 0.000 0.193 245 E C 2.120 178.801 176.600 0.134 0.000 0.988 245 E CA 1.411 57.944 56.400 0.222 0.000 0.804 245 E CB -0.198 29.595 29.700 0.155 0.000 0.745 245 E HN 0.472 nan 8.360 nan 0.000 0.458 246 I N 0.410 121.012 120.570 0.053 0.000 2.406 246 I HA -0.176 3.998 4.170 0.007 0.000 0.249 246 I C 2.371 178.471 176.117 -0.029 0.000 1.122 246 I CA 0.224 61.513 61.300 -0.017 0.000 1.431 246 I CB 0.005 37.939 38.000 -0.111 0.000 1.087 246 I HN 0.214 nan 8.210 nan 0.000 0.424 247 L N 0.308 121.499 121.223 -0.054 0.000 2.068 247 L HA -0.132 4.212 4.340 0.007 0.000 0.204 247 L C 2.710 179.714 176.870 0.223 0.000 1.076 247 L CA 2.116 56.948 54.840 -0.014 0.000 0.753 247 L CB -0.749 41.219 42.059 -0.151 0.000 0.910 247 L HN 0.298 nan 8.230 nan 0.000 0.439 248 S N 0.289 116.197 115.700 0.346 0.000 2.374 248 S HA -0.099 4.375 4.470 0.007 0.000 0.227 248 S C -0.247 174.366 174.600 0.022 0.000 1.037 248 S CA 1.539 59.816 58.200 0.128 0.000 1.024 248 S CB -1.956 61.253 63.200 0.015 0.000 0.861 248 S HN 0.401 nan 8.310 nan 0.000 0.456 249 P HA 0.056 nan 4.420 nan 0.000 0.227 249 P C 0.931 178.257 177.300 0.043 0.000 1.145 249 P CA 0.692 63.809 63.100 0.028 0.000 0.769 249 P CB 0.045 31.768 31.700 0.037 0.000 0.769 250 V N -3.980 115.985 119.914 0.085 0.000 3.432 250 V HA 0.270 4.394 4.120 0.007 0.000 0.290 250 V C -1.202 175.029 176.094 0.227 0.000 1.591 250 V CA -0.322 62.049 62.300 0.118 0.000 1.069 250 V CB 0.236 32.123 31.823 0.106 0.000 0.892 250 V HN -0.087 nan 8.190 nan 0.000 0.436 251 Y N 1.153 121.487 120.300 0.055 0.000 2.401 251 Y HA 0.552 5.107 4.550 0.007 0.000 0.330 251 Y C -0.125 175.775 175.900 -0.000 0.000 1.071 251 Y CA -1.169 56.983 58.100 0.087 0.000 1.049 251 Y CB 1.478 40.056 38.460 0.195 0.000 1.239 251 Y HN 0.029 nan 8.280 nan 0.000 0.437 252 R N 6.960 127.109 120.500 -0.584 0.000 3.436 252 R HA 0.161 4.505 4.340 0.007 0.000 0.247 252 R C 0.009 175.904 176.300 -0.674 0.000 1.434 252 R CA -0.280 55.472 56.100 -0.581 0.000 1.543 252 R CB -0.398 29.711 30.300 -0.318 0.000 1.289 252 R HN 0.695 nan 8.270 nan 0.000 0.664 253 F N -0.124 119.574 119.950 -0.422 0.000 2.771 253 F HA 0.009 4.541 4.527 0.007 0.000 0.299 253 F C 1.177 176.963 175.800 -0.024 0.000 1.177 253 F CA -0.035 57.842 58.000 -0.206 0.000 1.450 253 F CB -0.138 38.873 39.000 0.018 0.000 1.114 253 F HN 0.181 nan 8.300 nan 0.000 0.587 254 D N 1.312 121.549 120.400 -0.271 0.000 2.305 254 D HA -0.026 4.618 4.640 0.007 0.000 0.206 254 D C 0.349 176.618 176.300 -0.051 0.000 0.974 254 D CA 0.277 54.242 54.000 -0.059 0.000 0.871 254 D CB -0.022 40.809 40.800 0.052 0.000 0.947 254 D HN 0.531 nan 8.370 nan 0.000 0.516 255 K N 0.027 120.377 120.400 -0.083 0.000 2.443 255 K HA 0.566 4.890 4.320 0.007 0.000 0.251 255 K C -1.022 175.543 176.600 -0.058 0.000 0.972 255 K CA -0.869 55.397 56.287 -0.035 0.000 0.833 255 K CB 2.306 34.786 32.500 -0.033 0.000 1.317 255 K HN -0.265 nan 8.250 nan 0.000 0.441 256 E N 1.161 121.347 120.200 -0.023 0.000 2.145 256 E HA 0.300 4.654 4.350 0.007 0.000 0.270 256 E C -1.056 175.398 176.600 -0.243 0.000 0.906 256 E CA -0.941 55.373 56.400 -0.143 0.000 0.761 256 E CB 1.701 31.361 29.700 -0.067 0.000 1.116 256 E HN 0.486 nan 8.360 nan 0.000 0.408 257 C N 3.407 122.478 119.300 -0.383 0.000 2.358 257 C HA 0.575 5.040 4.460 0.007 0.000 0.342 257 C C -0.473 174.171 174.990 -0.577 0.000 1.234 257 C CA -0.734 58.114 59.018 -0.284 0.000 1.969 257 C CB -0.506 27.154 27.740 -0.133 0.000 2.346 257 C HN 0.607 nan 8.230 nan 0.000 0.525 258 F N 0.812 120.800 119.950 0.062 0.000 2.556 258 F HA 0.429 4.960 4.527 0.007 0.000 0.314 258 F C 0.307 176.142 175.800 0.059 0.000 1.106 258 F CA -0.782 57.256 58.000 0.064 0.000 0.911 258 F CB 1.257 40.296 39.000 0.066 0.000 1.190 258 F HN 0.363 nan 8.300 nan 0.000 0.448 259 K N 3.205 123.741 120.400 0.226 0.000 2.263 259 K HA 0.576 4.900 4.320 0.007 0.000 0.282 259 K C -1.153 175.535 176.600 0.147 0.000 1.089 259 K CA -0.296 56.082 56.287 0.152 0.000 0.907 259 K CB 0.459 33.022 32.500 0.105 0.000 1.148 259 K HN 0.766 nan 8.250 nan 0.000 0.470 260 C N -0.064 119.308 119.300 0.120 0.000 3.170 260 C HA 0.798 5.262 4.460 0.007 0.000 0.319 260 C C -0.379 174.640 174.990 0.048 0.000 1.260 260 C CA -1.403 57.663 59.018 0.081 0.000 1.374 260 C CB 0.664 28.450 27.740 0.077 0.000 1.739 260 C HN 0.761 nan 8.230 nan 0.000 0.479 261 A N 2.118 124.952 122.820 0.024 0.000 2.309 261 A HA 0.733 5.057 4.320 0.007 0.000 0.298 261 A C -0.422 177.150 177.584 -0.021 0.000 1.165 261 A CA -0.467 51.572 52.037 0.004 0.000 0.821 261 A CB 0.361 19.364 19.000 0.006 0.000 1.102 261 A HN 0.982 nan 8.150 nan 0.000 0.500 262 L N 1.453 122.648 121.223 -0.046 0.000 2.387 262 L HA 0.756 5.100 4.340 0.007 0.000 0.266 262 L C 0.824 177.661 176.870 -0.056 0.000 1.059 262 L CA 0.253 55.051 54.840 -0.071 0.000 0.801 262 L CB 1.640 43.619 42.059 -0.133 0.000 1.223 262 L HN 1.157 nan 8.230 nan 0.000 0.456 263 G N 0.329 109.083 108.800 -0.076 0.000 2.406 263 G HA2 -0.062 3.902 3.960 0.007 0.000 0.680 263 G HA3 -0.062 3.902 3.960 0.007 0.000 0.680 263 G C -0.506 174.260 174.900 -0.224 0.000 1.338 263 G CA -0.210 44.831 45.100 -0.098 0.000 0.941 263 G HN 0.573 nan 8.290 nan 0.000 0.633 264 S N -0.395 115.022 115.700 -0.471 0.000 2.582 264 S HA 0.342 4.816 4.470 0.007 0.000 0.159 264 S C 2.237 176.560 174.600 -0.461 0.000 0.918 264 S CA 0.996 58.851 58.200 -0.576 0.000 1.287 264 S CB -0.276 62.327 63.200 -0.995 0.000 0.667 264 S HN 0.973 nan 8.310 nan 0.000 0.462 265 S N 0.820 116.139 115.700 -0.634 0.000 2.528 265 S HA 0.121 4.596 4.470 0.007 0.000 0.219 265 S C -0.264 174.256 174.600 -0.134 0.000 0.985 265 S CA 0.019 58.032 58.200 -0.310 0.000 0.914 265 S CB -0.058 63.018 63.200 -0.207 0.000 0.776 265 S HN 0.558 nan 8.310 nan 0.000 0.526 266 W N 1.326 122.616 121.300 -0.016 0.000 2.376 266 W HA 0.679 5.343 4.660 0.007 0.000 0.312 266 W C -0.948 175.556 176.519 -0.026 0.000 1.060 266 W CA -1.427 55.906 57.345 -0.019 0.000 1.221 266 W CB -0.297 29.151 29.460 -0.019 0.000 1.281 266 W HN -0.111 nan 8.180 nan 0.000 0.456 267 I N 5.154 125.818 120.570 0.158 0.000 2.436 267 I HA 0.333 4.507 4.170 0.007 0.000 0.289 267 I C -0.039 176.115 176.117 0.063 0.000 1.010 267 I CA -0.991 60.352 61.300 0.071 0.000 1.098 267 I CB 1.694 39.708 38.000 0.023 0.000 1.266 267 I HN 0.319 nan 8.210 nan 0.000 0.434 268 I N 2.319 122.909 120.570 0.034 0.000 3.133 268 I HA 0.645 4.819 4.170 0.007 0.000 0.311 268 I C -0.237 175.875 176.117 -0.008 0.000 1.072 268 I CA -0.613 60.693 61.300 0.010 0.000 1.015 268 I CB 1.992 39.986 38.000 -0.010 0.000 1.233 268 I HN 0.290 nan 8.210 nan 0.000 0.473 269 S N 1.497 117.198 115.700 0.001 0.000 2.596 269 S HA 0.851 5.325 4.470 0.007 0.000 0.318 269 S C -0.630 173.990 174.600 0.034 0.000 1.097 269 S CA -0.438 57.774 58.200 0.019 0.000 1.080 269 S CB 0.689 63.908 63.200 0.031 0.000 0.991 269 S HN 0.830 nan 8.310 nan 0.000 0.471 270 V N 1.835 121.775 119.914 0.044 0.000 3.182 270 V HA 0.698 4.822 4.120 0.007 0.000 0.308 270 V C -0.788 175.375 176.094 0.115 0.000 1.240 270 V CA -1.092 61.265 62.300 0.096 0.000 1.063 270 V CB 1.918 33.803 31.823 0.103 0.000 1.076 270 V HN 0.774 nan 8.190 nan 0.000 0.446 271 E N 1.544 121.830 120.200 0.143 0.000 2.073 271 E HA 0.417 4.771 4.350 0.007 0.000 0.269 271 E C -0.999 175.704 176.600 0.171 0.000 0.917 271 E CA -0.610 55.873 56.400 0.138 0.000 0.757 271 E CB 1.214 30.972 29.700 0.096 0.000 1.111 271 E HN 0.743 nan 8.360 nan 0.000 0.410 272 L N 3.164 124.510 121.223 0.205 0.000 2.456 272 L HA 0.306 4.650 4.340 0.007 0.000 0.272 272 L C -0.192 176.818 176.870 0.234 0.000 1.189 272 L CA 0.116 55.093 54.840 0.227 0.000 0.846 272 L CB 0.958 43.161 42.059 0.240 0.000 1.111 272 L HN 0.687 nan 8.230 nan 0.000 0.475 273 A N 6.484 129.410 122.820 0.175 0.000 2.357 273 A HA 0.676 5.001 4.320 0.007 0.000 0.295 273 A C -0.774 176.889 177.584 0.133 0.000 1.121 273 A CA -0.490 51.622 52.037 0.125 0.000 0.742 273 A CB 0.886 19.917 19.000 0.052 0.000 1.181 273 A HN 0.627 nan 8.150 nan 0.000 0.454 274 I N 2.407 123.091 120.570 0.190 0.000 2.389 274 I HA 0.682 4.856 4.170 0.007 0.000 0.288 274 I C 0.570 176.787 176.117 0.167 0.000 0.999 274 I CA -0.266 61.169 61.300 0.224 0.000 1.129 274 I CB 2.205 40.417 38.000 0.353 0.000 1.288 274 I HN 0.762 nan 8.210 nan 0.000 0.444 275 G N 6.029 114.901 108.800 0.120 0.000 2.698 275 G HA2 0.449 4.413 3.960 0.007 0.000 0.293 275 G HA3 0.449 4.413 3.960 0.007 0.000 0.293 275 G C -2.720 172.187 174.900 0.012 0.000 1.437 275 G CA -0.756 44.364 45.100 0.034 0.000 0.852 275 G HN 0.287 nan 8.290 nan 0.000 0.499 276 P HA 0.021 nan 4.420 nan 0.000 0.225 276 P C 0.711 178.080 177.300 0.115 0.000 1.156 276 P CA 0.940 64.073 63.100 0.055 0.000 0.787 276 P CB 0.586 32.401 31.700 0.193 0.000 0.802 277 E N 0.029 120.280 120.200 0.085 0.000 2.479 277 E HA -0.016 4.338 4.350 0.007 0.000 0.193 277 E C 1.251 177.836 176.600 -0.025 0.000 1.049 277 E CA 0.552 56.974 56.400 0.037 0.000 0.870 277 E CB 0.307 30.034 29.700 0.046 0.000 0.944 277 E HN 0.566 nan 8.360 nan 0.000 0.492 278 E N -0.887 119.284 120.200 -0.049 0.000 2.641 278 E HA 0.138 4.492 4.350 0.007 0.000 0.201 278 E C 1.233 177.747 176.600 -0.143 0.000 0.921 278 E CA 0.706 57.050 56.400 -0.093 0.000 1.551 278 E CB 0.304 29.969 29.700 -0.058 0.000 1.640 278 E HN 0.046 nan 8.360 nan 0.000 0.906 279 G N 2.505 111.119 108.800 -0.309 0.000 2.728 279 G HA2 -0.260 3.704 3.960 0.007 0.000 0.269 279 G HA3 -0.260 3.704 3.960 0.007 0.000 0.269 279 G C -0.263 174.282 174.900 -0.591 0.000 1.334 279 G CA 0.123 44.689 45.100 -0.890 0.000 0.974 279 G HN 0.201 nan 8.290 nan 0.000 0.550 280 I N 1.712 122.049 120.570 -0.387 0.000 2.476 280 I HA 0.551 4.726 4.170 0.007 0.000 0.281 280 I C -0.238 175.810 176.117 -0.115 0.000 1.040 280 I CA -0.436 60.739 61.300 -0.209 0.000 1.094 280 I CB 1.920 39.790 38.000 -0.216 0.000 1.219 280 I HN 0.385 nan 8.210 nan 0.000 0.450 281 S N 4.357 120.049 115.700 -0.013 0.000 2.648 281 S HA 0.751 5.225 4.470 0.007 0.000 0.305 281 S C -0.943 173.717 174.600 0.100 0.000 1.094 281 S CA -0.618 57.588 58.200 0.010 0.000 0.983 281 S CB 1.941 65.130 63.200 -0.018 0.000 1.101 281 S HN 0.565 nan 8.310 nan 0.000 0.514 282 Y N -0.041 120.259 120.300 -0.001 0.000 2.698 282 Y HA 0.893 5.447 4.550 0.007 0.000 0.332 282 Y C -1.219 174.691 175.900 0.016 0.000 1.119 282 Y CA -1.487 56.622 58.100 0.015 0.000 1.109 282 Y CB 0.587 39.055 38.460 0.014 0.000 1.308 282 Y HN 0.652 nan 8.280 nan 0.000 0.499 283 L N -2.319 118.995 121.223 0.151 0.000 2.869 283 L HA 0.825 5.169 4.340 0.007 0.000 0.265 283 L C -0.728 176.259 176.870 0.193 0.000 1.011 283 L CA -0.203 54.663 54.840 0.043 0.000 0.913 283 L CB 1.723 43.754 42.059 -0.047 0.000 1.490 283 L HN 0.869 nan 8.230 nan 0.000 0.410 284 T N -3.415 111.223 114.554 0.139 0.000 3.467 284 T HA 0.268 4.622 4.350 0.007 0.000 0.258 284 T C 0.087 174.824 174.700 0.063 0.000 0.999 284 T CA 0.557 62.723 62.100 0.110 0.000 1.148 284 T CB -0.307 68.635 68.868 0.124 0.000 1.186 284 T HN 0.864 nan 8.240 nan 0.000 0.401 285 D N 2.169 122.602 120.400 0.055 0.000 3.334 285 D HA -0.236 4.408 4.640 0.007 0.000 0.173 285 D C 0.889 177.204 176.300 0.024 0.000 1.168 285 D CA 2.029 56.047 54.000 0.029 0.000 0.991 285 D CB -0.371 40.433 40.800 0.007 0.000 0.522 285 D HN 0.564 nan 8.370 nan 0.000 0.532 286 K N -0.902 119.507 120.400 0.015 0.000 2.722 286 K HA 0.370 4.694 4.320 0.007 0.000 0.239 286 K C 1.770 178.375 176.600 0.009 0.000 1.658 286 K CA 0.253 56.548 56.287 0.014 0.000 0.908 286 K CB -0.284 32.223 32.500 0.013 0.000 2.016 286 K HN 0.380 nan 8.250 nan 0.000 0.370 287 G N 1.419 110.221 108.800 0.003 0.000 2.641 287 G HA2 0.337 4.301 3.960 0.007 0.000 0.207 287 G HA3 0.337 4.301 3.960 0.007 0.000 0.207 287 G C 0.730 175.624 174.900 -0.010 0.000 1.137 287 G CA 0.416 45.516 45.100 -0.001 0.000 0.824 287 G HN 0.510 nan 8.290 nan 0.000 0.547 288 A N 0.454 123.268 122.820 -0.011 0.000 2.532 288 A HA 0.411 4.735 4.320 0.007 0.000 0.248 288 A C 1.069 178.633 177.584 -0.033 0.000 1.118 288 A CA 0.583 52.608 52.037 -0.020 0.000 0.805 288 A CB -1.187 17.803 19.000 -0.016 0.000 1.068 288 A HN 1.352 nan 8.150 nan 0.000 0.518 289 N N 1.078 119.753 118.700 -0.042 0.000 2.121 289 N HA 0.271 5.015 4.740 0.007 0.000 0.260 289 N C -1.529 173.927 175.510 -0.091 0.000 1.229 289 N CA 0.562 53.576 53.050 -0.061 0.000 0.830 289 N CB -1.063 37.388 38.487 -0.060 0.000 1.073 289 N HN 0.749 nan 8.380 nan 0.000 0.465 290 P HA 0.502 nan 4.420 nan 0.000 0.306 290 P C -0.686 176.467 177.300 -0.244 0.000 1.309 290 P CA -0.134 62.861 63.100 -0.174 0.000 0.759 290 P CB 0.739 32.365 31.700 -0.124 0.000 1.314 291 T N -0.904 113.411 114.554 -0.398 0.000 2.921 291 T HA 0.259 4.613 4.350 0.007 0.000 0.297 291 T C -0.509 174.071 174.700 -0.200 0.000 1.013 291 T CA -0.221 61.644 62.100 -0.392 0.000 0.990 291 T CB 0.480 68.887 68.868 -0.768 0.000 1.023 291 T HN 0.412 nan 8.240 nan 0.000 0.447 292 H N 1.742 120.723 119.070 -0.148 0.000 2.771 292 H HA 0.388 4.948 4.556 0.007 0.000 0.364 292 H C 0.301 175.628 175.328 -0.003 0.000 1.133 292 H CA -0.060 55.937 56.048 -0.085 0.000 1.423 292 H CB 0.469 30.183 29.762 -0.081 0.000 1.425 292 H HN 0.549 nan 8.280 nan 0.000 0.606 293 L N 2.198 123.092 121.223 -0.549 0.000 2.664 293 L HA 0.534 4.879 4.340 0.007 0.000 0.198 293 L C 0.053 176.560 176.870 -0.605 0.000 1.057 293 L CA 0.554 55.174 54.840 -0.365 0.000 0.871 293 L CB 0.275 42.252 42.059 -0.137 0.000 1.364 293 L HN 0.657 nan 8.230 nan 0.000 0.483 294 A N -0.605 121.724 122.820 -0.818 0.000 2.555 294 A HA 0.496 4.820 4.320 0.007 0.000 0.297 294 A C -1.863 175.485 177.584 -0.393 0.000 1.060 294 A CA -0.616 51.129 52.037 -0.486 0.000 0.710 294 A CB 1.122 19.973 19.000 -0.249 0.000 1.282 294 A HN -0.017 nan 8.150 nan 0.000 0.399 295 D N 1.265 121.583 120.400 -0.137 0.000 2.255 295 D HA 0.407 5.051 4.640 0.007 0.000 0.249 295 D C 0.836 177.008 176.300 -0.213 0.000 1.078 295 D CA -0.080 53.820 54.000 -0.167 0.000 0.896 295 D CB 0.655 41.450 40.800 -0.007 0.000 1.194 295 D HN 0.435 nan 8.370 nan 0.000 0.429 296 F N 1.179 121.094 119.950 -0.058 0.000 2.202 296 F HA -0.233 4.298 4.527 0.007 0.000 0.301 296 F C 2.120 177.855 175.800 -0.108 0.000 1.082 296 F CA 0.540 58.479 58.000 -0.101 0.000 1.313 296 F CB -0.299 38.638 39.000 -0.106 0.000 1.024 296 F HN 0.328 nan 8.300 nan 0.000 0.495 297 N N 0.737 119.492 118.700 0.092 0.000 2.627 297 N HA -0.143 4.601 4.740 0.007 0.000 0.196 297 N C 0.722 176.242 175.510 0.017 0.000 1.268 297 N CA 0.772 53.846 53.050 0.039 0.000 0.904 297 N CB -0.568 37.945 38.487 0.044 0.000 1.016 297 N HN 0.483 nan 8.380 nan 0.000 0.448 298 Q N -0.725 119.076 119.800 0.000 0.000 2.179 298 Q HA 0.230 4.574 4.340 0.007 0.000 0.244 298 Q C -0.536 175.462 176.000 -0.003 0.000 0.808 298 Q CA -0.129 55.674 55.803 -0.001 0.000 0.955 298 Q CB 1.443 30.172 28.738 -0.015 0.000 1.141 298 Q HN 0.162 nan 8.270 nan 0.000 0.485 299 V N 2.349 122.248 119.914 -0.024 0.000 2.415 299 V HA -0.020 4.104 4.120 0.007 0.000 0.267 299 V C 1.048 177.162 176.094 0.033 0.000 1.042 299 V CA 0.562 62.849 62.300 -0.022 0.000 1.000 299 V CB 1.020 32.808 31.823 -0.058 0.000 1.015 299 V HN 0.318 nan 8.190 nan 0.000 0.478 300 Q N 2.854 122.701 119.800 0.078 0.000 2.033 300 Q HA 0.009 4.353 4.340 0.007 0.000 0.196 300 Q C 1.010 177.138 176.000 0.213 0.000 0.970 300 Q CA 1.498 57.386 55.803 0.141 0.000 0.828 300 Q CB 0.428 29.215 28.738 0.082 0.000 0.895 300 Q HN 0.951 nan 8.270 nan 0.000 0.440 301 T N -2.521 112.114 114.554 0.135 0.000 2.868 301 T HA 0.626 4.980 4.350 0.007 0.000 0.306 301 T C -0.951 173.789 174.700 0.066 0.000 1.224 301 T CA -0.896 61.283 62.100 0.131 0.000 1.012 301 T CB 1.275 70.184 68.868 0.068 0.000 1.221 301 T HN 0.075 nan 8.240 nan 0.000 0.499 302 I N 1.648 122.244 120.570 0.043 0.000 2.465 302 I HA 0.644 4.818 4.170 0.007 0.000 0.291 302 I C -0.574 175.493 176.117 -0.083 0.000 1.014 302 I CA -0.708 60.569 61.300 -0.037 0.000 1.093 302 I CB 2.190 40.143 38.000 -0.078 0.000 1.267 302 I HN 0.793 nan 8.210 nan 0.000 0.431 303 Q N 6.574 126.331 119.800 -0.073 0.000 2.345 303 Q HA 0.511 4.855 4.340 0.007 0.000 0.275 303 Q C -1.981 174.067 176.000 0.080 0.000 1.063 303 Q CA -0.730 55.068 55.803 -0.008 0.000 0.819 303 Q CB 2.107 30.860 28.738 0.025 0.000 1.356 303 Q HN 0.628 nan 8.270 nan 0.000 0.418 304 Y N 0.958 121.250 120.300 -0.013 0.000 2.332 304 Y HA 0.771 5.325 4.550 0.007 0.000 0.325 304 Y C -1.152 174.743 175.900 -0.009 0.000 1.054 304 Y CA -1.062 57.029 58.100 -0.015 0.000 1.119 304 Y CB 1.398 39.849 38.460 -0.016 0.000 1.168 304 Y HN 0.672 nan 8.280 nan 0.000 0.439 305 S N 1.869 117.628 115.700 0.098 0.000 2.689 305 S HA 0.500 4.974 4.470 0.007 0.000 0.306 305 S C -0.656 173.924 174.600 -0.032 0.000 1.104 305 S CA -1.033 57.165 58.200 -0.002 0.000 0.973 305 S CB 1.534 64.740 63.200 0.010 0.000 1.121 305 S HN 0.905 nan 8.310 nan 0.000 0.523 306 N N 0.085 118.755 118.700 -0.050 0.000 2.399 306 N HA 0.205 4.949 4.740 0.007 0.000 0.250 306 N C -0.239 175.258 175.510 -0.021 0.000 1.272 306 N CA -0.486 52.542 53.050 -0.036 0.000 0.928 306 N CB 0.401 38.865 38.487 -0.038 0.000 1.158 306 N HN 0.536 nan 8.380 nan 0.000 0.463 307 S N -0.003 115.687 115.700 -0.016 0.000 2.506 307 S HA -0.046 4.428 4.470 0.007 0.000 0.291 307 S C 0.999 175.590 174.600 -0.015 0.000 1.230 307 S CA -0.671 57.520 58.200 -0.015 0.000 1.107 307 S CB -0.195 62.998 63.200 -0.011 0.000 0.942 307 S HN 0.666 nan 8.310 nan 0.000 0.502 308 E N 3.403 123.592 120.200 -0.017 0.000 2.533 308 E HA -0.089 4.265 4.350 0.007 0.000 0.203 308 E C 0.108 176.699 176.600 -0.015 0.000 1.101 308 E CA 0.473 56.864 56.400 -0.016 0.000 0.894 308 E CB -0.460 29.229 29.700 -0.018 0.000 0.843 308 E HN 0.848 nan 8.360 nan 0.000 0.552 309 D N -0.548 119.843 120.400 -0.014 0.000 2.831 309 D HA 0.106 4.750 4.640 0.007 0.000 0.240 309 D C 1.031 177.327 176.300 -0.007 0.000 1.183 309 D CA -0.893 53.100 54.000 -0.011 0.000 1.079 309 D CB 0.210 41.003 40.800 -0.013 0.000 1.262 309 D HN -0.301 nan 8.370 nan 0.000 0.634 310 K N -0.313 120.084 120.400 -0.005 0.000 2.034 310 K HA -0.175 4.149 4.320 0.007 0.000 0.214 310 K C -0.199 176.401 176.600 -0.000 0.000 1.051 310 K CA 1.671 57.957 56.287 -0.002 0.000 0.931 310 K CB -0.420 32.080 32.500 0.001 0.000 0.715 310 K HN 0.552 nan 8.250 nan 0.000 0.446 311 D N -1.140 119.260 120.400 0.000 0.000 2.269 311 D HA 0.147 4.791 4.640 0.007 0.000 0.244 311 D C -0.559 175.742 176.300 0.001 0.000 0.992 311 D CA -0.493 53.509 54.000 0.003 0.000 0.894 311 D CB 0.995 41.799 40.800 0.006 0.000 1.248 311 D HN -0.012 nan 8.370 nan 0.000 0.468 312 R N 1.987 122.488 120.500 0.002 0.000 4.624 312 R HA 0.174 4.518 4.340 0.007 0.000 0.214 312 R C 0.362 176.664 176.300 0.002 0.000 2.026 312 R CA -0.115 55.985 56.100 -0.001 0.000 1.676 312 R CB -0.355 29.945 30.300 0.000 0.000 1.291 312 R HN 0.082 nan 8.270 nan 0.000 0.739 313 K N 0.872 121.273 120.400 0.003 0.000 2.380 313 K HA 0.091 4.415 4.320 0.007 0.000 0.267 313 K C 0.723 177.324 176.600 0.002 0.000 0.990 313 K CA 0.079 56.369 56.287 0.006 0.000 0.946 313 K CB 0.640 33.142 32.500 0.005 0.000 0.937 313 K HN 0.387 nan 8.250 nan 0.000 0.491 314 G N 1.980 110.785 108.800 0.008 0.000 2.360 314 G HA2 0.301 4.265 3.960 0.007 0.000 0.279 314 G HA3 0.301 4.265 3.960 0.007 0.000 0.279 314 G C -0.731 174.174 174.900 0.008 0.000 1.189 314 G CA -0.392 44.714 45.100 0.009 0.000 0.941 314 G HN 0.434 nan 8.290 nan 0.000 0.445 315 M N 3.525 123.133 119.600 0.014 0.000 2.066 315 M HA 0.546 5.030 4.480 0.007 0.000 0.340 315 M C -1.186 175.141 176.300 0.045 0.000 1.053 315 M CA -0.826 54.482 55.300 0.013 0.000 0.983 315 M CB 1.343 33.944 32.600 0.001 0.000 1.520 315 M HN 0.354 nan 8.290 nan 0.000 0.428 316 L N 4.792 126.029 121.223 0.024 0.000 2.313 316 L HA 0.536 4.880 4.340 0.007 0.000 0.283 316 L C -1.068 175.800 176.870 -0.003 0.000 1.013 316 L CA 0.146 55.003 54.840 0.029 0.000 0.816 316 L CB 1.637 43.697 42.059 0.001 0.000 1.236 316 L HN 0.580 nan 8.230 nan 0.000 0.419 317 Q N 6.563 126.364 119.800 0.001 0.000 2.607 317 Q HA 0.390 4.734 4.340 0.007 0.000 0.247 317 Q C -1.305 174.685 176.000 -0.017 0.000 1.033 317 Q CA -0.244 55.551 55.803 -0.013 0.000 0.769 317 Q CB 1.378 30.114 28.738 -0.004 0.000 1.169 317 Q HN 0.631 nan 8.270 nan 0.000 0.508 318 L N 1.425 122.633 121.223 -0.024 0.000 2.290 318 L HA 0.385 4.729 4.340 0.007 0.000 0.284 318 L C 0.494 177.356 176.870 -0.014 0.000 1.078 318 L CA -0.206 54.623 54.840 -0.019 0.000 0.815 318 L CB 0.664 42.708 42.059 -0.026 0.000 1.162 318 L HN 0.106 nan 8.230 nan 0.000 0.435 319 K N 3.222 123.623 120.400 0.002 0.000 2.183 319 K HA 0.563 4.887 4.320 0.007 0.000 0.274 319 K C -1.084 175.522 176.600 0.010 0.000 1.009 319 K CA -0.621 55.671 56.287 0.007 0.000 0.888 319 K CB 1.077 33.588 32.500 0.019 0.000 1.078 319 K HN 0.369 nan 8.250 nan 0.000 0.459 320 I N 3.408 123.980 120.570 0.003 0.000 2.433 320 I HA 0.238 4.412 4.170 0.007 0.000 0.292 320 I C -0.249 175.874 176.117 0.010 0.000 1.001 320 I CA -0.315 60.986 61.300 0.000 0.000 1.119 320 I CB 1.704 39.694 38.000 -0.018 0.000 1.289 320 I HN 0.737 nan 8.210 nan 0.000 0.438 321 A N 4.851 127.681 122.820 0.017 0.000 2.592 321 A HA 0.350 4.674 4.320 0.007 0.000 0.250 321 A C 1.432 179.025 177.584 0.016 0.000 1.017 321 A CA 1.272 53.322 52.037 0.021 0.000 0.794 321 A CB -1.059 17.955 19.000 0.024 0.000 0.917 321 A HN 1.453 nan 8.150 nan 0.000 0.515 322 G N 2.193 111.004 108.800 0.017 0.000 4.890 322 G HA2 0.109 4.074 3.960 0.007 0.000 0.221 322 G HA3 0.109 4.074 3.960 0.007 0.000 0.221 322 G C 0.950 175.859 174.900 0.015 0.000 1.472 322 G CA 0.628 45.737 45.100 0.016 0.000 0.962 322 G HN 2.486 nan 8.290 nan 0.000 0.671 323 A N 2.672 125.501 122.820 0.014 0.000 2.553 323 A HA 0.505 4.829 4.320 0.007 0.000 0.258 323 A C -0.072 177.520 177.584 0.014 0.000 1.069 323 A CA 0.702 52.749 52.037 0.016 0.000 0.767 323 A CB 0.156 19.164 19.000 0.013 0.000 0.997 323 A HN 0.493 nan 8.150 nan 0.000 0.512 324 P HA -0.005 nan 4.420 nan 0.000 0.233 324 P C -0.123 177.183 177.300 0.010 0.000 1.167 324 P CA 0.627 63.736 63.100 0.014 0.000 0.770 324 P CB 0.175 31.885 31.700 0.018 0.000 0.837 325 E N 2.674 122.882 120.200 0.013 0.000 2.217 325 E HA 0.182 4.536 4.350 0.007 0.000 0.279 325 E C -2.073 174.518 176.600 -0.016 0.000 1.068 325 E CA -2.005 54.395 56.400 0.000 0.000 0.882 325 E CB -0.224 29.488 29.700 0.021 0.000 1.039 325 E HN 0.283 nan 8.360 nan 0.000 0.418 326 P HA 0.013 nan 4.420 nan 0.000 0.275 326 P C -0.594 176.675 177.300 -0.052 0.000 1.276 326 P CA -0.629 62.451 63.100 -0.034 0.000 0.782 326 P CB 0.428 32.108 31.700 -0.033 0.000 0.851 327 L N 4.879 126.075 121.223 -0.044 0.000 2.638 327 L HA 0.106 4.450 4.340 0.007 0.000 0.273 327 L C -0.209 176.623 176.870 -0.064 0.000 1.147 327 L CA 0.943 55.750 54.840 -0.055 0.000 0.941 327 L CB -0.828 41.203 42.059 -0.046 0.000 1.251 327 L HN 0.267 nan 8.230 nan 0.000 0.479 328 T N 4.893 119.394 114.554 -0.088 0.000 2.856 328 T HA 0.593 4.948 4.350 0.007 0.000 0.292 328 T C -0.186 174.470 174.700 -0.073 0.000 0.980 328 T CA -0.507 61.541 62.100 -0.085 0.000 1.091 328 T CB 1.275 70.071 68.868 -0.120 0.000 0.936 328 T HN 0.424 nan 8.240 nan 0.000 0.503 329 V N 2.735 122.617 119.914 -0.054 0.000 2.656 329 V HA 0.520 4.644 4.120 0.007 0.000 0.307 329 V C -0.002 176.071 176.094 -0.034 0.000 1.051 329 V CA -1.034 61.239 62.300 -0.045 0.000 0.893 329 V CB 2.145 33.942 31.823 -0.043 0.000 0.999 329 V HN 0.997 nan 8.190 nan 0.000 0.426 330 T N 3.306 117.844 114.554 -0.026 0.000 2.756 330 T HA 0.732 5.086 4.350 0.007 0.000 0.290 330 T C 0.085 174.786 174.700 0.001 0.000 0.985 330 T CA -0.251 61.840 62.100 -0.014 0.000 0.955 330 T CB 1.435 70.294 68.868 -0.015 0.000 0.930 330 T HN 0.996 nan 8.240 nan 0.000 0.451 331 A N 4.481 127.303 122.820 0.004 0.000 2.295 331 A HA 0.706 5.030 4.320 0.007 0.000 0.318 331 A C -1.741 175.861 177.584 0.030 0.000 1.134 331 A CA -2.036 50.012 52.037 0.018 0.000 0.827 331 A CB 0.605 19.609 19.000 0.007 0.000 1.136 331 A HN 0.474 nan 8.150 nan 0.000 0.493 332 P HA -0.027 nan 4.420 nan 0.000 0.228 332 P C 0.069 177.394 177.300 0.042 0.000 1.151 332 P CA 1.614 64.742 63.100 0.046 0.000 0.770 332 P CB 0.097 31.834 31.700 0.061 0.000 0.786 333 S N -3.064 112.662 115.700 0.042 0.000 2.567 333 S HA 0.257 4.731 4.470 0.007 0.000 0.270 333 S C 0.402 175.022 174.600 0.034 0.000 1.152 333 S CA -0.868 57.356 58.200 0.039 0.000 0.835 333 S CB 0.665 63.896 63.200 0.051 0.000 1.115 333 S HN -0.052 nan 8.310 nan 0.000 0.459 334 L N 1.715 122.952 121.223 0.023 0.000 2.013 334 L HA 0.000 4.344 4.340 0.007 0.000 0.212 334 L C 2.345 179.236 176.870 0.035 0.000 1.073 334 L CA 2.777 57.620 54.840 0.004 0.000 0.753 334 L CB -1.238 40.804 42.059 -0.029 0.000 0.890 334 L HN 0.947 nan 8.230 nan 0.000 0.432 335 T N 0.300 114.892 114.554 0.063 0.000 2.653 335 T HA -0.242 4.112 4.350 0.007 0.000 0.268 335 T C 1.851 176.598 174.700 0.078 0.000 1.035 335 T CA 2.327 64.474 62.100 0.077 0.000 1.154 335 T CB -0.351 68.535 68.868 0.031 0.000 0.862 335 T HN 0.406 nan 8.240 nan 0.000 0.441 336 I N 0.781 121.393 120.570 0.070 0.000 2.315 336 I HA -0.114 4.060 4.170 0.007 0.000 0.248 336 I C 2.920 179.050 176.117 0.022 0.000 1.117 336 I CA 1.056 62.402 61.300 0.077 0.000 1.404 336 I CB -0.804 37.251 38.000 0.091 0.000 1.071 336 I HN 0.215 nan 8.210 nan 0.000 0.419 337 A N 0.933 123.776 122.820 0.037 0.000 1.865 337 A HA -0.243 4.082 4.320 0.007 0.000 0.217 337 A C 2.249 179.935 177.584 0.170 0.000 1.191 337 A CA 1.748 53.821 52.037 0.059 0.000 0.623 337 A CB -0.718 18.330 19.000 0.080 0.000 0.826 337 A HN 0.408 nan 8.150 nan 0.000 0.444 338 E N -0.287 120.058 120.200 0.243 0.000 2.065 338 E HA -0.255 4.099 4.350 0.007 0.000 0.201 338 E C 1.942 178.699 176.600 0.262 0.000 1.016 338 E CA 1.498 58.132 56.400 0.390 0.000 0.818 338 E CB -0.272 29.613 29.700 0.308 0.000 0.749 338 E HN 0.580 nan 8.360 nan 0.000 0.453 339 N N 0.360 119.187 118.700 0.212 0.000 2.069 339 N HA -0.159 4.586 4.740 0.007 0.000 0.191 339 N C 1.876 177.392 175.510 0.010 0.000 1.031 339 N CA 1.324 54.505 53.050 0.217 0.000 0.852 339 N CB -0.316 38.369 38.487 0.331 0.000 1.018 339 N HN 0.203 nan 8.380 nan 0.000 0.423 340 M N 0.450 119.954 119.600 -0.159 0.000 2.159 340 M HA -0.074 4.410 4.480 0.007 0.000 0.263 340 M C 2.218 178.435 176.300 -0.139 0.000 1.063 340 M CA 1.379 56.483 55.300 -0.327 0.000 1.110 340 M CB -0.264 32.016 32.600 -0.532 0.000 1.374 340 M HN 0.150 nan 8.290 nan 0.000 0.411 341 A N 0.593 123.360 122.820 -0.089 0.000 1.865 341 A HA -0.262 4.062 4.320 0.007 0.000 0.217 341 A C 1.716 179.220 177.584 -0.134 0.000 1.191 341 A CA 2.407 54.358 52.037 -0.142 0.000 0.623 341 A CB -1.103 17.730 19.000 -0.279 0.000 0.826 341 A HN 0.527 nan 8.150 nan 0.000 0.444 342 D N -0.730 119.623 120.400 -0.078 0.000 2.127 342 D HA -0.219 4.425 4.640 0.007 0.000 0.190 342 D C 1.767 178.051 176.300 -0.027 0.000 1.000 342 D CA 1.808 55.786 54.000 -0.037 0.000 0.839 342 D CB -0.266 40.578 40.800 0.073 0.000 0.955 342 D HN 0.202 nan 8.370 nan 0.000 0.446 343 L N 0.581 121.789 121.223 -0.025 0.000 1.951 343 L HA -0.211 4.133 4.340 0.007 0.000 0.222 343 L C 2.386 179.302 176.870 0.077 0.000 1.078 343 L CA 1.931 56.806 54.840 0.058 0.000 0.778 343 L CB -1.128 40.979 42.059 0.080 0.000 0.893 343 L HN 0.349 nan 8.230 nan 0.000 0.436 344 I N -0.391 120.221 120.570 0.069 0.000 2.113 344 I HA -0.360 3.814 4.170 0.007 0.000 0.242 344 I C 2.328 178.400 176.117 -0.076 0.000 1.064 344 I CA 1.923 63.262 61.300 0.064 0.000 1.320 344 I CB -0.731 37.306 38.000 0.062 0.000 1.028 344 I HN 0.433 nan 8.210 nan 0.000 0.406 345 D N 0.987 121.322 120.400 -0.107 0.000 2.116 345 D HA -0.176 4.468 4.640 0.007 0.000 0.193 345 D C 2.247 178.409 176.300 -0.230 0.000 0.998 345 D CA 1.839 55.765 54.000 -0.124 0.000 0.836 345 D CB -0.417 40.323 40.800 -0.100 0.000 0.951 345 D HN 0.315 nan 8.370 nan 0.000 0.449 346 G N -1.241 107.313 108.800 -0.409 0.000 2.476 346 G HA2 -0.320 3.644 3.960 0.007 0.000 0.218 346 G HA3 -0.320 3.644 3.960 0.007 0.000 0.218 346 G C 1.573 176.024 174.900 -0.748 0.000 1.164 346 G CA 1.062 45.556 45.100 -1.009 0.000 0.768 346 G HN 0.406 nan 8.290 nan 0.000 0.560 347 Y N 0.202 120.199 120.300 -0.504 0.000 2.242 347 Y HA -0.157 4.397 4.550 0.007 0.000 0.291 347 Y C 3.186 178.801 175.900 -0.476 0.000 1.137 347 Y CA 0.955 58.695 58.100 -0.601 0.000 1.181 347 Y CB -0.134 37.582 38.460 -1.240 0.000 0.989 347 Y HN 0.259 nan 8.280 nan 0.000 0.527 348 C N -0.082 119.041 119.300 -0.295 0.000 2.446 348 C HA -0.143 4.321 4.460 0.007 0.000 0.277 348 C C 2.674 177.505 174.990 -0.264 0.000 1.275 348 C CA 0.887 59.647 59.018 -0.429 0.000 1.727 348 C CB -1.063 26.075 27.740 -1.003 0.000 2.010 348 C HN 0.478 nan 8.230 nan 0.000 0.486 349 R N 0.911 121.328 120.500 -0.138 0.000 2.293 349 R HA -0.072 4.272 4.340 0.007 0.000 0.219 349 R C 1.590 177.864 176.300 -0.044 0.000 1.091 349 R CA 1.260 57.374 56.100 0.022 0.000 1.004 349 R CB -0.383 29.915 30.300 -0.004 0.000 0.865 349 R HN 0.544 nan 8.270 nan 0.000 0.469 350 L N -0.530 120.630 121.223 -0.105 0.000 2.379 350 L HA 0.065 4.409 4.340 0.007 0.000 0.190 350 L C 2.227 179.094 176.870 -0.006 0.000 1.111 350 L CA 0.415 55.215 54.840 -0.067 0.000 0.820 350 L CB -0.283 41.707 42.059 -0.115 0.000 1.046 350 L HN -0.160 nan 8.230 nan 0.000 0.485 351 V N 0.945 120.861 119.914 0.004 0.000 2.546 351 V HA -0.234 3.890 4.120 0.007 0.000 0.254 351 V C 0.479 176.597 176.094 0.039 0.000 1.076 351 V CA 1.285 63.611 62.300 0.043 0.000 1.087 351 V CB -0.780 31.093 31.823 0.083 0.000 0.674 351 V HN 0.468 nan 8.190 nan 0.000 0.470 352 N N -0.210 118.509 118.700 0.032 0.000 2.361 352 N HA 0.268 5.012 4.740 0.007 0.000 0.302 352 N C 0.872 176.423 175.510 0.069 0.000 1.074 352 N CA 0.382 53.472 53.050 0.067 0.000 0.850 352 N CB 1.718 40.276 38.487 0.120 0.000 1.228 352 N HN 0.158 nan 8.380 nan 0.000 0.491 353 G N 0.421 109.258 108.800 0.061 0.000 2.780 353 G HA2 -0.017 3.947 3.960 0.007 0.000 0.205 353 G HA3 -0.017 3.947 3.960 0.007 0.000 0.205 353 G C 0.681 175.612 174.900 0.052 0.000 1.158 353 G CA 0.067 45.196 45.100 0.048 0.000 0.812 353 G HN 0.712 nan 8.290 nan 0.000 0.521 354 A N -0.272 122.598 122.820 0.084 0.000 2.466 354 A HA 0.475 4.799 4.320 0.007 0.000 0.238 354 A C 1.671 179.287 177.584 0.054 0.000 1.074 354 A CA 0.842 52.931 52.037 0.087 0.000 0.774 354 A CB 0.407 19.518 19.000 0.185 0.000 1.015 354 A HN 0.538 nan 8.150 nan 0.000 0.498 355 T N -1.987 112.583 114.554 0.026 0.000 2.990 355 T HA 0.276 4.630 4.350 0.007 0.000 0.250 355 T C 0.333 175.031 174.700 -0.003 0.000 1.041 355 T CA 0.634 62.737 62.100 0.006 0.000 1.010 355 T CB -0.015 68.850 68.868 -0.004 0.000 1.003 355 T HN 0.782 nan 8.240 nan 0.000 0.499 356 Q N 0.880 120.677 119.800 -0.005 0.000 2.433 356 Q HA 0.735 5.079 4.340 0.007 0.000 0.279 356 Q C -0.368 175.624 176.000 -0.014 0.000 1.105 356 Q CA -1.093 54.699 55.803 -0.019 0.000 0.815 356 Q CB 1.082 29.793 28.738 -0.045 0.000 1.403 356 Q HN 0.007 nan 8.270 nan 0.000 0.435 357 S N 0.103 115.830 115.700 0.044 0.000 2.550 357 S HA 0.091 4.565 4.470 0.007 0.000 0.285 357 S C -0.386 174.192 174.600 -0.037 0.000 1.326 357 S CA 0.023 58.297 58.200 0.122 0.000 1.037 357 S CB -0.051 63.274 63.200 0.207 0.000 0.838 357 S HN 0.512 nan 8.310 nan 0.000 0.519 358 F N 1.998 121.934 119.950 -0.023 0.000 2.639 358 F HA 0.442 4.973 4.527 0.007 0.000 0.302 358 F C 0.212 175.968 175.800 -0.074 0.000 1.097 358 F CA -0.134 57.842 58.000 -0.040 0.000 1.294 358 F CB 0.271 39.248 39.000 -0.039 0.000 1.027 358 F HN 0.331 nan 8.300 nan 0.000 0.550 359 I N 1.730 122.312 120.570 0.020 0.000 2.359 359 I HA 0.259 4.433 4.170 0.007 0.000 0.294 359 I C 0.120 176.210 176.117 -0.045 0.000 0.987 359 I CA -1.388 59.861 61.300 -0.085 0.000 1.225 359 I CB 1.240 39.091 38.000 -0.248 0.000 1.366 359 I HN -0.092 nan 8.210 nan 0.000 0.466 360 I N 3.681 124.233 120.570 -0.030 0.000 2.892 360 I HA 0.194 4.368 4.170 0.007 0.000 0.287 360 I C -0.124 176.013 176.117 0.033 0.000 1.205 360 I CA 0.198 61.501 61.300 0.004 0.000 1.409 360 I CB 0.155 38.165 38.000 0.018 0.000 1.367 360 I HN 0.501 nan 8.210 nan 0.000 0.597 361 R N 4.882 125.403 120.500 0.034 0.000 2.287 361 R HA 0.493 4.837 4.340 0.007 0.000 0.316 361 R C -1.875 174.453 176.300 0.047 0.000 1.050 361 R CA -1.513 54.617 56.100 0.051 0.000 0.983 361 R CB -0.153 30.170 30.300 0.039 0.000 1.140 361 R HN 0.647 nan 8.270 nan 0.000 0.528 395 D N 1.872 122.295 120.400 0.039 0.000 3.131 395 D HA -0.093 4.551 4.640 0.007 0.000 0.209 395 D C 0.102 176.447 176.300 0.076 0.000 1.028 395 D CA 0.948 54.976 54.000 0.047 0.000 0.957 395 D CB -0.664 40.148 40.800 0.021 0.000 1.059 395 D HN 0.838 nan 8.370 nan 0.000 0.448 396 D N -0.105 120.345 120.400 0.083 0.000 2.491 396 D HA -0.027 4.617 4.640 0.007 0.000 0.228 396 D C 0.685 177.053 176.300 0.113 0.000 1.183 396 D CA -0.549 53.504 54.000 0.087 0.000 0.827 396 D CB -0.656 40.173 40.800 0.048 0.000 0.989 396 D HN 0.314 nan 8.370 nan 0.000 0.494 397 Y N 2.355 122.659 120.300 0.007 0.000 2.944 397 Y HA 0.088 4.642 4.550 0.007 0.000 0.340 397 Y C -0.035 175.879 175.900 0.023 0.000 1.275 397 Y CA 0.311 58.413 58.100 0.004 0.000 1.590 397 Y CB 0.397 38.852 38.460 -0.009 0.000 1.218 397 Y HN 0.238 nan 8.280 nan 0.000 0.576 398 A N 6.510 129.149 122.820 -0.300 0.000 3.307 398 A HA 0.226 4.551 4.320 0.007 0.000 0.289 398 A C -0.607 176.781 177.584 -0.326 0.000 1.138 398 A CA -0.642 51.282 52.037 -0.189 0.000 0.860 398 A CB -0.072 18.891 19.000 -0.062 0.000 1.318 398 A HN 0.776 nan 8.150 nan 0.000 0.551 399 E N 1.593 121.473 120.200 -0.533 0.000 2.289 399 E HA 0.415 4.769 4.350 0.007 0.000 0.278 399 E C -0.283 176.221 176.600 -0.161 0.000 1.032 399 E CA -0.632 55.543 56.400 -0.375 0.000 0.854 399 E CB 0.463 29.908 29.700 -0.426 0.000 1.046 399 E HN 0.623 nan 8.360 nan 0.000 0.409 400 I N 4.732 125.223 120.570 -0.130 0.000 2.379 400 I HA 0.237 4.411 4.170 0.007 0.000 0.290 400 I C 0.249 176.329 176.117 -0.060 0.000 1.063 400 I CA -0.077 61.174 61.300 -0.082 0.000 1.351 400 I CB -0.018 37.926 38.000 -0.093 0.000 1.410 400 I HN 0.400 nan 8.210 nan 0.000 0.505 401 I N 2.447 122.996 120.570 -0.034 0.000 4.030 401 I HA 0.837 5.011 4.170 0.007 0.000 0.248 401 I C -0.432 175.671 176.117 -0.024 0.000 1.284 401 I CA -0.632 60.654 61.300 -0.023 0.000 1.223 401 I CB 1.413 39.410 38.000 -0.004 0.000 1.446 401 I HN 0.630 nan 8.210 nan 0.000 0.519 402 D N -0.898 119.486 120.400 -0.026 0.000 4.269 402 D HA 0.249 4.893 4.640 0.007 0.000 0.211 402 D C -0.980 175.294 176.300 -0.044 0.000 1.635 402 D CA -0.564 53.417 54.000 -0.032 0.000 1.197 402 D CB -0.292 40.489 40.800 -0.031 0.000 1.592 402 D HN 0.598 nan 8.370 nan 0.000 0.558 403 E N -0.094 120.073 120.200 -0.056 0.000 2.383 403 E HA 0.327 4.681 4.350 0.007 0.000 0.264 403 E C -0.501 176.048 176.600 -0.084 0.000 1.050 403 E CA -0.010 56.347 56.400 -0.071 0.000 0.896 403 E CB 0.936 30.588 29.700 -0.082 0.000 0.982 403 E HN 0.284 nan 8.360 nan 0.000 0.424 404 E N 2.121 122.266 120.200 -0.093 0.000 3.167 404 E HA 0.112 4.466 4.350 0.007 0.000 0.212 404 E C -1.087 175.424 176.600 -0.149 0.000 1.143 404 E CA -0.297 56.031 56.400 -0.120 0.000 1.002 404 E CB 0.549 30.198 29.700 -0.085 0.000 1.315 404 E HN 0.365 nan 8.360 nan 0.000 0.422 405 D N 1.114 121.407 120.400 -0.179 0.000 2.329 405 D HA 0.017 4.661 4.640 0.007 0.000 0.246 405 D C 0.347 176.501 176.300 -0.244 0.000 1.111 405 D CA 0.042 53.942 54.000 -0.168 0.000 0.941 405 D CB 1.434 42.156 40.800 -0.132 0.000 1.169 405 D HN 0.121 nan 8.370 nan 0.000 0.441 406 T N 1.381 115.850 114.554 -0.142 0.000 2.872 406 T HA -0.135 4.219 4.350 0.007 0.000 0.292 406 T C 0.021 174.654 174.700 -0.112 0.000 1.036 406 T CA 0.414 62.463 62.100 -0.084 0.000 1.136 406 T CB -0.370 68.491 68.868 -0.010 0.000 1.052 406 T HN 0.085 nan 8.240 nan 0.000 0.512 407 Y N 2.630 122.923 120.300 -0.011 0.000 2.385 407 Y HA 0.198 4.752 4.550 0.007 0.000 0.346 407 Y C 1.728 177.623 175.900 -0.008 0.000 1.270 407 Y CA 0.157 58.250 58.100 -0.011 0.000 1.472 407 Y CB 0.195 38.648 38.460 -0.011 0.000 1.354 407 Y HN 0.666 nan 8.280 nan 0.000 0.611 408 T N 4.048 118.707 114.554 0.175 0.000 2.908 408 T HA 0.019 4.373 4.350 0.007 0.000 0.301 408 T C 0.417 175.173 174.700 0.093 0.000 1.019 408 T CA -0.865 61.296 62.100 0.101 0.000 1.152 408 T CB -0.209 68.710 68.868 0.085 0.000 0.966 408 T HN 0.383 nan 8.240 nan 0.000 0.540 409 M N 6.067 125.706 119.600 0.064 0.000 2.233 409 M HA 0.129 4.613 4.480 0.007 0.000 0.307 409 M C -1.814 174.514 176.300 0.047 0.000 1.026 409 M CA -1.476 53.853 55.300 0.048 0.000 1.109 409 M CB -0.353 32.265 32.600 0.029 0.000 1.463 409 M HN 0.541 nan 8.290 nan 0.000 0.436 410 P HA 0.278 nan 4.420 nan 0.000 0.287 410 P C -0.870 176.462 177.300 0.053 0.000 1.294 410 P CA -0.024 63.093 63.100 0.028 0.000 0.776 410 P CB 0.853 32.558 31.700 0.009 0.000 0.889 411 S N 0.911 116.667 115.700 0.093 0.000 2.686 411 S HA 0.032 4.506 4.470 0.007 0.000 0.272 411 S C 0.889 175.475 174.600 -0.023 0.000 0.937 411 S CA 0.018 58.252 58.200 0.057 0.000 1.009 411 S CB -0.920 62.281 63.200 0.002 0.000 1.276 411 S HN 0.478 nan 8.310 nan 0.000 0.459 412 T N -0.433 113.997 114.554 -0.207 0.000 2.904 412 T HA 0.022 4.376 4.350 0.007 0.000 0.267 412 T C 1.705 176.143 174.700 -0.437 0.000 1.059 412 T CA 1.228 62.968 62.100 -0.601 0.000 1.137 412 T CB -0.636 67.907 68.868 -0.543 0.000 0.879 412 T HN 0.712 nan 8.240 nan 0.000 0.467 413 R N 1.092 121.470 120.500 -0.204 0.000 2.293 413 R HA -0.194 4.150 4.340 0.007 0.000 0.270 413 R C 1.579 177.825 176.300 -0.090 0.000 1.192 413 R CA 2.095 58.121 56.100 -0.122 0.000 1.017 413 R CB -0.363 29.897 30.300 -0.067 0.000 0.887 413 R HN 0.542 nan 8.270 nan 0.000 0.480 414 D N -1.441 118.920 120.400 -0.066 0.000 2.277 414 D HA -0.055 4.589 4.640 0.007 0.000 0.209 414 D C 0.687 177.052 176.300 0.108 0.000 0.970 414 D CA 0.880 54.907 54.000 0.046 0.000 0.874 414 D CB 0.161 41.037 40.800 0.126 0.000 0.982 414 D HN 0.496 nan 8.370 nan 0.000 0.504 415 Y N -0.566 119.729 120.300 -0.010 0.000 2.734 415 Y HA 0.472 5.026 4.550 0.007 0.000 0.278 415 Y C -0.094 175.796 175.900 -0.017 0.000 1.108 415 Y CA -0.833 57.259 58.100 -0.013 0.000 1.211 415 Y CB -0.082 38.365 38.460 -0.022 0.000 1.182 415 Y HN -0.388 nan 8.280 nan 0.000 0.547 416 E N 2.307 122.409 120.200 -0.165 0.000 2.289 416 E HA 0.346 4.700 4.350 0.007 0.000 0.278 416 E C -0.488 176.086 176.600 -0.044 0.000 1.032 416 E CA -0.118 56.198 56.400 -0.140 0.000 0.854 416 E CB 2.011 31.626 29.700 -0.142 0.000 1.046 416 E HN 0.538 nan 8.360 nan 0.000 0.409 417 I N 2.931 123.476 120.570 -0.042 0.000 2.433 417 I HA 0.121 4.295 4.170 0.007 0.000 0.292 417 I C -0.143 175.971 176.117 -0.005 0.000 1.001 417 I CA -0.965 60.327 61.300 -0.013 0.000 1.119 417 I CB 1.702 39.647 38.000 -0.092 0.000 1.289 417 I HN 0.202 nan 8.210 nan 0.000 0.438 418 Q N 4.338 124.158 119.800 0.034 0.000 2.314 418 Q HA 0.246 4.590 4.340 0.007 0.000 0.258 418 Q C 0.973 176.986 176.000 0.021 0.000 0.954 418 Q CA -0.256 55.552 55.803 0.008 0.000 0.890 418 Q CB 1.123 29.871 28.738 0.017 0.000 1.210 418 Q HN 0.399 nan 8.270 nan 0.000 0.410 419 R N 1.816 122.285 120.500 -0.052 0.000 2.159 419 R HA -0.206 4.138 4.340 0.007 0.000 0.237 419 R C 0.451 176.763 176.300 0.020 0.000 1.131 419 R CA 1.501 57.553 56.100 -0.079 0.000 0.982 419 R CB 0.318 30.460 30.300 -0.263 0.000 0.868 419 R HN 0.710 nan 8.270 nan 0.000 0.453 420 E N -0.517 119.696 120.200 0.022 0.000 2.478 420 E HA -0.093 4.261 4.350 0.007 0.000 0.198 420 E C 1.142 177.794 176.600 0.086 0.000 1.046 420 E CA 0.633 57.061 56.400 0.046 0.000 0.870 420 E CB 0.102 29.816 29.700 0.023 0.000 0.818 420 E HN 0.230 nan 8.360 nan 0.000 0.527 421 R N 0.455 121.035 120.500 0.133 0.000 2.393 421 R HA 0.209 4.553 4.340 0.007 0.000 0.244 421 R C -0.258 176.220 176.300 0.296 0.000 0.920 421 R CA 0.007 56.223 56.100 0.194 0.000 1.076 421 R CB 0.593 31.044 30.300 0.251 0.000 1.119 421 R HN 0.108 nan 8.270 nan 0.000 0.524 422 I N 1.116 121.839 120.570 0.256 0.000 2.418 422 I HA 0.257 4.431 4.170 0.007 0.000 0.287 422 I C -0.283 175.965 176.117 0.218 0.000 1.008 422 I CA -0.661 60.808 61.300 0.281 0.000 1.104 422 I CB 1.792 40.006 38.000 0.357 0.000 1.264 422 I HN -0.075 nan 8.210 nan 0.000 0.438 423 E N 4.683 124.978 120.200 0.158 0.000 2.130 423 E HA 0.254 4.608 4.350 0.007 0.000 0.284 423 E C -0.695 175.947 176.600 0.070 0.000 1.018 423 E CA -0.724 55.740 56.400 0.107 0.000 0.817 423 E CB 1.806 31.550 29.700 0.074 0.000 1.078 423 E HN 0.331 nan 8.360 nan 0.000 0.396 424 L N 4.785 126.033 121.223 0.040 0.000 2.312 424 L HA 0.336 4.680 4.340 0.007 0.000 0.287 424 L C 0.413 177.236 176.870 -0.078 0.000 1.091 424 L CA 0.180 54.960 54.840 -0.100 0.000 0.846 424 L CB 0.273 42.191 42.059 -0.234 0.000 1.219 424 L HN 0.551 nan 8.230 nan 0.000 0.439 425 G N 4.530 113.306 108.800 -0.041 0.000 2.546 425 G HA2 0.160 4.124 3.960 0.007 0.000 0.239 425 G HA3 0.160 4.124 3.960 0.007 0.000 0.239 425 G C -0.316 174.599 174.900 0.025 0.000 1.476 425 G CA -0.705 44.394 45.100 -0.002 0.000 1.064 425 G HN 0.725 nan 8.290 nan 0.000 0.561 426 R N -1.234 119.302 120.500 0.059 0.000 2.784 426 R HA 0.096 4.440 4.340 0.007 0.000 0.266 426 R C -0.166 176.226 176.300 0.154 0.000 1.044 426 R CA -0.302 55.855 56.100 0.094 0.000 1.151 426 R CB 0.134 30.466 30.300 0.052 0.000 1.037 426 R HN 0.424 nan 8.270 nan 0.000 0.478 427 C N 5.857 125.237 119.300 0.132 0.000 2.527 427 C HA 0.309 4.773 4.460 0.007 0.000 0.396 427 C C 1.729 176.670 174.990 -0.083 0.000 1.289 427 C CA -0.453 58.517 59.018 -0.080 0.000 2.047 427 C CB -1.091 26.563 27.740 -0.144 0.000 2.568 427 C HN 0.868 nan 8.230 nan 0.000 0.573 428 I N 3.384 123.879 120.570 -0.126 0.000 4.592 428 I HA 0.487 4.662 4.170 0.007 0.000 0.329 428 I C 0.573 176.645 176.117 -0.076 0.000 1.309 428 I CA 0.190 61.449 61.300 -0.069 0.000 1.243 428 I CB 0.119 38.097 38.000 -0.036 0.000 1.241 428 I HN 0.693 nan 8.210 nan 0.000 0.434 429 G N 1.198 109.928 108.800 -0.116 0.000 2.690 429 G HA2 0.550 4.514 3.960 0.007 0.000 0.293 429 G HA3 0.550 4.514 3.960 0.007 0.000 0.293 429 G C -1.754 173.084 174.900 -0.102 0.000 1.399 429 G CA -0.365 44.683 45.100 -0.087 0.000 0.890 429 G HN 0.180 nan 8.290 nan 0.000 0.485 430 E N 0.320 120.480 120.200 -0.067 0.000 2.207 430 E HA 0.459 4.813 4.350 0.007 0.000 0.250 430 E C 0.479 177.059 176.600 -0.035 0.000 0.890 430 E CA -0.612 55.755 56.400 -0.055 0.000 0.749 430 E CB 1.692 31.364 29.700 -0.047 0.000 1.193 430 E HN 0.623 nan 8.360 nan 0.000 0.423 431 G N 1.460 110.252 108.800 -0.013 0.000 2.588 431 G HA2 -0.018 3.946 3.960 0.007 0.000 0.281 431 G HA3 -0.018 3.946 3.960 0.007 0.000 0.281 431 G C 0.584 175.479 174.900 -0.009 0.000 1.236 431 G CA -0.092 45.013 45.100 0.008 0.000 0.969 431 G HN 0.464 nan 8.290 nan 0.000 0.504 432 Q N -0.927 118.847 119.800 -0.044 0.000 2.061 432 Q HA 0.074 4.419 4.340 0.007 0.000 0.195 432 Q C 2.043 177.937 176.000 -0.176 0.000 0.967 432 Q CA 1.152 56.848 55.803 -0.179 0.000 0.829 432 Q CB 0.048 28.580 28.738 -0.343 0.000 0.900 432 Q HN 0.635 nan 8.270 nan 0.000 0.450 433 F N -0.402 119.613 119.950 0.110 0.000 2.664 433 F HA 0.228 4.759 4.527 0.007 0.000 0.296 433 F C 0.952 176.868 175.800 0.194 0.000 1.125 433 F CA 0.161 58.259 58.000 0.163 0.000 1.444 433 F CB 1.110 40.261 39.000 0.251 0.000 1.114 433 F HN 0.028 nan 8.300 nan 0.000 0.576 434 G N -0.574 108.427 108.800 0.336 0.000 2.442 434 G HA2 0.168 4.132 3.960 0.007 0.000 0.296 434 G HA3 0.168 4.132 3.960 0.007 0.000 0.296 434 G C -2.017 172.986 174.900 0.171 0.000 1.564 434 G CA -0.996 44.263 45.100 0.265 0.000 0.828 434 G HN -0.263 nan 8.290 nan 0.000 0.571 435 D N -0.480 119.974 120.400 0.090 0.000 2.357 435 D HA 0.394 5.038 4.640 0.007 0.000 0.242 435 D C 0.278 176.530 176.300 -0.080 0.000 1.153 435 D CA 0.172 54.140 54.000 -0.053 0.000 0.918 435 D CB 1.953 42.642 40.800 -0.186 0.000 1.181 435 D HN 0.191 nan 8.370 nan 0.000 0.435 436 V N 1.928 121.730 119.914 -0.186 0.000 2.384 436 V HA 0.247 4.371 4.120 0.007 0.000 0.287 436 V C -0.310 175.608 176.094 -0.293 0.000 1.020 436 V CA -0.581 61.632 62.300 -0.145 0.000 0.850 436 V CB 0.994 32.773 31.823 -0.073 0.000 0.987 436 V HN 0.464 nan 8.190 nan 0.000 0.436 437 H N 1.933 120.939 119.070 -0.107 0.000 2.676 437 H HA 0.630 5.191 4.556 0.007 0.000 0.352 437 H C -0.084 175.190 175.328 -0.090 0.000 1.193 437 H CA -0.588 55.393 56.048 -0.111 0.000 1.243 437 H CB 1.326 30.980 29.762 -0.180 0.000 1.751 437 H HN 0.697 nan 8.280 nan 0.000 0.567 438 Q N 0.853 120.698 119.800 0.076 0.000 2.226 438 Q HA 0.657 5.002 4.340 0.007 0.000 0.256 438 Q C -0.774 175.243 176.000 0.028 0.000 0.962 438 Q CA -0.928 54.897 55.803 0.037 0.000 0.887 438 Q CB 1.797 30.553 28.738 0.031 0.000 1.282 438 Q HN 0.859 nan 8.270 nan 0.000 0.449 439 G N 1.608 110.425 108.800 0.029 0.000 2.606 439 G HA2 0.444 4.408 3.960 0.007 0.000 0.300 439 G HA3 0.444 4.408 3.960 0.007 0.000 0.300 439 G C -1.445 173.496 174.900 0.068 0.000 1.360 439 G CA -0.728 44.391 45.100 0.032 0.000 0.783 439 G HN 0.534 nan 8.290 nan 0.000 0.484 440 I N 0.325 120.947 120.570 0.086 0.000 2.441 440 I HA 0.433 4.607 4.170 0.007 0.000 0.295 440 I C -1.191 175.041 176.117 0.191 0.000 0.994 440 I CA -0.994 60.371 61.300 0.109 0.000 1.144 440 I CB 1.472 39.514 38.000 0.071 0.000 1.314 440 I HN 0.527 nan 8.210 nan 0.000 0.445 441 Y N 6.465 126.793 120.300 0.047 0.000 2.341 441 Y HA 0.609 5.163 4.550 0.007 0.000 0.338 441 Y C -1.048 174.879 175.900 0.045 0.000 0.965 441 Y CA -1.707 56.427 58.100 0.056 0.000 1.108 441 Y CB 1.910 40.408 38.460 0.063 0.000 1.180 441 Y HN 0.540 nan 8.280 nan 0.000 0.458 442 M N 6.204 125.617 119.600 -0.310 0.000 2.268 442 M HA 0.267 4.751 4.480 0.007 0.000 0.340 442 M C -0.262 175.716 176.300 -0.538 0.000 1.099 442 M CA -0.437 54.638 55.300 -0.376 0.000 1.053 442 M CB 0.879 33.408 32.600 -0.118 0.000 1.284 442 M HN 0.662 nan 8.290 nan 0.000 0.410 443 S N 1.542 116.737 115.700 -0.841 0.000 2.455 443 S HA 0.325 4.800 4.470 0.007 0.000 0.278 443 S C -1.865 172.613 174.600 -0.204 0.000 1.216 443 S CA -1.126 56.817 58.200 -0.429 0.000 1.055 443 S CB 0.364 63.366 63.200 -0.331 0.000 0.939 443 S HN 0.396 nan 8.310 nan 0.000 0.494 444 P HA -0.036 nan 4.420 nan 0.000 0.219 444 P C 0.030 177.299 177.300 -0.051 0.000 1.150 444 P CA 0.873 63.933 63.100 -0.066 0.000 0.814 444 P CB -0.045 31.634 31.700 -0.034 0.000 0.787 445 E N 1.190 121.366 120.200 -0.040 0.000 1.814 445 E HA 0.242 4.596 4.350 0.007 0.000 0.264 445 E C -0.590 175.986 176.600 -0.040 0.000 1.179 445 E CA -0.031 56.353 56.400 -0.027 0.000 0.972 445 E CB -0.773 28.922 29.700 -0.009 0.000 1.077 445 E HN 0.290 nan 8.360 nan 0.000 0.417 446 N N 1.546 120.217 118.700 -0.048 0.000 6.156 446 N HA -0.058 4.687 4.740 0.007 0.000 0.225 446 N C -2.939 172.526 175.510 -0.076 0.000 1.152 446 N CA -0.963 52.053 53.050 -0.057 0.000 1.075 446 N CB -0.098 38.353 38.487 -0.061 0.000 1.662 446 N HN 0.188 nan 8.380 nan 0.000 0.548 447 P HA 0.479 nan 4.420 nan 0.000 0.286 447 P C -0.994 176.252 177.300 -0.089 0.000 1.292 447 P CA -0.383 62.679 63.100 -0.063 0.000 0.842 447 P CB 0.394 32.074 31.700 -0.034 0.000 1.207 448 A N 0.923 123.699 122.820 -0.073 0.000 2.577 448 A HA 0.299 4.623 4.320 0.007 0.000 0.233 448 A C 0.239 177.804 177.584 -0.032 0.000 1.076 448 A CA 0.639 52.636 52.037 -0.067 0.000 0.767 448 A CB -0.656 18.328 19.000 -0.028 0.000 1.017 448 A HN 0.582 nan 8.150 nan 0.000 0.511 449 M N 0.584 120.186 119.600 0.003 0.000 2.371 449 M HA 0.466 4.950 4.480 0.007 0.000 0.287 449 M C -0.335 176.021 176.300 0.094 0.000 1.149 449 M CA -0.360 54.976 55.300 0.060 0.000 0.929 449 M CB 2.217 34.889 32.600 0.120 0.000 1.683 449 M HN 0.905 nan 8.290 nan 0.000 0.470 450 A N 3.280 126.145 122.820 0.075 0.000 2.362 450 A HA 0.655 4.979 4.320 0.007 0.000 0.276 450 A C -0.443 177.192 177.584 0.084 0.000 1.153 450 A CA -0.443 51.637 52.037 0.071 0.000 0.813 450 A CB 0.078 19.108 19.000 0.049 0.000 1.081 450 A HN 0.732 nan 8.150 nan 0.000 0.507 451 V N -0.765 119.200 119.914 0.085 0.000 3.102 451 V HA 0.937 5.061 4.120 0.007 0.000 0.312 451 V C 0.104 176.224 176.094 0.043 0.000 1.135 451 V CA -0.616 61.728 62.300 0.073 0.000 1.022 451 V CB 1.368 33.244 31.823 0.089 0.000 1.056 451 V HN 1.552 nan 8.190 nan 0.000 0.436 452 A N 2.710 125.549 122.820 0.032 0.000 2.290 452 A HA 0.888 5.212 4.320 0.007 0.000 0.310 452 A C -0.575 177.015 177.584 0.010 0.000 1.202 452 A CA -0.511 51.537 52.037 0.018 0.000 0.837 452 A CB 0.201 19.213 19.000 0.020 0.000 1.139 452 A HN 0.885 nan 8.150 nan 0.000 0.509 453 I N 1.805 122.366 120.570 -0.015 0.000 2.418 453 I HA 0.328 4.502 4.170 0.007 0.000 0.287 453 I C 0.032 176.127 176.117 -0.036 0.000 1.008 453 I CA -0.291 60.974 61.300 -0.058 0.000 1.104 453 I CB 2.060 39.919 38.000 -0.234 0.000 1.264 453 I HN 0.676 nan 8.210 nan 0.000 0.438 454 K N 5.241 125.668 120.400 0.045 0.000 2.263 454 K HA 0.529 4.853 4.320 0.007 0.000 0.272 454 K C -0.308 176.457 176.600 0.275 0.000 1.033 454 K CA -0.360 56.006 56.287 0.132 0.000 0.884 454 K CB 0.981 33.553 32.500 0.120 0.000 1.107 454 K HN 0.736 nan 8.250 nan 0.000 0.460 455 T N 0.301 114.992 114.554 0.229 0.000 2.918 455 T HA 0.330 4.684 4.350 0.007 0.000 0.286 455 T C -0.495 174.363 174.700 0.264 0.000 1.026 455 T CA -0.880 61.358 62.100 0.229 0.000 1.031 455 T CB 1.298 70.201 68.868 0.058 0.000 1.046 455 T HN 0.618 nan 8.240 nan 0.000 0.479 456 C N 3.974 123.281 119.300 0.010 0.000 2.273 456 C HA 0.510 4.974 4.460 0.007 0.000 0.328 456 C C 1.531 176.494 174.990 -0.045 0.000 1.275 456 C CA -0.555 58.282 59.018 -0.302 0.000 1.704 456 C CB -0.300 26.863 27.740 -0.961 0.000 2.326 456 C HN 1.187 nan 8.230 nan 0.000 0.517 457 K N 3.113 123.546 120.400 0.056 0.000 1.984 457 K HA -0.007 4.317 4.320 0.007 0.000 0.219 457 K C 0.679 177.307 176.600 0.046 0.000 1.033 457 K CA 1.253 57.588 56.287 0.081 0.000 0.983 457 K CB -0.126 32.445 32.500 0.118 0.000 0.762 457 K HN 0.671 nan 8.250 nan 0.000 0.445 458 N N 1.107 119.847 118.700 0.068 0.000 2.892 458 N HA 0.028 4.772 4.740 0.007 0.000 0.300 458 N C 0.801 176.301 175.510 -0.016 0.000 1.211 458 N CA 0.292 53.365 53.050 0.039 0.000 1.158 458 N CB -0.562 37.968 38.487 0.072 0.000 1.455 458 N HN 0.442 nan 8.380 nan 0.000 0.524 459 C N 0.301 119.572 119.300 -0.049 0.000 2.413 459 C HA -0.101 4.363 4.460 0.007 0.000 0.276 459 C C 1.865 176.798 174.990 -0.095 0.000 1.236 459 C CA 1.398 60.350 59.018 -0.110 0.000 1.735 459 C CB -1.044 26.636 27.740 -0.100 0.000 2.031 459 C HN 0.532 nan 8.230 nan 0.000 0.474 460 T N -0.901 113.617 114.554 -0.060 0.000 3.591 460 T HA 0.438 4.792 4.350 0.007 0.000 0.232 460 T C -0.075 174.601 174.700 -0.040 0.000 1.116 460 T CA 0.339 62.408 62.100 -0.051 0.000 1.063 460 T CB -0.484 68.359 68.868 -0.041 0.000 1.227 460 T HN 0.404 nan 8.240 nan 0.000 0.685 461 S N 2.137 117.809 115.700 -0.046 0.000 2.512 461 S HA 0.212 4.686 4.470 0.007 0.000 0.291 461 S C 0.741 175.309 174.600 -0.054 0.000 1.151 461 S CA -0.839 57.337 58.200 -0.040 0.000 1.120 461 S CB 0.918 64.101 63.200 -0.028 0.000 1.029 461 S HN 0.450 nan 8.310 nan 0.000 0.485 462 D N 2.860 123.232 120.400 -0.045 0.000 2.200 462 D HA -0.190 4.454 4.640 0.007 0.000 0.192 462 D C 2.031 178.297 176.300 -0.056 0.000 1.008 462 D CA 2.108 56.080 54.000 -0.047 0.000 0.872 462 D CB -0.112 40.666 40.800 -0.037 0.000 0.923 462 D HN 0.642 nan 8.370 nan 0.000 0.447 463 S N -0.536 115.126 115.700 -0.062 0.000 2.501 463 S HA 0.009 4.483 4.470 0.007 0.000 0.220 463 S C 2.042 176.583 174.600 -0.097 0.000 0.997 463 S CA 0.152 58.308 58.200 -0.073 0.000 0.919 463 S CB 0.191 63.348 63.200 -0.072 0.000 0.778 463 S HN 0.057 nan 8.310 nan 0.000 0.523 464 V N 2.212 122.054 119.914 -0.119 0.000 2.358 464 V HA -0.073 4.052 4.120 0.007 0.000 0.246 464 V C 2.896 178.904 176.094 -0.142 0.000 1.047 464 V CA 2.032 64.206 62.300 -0.209 0.000 1.035 464 V CB -0.816 30.877 31.823 -0.216 0.000 0.658 464 V HN 0.533 nan 8.190 nan 0.000 0.452 465 R N 0.049 120.490 120.500 -0.098 0.000 2.083 465 R HA -0.231 4.113 4.340 0.007 0.000 0.237 465 R C 2.327 178.649 176.300 0.037 0.000 1.137 465 R CA 2.206 58.275 56.100 -0.053 0.000 0.951 465 R CB -0.243 30.017 30.300 -0.068 0.000 0.851 465 R HN 0.599 nan 8.270 nan 0.000 0.434 466 E N -0.026 120.173 120.200 -0.003 0.000 2.077 466 E HA -0.180 4.174 4.350 0.007 0.000 0.193 466 E C 2.023 178.635 176.600 0.019 0.000 0.989 466 E CA 1.272 57.678 56.400 0.010 0.000 0.800 466 E CB 0.137 29.823 29.700 -0.024 0.000 0.746 466 E HN 0.303 nan 8.360 nan 0.000 0.452 467 K N -0.067 120.322 120.400 -0.018 0.000 2.148 467 K HA -0.125 4.199 4.320 0.007 0.000 0.204 467 K C 1.919 178.527 176.600 0.014 0.000 1.050 467 K CA 0.601 56.868 56.287 -0.032 0.000 0.942 467 K CB -0.213 32.226 32.500 -0.101 0.000 0.724 467 K HN 0.067 nan 8.250 nan 0.000 0.446 468 F N 2.523 122.401 119.950 -0.121 0.000 1.993 468 F HA -0.234 4.297 4.527 0.007 0.000 0.297 468 F C 2.018 177.820 175.800 0.003 0.000 1.177 468 F CA 1.763 59.731 58.000 -0.053 0.000 1.182 468 F CB -0.491 38.482 39.000 -0.046 0.000 0.958 468 F HN -0.071 nan 8.300 nan 0.000 0.496 469 L N -0.156 121.236 121.223 0.281 0.000 2.700 469 L HA -0.012 4.332 4.340 0.007 0.000 0.240 469 L C 1.838 178.754 176.870 0.076 0.000 1.162 469 L CA 0.647 55.590 54.840 0.172 0.000 0.874 469 L CB -0.819 41.365 42.059 0.208 0.000 1.001 469 L HN 0.384 nan 8.230 nan 0.000 0.447 470 Q N 1.267 121.091 119.800 0.041 0.000 2.046 470 Q HA -0.268 4.076 4.340 0.007 0.000 0.200 470 Q C 2.200 178.191 176.000 -0.015 0.000 0.975 470 Q CA 2.236 58.047 55.803 0.013 0.000 0.836 470 Q CB -0.132 28.611 28.738 0.007 0.000 0.896 470 Q HN 0.766 nan 8.270 nan 0.000 0.428 471 E N -0.474 119.704 120.200 -0.038 0.000 2.086 471 E HA -0.311 4.043 4.350 0.007 0.000 0.200 471 E C 1.750 178.301 176.600 -0.081 0.000 1.012 471 E CA 1.438 57.806 56.400 -0.053 0.000 0.812 471 E CB -0.314 29.318 29.700 -0.114 0.000 0.743 471 E HN 0.442 nan 8.360 nan 0.000 0.453 472 A N 1.315 124.101 122.820 -0.056 0.000 1.940 472 A HA -0.170 4.154 4.320 0.007 0.000 0.219 472 A C 2.298 179.824 177.584 -0.096 0.000 1.176 472 A CA 1.554 53.570 52.037 -0.034 0.000 0.631 472 A CB -0.702 18.356 19.000 0.096 0.000 0.814 472 A HN 0.368 nan 8.150 nan 0.000 0.446 473 L N -0.111 121.082 121.223 -0.051 0.000 2.012 473 L HA -0.203 4.141 4.340 0.007 0.000 0.210 473 L C 3.015 179.734 176.870 -0.253 0.000 1.073 473 L CA 2.087 56.873 54.840 -0.090 0.000 0.748 473 L CB -1.663 40.380 42.059 -0.027 0.000 0.891 473 L HN 0.648 nan 8.230 nan 0.000 0.431 474 T N -2.484 111.899 114.554 -0.285 0.000 2.737 474 T HA -0.232 4.122 4.350 0.007 0.000 0.265 474 T C 1.896 176.019 174.700 -0.961 0.000 1.038 474 T CA 1.085 62.866 62.100 -0.531 0.000 1.144 474 T CB -0.408 68.249 68.868 -0.351 0.000 0.866 474 T HN 0.147 nan 8.240 nan 0.000 0.434 475 M N 0.271 119.461 119.600 -0.683 0.000 2.267 475 M HA -0.063 4.421 4.480 0.007 0.000 0.263 475 M C 2.731 178.703 176.300 -0.547 0.000 1.063 475 M CA 1.115 56.035 55.300 -0.634 0.000 1.090 475 M CB -0.251 32.164 32.600 -0.308 0.000 1.392 475 M HN 0.087 nan 8.290 nan 0.000 0.422 476 R N 0.529 120.718 120.500 -0.518 0.000 2.081 476 R HA -0.130 4.214 4.340 0.007 0.000 0.235 476 R C 1.846 177.915 176.300 -0.385 0.000 1.131 476 R CA 1.390 57.198 56.100 -0.486 0.000 0.960 476 R CB -0.589 29.377 30.300 -0.557 0.000 0.856 476 R HN 0.461 nan 8.270 nan 0.000 0.436 477 Q N -0.592 118.917 119.800 -0.484 0.000 2.364 477 Q HA -0.006 4.338 4.340 0.007 0.000 0.207 477 Q C 0.332 176.282 176.000 -0.083 0.000 0.970 477 Q CA 0.598 56.206 55.803 -0.327 0.000 0.888 477 Q CB -0.061 28.450 28.738 -0.379 0.000 0.951 477 Q HN 0.301 nan 8.270 nan 0.000 0.469 478 F N 0.964 120.828 119.950 -0.142 0.000 2.404 478 F HA 0.284 4.816 4.527 0.007 0.000 0.345 478 F C 0.089 175.865 175.800 -0.040 0.000 1.110 478 F CA -1.191 56.791 58.000 -0.030 0.000 1.130 478 F CB 1.101 39.984 39.000 -0.196 0.000 1.129 478 F HN -0.164 nan 8.300 nan 0.000 0.500 479 D N 2.777 123.301 120.400 0.207 0.000 2.479 479 D HA 0.212 4.856 4.640 0.007 0.000 0.246 479 D C -1.388 174.747 176.300 -0.275 0.000 1.336 479 D CA -0.238 53.745 54.000 -0.028 0.000 0.967 479 D CB 0.712 41.504 40.800 -0.013 0.000 1.275 479 D HN 0.527 nan 8.370 nan 0.000 0.577 480 H N 3.618 122.449 119.070 -0.399 0.000 3.086 480 H HA 0.238 4.798 4.556 0.007 0.000 0.353 480 H C -2.287 172.840 175.328 -0.336 0.000 1.134 480 H CA -1.438 54.292 56.048 -0.530 0.000 1.248 480 H CB 2.380 31.628 29.762 -0.856 0.000 1.878 480 H HN 0.153 nan 8.280 nan 0.000 0.527 481 P HA -0.120 nan 4.420 nan 0.000 0.218 481 P C 0.288 177.257 177.300 -0.553 0.000 1.146 481 P CA 1.400 64.131 63.100 -0.616 0.000 0.813 481 P CB 0.169 31.366 31.700 -0.838 0.000 0.778 482 H N -1.924 117.213 119.070 0.113 0.000 2.492 482 H HA 0.406 4.967 4.556 0.007 0.000 0.264 482 H C 0.242 175.644 175.328 0.122 0.000 1.150 482 H CA -0.335 55.794 56.048 0.135 0.000 0.962 482 H CB 0.252 30.092 29.762 0.130 0.000 1.766 482 H HN 0.189 nan 8.280 nan 0.000 0.589 483 I N 0.981 121.657 120.570 0.177 0.000 2.569 483 I HA 0.089 4.263 4.170 0.007 0.000 0.290 483 I C 0.124 176.318 176.117 0.128 0.000 1.088 483 I CA -1.207 60.187 61.300 0.157 0.000 1.047 483 I CB 3.439 41.488 38.000 0.081 0.000 1.237 483 I HN -0.123 nan 8.210 nan 0.000 0.421 484 V N 6.174 126.193 119.914 0.174 0.000 2.450 484 V HA 0.131 4.255 4.120 0.007 0.000 0.281 484 V C 0.369 176.513 176.094 0.084 0.000 1.019 484 V CA 0.026 62.396 62.300 0.116 0.000 1.062 484 V CB 0.496 32.389 31.823 0.117 0.000 0.979 484 V HN 0.672 nan 8.190 nan 0.000 0.477 485 K N 4.964 125.386 120.400 0.037 0.000 2.485 485 K HA 0.221 4.545 4.320 0.007 0.000 0.277 485 K C -0.369 176.231 176.600 0.001 0.000 0.990 485 K CA 0.092 56.383 56.287 0.007 0.000 0.994 485 K CB 0.526 33.025 32.500 -0.002 0.000 0.906 485 K HN 0.786 nan 8.250 nan 0.000 0.488 486 L N 5.245 126.444 121.223 -0.039 0.000 2.278 486 L HA 0.236 4.580 4.340 0.007 0.000 0.287 486 L C 0.320 177.165 176.870 -0.043 0.000 1.072 486 L CA 0.536 55.343 54.840 -0.056 0.000 0.819 486 L CB 0.483 42.456 42.059 -0.143 0.000 1.176 486 L HN 0.776 nan 8.230 nan 0.000 0.435 487 I N 3.713 124.273 120.570 -0.016 0.000 2.296 487 I HA 0.280 4.454 4.170 0.007 0.000 0.242 487 I C 1.229 177.342 176.117 -0.006 0.000 1.087 487 I CA 1.047 62.338 61.300 -0.015 0.000 1.393 487 I CB -0.245 37.735 38.000 -0.034 0.000 1.093 487 I HN 0.782 nan 8.210 nan 0.000 0.421 488 G N -0.566 108.240 108.800 0.010 0.000 2.488 488 G HA2 0.540 4.504 3.960 0.007 0.000 0.301 488 G HA3 0.540 4.504 3.960 0.007 0.000 0.301 488 G C -1.673 173.319 174.900 0.154 0.000 1.339 488 G CA -0.060 45.110 45.100 0.117 0.000 0.803 488 G HN 0.023 nan 8.290 nan 0.000 0.482 489 V N -2.330 117.677 119.914 0.155 0.000 3.040 489 V HA 0.839 4.963 4.120 0.007 0.000 0.312 489 V C -0.579 175.534 176.094 0.031 0.000 1.115 489 V CA -1.150 61.221 62.300 0.119 0.000 0.998 489 V CB 1.984 33.890 31.823 0.139 0.000 1.042 489 V HN 0.765 nan 8.190 nan 0.000 0.433 490 I N 2.548 123.151 120.570 0.055 0.000 2.437 490 I HA 0.317 4.491 4.170 0.007 0.000 0.279 490 I C 1.062 177.146 176.117 -0.055 0.000 1.028 490 I CA -0.136 61.139 61.300 -0.042 0.000 1.142 490 I CB 2.050 39.983 38.000 -0.113 0.000 1.266 490 I HN 0.946 nan 8.210 nan 0.000 0.461 491 T N 0.834 115.347 114.554 -0.068 0.000 3.219 491 T HA 0.235 4.589 4.350 0.007 0.000 0.249 491 T C 0.400 175.053 174.700 -0.077 0.000 1.099 491 T CA -0.104 61.966 62.100 -0.049 0.000 0.988 491 T CB -0.269 68.565 68.868 -0.058 0.000 0.999 491 T HN 0.498 nan 8.240 nan 0.000 0.550 492 E N 2.094 122.220 120.200 -0.123 0.000 2.171 492 E HA 0.314 4.668 4.350 0.007 0.000 0.271 492 E C -0.727 175.769 176.600 -0.172 0.000 0.916 492 E CA -1.098 55.222 56.400 -0.133 0.000 0.774 492 E CB 0.847 30.464 29.700 -0.139 0.000 1.128 492 E HN 0.236 nan 8.360 nan 0.000 0.403 493 N N 4.039 122.657 118.700 -0.137 0.000 2.365 493 N HA 0.044 4.789 4.740 0.007 0.000 0.265 493 N C -2.156 173.252 175.510 -0.170 0.000 1.288 493 N CA -0.411 52.555 53.050 -0.141 0.000 0.869 493 N CB -0.214 38.213 38.487 -0.100 0.000 1.071 493 N HN 0.284 nan 8.380 nan 0.000 0.480 494 P HA 0.163 nan 4.420 nan 0.000 0.291 494 P C -0.219 176.932 177.300 -0.248 0.000 1.340 494 P CA -0.496 62.508 63.100 -0.160 0.000 0.799 494 P CB 0.580 32.266 31.700 -0.023 0.000 0.917 495 V N 4.527 124.337 119.914 -0.173 0.000 2.681 495 V HA -0.092 4.032 4.120 0.007 0.000 0.306 495 V C 0.233 176.451 176.094 0.207 0.000 1.077 495 V CA 0.750 63.004 62.300 -0.077 0.000 1.224 495 V CB -0.719 31.069 31.823 -0.058 0.000 0.879 495 V HN 0.537 nan 8.190 nan 0.000 0.494 496 W N 4.727 126.066 121.300 0.064 0.000 2.799 496 W HA 0.727 5.391 4.660 0.007 0.000 0.349 496 W C -0.335 176.286 176.519 0.171 0.000 1.100 496 W CA -1.507 55.922 57.345 0.141 0.000 1.174 496 W CB 1.275 30.781 29.460 0.076 0.000 1.427 496 W HN 0.281 nan 8.180 nan 0.000 0.547 497 I N 4.111 124.937 120.570 0.426 0.000 2.465 497 I HA 0.327 4.501 4.170 0.007 0.000 0.291 497 I C -0.564 175.652 176.117 0.164 0.000 1.014 497 I CA -1.048 60.403 61.300 0.252 0.000 1.093 497 I CB 1.678 39.785 38.000 0.179 0.000 1.267 497 I HN -0.040 nan 8.210 nan 0.000 0.431 498 I N 6.828 127.459 120.570 0.103 0.000 2.354 498 I HA 0.516 4.690 4.170 0.007 0.000 0.292 498 I C -0.070 176.057 176.117 0.017 0.000 0.989 498 I CA -0.476 60.845 61.300 0.035 0.000 1.188 498 I CB 1.303 39.269 38.000 -0.058 0.000 1.342 498 I HN 0.583 nan 8.210 nan 0.000 0.457 499 M N 3.990 123.604 119.600 0.023 0.000 2.631 499 M HA 0.557 5.041 4.480 0.007 0.000 0.288 499 M C -0.190 176.130 176.300 0.033 0.000 1.260 499 M CA -0.935 54.381 55.300 0.027 0.000 0.842 499 M CB 2.433 35.057 32.600 0.040 0.000 1.743 499 M HN 0.547 nan 8.290 nan 0.000 0.461 500 E N 1.407 121.629 120.200 0.036 0.000 2.418 500 E HA 0.272 4.627 4.350 0.007 0.000 0.261 500 E C -1.475 175.146 176.600 0.036 0.000 1.070 500 E CA -0.568 55.856 56.400 0.040 0.000 0.931 500 E CB 1.057 30.777 29.700 0.034 0.000 0.954 500 E HN 0.604 nan 8.360 nan 0.000 0.439 501 L N 3.513 124.757 121.223 0.035 0.000 2.276 501 L HA 0.266 4.610 4.340 0.007 0.000 0.286 501 L C -1.198 175.682 176.870 0.017 0.000 1.024 501 L CA -0.652 54.204 54.840 0.026 0.000 0.826 501 L CB 0.801 42.879 42.059 0.032 0.000 1.211 501 L HN 0.690 nan 8.230 nan 0.000 0.422 502 C N 4.206 123.510 119.300 0.006 0.000 2.383 502 C HA 0.192 4.656 4.460 0.007 0.000 0.350 502 C C 1.974 176.954 174.990 -0.018 0.000 1.173 502 C CA -0.315 58.695 59.018 -0.012 0.000 1.645 502 C CB -0.917 26.806 27.740 -0.028 0.000 2.221 502 C HN 0.989 nan 8.230 nan 0.000 0.528 503 T N 2.608 117.156 114.554 -0.010 0.000 2.737 503 T HA -0.077 4.278 4.350 0.007 0.000 0.265 503 T C 1.611 176.314 174.700 0.006 0.000 1.038 503 T CA 1.385 63.488 62.100 0.005 0.000 1.144 503 T CB -0.063 68.814 68.868 0.016 0.000 0.866 503 T HN 0.657 nan 8.240 nan 0.000 0.434 504 L N 0.789 122.003 121.223 -0.014 0.000 2.622 504 L HA 0.191 4.536 4.340 0.007 0.000 0.233 504 L C 1.685 178.542 176.870 -0.021 0.000 1.156 504 L CA -0.013 54.827 54.840 -0.000 0.000 0.866 504 L CB -1.448 40.579 42.059 -0.054 0.000 0.980 504 L HN 0.438 nan 8.230 nan 0.000 0.448 505 G N 1.358 110.133 108.800 -0.040 0.000 2.569 505 G HA2 -0.284 3.680 3.960 0.007 0.000 0.259 505 G HA3 -0.284 3.680 3.960 0.007 0.000 0.259 505 G C -0.116 174.754 174.900 -0.051 0.000 1.263 505 G CA 0.005 45.090 45.100 -0.025 0.000 0.928 505 G HN 0.518 nan 8.290 nan 0.000 0.572 506 E N 0.534 120.730 120.200 -0.007 0.000 2.384 506 E HA 0.356 4.710 4.350 0.007 0.000 0.266 506 E C 1.393 178.003 176.600 0.017 0.000 1.012 506 E CA -0.306 56.090 56.400 -0.007 0.000 0.901 506 E CB 1.444 31.151 29.700 0.012 0.000 0.967 506 E HN 0.561 nan 8.360 nan 0.000 0.435 507 L N 3.866 125.078 121.223 -0.020 0.000 2.017 507 L HA -0.185 4.159 4.340 0.007 0.000 0.208 507 L C 2.358 179.306 176.870 0.129 0.000 1.073 507 L CA 1.809 56.648 54.840 -0.001 0.000 0.745 507 L CB -0.437 41.587 42.059 -0.058 0.000 0.894 507 L HN 0.577 nan 8.230 nan 0.000 0.432 508 R N -0.983 119.579 120.500 0.105 0.000 2.097 508 R HA -0.219 4.125 4.340 0.007 0.000 0.236 508 R C 2.516 178.892 176.300 0.127 0.000 1.135 508 R CA 1.911 58.085 56.100 0.124 0.000 0.934 508 R CB -0.937 29.432 30.300 0.116 0.000 0.846 508 R HN 0.503 nan 8.270 nan 0.000 0.431 509 S N 0.144 115.915 115.700 0.117 0.000 2.370 509 S HA -0.190 4.284 4.470 0.007 0.000 0.226 509 S C 1.744 176.415 174.600 0.120 0.000 1.033 509 S CA 1.340 59.600 58.200 0.101 0.000 1.011 509 S CB -0.329 62.925 63.200 0.089 0.000 0.852 509 S HN 0.382 nan 8.310 nan 0.000 0.457 510 F N 1.955 121.908 119.950 0.005 0.000 2.102 510 F HA -0.034 4.497 4.527 0.007 0.000 0.298 510 F C 1.804 177.619 175.800 0.025 0.000 1.105 510 F CA 1.605 59.608 58.000 0.004 0.000 1.239 510 F CB -0.386 38.596 39.000 -0.029 0.000 0.991 510 F HN 0.201 nan 8.300 nan 0.000 0.474 511 L N -0.097 121.200 121.223 0.124 0.000 1.994 511 L HA -0.248 4.096 4.340 0.007 0.000 0.208 511 L C 2.602 179.456 176.870 -0.027 0.000 1.071 511 L CA 1.698 56.571 54.840 0.055 0.000 0.745 511 L CB -1.044 41.118 42.059 0.171 0.000 0.892 511 L HN 0.176 nan 8.230 nan 0.000 0.431 512 Q N -0.508 119.292 119.800 0.000 0.000 2.133 512 Q HA -0.225 4.119 4.340 0.007 0.000 0.208 512 Q C 2.263 178.203 176.000 -0.100 0.000 0.991 512 Q CA 1.960 57.739 55.803 -0.039 0.000 0.867 512 Q CB -0.176 28.566 28.738 0.005 0.000 0.911 512 Q HN 0.303 nan 8.270 nan 0.000 0.417 513 V N -0.204 119.650 119.914 -0.100 0.000 2.548 513 V HA -0.162 3.962 4.120 0.007 0.000 0.249 513 V C 1.432 177.429 176.094 -0.161 0.000 1.055 513 V CA 1.522 63.758 62.300 -0.108 0.000 1.065 513 V CB -0.148 31.626 31.823 -0.082 0.000 0.681 513 V HN 0.191 nan 8.190 nan 0.000 0.462 514 R N -0.421 119.925 120.500 -0.257 0.000 2.586 514 R HA 0.155 4.499 4.340 0.007 0.000 0.306 514 R C 1.858 178.010 176.300 -0.246 0.000 1.079 514 R CA -0.158 55.792 56.100 -0.250 0.000 1.083 514 R CB -0.051 30.015 30.300 -0.390 0.000 1.306 514 R HN 0.264 nan 8.270 nan 0.000 0.567 515 K N 0.076 120.243 120.400 -0.388 0.000 2.286 515 K HA -0.135 4.189 4.320 0.007 0.000 0.203 515 K C -0.186 175.826 176.600 -0.979 0.000 1.045 515 K CA 1.262 57.032 56.287 -0.861 0.000 0.935 515 K CB 0.175 32.082 32.500 -0.988 0.000 0.737 515 K HN 0.155 nan 8.250 nan 0.000 0.460 516 F N -0.720 119.095 119.950 -0.225 0.000 2.814 516 F HA 0.126 4.656 4.527 0.006 0.000 0.326 516 F C 0.579 176.321 175.800 -0.097 0.000 1.159 516 F CA -0.390 57.516 58.000 -0.156 0.000 1.234 516 F CB 0.972 39.900 39.000 -0.120 0.000 1.016 516 F HN -0.061 nan 8.300 nan 0.000 0.510 517 S N -1.644 114.076 115.700 0.034 0.000 2.702 517 S HA 0.308 4.782 4.470 0.007 0.000 0.257 517 S C -0.367 174.244 174.600 0.018 0.000 0.981 517 S CA -0.240 57.979 58.200 0.030 0.000 1.414 517 S CB -0.283 62.927 63.200 0.017 0.000 1.239 517 S HN 0.087 nan 8.310 nan 0.000 0.676 518 L N 4.524 125.758 121.223 0.017 0.000 2.283 518 L HA 0.422 4.766 4.340 0.007 0.000 0.281 518 L C -0.463 176.465 176.870 0.095 0.000 1.033 518 L CA -0.743 54.140 54.840 0.072 0.000 0.848 518 L CB 0.916 43.048 42.059 0.122 0.000 1.226 518 L HN 0.368 nan 8.230 nan 0.000 0.429 519 D N 2.448 122.879 120.400 0.052 0.000 2.406 519 D HA -0.136 4.508 4.640 0.007 0.000 0.234 519 D C 1.079 177.385 176.300 0.011 0.000 1.196 519 D CA -0.389 53.629 54.000 0.031 0.000 0.881 519 D CB 1.388 42.193 40.800 0.008 0.000 1.205 519 D HN 0.282 nan 8.370 nan 0.000 0.453 520 L N 1.433 122.653 121.223 -0.005 0.000 2.131 520 L HA -0.079 4.265 4.340 0.007 0.000 0.210 520 L C 2.336 179.163 176.870 -0.071 0.000 1.092 520 L CA 2.196 57.013 54.840 -0.040 0.000 0.759 520 L CB -0.943 41.095 42.059 -0.035 0.000 0.903 520 L HN 0.604 nan 8.230 nan 0.000 0.435 521 A N -1.074 121.706 122.820 -0.066 0.000 1.902 521 A HA -0.196 4.128 4.320 0.007 0.000 0.217 521 A C 2.348 179.841 177.584 -0.151 0.000 1.181 521 A CA 2.014 53.998 52.037 -0.089 0.000 0.623 521 A CB -0.969 17.991 19.000 -0.067 0.000 0.818 521 A HN 0.579 nan 8.150 nan 0.000 0.443 522 S N 0.427 116.021 115.700 -0.178 0.000 2.382 522 S HA -0.095 4.379 4.470 0.007 0.000 0.228 522 S C 1.801 176.026 174.600 -0.625 0.000 1.027 522 S CA 1.372 59.351 58.200 -0.368 0.000 0.991 522 S CB -0.603 62.444 63.200 -0.256 0.000 0.823 522 S HN 0.485 nan 8.310 nan 0.000 0.469 523 L N 1.812 122.845 121.223 -0.316 0.000 2.013 523 L HA -0.122 4.222 4.340 0.007 0.000 0.212 523 L C 2.612 179.392 176.870 -0.150 0.000 1.073 523 L CA 1.679 56.403 54.840 -0.194 0.000 0.753 523 L CB -0.759 41.219 42.059 -0.134 0.000 0.890 523 L HN 0.417 nan 8.230 nan 0.000 0.432 524 I N -1.530 118.963 120.570 -0.129 0.000 2.546 524 I HA -0.215 3.959 4.170 0.007 0.000 0.255 524 I C 2.450 178.555 176.117 -0.021 0.000 1.163 524 I CA 0.979 62.248 61.300 -0.052 0.000 1.457 524 I CB -0.050 37.927 38.000 -0.039 0.000 1.092 524 I HN 0.186 nan 8.210 nan 0.000 0.434 525 L N 1.675 122.818 121.223 -0.133 0.000 1.970 525 L HA -0.233 4.112 4.340 0.007 0.000 0.212 525 L C 2.447 179.346 176.870 0.048 0.000 1.071 525 L CA 2.162 56.955 54.840 -0.077 0.000 0.751 525 L CB -1.300 40.641 42.059 -0.196 0.000 0.889 525 L HN 0.248 nan 8.230 nan 0.000 0.432 526 Y N 0.416 120.749 120.300 0.056 0.000 2.069 526 Y HA -0.295 4.259 4.550 0.007 0.000 0.278 526 Y C 2.700 178.639 175.900 0.064 0.000 1.175 526 Y CA 1.221 59.338 58.100 0.028 0.000 1.134 526 Y CB -1.873 36.606 38.460 0.032 0.000 0.965 526 Y HN 0.345 nan 8.280 nan 0.000 0.498 527 A N -0.372 122.600 122.820 0.253 0.000 1.884 527 A HA -0.321 4.003 4.320 0.007 0.000 0.219 527 A C 2.209 179.996 177.584 0.338 0.000 1.197 527 A CA 2.126 54.318 52.037 0.259 0.000 0.637 527 A CB -1.624 17.463 19.000 0.146 0.000 0.827 527 A HN 0.579 nan 8.150 nan 0.000 0.450 528 Y N 0.692 121.075 120.300 0.139 0.000 2.070 528 Y HA -0.297 4.257 4.550 0.006 0.000 0.280 528 Y C 2.647 178.582 175.900 0.058 0.000 1.148 528 Y CA 2.419 60.581 58.100 0.104 0.000 1.125 528 Y CB -0.630 37.860 38.460 0.050 0.000 0.975 528 Y HN 0.470 nan 8.280 nan 0.000 0.492 529 Q N -0.031 119.739 119.800 -0.050 0.000 2.062 529 Q HA -0.272 4.072 4.340 0.007 0.000 0.209 529 Q C 2.341 178.163 176.000 -0.297 0.000 0.996 529 Q CA 1.973 57.535 55.803 -0.401 0.000 0.859 529 Q CB -0.631 27.729 28.738 -0.631 0.000 0.920 529 Q HN 0.501 nan 8.270 nan 0.000 0.415 530 L N 1.022 122.183 121.223 -0.103 0.000 1.978 530 L HA -0.256 4.088 4.340 0.007 0.000 0.218 530 L C 2.801 179.553 176.870 -0.196 0.000 1.075 530 L CA 2.414 57.233 54.840 -0.036 0.000 0.767 530 L CB -1.244 40.959 42.059 0.239 0.000 0.890 530 L HN 0.411 nan 8.230 nan 0.000 0.434 531 S N -1.257 114.318 115.700 -0.208 0.000 2.383 531 S HA -0.225 4.250 4.470 0.007 0.000 0.229 531 S C 1.991 176.410 174.600 -0.302 0.000 1.030 531 S CA 1.917 59.900 58.200 -0.362 0.000 1.002 531 S CB -1.028 62.085 63.200 -0.145 0.000 0.829 531 S HN 0.654 nan 8.310 nan 0.000 0.467 532 T N 0.741 115.111 114.554 -0.306 0.000 2.720 532 T HA -0.020 4.334 4.350 0.007 0.000 0.268 532 T C 1.995 176.563 174.700 -0.221 0.000 1.037 532 T CA 1.622 63.619 62.100 -0.172 0.000 1.144 532 T CB -1.115 67.712 68.868 -0.069 0.000 0.864 532 T HN 0.633 nan 8.240 nan 0.000 0.444 533 A N 1.711 124.347 122.820 -0.307 0.000 1.877 533 A HA 0.146 4.471 4.320 0.007 0.000 0.216 533 A C 2.518 179.820 177.584 -0.469 0.000 1.186 533 A CA 1.617 53.317 52.037 -0.561 0.000 0.620 533 A CB -0.958 17.886 19.000 -0.260 0.000 0.822 533 A HN 0.566 nan 8.150 nan 0.000 0.443 534 L N -0.686 120.227 121.223 -0.517 0.000 2.046 534 L HA -0.186 4.158 4.340 0.007 0.000 0.208 534 L C 3.089 179.564 176.870 -0.658 0.000 1.077 534 L CA 1.117 55.478 54.840 -0.798 0.000 0.747 534 L CB -0.578 40.617 42.059 -1.439 0.000 0.896 534 L HN 0.419 nan 8.230 nan 0.000 0.432 535 A N -0.608 121.986 122.820 -0.377 0.000 1.908 535 A HA -0.303 4.021 4.320 0.007 0.000 0.218 535 A C 2.242 179.757 177.584 -0.115 0.000 1.181 535 A CA 1.782 53.745 52.037 -0.122 0.000 0.627 535 A CB -1.012 17.978 19.000 -0.017 0.000 0.818 535 A HN 0.522 nan 8.150 nan 0.000 0.445 536 Y N 0.407 120.528 120.300 -0.298 0.000 2.165 536 Y HA -0.197 4.357 4.550 0.007 0.000 0.286 536 Y C 1.956 177.689 175.900 -0.278 0.000 1.155 536 Y CA 2.028 59.962 58.100 -0.277 0.000 1.164 536 Y CB -0.188 37.980 38.460 -0.487 0.000 0.978 536 Y HN 0.229 nan 8.280 nan 0.000 0.513 537 L N 0.232 121.222 121.223 -0.388 0.000 2.072 537 L HA -0.163 4.181 4.340 0.007 0.000 0.205 537 L C 2.565 179.325 176.870 -0.185 0.000 1.079 537 L CA 1.685 56.283 54.840 -0.402 0.000 0.752 537 L CB -0.703 41.190 42.059 -0.277 0.000 0.906 537 L HN 0.321 nan 8.230 nan 0.000 0.436 538 E N 0.633 120.743 120.200 -0.151 0.000 2.118 538 E HA -0.280 4.074 4.350 0.007 0.000 0.195 538 E C 2.230 178.817 176.600 -0.022 0.000 0.992 538 E CA 1.801 58.193 56.400 -0.014 0.000 0.804 538 E CB 0.020 29.773 29.700 0.090 0.000 0.741 538 E HN 0.506 nan 8.360 nan 0.000 0.458 539 S N 0.239 115.885 115.700 -0.090 0.000 2.383 539 S HA -0.102 4.372 4.470 0.007 0.000 0.227 539 S C 1.628 176.168 174.600 -0.100 0.000 1.026 539 S CA 0.922 59.072 58.200 -0.082 0.000 0.981 539 S CB -0.152 62.990 63.200 -0.097 0.000 0.818 539 S HN 0.195 nan 8.310 nan 0.000 0.472 540 K N 0.821 121.117 120.400 -0.173 0.000 2.504 540 K HA 0.274 4.598 4.320 0.007 0.000 0.199 540 K C -0.310 176.311 176.600 0.035 0.000 1.028 540 K CA -0.240 55.986 56.287 -0.102 0.000 1.164 540 K CB -0.030 32.352 32.500 -0.197 0.000 0.877 540 K HN 0.274 nan 8.250 nan 0.000 0.508 541 R N 0.648 121.173 120.500 0.041 0.000 3.158 541 R HA -0.206 4.138 4.340 0.007 0.000 0.244 541 R C -0.874 175.523 176.300 0.162 0.000 0.900 541 R CA 0.415 56.565 56.100 0.084 0.000 0.618 541 R CB -1.682 28.655 30.300 0.062 0.000 1.061 541 R HN 0.197 nan 8.270 nan 0.000 0.471 542 F N 0.015 119.977 119.950 0.020 0.000 2.493 542 F HA 0.488 5.019 4.527 0.007 0.000 0.329 542 F C -0.315 175.537 175.800 0.087 0.000 1.126 542 F CA -1.036 57.011 58.000 0.077 0.000 0.937 542 F CB 1.380 40.461 39.000 0.135 0.000 1.146 542 F HN -0.186 nan 8.300 nan 0.000 0.442 543 V N 7.062 126.724 119.914 -0.421 0.000 2.407 543 V HA 0.111 4.235 4.120 0.007 0.000 0.278 543 V C 0.725 176.621 176.094 -0.330 0.000 1.037 543 V CA -0.150 62.038 62.300 -0.188 0.000 0.900 543 V CB 1.140 32.920 31.823 -0.071 0.000 0.983 543 V HN 0.993 nan 8.190 nan 0.000 0.459 544 H N 4.381 123.451 119.070 0.001 0.000 2.372 544 H HA 0.055 4.616 4.556 0.007 0.000 0.301 544 H C 1.712 177.049 175.328 0.015 0.000 1.065 544 H CA 1.754 57.881 56.048 0.131 0.000 1.364 544 H CB 0.165 30.032 29.762 0.174 0.000 1.406 544 H HN 0.691 nan 8.280 nan 0.000 0.521 545 R N -1.458 119.166 120.500 0.206 0.000 3.785 545 R HA -0.176 4.168 4.340 0.007 0.000 0.476 545 R C -0.831 175.587 176.300 0.196 0.000 0.905 545 R CA 1.202 57.366 56.100 0.107 0.000 1.412 545 R CB -1.510 28.633 30.300 -0.261 0.000 2.077 545 R HN 0.425 nan 8.270 nan 0.000 0.504 546 D N 0.111 120.756 120.400 0.408 0.000 3.118 546 D HA 0.258 4.902 4.640 0.007 0.000 0.259 546 D C -0.953 175.490 176.300 0.240 0.000 1.292 546 D CA -0.228 53.941 54.000 0.282 0.000 0.784 546 D CB 0.301 41.161 40.800 0.100 0.000 1.413 546 D HN 0.160 nan 8.370 nan 0.000 0.583 547 I N 1.596 122.274 120.570 0.179 0.000 2.301 547 I HA 0.675 4.849 4.170 0.007 0.000 0.292 547 I C 0.307 176.518 176.117 0.156 0.000 1.046 547 I CA -0.220 61.118 61.300 0.062 0.000 1.282 547 I CB 1.154 39.259 38.000 0.175 0.000 1.409 547 I HN 0.260 nan 8.210 nan 0.000 0.484 548 A N 4.451 127.301 122.820 0.049 0.000 2.608 548 A HA 0.727 5.051 4.320 0.007 0.000 0.292 548 A C 0.399 178.020 177.584 0.063 0.000 1.066 548 A CA -0.065 52.013 52.037 0.069 0.000 0.676 548 A CB 0.914 19.667 19.000 -0.412 0.000 1.277 548 A HN 0.693 nan 8.150 nan 0.000 0.413 549 A N 0.851 123.766 122.820 0.159 0.000 1.940 549 A HA -0.152 4.172 4.320 0.007 0.000 0.219 549 A C 2.000 179.606 177.584 0.036 0.000 1.176 549 A CA 2.062 54.163 52.037 0.108 0.000 0.631 549 A CB -0.675 18.423 19.000 0.163 0.000 0.814 549 A HN 1.155 nan 8.150 nan 0.000 0.446 550 R N -0.670 119.831 120.500 0.003 0.000 2.139 550 R HA -0.130 4.215 4.340 0.007 0.000 0.243 550 R C 0.716 176.985 176.300 -0.052 0.000 1.145 550 R CA 1.789 57.865 56.100 -0.039 0.000 0.976 550 R CB -0.568 29.669 30.300 -0.105 0.000 0.866 550 R HN 0.359 nan 8.270 nan 0.000 0.449 551 N N 0.596 119.260 118.700 -0.060 0.000 2.322 551 N HA 0.111 4.855 4.740 0.007 0.000 0.194 551 N C -0.944 174.530 175.510 -0.060 0.000 1.126 551 N CA 0.188 53.204 53.050 -0.057 0.000 0.845 551 N CB 1.024 39.487 38.487 -0.041 0.000 0.976 551 N HN 0.007 nan 8.380 nan 0.000 0.475 552 V N 1.958 121.843 119.914 -0.049 0.000 2.448 552 V HA 0.438 4.562 4.120 0.007 0.000 0.295 552 V C 0.143 176.192 176.094 -0.076 0.000 1.025 552 V CA -0.778 61.488 62.300 -0.058 0.000 0.859 552 V CB 2.030 33.824 31.823 -0.048 0.000 0.988 552 V HN -0.062 nan 8.190 nan 0.000 0.431 553 L N 4.258 125.434 121.223 -0.079 0.000 2.352 553 L HA 0.710 5.054 4.340 0.007 0.000 0.269 553 L C -0.518 176.252 176.870 -0.167 0.000 1.034 553 L CA -1.003 53.778 54.840 -0.099 0.000 0.806 553 L CB 1.855 43.881 42.059 -0.055 0.000 1.244 553 L HN 0.322 nan 8.230 nan 0.000 0.447 554 V N 0.417 120.190 119.914 -0.235 0.000 2.326 554 V HA 0.101 4.225 4.120 0.007 0.000 0.281 554 V C 0.823 176.790 176.094 -0.212 0.000 1.015 554 V CA -0.065 62.023 62.300 -0.352 0.000 0.823 554 V CB 1.229 32.596 31.823 -0.760 0.000 1.009 554 V HN 0.974 nan 8.190 nan 0.000 0.436 555 S N 2.947 118.575 115.700 -0.121 0.000 2.496 555 S HA 0.108 4.582 4.470 0.007 0.000 0.224 555 S C 0.698 175.270 174.600 -0.047 0.000 0.996 555 S CA 0.720 58.887 58.200 -0.055 0.000 0.927 555 S CB 0.183 63.376 63.200 -0.010 0.000 0.774 555 S HN 0.885 nan 8.310 nan 0.000 0.524 556 S N 0.094 115.747 115.700 -0.077 0.000 2.565 556 S HA 0.303 4.777 4.470 0.007 0.000 0.274 556 S C 0.323 174.918 174.600 -0.008 0.000 1.144 556 S CA -0.102 58.088 58.200 -0.017 0.000 0.849 556 S CB 0.296 63.516 63.200 0.033 0.000 1.103 556 S HN 0.378 nan 8.310 nan 0.000 0.455 557 N N 2.544 121.297 118.700 0.089 0.000 2.133 557 N HA -0.198 4.546 4.740 0.007 0.000 0.193 557 N C 0.598 176.280 175.510 0.287 0.000 1.012 557 N CA 2.316 55.502 53.050 0.226 0.000 0.871 557 N CB -0.516 38.114 38.487 0.238 0.000 1.011 557 N HN 0.746 nan 8.380 nan 0.000 0.435 558 D N -1.746 118.778 120.400 0.207 0.000 2.525 558 D HA 0.160 4.804 4.640 0.007 0.000 0.229 558 D C -0.720 175.722 176.300 0.236 0.000 1.202 558 D CA -0.658 53.476 54.000 0.224 0.000 0.828 558 D CB -0.702 40.179 40.800 0.135 0.000 1.008 558 D HN 0.287 nan 8.370 nan 0.000 0.493 559 C N 1.220 120.642 119.300 0.202 0.000 2.817 559 C HA 0.535 4.999 4.460 0.007 0.000 0.385 559 C C -0.679 174.325 174.990 0.024 0.000 1.050 559 C CA -0.584 58.531 59.018 0.163 0.000 1.245 559 C CB 0.293 28.128 27.740 0.158 0.000 1.706 559 C HN 0.258 nan 8.230 nan 0.000 0.488 560 V N 3.680 123.599 119.914 0.008 0.000 2.881 560 V HA 0.780 4.904 4.120 0.007 0.000 0.316 560 V C -0.756 175.376 176.094 0.063 0.000 1.070 560 V CA -0.549 61.700 62.300 -0.084 0.000 0.976 560 V CB 1.850 33.557 31.823 -0.195 0.000 1.038 560 V HN 0.853 nan 8.190 nan 0.000 0.446 561 K N 2.777 123.193 120.400 0.027 0.000 2.427 561 K HA 0.537 4.861 4.320 0.007 0.000 0.252 561 K C -1.371 175.254 176.600 0.042 0.000 0.931 561 K CA -0.739 55.600 56.287 0.088 0.000 0.793 561 K CB 2.748 35.298 32.500 0.083 0.000 1.211 561 K HN 0.706 nan 8.250 nan 0.000 0.426 562 L N 2.228 123.490 121.223 0.065 0.000 2.367 562 L HA 0.363 4.707 4.340 0.007 0.000 0.275 562 L C 0.179 177.076 176.870 0.045 0.000 1.129 562 L CA 0.272 55.115 54.840 0.005 0.000 0.839 562 L CB 0.779 42.827 42.059 -0.018 0.000 1.133 562 L HN 0.860 nan 8.230 nan 0.000 0.453 563 G N 1.975 110.732 108.800 -0.071 0.000 2.600 563 G HA2 0.508 4.472 3.960 0.007 0.000 0.303 563 G HA3 0.508 4.472 3.960 0.007 0.000 0.303 563 G C -0.786 173.958 174.900 -0.261 0.000 1.253 563 G CA 0.492 45.559 45.100 -0.056 0.000 0.974 563 G HN 0.812 nan 8.290 nan 0.000 0.483 564 D N -1.677 118.636 120.400 -0.145 0.000 5.096 564 D HA -0.233 4.411 4.640 0.007 0.000 0.138 564 D C 0.644 176.901 176.300 -0.071 0.000 0.614 564 D CA 1.156 55.066 54.000 -0.150 0.000 1.160 564 D CB -1.552 39.148 40.800 -0.167 0.000 0.803 564 D HN 1.282 nan 8.370 nan 0.000 0.573 565 F N -0.993 118.954 119.950 -0.005 0.000 3.018 565 F HA -0.006 4.525 4.527 0.007 0.000 0.287 565 F C 0.870 176.677 175.800 0.012 0.000 0.813 565 F CA 0.587 58.610 58.000 0.039 0.000 1.209 565 F CB -2.014 37.048 39.000 0.104 0.000 1.321 565 F HN 0.497 nan 8.300 nan 0.000 0.477 566 G N -0.130 108.698 108.800 0.046 0.000 2.535 566 G HA2 0.662 4.626 3.960 0.007 0.000 0.303 566 G HA3 0.662 4.626 3.960 0.007 0.000 0.303 566 G C -0.716 174.203 174.900 0.031 0.000 1.237 566 G CA -0.820 44.291 45.100 0.019 0.000 0.986 566 G HN 0.082 nan 8.290 nan 0.000 0.494 567 L N -0.346 120.915 121.223 0.062 0.000 2.331 567 L HA 0.437 4.781 4.340 0.007 0.000 0.275 567 L C 0.797 177.773 176.870 0.177 0.000 1.022 567 L CA -0.281 54.615 54.840 0.093 0.000 0.812 567 L CB 2.459 44.570 42.059 0.086 0.000 1.257 567 L HN 0.548 nan 8.230 nan 0.000 0.435 568 S N 0.549 116.330 115.700 0.135 0.000 2.661 568 S HA 0.467 4.941 4.470 0.007 0.000 0.245 568 S C -0.001 174.711 174.600 0.187 0.000 1.117 568 S CA -0.864 57.417 58.200 0.135 0.000 1.091 568 S CB -0.083 63.124 63.200 0.012 0.000 0.887 568 S HN 0.345 nan 8.310 nan 0.000 0.491 569 R N 1.147 121.831 120.500 0.307 0.000 2.474 569 R HA 0.638 4.982 4.340 0.007 0.000 0.295 569 R C -1.452 175.096 176.300 0.413 0.000 0.980 569 R CA -1.132 55.221 56.100 0.422 0.000 0.934 569 R CB 0.041 30.584 30.300 0.405 0.000 1.101 569 R HN 0.417 nan 8.270 nan 0.000 0.469 570 Y N 2.345 122.727 120.300 0.135 0.000 2.421 570 Y HA 0.209 4.763 4.550 0.007 0.000 0.339 570 Y C 0.425 176.364 175.900 0.066 0.000 0.996 570 Y CA -0.926 57.226 58.100 0.087 0.000 1.046 570 Y CB 1.625 40.132 38.460 0.078 0.000 1.226 570 Y HN 0.434 nan 8.280 nan 0.000 0.445 571 M N 1.522 121.028 119.600 -0.156 0.000 2.553 571 M HA 0.165 4.649 4.480 0.007 0.000 0.255 571 M C 1.174 177.319 176.300 -0.259 0.000 1.181 571 M CA 1.247 56.194 55.300 -0.587 0.000 1.210 571 M CB -0.765 31.487 32.600 -0.579 0.000 1.280 571 M HN 0.669 nan 8.290 nan 0.000 0.495 572 E N 0.463 120.588 120.200 -0.125 0.000 3.555 572 E HA 0.242 4.596 4.350 0.007 0.000 0.187 572 E C -0.649 175.914 176.600 -0.061 0.000 1.267 572 E CA 0.828 57.181 56.400 -0.079 0.000 1.353 572 E CB 0.818 30.500 29.700 -0.029 0.000 2.031 572 E HN 0.281 nan 8.360 nan 0.000 0.522 585 P HA 0.149 nan 4.420 nan 0.000 0.218 585 P C 1.224 178.746 177.300 0.370 0.000 1.793 585 P CA -0.384 62.834 63.100 0.196 0.000 0.941 585 P CB 0.021 31.719 31.700 -0.003 0.000 1.919 586 I N 1.111 121.828 120.570 0.245 0.000 2.113 586 I HA -0.299 3.875 4.170 0.007 0.000 0.242 586 I C 1.926 178.162 176.117 0.199 0.000 1.057 586 I CA 1.688 63.083 61.300 0.159 0.000 1.314 586 I CB -1.056 36.982 38.000 0.063 0.000 1.022 586 I HN 0.250 nan 8.210 nan 0.000 0.408 587 K N -1.099 119.464 120.400 0.272 0.000 2.442 587 K HA -0.178 4.146 4.320 0.007 0.000 0.198 587 K C 1.722 178.399 176.600 0.129 0.000 1.044 587 K CA 0.917 57.309 56.287 0.175 0.000 0.948 587 K CB -0.107 32.448 32.500 0.091 0.000 0.762 587 K HN 0.524 nan 8.250 nan 0.000 0.472 588 W N 0.283 121.698 121.300 0.191 0.000 3.127 588 W HA 0.246 4.911 4.660 0.010 0.000 0.344 588 W C 0.208 176.901 176.519 0.290 0.000 1.151 588 W CA -0.474 57.023 57.345 0.254 0.000 1.765 588 W CB 0.308 29.898 29.460 0.215 0.000 1.085 588 W HN -0.028 nan 8.180 nan 0.000 0.596 589 M N 0.791 120.577 119.600 0.310 0.000 2.188 589 M HA 0.379 4.863 4.480 0.007 0.000 0.357 589 M C 0.602 176.578 176.300 -0.540 0.000 1.204 589 M CA -0.341 54.975 55.300 0.027 0.000 1.095 589 M CB 1.371 33.991 32.600 0.032 0.000 1.604 589 M HN -0.254 nan 8.290 nan 0.000 0.464 590 A N 5.098 127.415 122.820 -0.839 0.000 2.567 590 A HA 0.151 4.475 4.320 0.007 0.000 0.240 590 A C -1.798 175.234 177.584 -0.919 0.000 1.053 590 A CA -0.935 50.288 52.037 -1.357 0.000 0.755 590 A CB -0.550 18.087 19.000 -0.604 0.000 0.978 590 A HN 0.635 nan 8.150 nan 0.000 0.507 591 P HA -0.222 nan 4.420 nan 0.000 0.216 591 P C 1.437 178.458 177.300 -0.465 0.000 1.150 591 P CA 1.605 64.319 63.100 -0.644 0.000 0.837 591 P CB 0.097 31.377 31.700 -0.701 0.000 0.786 592 E N -0.108 119.832 120.200 -0.434 0.000 2.204 592 E HA -0.132 4.222 4.350 0.007 0.000 0.195 592 E C 1.587 178.030 176.600 -0.261 0.000 0.990 592 E CA 1.476 57.759 56.400 -0.195 0.000 0.821 592 E CB -1.246 28.376 29.700 -0.131 0.000 0.750 592 E HN 0.180 nan 8.360 nan 0.000 0.477 593 S N 1.484 116.913 115.700 -0.451 0.000 2.356 593 S HA -0.048 4.426 4.470 0.007 0.000 0.223 593 S C 2.206 176.588 174.600 -0.364 0.000 1.032 593 S CA 1.320 59.131 58.200 -0.648 0.000 1.005 593 S CB -0.319 62.373 63.200 -0.845 0.000 0.867 593 S HN 0.276 nan 8.310 nan 0.000 0.449 594 I N 2.103 122.493 120.570 -0.300 0.000 2.252 594 I HA -0.178 3.996 4.170 0.007 0.000 0.245 594 I C 2.104 178.082 176.117 -0.231 0.000 1.102 594 I CA 0.928 62.105 61.300 -0.205 0.000 1.385 594 I CB -0.489 37.390 38.000 -0.201 0.000 1.064 594 I HN 0.259 nan 8.210 nan 0.000 0.414 595 N N 0.793 119.274 118.700 -0.365 0.000 2.148 595 N HA -0.054 4.691 4.740 0.007 0.000 0.186 595 N C 1.385 176.449 175.510 -0.743 0.000 1.031 595 N CA 1.548 54.205 53.050 -0.655 0.000 0.848 595 N CB -0.130 37.695 38.487 -1.103 0.000 1.005 595 N HN 0.287 nan 8.380 nan 0.000 0.427 596 F N -0.050 119.736 119.950 -0.272 0.000 2.706 596 F HA 0.407 4.938 4.527 0.006 0.000 0.313 596 F C 0.348 176.127 175.800 -0.034 0.000 1.096 596 F CA -0.390 57.360 58.000 -0.417 0.000 1.219 596 F CB 0.309 38.989 39.000 -0.534 0.000 1.051 596 F HN -0.250 nan 8.300 nan 0.000 0.568 597 R N 0.473 121.016 120.500 0.072 0.000 3.770 597 R HA -0.161 4.183 4.340 0.007 0.000 0.305 597 R C -0.479 175.860 176.300 0.065 0.000 1.184 597 R CA 0.212 56.372 56.100 0.100 0.000 0.823 597 R CB -1.632 28.835 30.300 0.278 0.000 1.285 597 R HN 0.082 nan 8.270 nan 0.000 0.499 598 R N 0.514 120.952 120.500 -0.103 0.000 2.404 598 R HA 0.396 4.740 4.340 0.007 0.000 0.291 598 R C -0.297 175.810 176.300 -0.322 0.000 1.025 598 R CA -0.118 55.945 56.100 -0.062 0.000 0.991 598 R CB 0.463 30.740 30.300 -0.040 0.000 1.053 598 R HN -0.043 nan 8.270 nan 0.000 0.479 599 F N 0.502 120.476 119.950 0.040 0.000 2.539 599 F HA 0.276 4.807 4.527 0.007 0.000 0.328 599 F C 0.700 176.523 175.800 0.039 0.000 1.148 599 F CA -0.478 57.546 58.000 0.040 0.000 0.940 599 F CB 1.965 40.987 39.000 0.037 0.000 1.194 599 F HN 0.478 nan 8.300 nan 0.000 0.438 600 T N -2.073 112.590 114.554 0.182 0.000 2.773 600 T HA 0.329 4.683 4.350 0.007 0.000 0.278 600 T C 0.950 175.758 174.700 0.180 0.000 1.011 600 T CA -0.585 61.600 62.100 0.142 0.000 1.014 600 T CB 1.460 70.379 68.868 0.086 0.000 1.293 600 T HN 0.200 nan 8.240 nan 0.000 0.554 601 S N -0.037 115.766 115.700 0.171 0.000 2.419 601 S HA -0.027 4.447 4.470 0.007 0.000 0.235 601 S C 2.263 177.006 174.600 0.238 0.000 1.019 601 S CA 1.231 59.582 58.200 0.252 0.000 0.982 601 S CB -0.958 62.379 63.200 0.228 0.000 0.789 601 S HN 0.828 nan 8.310 nan 0.000 0.490 602 A N 1.551 124.456 122.820 0.141 0.000 1.897 602 A HA -0.058 4.266 4.320 0.007 0.000 0.215 602 A C 2.318 180.004 177.584 0.169 0.000 1.181 602 A CA 1.715 53.811 52.037 0.098 0.000 0.620 602 A CB -0.860 18.178 19.000 0.063 0.000 0.821 602 A HN 0.614 nan 8.150 nan 0.000 0.443 603 S N 0.290 116.093 115.700 0.172 0.000 2.399 603 S HA -0.177 4.297 4.470 0.007 0.000 0.231 603 S C 1.356 176.173 174.600 0.363 0.000 1.022 603 S CA 1.452 59.777 58.200 0.208 0.000 0.983 603 S CB -0.499 62.741 63.200 0.066 0.000 0.803 603 S HN 0.470 nan 8.310 nan 0.000 0.480 604 D N 1.694 122.323 120.400 0.383 0.000 2.117 604 D HA -0.029 4.615 4.640 0.007 0.000 0.197 604 D C 2.088 178.749 176.300 0.600 0.000 0.987 604 D CA 0.993 55.299 54.000 0.509 0.000 0.829 604 D CB -0.580 40.533 40.800 0.522 0.000 0.961 604 D HN 0.323 nan 8.370 nan 0.000 0.460 605 V N 0.908 121.009 119.914 0.311 0.000 2.287 605 V HA -0.224 3.900 4.120 0.007 0.000 0.248 605 V C 2.181 178.436 176.094 0.268 0.000 1.053 605 V CA 1.493 63.787 62.300 -0.010 0.000 1.027 605 V CB -0.621 30.984 31.823 -0.363 0.000 0.646 605 V HN 0.405 nan 8.190 nan 0.000 0.447 606 W N 0.717 122.121 121.300 0.173 0.000 2.301 606 W HA -0.285 4.379 4.660 0.007 0.000 0.325 606 W C 2.404 179.164 176.519 0.402 0.000 1.250 606 W CA 2.547 60.065 57.345 0.288 0.000 1.261 606 W CB -0.585 29.010 29.460 0.226 0.000 1.157 606 W HN 0.244 nan 8.180 nan 0.000 0.473 607 M N -0.803 119.270 119.600 0.789 0.000 2.213 607 M HA -0.201 4.283 4.480 0.007 0.000 0.263 607 M C 2.267 178.905 176.300 0.564 0.000 1.062 607 M CA 1.797 57.525 55.300 0.713 0.000 1.105 607 M CB -0.974 31.989 32.600 0.606 0.000 1.385 607 M HN -0.019 nan 8.290 nan 0.000 0.417 608 F N 0.912 121.079 119.950 0.362 0.000 2.171 608 F HA -0.084 4.448 4.527 0.008 0.000 0.300 608 F C 2.132 178.057 175.800 0.208 0.000 1.090 608 F CA 1.381 59.551 58.000 0.284 0.000 1.293 608 F CB -0.353 38.853 39.000 0.344 0.000 1.013 608 F HN 0.087 nan 8.300 nan 0.000 0.486 609 G N 0.369 109.233 108.800 0.106 0.000 2.514 609 G HA2 -0.297 3.667 3.960 0.007 0.000 0.217 609 G HA3 -0.297 3.667 3.960 0.007 0.000 0.217 609 G C 1.654 176.715 174.900 0.269 0.000 1.198 609 G CA 1.482 46.509 45.100 -0.123 0.000 0.780 609 G HN 0.303 nan 8.290 nan 0.000 0.565 610 V N 0.090 120.281 119.914 0.463 0.000 2.392 610 V HA -0.243 3.881 4.120 0.007 0.000 0.249 610 V C 2.942 179.192 176.094 0.260 0.000 1.059 610 V CA 1.730 64.177 62.300 0.245 0.000 1.051 610 V CB -0.817 31.012 31.823 0.011 0.000 0.658 610 V HN 0.607 nan 8.190 nan 0.000 0.455 611 C N -0.350 119.095 119.300 0.241 0.000 2.446 611 C HA -0.163 4.301 4.460 0.007 0.000 0.277 611 C C 2.836 177.854 174.990 0.047 0.000 1.275 611 C CA 1.408 60.548 59.018 0.202 0.000 1.727 611 C CB -0.798 27.063 27.740 0.201 0.000 2.010 611 C HN 0.563 nan 8.230 nan 0.000 0.486 612 M N -0.994 118.491 119.600 -0.192 0.000 2.082 612 M HA -0.211 4.273 4.480 0.007 0.000 0.258 612 M C 2.061 178.376 176.300 0.025 0.000 1.069 612 M CA 2.535 57.723 55.300 -0.186 0.000 1.102 612 M CB -0.695 31.690 32.600 -0.358 0.000 1.336 612 M HN 0.728 nan 8.290 nan 0.000 0.404 613 W N 1.571 122.856 121.300 -0.025 0.000 2.315 613 W HA -0.264 4.398 4.660 0.003 0.000 0.323 613 W C 2.145 178.650 176.519 -0.024 0.000 1.233 613 W CA 2.172 59.535 57.345 0.030 0.000 1.267 613 W CB -0.321 29.200 29.460 0.102 0.000 1.160 613 W HN 0.209 nan 8.180 nan 0.000 0.474 614 E N -0.063 120.432 120.200 0.492 0.000 2.086 614 E HA -0.339 4.015 4.350 0.007 0.000 0.205 614 E C 2.042 178.672 176.600 0.049 0.000 1.027 614 E CA 2.497 59.091 56.400 0.324 0.000 0.830 614 E CB -0.721 29.191 29.700 0.354 0.000 0.751 614 E HN 0.408 nan 8.360 nan 0.000 0.456 615 I N 0.679 121.270 120.570 0.035 0.000 2.163 615 I HA -0.271 3.903 4.170 0.007 0.000 0.243 615 I C 2.294 178.292 176.117 -0.199 0.000 1.085 615 I CA 0.696 61.983 61.300 -0.023 0.000 1.347 615 I CB -0.205 37.816 38.000 0.035 0.000 1.044 615 I HN 0.202 nan 8.210 nan 0.000 0.408 616 L N -0.053 121.017 121.223 -0.255 0.000 2.291 616 L HA -0.068 4.276 4.340 0.007 0.000 0.214 616 L C 1.932 178.484 176.870 -0.530 0.000 1.120 616 L CA 1.413 56.025 54.840 -0.380 0.000 0.799 616 L CB -0.560 41.314 42.059 -0.308 0.000 0.925 616 L HN 0.341 nan 8.230 nan 0.000 0.446 617 M N -0.904 118.339 119.600 -0.594 0.000 2.571 617 M HA 0.100 4.584 4.480 0.007 0.000 0.235 617 M C -0.103 176.069 176.300 -0.213 0.000 1.216 617 M CA -0.054 54.909 55.300 -0.562 0.000 0.979 617 M CB -0.820 31.145 32.600 -1.057 0.000 1.616 617 M HN 0.213 nan 8.290 nan 0.000 0.469 618 H N 0.376 119.340 119.070 -0.177 0.000 2.592 618 H HA -0.173 4.386 4.556 0.006 0.000 0.323 618 H C 1.245 176.540 175.328 -0.055 0.000 1.117 618 H CA 0.853 56.837 56.048 -0.108 0.000 1.120 618 H CB -1.878 27.779 29.762 -0.174 0.000 1.561 618 H HN 0.771 nan 8.280 nan 0.000 0.409 619 G N -0.468 108.374 108.800 0.070 0.000 2.179 619 G HA2 -0.320 3.644 3.960 0.007 0.000 0.257 619 G HA3 -0.320 3.644 3.960 0.007 0.000 0.257 619 G C 0.486 175.467 174.900 0.136 0.000 1.010 619 G CA 0.342 45.513 45.100 0.119 0.000 0.736 619 G HN 0.520 nan 8.290 nan 0.000 0.513 620 V N 0.263 120.250 119.914 0.121 0.000 2.775 620 V HA 0.264 4.388 4.120 0.007 0.000 0.299 620 V C 1.126 177.406 176.094 0.310 0.000 1.062 620 V CA -0.173 62.234 62.300 0.178 0.000 1.063 620 V CB 1.442 33.343 31.823 0.130 0.000 0.994 620 V HN 0.342 nan 8.190 nan 0.000 0.483 621 K N 5.752 126.291 120.400 0.233 0.000 2.322 621 K HA 0.261 4.585 4.320 0.007 0.000 0.283 621 K C -2.328 174.218 176.600 -0.089 0.000 1.042 621 K CA -1.373 55.005 56.287 0.150 0.000 0.958 621 K CB 0.697 33.302 32.500 0.174 0.000 0.984 621 K HN 0.452 nan 8.250 nan 0.000 0.473 622 P HA -0.081 nan 4.420 nan 0.000 0.265 622 P C -0.556 176.306 177.300 -0.731 0.000 1.193 622 P CA 0.346 62.738 63.100 -1.179 0.000 0.765 622 P CB 0.048 30.853 31.700 -1.493 0.000 0.823 623 F N -1.206 118.494 119.950 -0.418 0.000 3.058 623 F HA -0.213 4.317 4.527 0.005 0.000 0.295 623 F C 0.997 176.724 175.800 -0.121 0.000 0.875 623 F CA 0.146 57.999 58.000 -0.244 0.000 1.150 623 F CB -2.214 36.633 39.000 -0.256 0.000 1.175 623 F HN 0.378 nan 8.300 nan 0.000 0.599 624 Q N 0.899 120.722 119.800 0.039 0.000 2.310 624 Q HA 0.200 4.544 4.340 0.007 0.000 0.315 624 Q C 1.423 177.467 176.000 0.074 0.000 1.081 624 Q CA 1.068 56.913 55.803 0.069 0.000 0.981 624 Q CB 0.565 29.347 28.738 0.073 0.000 1.184 624 Q HN 0.712 nan 8.270 nan 0.000 0.389 625 G N 1.529 110.369 108.800 0.068 0.000 2.233 625 G HA2 -0.265 3.699 3.960 0.007 0.000 0.270 625 G HA3 -0.265 3.699 3.960 0.007 0.000 0.270 625 G C -0.040 174.888 174.900 0.046 0.000 1.011 625 G CA 0.336 45.468 45.100 0.053 0.000 0.762 625 G HN 0.416 nan 8.290 nan 0.000 0.511 626 V N 0.145 120.091 119.914 0.054 0.000 2.417 626 V HA 0.396 4.520 4.120 0.007 0.000 0.291 626 V C 0.740 176.825 176.094 -0.014 0.000 1.024 626 V CA -1.090 61.221 62.300 0.019 0.000 0.861 626 V CB 1.714 33.554 31.823 0.029 0.000 0.985 626 V HN 0.327 nan 8.190 nan 0.000 0.436 627 K N 2.721 123.103 120.400 -0.031 0.000 2.319 627 K HA 0.167 4.491 4.320 0.007 0.000 0.265 627 K C 0.707 177.264 176.600 -0.072 0.000 1.000 627 K CA -0.306 55.961 56.287 -0.034 0.000 0.943 627 K CB 0.460 32.944 32.500 -0.027 0.000 0.950 627 K HN 0.508 nan 8.250 nan 0.000 0.485 628 N N 1.315 119.984 118.700 -0.053 0.000 2.396 628 N HA -0.079 4.665 4.740 0.007 0.000 0.180 628 N C 0.548 176.001 175.510 -0.095 0.000 1.028 628 N CA 0.928 53.936 53.050 -0.070 0.000 0.893 628 N CB 0.001 38.474 38.487 -0.024 0.000 0.967 628 N HN 0.416 nan 8.380 nan 0.000 0.440 629 N N 0.204 118.857 118.700 -0.078 0.000 2.353 629 N HA 0.005 4.749 4.740 0.007 0.000 0.185 629 N C 0.535 175.986 175.510 -0.098 0.000 1.098 629 N CA 0.277 53.279 53.050 -0.080 0.000 0.872 629 N CB 0.216 38.671 38.487 -0.053 0.000 0.970 629 N HN 0.159 nan 8.380 nan 0.000 0.467 630 D N -0.008 120.326 120.400 -0.110 0.000 2.103 630 D HA -0.036 4.608 4.640 0.007 0.000 0.199 630 D C 1.966 178.144 176.300 -0.203 0.000 0.978 630 D CA 0.618 54.544 54.000 -0.124 0.000 0.829 630 D CB -0.213 40.526 40.800 -0.101 0.000 0.981 630 D HN -0.056 nan 8.370 nan 0.000 0.464 631 V N 2.532 122.260 119.914 -0.310 0.000 2.287 631 V HA -0.252 3.873 4.120 0.007 0.000 0.248 631 V C 2.638 178.518 176.094 -0.357 0.000 1.053 631 V CA 1.701 63.679 62.300 -0.537 0.000 1.027 631 V CB -0.734 30.638 31.823 -0.752 0.000 0.646 631 V HN 0.294 nan 8.190 nan 0.000 0.447 632 I N -0.119 120.312 120.570 -0.230 0.000 2.194 632 I HA -0.141 4.034 4.170 0.007 0.000 0.246 632 I C 2.293 178.344 176.117 -0.110 0.000 1.093 632 I CA 2.378 63.585 61.300 -0.155 0.000 1.355 632 I CB -1.138 36.792 38.000 -0.116 0.000 1.046 632 I HN 0.231 nan 8.210 nan 0.000 0.413 633 G N 0.607 109.344 108.800 -0.105 0.000 2.395 633 G HA2 -0.094 3.870 3.960 0.007 0.000 0.214 633 G HA3 -0.094 3.870 3.960 0.007 0.000 0.214 633 G C 1.737 176.600 174.900 -0.062 0.000 1.177 633 G CA 0.486 45.546 45.100 -0.068 0.000 0.794 633 G HN 0.333 nan 8.290 nan 0.000 0.532 634 R N 0.008 120.451 120.500 -0.096 0.000 2.136 634 R HA -0.130 4.214 4.340 0.007 0.000 0.242 634 R C 2.526 178.807 176.300 -0.032 0.000 1.131 634 R CA 1.803 57.858 56.100 -0.076 0.000 0.937 634 R CB -0.590 29.629 30.300 -0.135 0.000 0.863 634 R HN 0.349 nan 8.270 nan 0.000 0.435 635 I N 0.257 120.801 120.570 -0.044 0.000 2.252 635 I HA -0.202 3.972 4.170 0.007 0.000 0.245 635 I C 2.345 178.530 176.117 0.112 0.000 1.102 635 I CA 1.149 62.486 61.300 0.062 0.000 1.385 635 I CB -0.505 37.536 38.000 0.070 0.000 1.064 635 I HN 0.185 nan 8.210 nan 0.000 0.414 636 E N 1.692 121.930 120.200 0.062 0.000 2.160 636 E HA -0.214 4.141 4.350 0.007 0.000 0.195 636 E C 1.709 178.302 176.600 -0.011 0.000 0.991 636 E CA 1.711 58.148 56.400 0.062 0.000 0.810 636 E CB -0.165 29.548 29.700 0.021 0.000 0.742 636 E HN 0.474 nan 8.360 nan 0.000 0.466 637 N N -2.004 116.692 118.700 -0.006 0.000 2.148 637 N HA 0.080 4.824 4.740 0.007 0.000 0.186 637 N C 1.187 176.695 175.510 -0.003 0.000 1.031 637 N CA 1.517 54.557 53.050 -0.017 0.000 0.848 637 N CB 0.190 38.670 38.487 -0.012 0.000 1.005 637 N HN 0.269 nan 8.380 nan 0.000 0.427 638 G N -1.091 107.728 108.800 0.033 0.000 4.248 638 G HA2 -0.086 3.878 3.960 0.007 0.000 0.218 638 G HA3 -0.086 3.878 3.960 0.007 0.000 0.218 638 G C -0.524 174.425 174.900 0.083 0.000 0.790 638 G CA -0.513 44.622 45.100 0.059 0.000 0.844 638 G HN 0.082 nan 8.290 nan 0.000 0.588 639 E N 1.177 121.417 120.200 0.067 0.000 2.467 639 E HA 0.509 4.863 4.350 0.007 0.000 0.264 639 E C 0.538 177.187 176.600 0.082 0.000 1.020 639 E CA 0.730 57.173 56.400 0.072 0.000 0.945 639 E CB 0.417 30.149 29.700 0.053 0.000 0.942 639 E HN 0.191 nan 8.360 nan 0.000 0.449 640 R N 1.393 121.937 120.500 0.074 0.000 2.739 640 R HA 0.363 4.707 4.340 0.007 0.000 0.271 640 R C -0.936 175.337 176.300 -0.045 0.000 1.010 640 R CA -1.053 55.039 56.100 -0.013 0.000 0.897 640 R CB 0.601 30.975 30.300 0.123 0.000 1.236 640 R HN 0.412 nan 8.270 nan 0.000 0.466 641 L N 4.237 125.254 121.223 -0.343 0.000 2.490 641 L HA 0.125 4.469 4.340 0.007 0.000 0.274 641 L C -1.564 175.457 176.870 0.251 0.000 1.201 641 L CA -0.742 53.899 54.840 -0.331 0.000 0.869 641 L CB 0.145 41.532 42.059 -1.120 0.000 1.123 641 L HN 0.275 nan 8.230 nan 0.000 0.484 642 P HA -0.110 nan 4.420 nan 0.000 0.268 642 P C -0.438 176.928 177.300 0.110 0.000 1.208 642 P CA -0.284 62.931 63.100 0.192 0.000 0.777 642 P CB 0.525 32.308 31.700 0.139 0.000 0.875 643 M N 4.166 123.506 119.600 -0.434 0.000 2.307 643 M HA 0.119 4.604 4.480 0.007 0.000 0.346 643 M C -1.897 174.226 176.300 -0.295 0.000 1.552 643 M CA -1.617 53.221 55.300 -0.770 0.000 1.116 643 M CB 0.023 32.034 32.600 -0.981 0.000 1.889 643 M HN 0.182 nan 8.290 nan 0.000 0.460 644 P HA 0.146 nan 4.420 nan 0.000 0.266 644 P C -2.687 174.493 177.300 -0.200 0.000 1.195 644 P CA -0.907 62.021 63.100 -0.287 0.000 0.768 644 P CB -0.728 30.698 31.700 -0.457 0.000 0.838 645 P HA -0.052 nan 4.420 nan 0.000 0.260 645 P C 0.379 177.630 177.300 -0.082 0.000 1.185 645 P CA 0.772 63.815 63.100 -0.096 0.000 0.763 645 P CB -0.215 31.446 31.700 -0.066 0.000 0.776 646 N N -0.751 117.910 118.700 -0.066 0.000 2.800 646 N HA -0.179 4.565 4.740 0.007 0.000 0.250 646 N C -0.224 175.248 175.510 -0.063 0.000 1.078 646 N CA 0.555 53.576 53.050 -0.049 0.000 0.804 646 N CB -1.638 36.836 38.487 -0.022 0.000 1.135 646 N HN 0.454 nan 8.380 nan 0.000 0.565 647 C N 2.195 121.443 119.300 -0.087 0.000 2.499 647 C HA 0.383 4.848 4.460 0.007 0.000 0.386 647 C C -1.667 173.296 174.990 -0.045 0.000 1.293 647 C CA -1.292 57.681 59.018 -0.076 0.000 1.884 647 C CB -0.151 27.535 27.740 -0.090 0.000 2.509 647 C HN 0.182 nan 8.230 nan 0.000 0.566 648 P HA 0.128 nan 4.420 nan 0.000 0.268 648 P C -1.883 175.426 177.300 0.015 0.000 1.208 648 P CA -0.793 62.300 63.100 -0.012 0.000 0.777 648 P CB 0.223 31.915 31.700 -0.013 0.000 0.875 649 P HA -0.105 nan 4.420 nan 0.000 0.225 649 P C 0.874 178.215 177.300 0.069 0.000 1.156 649 P CA 1.397 64.531 63.100 0.056 0.000 0.787 649 P CB -0.293 31.427 31.700 0.035 0.000 0.802 650 T N 0.680 115.252 114.554 0.030 0.000 2.777 650 T HA -0.123 4.231 4.350 0.007 0.000 0.266 650 T C 1.778 176.475 174.700 -0.004 0.000 1.040 650 T CA 0.917 63.023 62.100 0.009 0.000 1.141 650 T CB -0.819 68.047 68.868 -0.003 0.000 0.868 650 T HN 0.018 nan 8.240 nan 0.000 0.444 651 L N 0.144 121.372 121.223 0.007 0.000 2.072 651 L HA 0.096 4.440 4.340 0.007 0.000 0.205 651 L C 2.170 179.020 176.870 -0.033 0.000 1.079 651 L CA 1.475 56.303 54.840 -0.020 0.000 0.752 651 L CB -0.957 41.095 42.059 -0.013 0.000 0.906 651 L HN 0.224 nan 8.230 nan 0.000 0.436 652 Y N -0.488 119.757 120.300 -0.091 0.000 2.224 652 Y HA -0.233 4.320 4.550 0.005 0.000 0.289 652 Y C 2.941 178.769 175.900 -0.120 0.000 1.146 652 Y CA 1.668 59.714 58.100 -0.090 0.000 1.182 652 Y CB -0.533 37.910 38.460 -0.029 0.000 0.983 652 Y HN 0.386 nan 8.280 nan 0.000 0.524 653 S N -0.462 115.183 115.700 -0.091 0.000 2.368 653 S HA -0.184 4.290 4.470 0.007 0.000 0.225 653 S C 2.062 176.509 174.600 -0.254 0.000 1.030 653 S CA 1.444 59.551 58.200 -0.156 0.000 0.999 653 S CB -0.719 62.452 63.200 -0.048 0.000 0.844 653 S HN 0.429 nan 8.310 nan 0.000 0.459 654 L N 1.430 122.523 121.223 -0.217 0.000 2.093 654 L HA 0.126 4.470 4.340 0.007 0.000 0.208 654 L C 2.393 179.015 176.870 -0.414 0.000 1.085 654 L CA 1.812 56.511 54.840 -0.235 0.000 0.755 654 L CB -0.752 41.225 42.059 -0.137 0.000 0.904 654 L HN 0.420 nan 8.230 nan 0.000 0.435 655 M N -1.314 117.936 119.600 -0.583 0.000 2.117 655 M HA -0.186 4.298 4.480 0.007 0.000 0.262 655 M C 2.002 177.439 176.300 -1.438 0.000 1.065 655 M CA 2.239 56.901 55.300 -1.063 0.000 1.114 655 M CB -0.808 31.131 32.600 -1.102 0.000 1.361 655 M HN 0.451 nan 8.290 nan 0.000 0.408 656 T N -1.656 112.304 114.554 -0.990 0.000 2.951 656 T HA -0.041 4.313 4.350 0.007 0.000 0.268 656 T C 1.682 176.141 174.700 -0.403 0.000 1.073 656 T CA 0.807 62.523 62.100 -0.640 0.000 1.134 656 T CB -0.235 68.375 68.868 -0.430 0.000 0.884 656 T HN 0.343 nan 8.240 nan 0.000 0.479 657 K N 0.426 120.595 120.400 -0.384 0.000 2.026 657 K HA -0.033 4.291 4.320 0.007 0.000 0.208 657 K C 2.549 178.998 176.600 -0.251 0.000 1.048 657 K CA 1.552 57.697 56.287 -0.237 0.000 0.929 657 K CB -0.580 31.803 32.500 -0.195 0.000 0.713 657 K HN 0.402 nan 8.250 nan 0.000 0.439 658 C N -0.197 118.841 119.300 -0.438 0.000 2.410 658 C HA -0.105 4.359 4.460 0.007 0.000 0.281 658 C C 1.484 176.290 174.990 -0.308 0.000 1.318 658 C CA 0.105 58.883 59.018 -0.400 0.000 1.776 658 C CB -0.872 26.523 27.740 -0.575 0.000 1.942 658 C HN 0.568 nan 8.230 nan 0.000 0.508 659 W N 1.064 122.131 121.300 -0.388 0.000 3.305 659 W HA 0.532 5.194 4.660 0.003 0.000 0.392 659 W C 0.841 177.320 176.519 -0.065 0.000 1.121 659 W CA -1.250 55.729 57.345 -0.609 0.000 1.909 659 W CB -1.247 27.711 29.460 -0.838 0.000 1.065 659 W HN 0.219 nan 8.180 nan 0.000 0.714 660 A N 0.782 123.713 122.820 0.184 0.000 2.545 660 A HA -0.074 4.250 4.320 0.007 0.000 0.253 660 A C 0.949 178.770 177.584 0.396 0.000 1.074 660 A CA 0.038 52.216 52.037 0.236 0.000 0.760 660 A CB -0.089 18.989 19.000 0.131 0.000 1.005 660 A HN 0.399 nan 8.150 nan 0.000 0.506 661 Y N 2.618 123.094 120.300 0.294 0.000 2.040 661 Y HA -0.217 4.337 4.550 0.007 0.000 0.275 661 Y C 1.277 177.277 175.900 0.168 0.000 1.171 661 Y CA 2.476 60.733 58.100 0.261 0.000 1.123 661 Y CB 0.094 38.650 38.460 0.159 0.000 0.963 661 Y HN 0.715 nan 8.280 nan 0.000 0.493 662 D N 1.109 121.714 120.400 0.342 0.000 2.346 662 D HA 0.017 4.661 4.640 0.007 0.000 0.260 662 D C -1.711 174.657 176.300 0.113 0.000 1.252 662 D CA -2.074 52.044 54.000 0.197 0.000 0.895 662 D CB 1.011 41.922 40.800 0.185 0.000 1.097 662 D HN 0.110 nan 8.370 nan 0.000 0.489 663 P HA -0.259 nan 4.420 nan 0.000 0.217 663 P C 1.278 178.605 177.300 0.045 0.000 1.162 663 P CA 1.718 64.845 63.100 0.045 0.000 0.901 663 P CB -0.182 31.519 31.700 0.002 0.000 0.793 664 S N -1.128 114.594 115.700 0.037 0.000 2.500 664 S HA -0.074 4.401 4.470 0.007 0.000 0.239 664 S C 1.858 176.475 174.600 0.029 0.000 0.989 664 S CA 0.631 58.848 58.200 0.028 0.000 0.951 664 S CB -0.814 62.401 63.200 0.025 0.000 0.759 664 S HN 0.132 nan 8.310 nan 0.000 0.523 665 R N 0.405 120.931 120.500 0.043 0.000 2.300 665 R HA 0.290 4.634 4.340 0.007 0.000 0.199 665 R C 0.489 176.800 176.300 0.017 0.000 0.920 665 R CA -0.078 56.043 56.100 0.035 0.000 1.046 665 R CB 0.250 30.584 30.300 0.056 0.000 0.984 665 R HN 0.380 nan 8.270 nan 0.000 0.493 666 R N 1.310 121.819 120.500 0.016 0.000 2.560 666 R HA 0.209 4.553 4.340 0.007 0.000 0.270 666 R C -2.190 174.075 176.300 -0.058 0.000 1.074 666 R CA -1.711 54.377 56.100 -0.020 0.000 1.140 666 R CB 0.117 30.420 30.300 0.005 0.000 1.073 666 R HN -0.055 nan 8.270 nan 0.000 0.527 667 P HA 0.156 nan 4.420 nan 0.000 0.276 667 P C -0.789 176.413 177.300 -0.164 0.000 1.252 667 P CA -0.428 62.609 63.100 -0.105 0.000 0.802 667 P CB 0.692 32.330 31.700 -0.103 0.000 1.035 668 R N 0.299 120.728 120.500 -0.118 0.000 2.560 668 R HA 0.254 4.598 4.340 0.007 0.000 0.270 668 R C 1.332 177.542 176.300 -0.150 0.000 1.074 668 R CA -0.540 55.487 56.100 -0.121 0.000 1.140 668 R CB -0.562 29.731 30.300 -0.011 0.000 1.073 668 R HN 0.445 nan 8.270 nan 0.000 0.527 669 F N 0.206 120.132 119.950 -0.039 0.000 2.171 669 F HA -0.214 4.318 4.527 0.008 0.000 0.300 669 F C 2.614 178.374 175.800 -0.066 0.000 1.090 669 F CA 1.860 59.804 58.000 -0.094 0.000 1.293 669 F CB -0.508 38.401 39.000 -0.152 0.000 1.013 669 F HN 0.536 nan 8.300 nan 0.000 0.486 670 T N -0.790 113.847 114.554 0.138 0.000 2.803 670 T HA -0.264 4.090 4.350 0.007 0.000 0.269 670 T C 1.972 176.710 174.700 0.063 0.000 1.052 670 T CA 1.885 64.037 62.100 0.086 0.000 1.136 670 T CB -0.211 68.699 68.868 0.070 0.000 0.864 670 T HN 0.290 nan 8.240 nan 0.000 0.467 671 E N 0.318 120.540 120.200 0.036 0.000 2.112 671 E HA 0.060 4.414 4.350 0.007 0.000 0.190 671 E C 2.089 178.707 176.600 0.031 0.000 0.979 671 E CA 0.960 57.374 56.400 0.023 0.000 0.814 671 E CB -0.658 29.039 29.700 -0.004 0.000 0.762 671 E HN 0.592 nan 8.360 nan 0.000 0.460 672 L N 0.629 121.867 121.223 0.025 0.000 2.093 672 L HA -0.075 4.269 4.340 0.007 0.000 0.208 672 L C 2.671 179.616 176.870 0.125 0.000 1.085 672 L CA 1.509 56.389 54.840 0.066 0.000 0.755 672 L CB -0.509 41.595 42.059 0.074 0.000 0.904 672 L HN 0.134 nan 8.230 nan 0.000 0.435 673 K N 0.636 121.102 120.400 0.111 0.000 2.020 673 K HA -0.274 4.050 4.320 0.007 0.000 0.212 673 K C 2.133 178.866 176.600 0.221 0.000 1.050 673 K CA 1.833 58.202 56.287 0.136 0.000 0.929 673 K CB -0.216 32.325 32.500 0.069 0.000 0.714 673 K HN 0.267 nan 8.250 nan 0.000 0.443 674 A N 1.116 124.023 122.820 0.145 0.000 1.902 674 A HA -0.203 4.121 4.320 0.007 0.000 0.217 674 A C 2.152 179.796 177.584 0.100 0.000 1.181 674 A CA 1.515 53.625 52.037 0.121 0.000 0.623 674 A CB -0.562 18.485 19.000 0.078 0.000 0.818 674 A HN 0.455 nan 8.150 nan 0.000 0.443 675 Q N -0.389 119.461 119.800 0.083 0.000 2.030 675 Q HA -0.140 4.204 4.340 0.007 0.000 0.204 675 Q C 2.244 178.290 176.000 0.076 0.000 0.986 675 Q CA 1.531 57.370 55.803 0.060 0.000 0.843 675 Q CB -0.480 28.281 28.738 0.038 0.000 0.904 675 Q HN 0.712 nan 8.270 nan 0.000 0.420 676 L N 0.309 121.617 121.223 0.142 0.000 2.046 676 L HA -0.176 4.168 4.340 0.007 0.000 0.208 676 L C 2.712 179.633 176.870 0.086 0.000 1.077 676 L CA 1.017 55.954 54.840 0.162 0.000 0.747 676 L CB -0.567 41.669 42.059 0.296 0.000 0.896 676 L HN 0.181 nan 8.230 nan 0.000 0.432 677 S N -0.447 115.318 115.700 0.107 0.000 2.369 677 S HA -0.303 4.171 4.470 0.007 0.000 0.225 677 S C 2.166 176.695 174.600 -0.119 0.000 1.043 677 S CA 2.557 60.663 58.200 -0.157 0.000 1.074 677 S CB -0.392 62.819 63.200 0.018 0.000 0.962 677 S HN 0.665 nan 8.310 nan 0.000 0.433 678 T N -0.396 114.138 114.554 -0.033 0.000 2.942 678 T HA 0.138 4.492 4.350 0.007 0.000 0.265 678 T C 1.850 176.529 174.700 -0.036 0.000 1.062 678 T CA 1.065 63.145 62.100 -0.034 0.000 1.139 678 T CB -0.609 68.253 68.868 -0.010 0.000 0.883 678 T HN 0.476 nan 8.240 nan 0.000 0.468 679 I N 0.591 121.147 120.570 -0.023 0.000 2.454 679 I HA -0.049 4.125 4.170 0.007 0.000 0.254 679 I C 2.347 178.437 176.117 -0.044 0.000 1.156 679 I CA 0.772 62.058 61.300 -0.023 0.000 1.433 679 I CB -0.404 37.592 38.000 -0.007 0.000 1.082 679 I HN 0.259 nan 8.210 nan 0.000 0.432 680 L N 0.850 122.029 121.223 -0.073 0.000 1.973 680 L HA -0.179 4.165 4.340 0.007 0.000 0.208 680 L C 2.524 179.337 176.870 -0.095 0.000 1.073 680 L CA 1.929 56.705 54.840 -0.107 0.000 0.746 680 L CB -0.605 41.332 42.059 -0.204 0.000 0.891 680 L HN 0.057 nan 8.230 nan 0.000 0.433 681 E N 0.079 120.220 120.200 -0.098 0.000 2.049 681 E HA -0.303 4.051 4.350 0.007 0.000 0.198 681 E C 1.997 178.566 176.600 -0.051 0.000 1.007 681 E CA 1.586 57.942 56.400 -0.074 0.000 0.809 681 E CB -0.707 28.954 29.700 -0.065 0.000 0.749 681 E HN 0.670 nan 8.360 nan 0.000 0.450 682 E N 1.538 121.713 120.200 -0.043 0.000 2.065 682 E HA -0.278 4.076 4.350 0.007 0.000 0.201 682 E C 1.963 178.544 176.600 -0.032 0.000 1.016 682 E CA 2.131 58.513 56.400 -0.031 0.000 0.818 682 E CB -0.332 29.352 29.700 -0.025 0.000 0.749 682 E HN 0.158 nan 8.360 nan 0.000 0.453 683 E N 0.122 120.300 120.200 -0.038 0.000 2.338 683 E HA -0.116 4.238 4.350 0.007 0.000 0.197 683 E C 1.595 178.173 176.600 -0.038 0.000 1.007 683 E CA 1.152 57.531 56.400 -0.036 0.000 0.849 683 E CB -0.016 29.660 29.700 -0.041 0.000 0.774 683 E HN 0.331 nan 8.360 nan 0.000 0.506 684 K N -0.436 119.938 120.400 -0.043 0.000 2.098 684 K HA 0.051 4.375 4.320 0.007 0.000 0.203 684 K C 1.917 178.499 176.600 -0.030 0.000 1.051 684 K CA 0.985 57.248 56.287 -0.040 0.000 0.957 684 K CB 0.081 32.552 32.500 -0.048 0.000 0.738 684 K HN 0.241 nan 8.250 nan 0.000 0.447 685 L N 0.484 121.691 121.223 -0.028 0.000 2.354 685 L HA 0.009 4.353 4.340 0.007 0.000 0.212 685 L C 0.072 176.931 176.870 -0.019 0.000 1.091 685 L CA 0.219 55.046 54.840 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