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 2j0k_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 DDYAEIIDEX XXXXXXXTRD YEIQRERIEL GRCIGEGQFG DATA SEQUENCE DVHQGIYMSP ENPAMAVAIK TCKNCTSDSV REKFLQEALT MRQFDHPHIV DATA SEQUENCE KLIGVITENP VWIIMELCTL GELRSFLQVR KFSLDLASLI LYAYQLSTAL DATA SEQUENCE AYLESKRFVH RDIAARNVLV SATDCVKLGD FGLXXXXXXX XXXXXXXXKL 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 0.000 176.289 176.300 -0.019 0.000 0.893 35 R CA 0.000 56.070 56.100 -0.049 0.000 0.921 35 R CB 0.000 30.325 30.300 0.041 0.000 0.687 36 V N -0.261 119.718 119.914 0.109 0.000 3.345 36 V HA 0.927 5.052 4.120 0.008 0.000 0.308 36 V C -1.126 175.039 176.094 0.118 0.000 1.168 36 V CA -0.760 61.628 62.300 0.146 0.000 1.024 36 V CB 1.633 33.492 31.823 0.059 0.000 1.211 36 V HN 0.655 nan 8.190 nan 0.000 0.461 37 L N 0.642 121.873 121.223 0.012 0.000 2.549 37 L HA 0.596 4.941 4.340 0.008 0.000 0.259 37 L C -0.800 176.000 176.870 -0.115 0.000 0.934 37 L CA -0.492 54.263 54.840 -0.141 0.000 0.865 37 L CB 1.999 43.861 42.059 -0.328 0.000 1.352 37 L HN 0.949 nan 8.230 nan 0.000 0.410 38 K N 3.500 123.835 120.400 -0.108 0.000 2.235 38 K HA 0.769 5.094 4.320 0.008 0.000 0.266 38 K C -1.658 174.900 176.600 -0.070 0.000 0.980 38 K CA -0.600 55.619 56.287 -0.113 0.000 0.849 38 K CB 1.417 33.842 32.500 -0.126 0.000 1.098 38 K HN 0.522 nan 8.250 nan 0.000 0.445 39 V N 5.557 125.422 119.914 -0.082 0.000 2.444 39 V HA 0.374 4.499 4.120 0.008 0.000 0.294 39 V C -0.614 175.475 176.094 -0.008 0.000 1.022 39 V CA -0.893 61.449 62.300 0.070 0.000 0.850 39 V CB 0.859 32.760 31.823 0.129 0.000 0.992 39 V HN 0.598 nan 8.190 nan 0.000 0.426 40 F N 5.292 125.283 119.950 0.068 0.000 2.399 40 F HA 0.539 5.071 4.527 0.008 0.000 0.342 40 F C 0.996 176.773 175.800 -0.039 0.000 1.106 40 F CA 0.034 57.989 58.000 -0.076 0.000 1.196 40 F CB 0.622 39.533 39.000 -0.148 0.000 1.163 40 F HN 0.705 nan 8.300 nan 0.000 0.547 41 H N 0.318 119.443 119.070 0.092 0.000 3.038 41 H HA 0.362 4.923 4.556 0.008 0.000 0.289 41 H C -1.528 173.610 175.328 -0.318 0.000 1.510 41 H CA -0.904 55.173 56.048 0.049 0.000 1.227 41 H CB 1.155 31.127 29.762 0.351 0.000 1.880 41 H HN 0.576 nan 8.280 nan 0.000 0.594 42 Y N -0.316 119.885 120.300 -0.165 0.000 2.713 42 Y HA 0.299 4.854 4.550 0.008 0.000 0.269 42 Y C -0.722 174.983 175.900 -0.325 0.000 1.106 42 Y CA -0.553 57.305 58.100 -0.403 0.000 1.174 42 Y CB 0.184 37.986 38.460 -1.097 0.000 1.186 42 Y HN 0.257 nan 8.280 nan 0.000 0.555 43 F N 0.973 121.139 119.950 0.359 0.000 2.411 43 F HA 0.266 4.798 4.527 0.008 0.000 0.350 43 F C 0.905 176.331 175.800 -0.623 0.000 1.114 43 F CA -0.893 57.085 58.000 -0.037 0.000 1.135 43 F CB 0.645 39.483 39.000 -0.271 0.000 1.120 43 F HN 0.050 nan 8.300 nan 0.000 0.495 44 E N 1.963 121.829 120.200 -0.556 0.000 2.422 44 E HA 0.092 4.447 4.350 0.008 0.000 0.260 44 E C -0.704 175.434 176.600 -0.770 0.000 1.108 44 E CA 0.226 55.991 56.400 -1.057 0.000 0.943 44 E CB 0.572 30.031 29.700 -0.401 0.000 0.961 44 E HN 0.581 nan 8.360 nan 0.000 0.443 45 N N -1.405 116.891 118.700 -0.674 0.000 2.815 45 N HA -0.001 4.744 4.740 0.008 0.000 0.253 45 N C -0.409 175.160 175.510 0.099 0.000 1.202 45 N CA -0.166 52.762 53.050 -0.202 0.000 0.925 45 N CB 1.288 39.668 38.487 -0.178 0.000 1.622 45 N HN 0.262 nan 8.380 nan 0.000 0.497 46 S N -0.624 115.138 115.700 0.103 0.000 2.584 46 S HA -0.037 4.437 4.470 0.008 0.000 0.240 46 S C 0.768 175.481 174.600 0.189 0.000 0.975 46 S CA 0.229 58.517 58.200 0.148 0.000 0.949 46 S CB -0.761 62.503 63.200 0.106 0.000 0.761 46 S HN 0.578 nan 8.310 nan 0.000 0.536 47 S N 0.670 116.524 115.700 0.255 0.000 2.634 47 S HA 0.402 4.877 4.470 0.008 0.000 0.261 47 S C -0.186 174.577 174.600 0.271 0.000 1.271 47 S CA -0.774 57.576 58.200 0.250 0.000 0.985 47 S CB 0.363 63.724 63.200 0.268 0.000 0.968 47 S HN 0.314 nan 8.310 nan 0.000 0.568 48 E N 1.193 121.443 120.200 0.083 0.000 2.344 48 E HA 0.279 4.634 4.350 0.008 0.000 0.270 48 E C -1.867 174.487 176.600 -0.410 0.000 1.021 48 E CA -2.079 54.265 56.400 -0.093 0.000 0.887 48 E CB 0.697 30.334 29.700 -0.105 0.000 0.997 48 E HN 0.333 nan 8.360 nan 0.000 0.429 49 P HA -0.214 nan 4.420 nan 0.000 0.217 49 P C 0.881 177.494 177.300 -1.145 0.000 1.151 49 P CA 1.967 64.075 63.100 -1.653 0.000 0.849 49 P CB -0.016 31.029 31.700 -1.091 0.000 0.787 50 T N -4.602 109.593 114.554 -0.597 0.000 3.007 50 T HA -0.063 4.292 4.350 0.008 0.000 0.270 50 T C 0.903 175.496 174.700 -0.178 0.000 1.107 50 T CA 1.353 63.224 62.100 -0.383 0.000 1.118 50 T CB -1.340 67.356 68.868 -0.286 0.000 0.889 50 T HN 0.186 nan 8.240 nan 0.000 0.506 51 T N -0.594 113.871 114.554 -0.148 0.000 3.377 51 T HA 0.400 4.754 4.350 0.008 0.000 0.270 51 T C -1.007 173.746 174.700 0.087 0.000 1.586 51 T CA -0.969 61.169 62.100 0.064 0.000 1.487 51 T CB -0.506 68.401 68.868 0.066 0.000 0.994 51 T HN 0.270 nan 8.240 nan 0.000 0.689 52 W N 1.966 123.204 121.300 -0.104 0.000 2.314 52 W HA 0.788 5.454 4.660 0.009 0.000 0.310 52 W C 0.083 176.256 176.519 -0.577 0.000 1.075 52 W CA -1.526 55.646 57.345 -0.289 0.000 1.253 52 W CB 0.560 29.831 29.460 -0.315 0.000 1.238 52 W HN 0.648 nan 8.180 nan 0.000 0.440 53 A N 2.037 124.668 122.820 -0.316 0.000 2.602 53 A HA 0.852 5.177 4.320 0.008 0.000 0.290 53 A C -1.049 176.552 177.584 0.029 0.000 1.114 53 A CA -0.600 51.213 52.037 -0.372 0.000 0.683 53 A CB 1.592 20.180 19.000 -0.686 0.000 1.281 53 A HN 0.205 nan 8.150 nan 0.000 0.416 54 S N -0.470 115.303 115.700 0.122 0.000 2.536 54 S HA 0.712 5.187 4.470 0.008 0.000 0.298 54 S C -1.070 173.531 174.600 0.002 0.000 1.083 54 S CA -0.273 58.000 58.200 0.122 0.000 0.995 54 S CB 1.125 64.442 63.200 0.195 0.000 1.058 54 S HN 0.489 nan 8.310 nan 0.000 0.488 55 I N 2.635 123.199 120.570 -0.010 0.000 2.355 55 I HA 0.434 4.609 4.170 0.008 0.000 0.288 55 I C -1.032 175.070 176.117 -0.025 0.000 0.999 55 I CA -0.131 61.150 61.300 -0.031 0.000 1.163 55 I CB 1.007 38.990 38.000 -0.028 0.000 1.316 55 I HN 0.393 nan 8.210 nan 0.000 0.454 56 I N 5.920 126.473 120.570 -0.029 0.000 2.362 56 I HA 0.366 4.541 4.170 0.008 0.000 0.289 56 I C 0.496 176.613 176.117 -0.001 0.000 0.994 56 I CA -0.462 60.815 61.300 -0.038 0.000 1.158 56 I CB 1.130 39.100 38.000 -0.050 0.000 1.315 56 I HN 0.336 nan 8.210 nan 0.000 0.451 57 R N 6.106 126.574 120.500 -0.053 0.000 2.609 57 R HA 0.111 4.456 4.340 0.008 0.000 0.271 57 R C 0.070 176.269 176.300 -0.168 0.000 1.403 57 R CA -0.232 55.841 56.100 -0.044 0.000 1.138 57 R CB -0.414 29.894 30.300 0.014 0.000 1.142 57 R HN 0.642 nan 8.270 nan 0.000 0.559 58 H N 0.010 119.009 119.070 -0.118 0.000 2.534 58 H HA 0.421 4.982 4.556 0.008 0.000 0.364 58 H C 0.144 175.504 175.328 0.053 0.000 1.328 58 H CA -0.468 55.516 56.048 -0.106 0.000 1.415 58 H CB 0.745 30.463 29.762 -0.073 0.000 1.573 58 H HN 0.422 nan 8.280 nan 0.000 0.601 59 G N -0.807 108.024 108.800 0.053 0.000 2.705 59 G HA2 0.074 4.039 3.960 0.008 0.000 0.299 59 G HA3 0.074 4.039 3.960 0.008 0.000 0.299 59 G C 0.088 175.021 174.900 0.055 0.000 1.315 59 G CA -0.389 44.752 45.100 0.068 0.000 1.045 59 G HN 0.640 nan 8.290 nan 0.000 0.517 60 D N -0.815 119.612 120.400 0.045 0.000 2.289 60 D HA 0.085 4.730 4.640 0.008 0.000 0.207 60 D C 2.077 178.426 176.300 0.082 0.000 0.966 60 D CA 0.946 54.980 54.000 0.056 0.000 0.868 60 D CB 0.336 41.149 40.800 0.023 0.000 0.943 60 D HN 0.312 nan 8.370 nan 0.000 0.514 61 A N -0.318 122.549 122.820 0.078 0.000 2.503 61 A HA 0.214 4.539 4.320 0.008 0.000 0.263 61 A C 0.635 178.265 177.584 0.077 0.000 1.258 61 A CA -0.205 51.872 52.037 0.068 0.000 0.936 61 A CB 0.012 19.041 19.000 0.048 0.000 1.070 61 A HN -0.028 nan 8.150 nan 0.000 0.522 62 T N 3.045 117.664 114.554 0.109 0.000 2.817 62 T HA 0.324 4.679 4.350 0.008 0.000 0.295 62 T C -0.227 174.518 174.700 0.073 0.000 0.958 62 T CA 0.032 62.191 62.100 0.099 0.000 1.157 62 T CB 0.424 69.376 68.868 0.140 0.000 0.898 62 T HN 0.595 nan 8.240 nan 0.000 0.536 63 D N 2.245 122.678 120.400 0.055 0.000 2.277 63 D HA 0.205 4.850 4.640 0.008 0.000 0.250 63 D C 1.261 177.588 176.300 0.046 0.000 1.032 63 D CA -1.111 52.920 54.000 0.052 0.000 0.947 63 D CB 0.722 41.555 40.800 0.056 0.000 1.159 63 D HN 0.189 nan 8.370 nan 0.000 0.460 64 V N 0.748 120.699 119.914 0.062 0.000 2.527 64 V HA -0.301 3.824 4.120 0.008 0.000 0.255 64 V C 2.620 178.755 176.094 0.070 0.000 1.081 64 V CA 2.175 64.519 62.300 0.072 0.000 1.092 64 V CB -0.907 30.991 31.823 0.125 0.000 0.673 64 V HN 0.634 nan 8.190 nan 0.000 0.470 65 R N 0.260 120.799 120.500 0.065 0.000 2.103 65 R HA -0.182 4.163 4.340 0.008 0.000 0.234 65 R C 2.490 178.809 176.300 0.032 0.000 1.132 65 R CA 2.057 58.188 56.100 0.051 0.000 0.925 65 R CB -1.030 29.295 30.300 0.042 0.000 0.842 65 R HN 0.531 nan 8.270 nan 0.000 0.430 66 G N 2.010 110.825 108.800 0.024 0.000 2.649 66 G HA2 -0.315 3.650 3.960 0.008 0.000 0.220 66 G HA3 -0.315 3.650 3.960 0.008 0.000 0.220 66 G C 1.425 176.321 174.900 -0.006 0.000 1.189 66 G CA 1.327 46.431 45.100 0.008 0.000 0.777 66 G HN 0.256 nan 8.290 nan 0.000 0.602 67 I N 1.157 121.725 120.570 -0.004 0.000 2.091 67 I HA -0.171 4.003 4.170 0.008 0.000 0.239 67 I C 2.944 179.059 176.117 -0.003 0.000 1.061 67 I CA 1.199 62.490 61.300 -0.016 0.000 1.317 67 I CB -1.209 36.774 38.000 -0.027 0.000 1.031 67 I HN 0.230 nan 8.210 nan 0.000 0.401 68 I N 0.220 120.804 120.570 0.023 0.000 2.127 68 I HA -0.366 3.809 4.170 0.008 0.000 0.241 68 I C 2.747 178.846 176.117 -0.029 0.000 1.075 68 I CA 1.476 62.788 61.300 0.020 0.000 1.334 68 I CB -0.553 37.492 38.000 0.074 0.000 1.040 68 I HN 0.329 nan 8.210 nan 0.000 0.405 69 Q N 1.080 120.871 119.800 -0.016 0.000 2.029 69 Q HA -0.285 4.060 4.340 0.008 0.000 0.209 69 Q C 2.305 178.272 176.000 -0.055 0.000 0.999 69 Q CA 1.964 57.748 55.803 -0.031 0.000 0.857 69 Q CB -0.037 28.692 28.738 -0.015 0.000 0.926 69 Q HN 0.196 nan 8.270 nan 0.000 0.415 70 K N 0.171 120.541 120.400 -0.051 0.000 2.211 70 K HA -0.071 4.254 4.320 0.008 0.000 0.203 70 K C 1.872 178.429 176.600 -0.072 0.000 1.050 70 K CA 0.844 57.092 56.287 -0.065 0.000 0.945 70 K CB -0.041 32.417 32.500 -0.070 0.000 0.732 70 K HN 0.361 nan 8.250 nan 0.000 0.451 71 I N 0.634 121.168 120.570 -0.059 0.000 2.333 71 I HA -0.198 3.977 4.170 0.008 0.000 0.246 71 I C 2.197 178.268 176.117 -0.076 0.000 1.106 71 I CA 0.699 61.976 61.300 -0.039 0.000 1.411 71 I CB -0.219 37.782 38.000 0.001 0.000 1.082 71 I HN -0.113 nan 8.210 nan 0.000 0.420 72 V N -1.924 117.891 119.914 -0.165 0.000 2.719 72 V HA -0.108 4.017 4.120 0.008 0.000 0.252 72 V C 1.734 177.720 176.094 -0.179 0.000 1.065 72 V CA 1.482 63.628 62.300 -0.256 0.000 1.086 72 V CB -0.704 30.863 31.823 -0.427 0.000 0.700 72 V HN 0.216 nan 8.190 nan 0.000 0.467 73 D N -0.153 120.168 120.400 -0.131 0.000 2.219 73 D HA -0.106 4.539 4.640 0.008 0.000 0.205 73 D C 1.934 178.144 176.300 -0.151 0.000 0.970 73 D CA 1.535 55.468 54.000 -0.112 0.000 0.851 73 D CB -0.495 40.254 40.800 -0.085 0.000 0.943 73 D HN 0.566 nan 8.370 nan 0.000 0.488 74 C N 0.051 119.242 119.300 -0.183 0.000 2.522 74 C HA -0.002 4.463 4.460 0.008 0.000 0.271 74 C C 1.335 175.994 174.990 -0.552 0.000 1.425 74 C CA 0.252 59.092 59.018 -0.296 0.000 1.751 74 C CB -1.073 26.507 27.740 -0.266 0.000 1.775 74 C HN 0.372 nan 8.230 nan 0.000 0.557 75 H N -0.269 118.547 119.070 -0.424 0.000 2.916 75 H HA 0.098 4.659 4.556 0.008 0.000 0.262 75 H C 0.040 175.169 175.328 -0.332 0.000 1.178 75 H CA 0.007 55.733 56.048 -0.536 0.000 1.090 75 H CB 0.325 29.374 29.762 -1.189 0.000 1.657 75 H HN 0.291 nan 8.280 nan 0.000 0.601 76 K N 0.240 120.552 120.400 -0.148 0.000 3.125 76 K HA -0.114 4.211 4.320 0.008 0.000 0.268 76 K C -0.204 176.375 176.600 -0.035 0.000 1.078 76 K CA 0.117 56.356 56.287 -0.080 0.000 0.775 76 K CB -2.755 29.705 32.500 -0.065 0.000 1.253 76 K HN 0.067 nan 8.250 nan 0.000 0.486 77 V N 1.402 121.289 119.914 -0.044 0.000 2.530 77 V HA 0.095 4.220 4.120 0.008 0.000 0.282 77 V C 1.782 177.901 176.094 0.043 0.000 1.048 77 V CA -0.089 62.222 62.300 0.018 0.000 0.997 77 V CB 1.422 33.227 31.823 -0.030 0.000 0.987 77 V HN 0.284 nan 8.190 nan 0.000 0.477 78 K N 2.449 122.899 120.400 0.084 0.000 2.308 78 K HA 0.156 4.481 4.320 0.008 0.000 0.197 78 K C 0.479 177.148 176.600 0.116 0.000 1.049 78 K CA 0.175 56.514 56.287 0.086 0.000 0.991 78 K CB 0.229 32.781 32.500 0.087 0.000 0.836 78 K HN 0.476 nan 8.250 nan 0.000 0.500 79 N N 2.027 120.825 118.700 0.163 0.000 3.324 79 N HA 0.041 4.786 4.740 0.008 0.000 0.302 79 N C 0.943 176.596 175.510 0.237 0.000 1.360 79 N CA 0.064 53.228 53.050 0.190 0.000 1.190 79 N CB 0.905 39.532 38.487 0.233 0.000 1.462 79 N HN -0.130 nan 8.380 nan 0.000 0.532 80 V N 0.509 120.532 119.914 0.182 0.000 2.332 80 V HA -0.252 3.873 4.120 0.008 0.000 0.248 80 V C 2.308 178.530 176.094 0.214 0.000 1.055 80 V CA 2.019 64.431 62.300 0.188 0.000 1.038 80 V CB -0.669 31.201 31.823 0.078 0.000 0.651 80 V HN 0.476 nan 8.190 nan 0.000 0.450 81 A N -1.552 121.341 122.820 0.122 0.000 2.259 81 A HA -0.160 4.165 4.320 0.008 0.000 0.212 81 A C 2.000 179.614 177.584 0.050 0.000 1.178 81 A CA 1.604 53.673 52.037 0.052 0.000 0.734 81 A CB -0.904 18.104 19.000 0.013 0.000 0.774 81 A HN 0.658 nan 8.150 nan 0.000 0.481 82 C N -2.572 116.791 119.300 0.105 0.000 3.065 82 C HA 0.297 4.762 4.460 0.008 0.000 0.285 82 C C 0.324 175.307 174.990 -0.012 0.000 1.257 82 C CA -0.706 58.326 59.018 0.022 0.000 1.691 82 C CB -1.304 26.354 27.740 -0.137 0.000 2.089 82 C HN 0.567 nan 8.230 nan 0.000 0.630 83 Y N 1.360 121.720 120.300 0.100 0.000 2.308 83 Y HA 0.557 5.112 4.550 0.008 0.000 0.329 83 Y C 0.907 176.957 175.900 0.250 0.000 1.111 83 Y CA 0.364 58.512 58.100 0.079 0.000 1.179 83 Y CB 0.613 39.044 38.460 -0.050 0.000 1.201 83 Y HN 0.205 nan 8.280 nan 0.000 0.483 84 G N 1.779 110.852 108.800 0.455 0.000 2.788 84 G HA2 0.611 4.576 3.960 0.008 0.000 0.293 84 G HA3 0.611 4.576 3.960 0.008 0.000 0.293 84 G C -2.188 173.035 174.900 0.539 0.000 1.305 84 G CA -0.787 44.649 45.100 0.560 0.000 1.005 84 G HN 0.415 nan 8.290 nan 0.000 0.496 85 L N 0.228 121.753 121.223 0.503 0.000 2.349 85 L HA 0.664 5.009 4.340 0.008 0.000 0.278 85 L C -0.037 176.870 176.870 0.062 0.000 0.996 85 L CA -0.856 54.156 54.840 0.287 0.000 0.825 85 L CB 1.608 43.810 42.059 0.239 0.000 1.243 85 L HN 0.545 nan 8.230 nan 0.000 0.412 86 R N 4.751 125.084 120.500 -0.277 0.000 2.439 86 R HA 0.611 4.956 4.340 0.008 0.000 0.310 86 R C -1.771 174.282 176.300 -0.411 0.000 0.955 86 R CA -0.812 54.837 56.100 -0.752 0.000 0.853 86 R CB 1.427 30.872 30.300 -1.425 0.000 1.171 86 R HN 0.621 nan 8.270 nan 0.000 0.449 87 L N 3.070 124.044 121.223 -0.415 0.000 2.296 87 L HA 0.536 4.881 4.340 0.008 0.000 0.286 87 L C -1.179 175.534 176.870 -0.261 0.000 1.023 87 L CA 0.238 54.795 54.840 -0.472 0.000 0.812 87 L CB 1.862 43.435 42.059 -0.811 0.000 1.223 87 L HN 0.589 nan 8.230 nan 0.000 0.421 88 S N 3.595 119.229 115.700 -0.110 0.000 2.548 88 S HA 0.370 4.845 4.470 0.008 0.000 0.276 88 S C -0.931 173.781 174.600 0.187 0.000 1.129 88 S CA -0.670 57.591 58.200 0.102 0.000 0.931 88 S CB 0.492 63.682 63.200 -0.017 0.000 1.068 88 S HN 0.867 nan 8.310 nan 0.000 0.480 89 H N 4.446 123.594 119.070 0.131 0.000 2.929 89 H HA 0.137 4.698 4.556 0.008 0.000 0.358 89 H C 1.018 176.200 175.328 -0.243 0.000 1.111 89 H CA 0.681 56.515 56.048 -0.356 0.000 1.409 89 H CB 0.587 29.992 29.762 -0.594 0.000 1.373 89 H HN 0.680 nan 8.280 nan 0.000 0.610 90 L N 2.409 123.171 121.223 -0.769 0.000 1.961 90 L HA -0.184 4.161 4.340 0.008 0.000 0.209 90 L C 2.206 178.955 176.870 -0.202 0.000 1.075 90 L CA 1.238 55.816 54.840 -0.438 0.000 0.749 90 L CB -0.545 41.231 42.059 -0.472 0.000 0.890 90 L HN 0.572 nan 8.230 nan 0.000 0.433 91 Q N 0.060 119.789 119.800 -0.118 0.000 2.515 91 Q HA 0.010 4.355 4.340 0.008 0.000 0.214 91 Q C 0.416 176.458 176.000 0.071 0.000 0.971 91 Q CA 0.161 55.981 55.803 0.029 0.000 0.952 91 Q CB -0.029 28.734 28.738 0.042 0.000 0.999 91 Q HN 0.264 nan 8.270 nan 0.000 0.524 92 S N -1.224 114.560 115.700 0.140 0.000 2.537 92 S HA 0.278 4.753 4.470 0.008 0.000 0.301 92 S C 0.359 174.972 174.600 0.021 0.000 1.092 92 S CA -0.629 57.593 58.200 0.037 0.000 1.048 92 S CB 1.255 64.460 63.200 0.008 0.000 1.053 92 S HN 0.224 nan 8.310 nan 0.000 0.501 93 E N 1.137 121.341 120.200 0.007 0.000 2.474 93 E HA 0.061 4.416 4.350 0.008 0.000 0.194 93 E C 0.556 177.160 176.600 0.007 0.000 1.041 93 E CA -0.037 56.363 56.400 0.001 0.000 0.874 93 E CB 0.317 30.015 29.700 -0.003 0.000 0.914 93 E HN 0.834 nan 8.360 nan 0.000 0.498 94 E N -0.086 120.125 120.200 0.018 0.000 2.405 94 E HA 0.371 4.726 4.350 0.008 0.000 0.253 94 E C -0.436 176.142 176.600 -0.038 0.000 1.257 94 E CA -0.531 55.867 56.400 -0.004 0.000 0.960 94 E CB 1.319 31.020 29.700 0.002 0.000 1.077 94 E HN -0.219 nan 8.360 nan 0.000 0.512 95 V N 0.508 120.324 119.914 -0.164 0.000 2.969 95 V HA 0.245 4.370 4.120 0.008 0.000 0.304 95 V C -1.820 174.031 176.094 -0.405 0.000 1.192 95 V CA -0.712 61.466 62.300 -0.203 0.000 0.962 95 V CB 2.258 34.010 31.823 -0.118 0.000 1.045 95 V HN 0.747 nan 8.190 nan 0.000 0.428 96 H N 2.866 121.844 119.070 -0.153 0.000 2.800 96 H HA 0.402 4.963 4.556 0.008 0.000 0.322 96 H C -1.370 173.853 175.328 -0.176 0.000 0.979 96 H CA -0.166 55.830 56.048 -0.086 0.000 1.277 96 H CB 1.012 30.694 29.762 -0.133 0.000 1.484 96 H HN 0.627 nan 8.280 nan 0.000 0.512 97 W N 4.987 126.395 121.300 0.181 0.000 2.335 97 W HA 0.306 4.970 4.660 0.008 0.000 0.306 97 W C -0.403 176.280 176.519 0.273 0.000 1.216 97 W CA -0.678 56.765 57.345 0.163 0.000 1.237 97 W CB 0.674 30.191 29.460 0.095 0.000 1.243 97 W HN 0.410 nan 8.180 nan 0.000 0.493 98 L N 6.229 127.704 121.223 0.419 0.000 2.334 98 L HA 0.179 4.524 4.340 0.008 0.000 0.286 98 L C -0.003 177.136 176.870 0.449 0.000 1.108 98 L CA -1.054 54.019 54.840 0.389 0.000 0.875 98 L CB -0.673 41.522 42.059 0.227 0.000 1.246 98 L HN 0.320 nan 8.230 nan 0.000 0.439 99 H N 2.460 121.668 119.070 0.229 0.000 3.115 99 H HA -0.066 4.495 4.556 0.008 0.000 0.324 99 H C 1.170 176.589 175.328 0.152 0.000 1.007 99 H CA -0.055 56.108 56.048 0.192 0.000 1.385 99 H CB 0.639 30.512 29.762 0.185 0.000 1.351 99 H HN 0.550 nan 8.280 nan 0.000 0.592 100 L N 1.382 122.739 121.223 0.223 0.000 2.103 100 L HA -0.278 4.067 4.340 0.008 0.000 0.215 100 L C 1.492 178.441 176.870 0.130 0.000 1.080 100 L CA 2.077 57.006 54.840 0.148 0.000 0.764 100 L CB -0.236 41.875 42.059 0.087 0.000 0.890 100 L HN 0.758 nan 8.230 nan 0.000 0.435 101 D N -1.860 118.626 120.400 0.143 0.000 2.349 101 D HA -0.047 4.598 4.640 0.008 0.000 0.215 101 D C 0.946 177.304 176.300 0.096 0.000 1.016 101 D CA 0.163 54.226 54.000 0.104 0.000 0.870 101 D CB -0.053 40.805 40.800 0.096 0.000 0.917 101 D HN 0.152 nan 8.370 nan 0.000 0.524 102 M N 1.304 120.975 119.600 0.119 0.000 2.238 102 M HA 0.309 4.794 4.480 0.008 0.000 0.347 102 M C 0.854 177.200 176.300 0.077 0.000 1.173 102 M CA -0.063 55.294 55.300 0.095 0.000 1.147 102 M CB 1.041 33.711 32.600 0.116 0.000 1.547 102 M HN -0.042 nan 8.290 nan 0.000 0.455 103 G N 2.219 111.057 108.800 0.062 0.000 2.338 103 G HA2 0.420 4.385 3.960 0.008 0.000 0.295 103 G HA3 0.420 4.385 3.960 0.008 0.000 0.295 103 G C 0.908 175.839 174.900 0.051 0.000 1.132 103 G CA -0.718 44.416 45.100 0.058 0.000 0.922 103 G HN 0.633 nan 8.290 nan 0.000 0.427 104 V N 3.077 123.002 119.914 0.019 0.000 2.277 104 V HA -0.283 3.842 4.120 0.008 0.000 0.255 104 V C 3.003 179.087 176.094 -0.018 0.000 1.074 104 V CA 2.676 64.933 62.300 -0.072 0.000 1.058 104 V CB -0.663 30.970 31.823 -0.317 0.000 0.656 104 V HN 0.654 nan 8.190 nan 0.000 0.449 105 S N 0.892 116.648 115.700 0.094 0.000 2.383 105 S HA -0.140 4.335 4.470 0.008 0.000 0.227 105 S C 1.276 175.927 174.600 0.085 0.000 1.026 105 S CA 1.541 59.828 58.200 0.145 0.000 0.981 105 S CB -0.494 62.814 63.200 0.180 0.000 0.818 105 S HN 0.952 nan 8.310 nan 0.000 0.472 106 N N 0.635 119.375 118.700 0.066 0.000 2.389 106 N HA 0.175 4.920 4.740 0.008 0.000 0.237 106 N C 0.362 175.902 175.510 0.050 0.000 1.148 106 N CA -0.004 53.074 53.050 0.046 0.000 0.854 106 N CB 0.540 39.045 38.487 0.030 0.000 1.115 106 N HN 0.161 nan 8.380 nan 0.000 0.492 107 V N -0.879 119.082 119.914 0.077 0.000 3.137 107 V HA 0.135 4.260 4.120 0.008 0.000 0.236 107 V C 2.319 178.520 176.094 0.179 0.000 1.260 107 V CA 0.258 62.644 62.300 0.145 0.000 1.244 107 V CB -0.207 31.705 31.823 0.149 0.000 1.016 107 V HN 0.292 nan 8.190 nan 0.000 0.477 108 R N 1.405 121.971 120.500 0.110 0.000 2.132 108 R HA -0.305 4.040 4.340 0.008 0.000 0.233 108 R C 2.167 178.521 176.300 0.090 0.000 1.125 108 R CA 2.786 58.949 56.100 0.105 0.000 0.914 108 R CB -0.543 29.806 30.300 0.082 0.000 0.845 108 R HN 0.465 nan 8.270 nan 0.000 0.431 109 E N 0.316 120.555 120.200 0.066 0.000 2.181 109 E HA -0.344 4.011 4.350 0.008 0.000 0.225 109 E C 1.927 178.526 176.600 -0.001 0.000 1.073 109 E CA 2.741 59.162 56.400 0.036 0.000 0.916 109 E CB -0.181 29.532 29.700 0.023 0.000 0.793 109 E HN 0.440 nan 8.360 nan 0.000 0.472 110 K N -1.468 118.905 120.400 -0.044 0.000 2.001 110 K HA -0.122 4.203 4.320 0.008 0.000 0.208 110 K C 2.092 178.530 176.600 -0.270 0.000 1.048 110 K CA 1.698 57.868 56.287 -0.195 0.000 0.932 110 K CB -0.284 32.022 32.500 -0.324 0.000 0.715 110 K HN 0.168 nan 8.250 nan 0.000 0.437 111 F N 0.806 120.644 119.950 -0.187 0.000 2.335 111 F HA 0.035 4.567 4.527 0.009 0.000 0.296 111 F C 2.059 177.831 175.800 -0.046 0.000 1.091 111 F CA 0.787 58.602 58.000 -0.309 0.000 1.399 111 F CB 0.078 38.554 39.000 -0.873 0.000 1.067 111 F HN 0.134 nan 8.300 nan 0.000 0.520 112 E N 0.454 120.751 120.200 0.162 0.000 2.511 112 E HA -0.084 4.271 4.350 0.008 0.000 0.196 112 E C 1.949 178.664 176.600 0.190 0.000 1.066 112 E CA 0.071 56.627 56.400 0.261 0.000 0.871 112 E CB -0.073 29.744 29.700 0.196 0.000 0.863 112 E HN 0.464 nan 8.360 nan 0.000 0.520 113 L N -1.363 119.922 121.223 0.103 0.000 2.567 113 L HA 0.281 4.626 4.340 0.008 0.000 0.225 113 L C 1.668 178.546 176.870 0.013 0.000 1.119 113 L CA 0.632 55.498 54.840 0.042 0.000 0.871 113 L CB 0.205 42.259 42.059 -0.008 0.000 1.036 113 L HN 0.073 nan 8.230 nan 0.000 0.459 114 A N -1.036 121.816 122.820 0.054 0.000 1.909 114 A HA 0.237 4.562 4.320 0.008 0.000 0.209 114 A C 0.413 177.795 177.584 -0.338 0.000 1.247 114 A CA 0.442 52.413 52.037 -0.110 0.000 0.660 114 A CB -0.074 18.951 19.000 0.042 0.000 0.910 114 A HN 0.503 nan 8.150 nan 0.000 0.465 115 H N -1.694 117.636 119.070 0.434 0.000 2.928 115 H HA 0.394 4.955 4.556 0.008 0.000 0.371 115 H C -2.925 172.625 175.328 0.370 0.000 1.186 115 H CA -2.212 54.002 56.048 0.277 0.000 1.134 115 H CB 1.003 30.784 29.762 0.031 0.000 1.824 115 H HN 0.034 nan 8.280 nan 0.000 0.554 116 P HA -0.023 nan 4.420 nan 0.000 0.268 116 P C -1.688 175.824 177.300 0.354 0.000 1.208 116 P CA -0.900 62.360 63.100 0.266 0.000 0.777 116 P CB 0.500 32.290 31.700 0.150 0.000 0.875 117 P HA -0.156 nan 4.420 nan 0.000 0.220 117 P C 0.927 178.395 177.300 0.280 0.000 1.148 117 P CA 1.452 64.794 63.100 0.404 0.000 0.803 117 P CB 0.067 31.932 31.700 0.275 0.000 0.782 118 E N 0.713 121.008 120.200 0.157 0.000 2.171 118 E HA -0.201 4.154 4.350 0.008 0.000 0.197 118 E C 1.710 178.300 176.600 -0.016 0.000 0.997 118 E CA 1.462 57.906 56.400 0.072 0.000 0.810 118 E CB -0.571 29.151 29.700 0.037 0.000 0.738 118 E HN 0.612 nan 8.360 nan 0.000 0.467 119 E N -1.149 118.975 120.200 -0.127 0.000 2.476 119 E HA 0.032 4.387 4.350 0.008 0.000 0.196 119 E C -0.390 175.866 176.600 -0.574 0.000 1.029 119 E CA -0.305 55.843 56.400 -0.421 0.000 0.896 119 E CB 0.048 29.389 29.700 -0.597 0.000 1.012 119 E HN 0.189 nan 8.360 nan 0.000 0.475 120 W N 1.991 123.230 121.300 -0.102 0.000 2.438 120 W HA 0.388 5.053 4.660 0.008 0.000 0.324 120 W C 0.194 176.637 176.519 -0.127 0.000 1.119 120 W CA -0.961 56.300 57.345 -0.140 0.000 1.221 120 W CB 1.418 30.819 29.460 -0.099 0.000 1.253 120 W HN -0.240 nan 8.180 nan 0.000 0.555 121 K N 3.393 123.828 120.400 0.058 0.000 2.507 121 K HA 0.274 4.599 4.320 0.008 0.000 0.253 121 K C -1.638 174.930 176.600 -0.054 0.000 0.969 121 K CA -0.794 55.508 56.287 0.025 0.000 0.908 121 K CB 0.608 33.029 32.500 -0.132 0.000 1.127 121 K HN 0.428 nan 8.250 nan 0.000 0.437 122 Y N 2.939 123.338 120.300 0.165 0.000 2.425 122 Y HA 0.124 4.678 4.550 0.008 0.000 0.347 122 Y C 0.279 176.282 175.900 0.172 0.000 0.976 122 Y CA -0.351 57.806 58.100 0.096 0.000 1.190 122 Y CB 0.891 39.388 38.460 0.062 0.000 1.136 122 Y HN 0.497 nan 8.280 nan 0.000 0.517 123 E N 3.393 123.713 120.200 0.201 0.000 2.224 123 E HA 0.444 4.799 4.350 0.008 0.000 0.265 123 E C -1.692 175.063 176.600 0.258 0.000 0.878 123 E CA -1.196 55.345 56.400 0.235 0.000 0.759 123 E CB 1.710 31.503 29.700 0.155 0.000 1.164 123 E HN 0.528 nan 8.360 nan 0.000 0.414 124 L N 3.732 125.180 121.223 0.374 0.000 2.410 124 L HA 0.323 4.668 4.340 0.008 0.000 0.273 124 L C -0.535 176.748 176.870 0.688 0.000 1.152 124 L CA 0.645 55.763 54.840 0.463 0.000 0.855 124 L CB 0.171 42.496 42.059 0.444 0.000 1.129 124 L HN 0.656 nan 8.230 nan 0.000 0.463 125 R N 4.529 125.396 120.500 0.613 0.000 2.808 125 R HA 0.558 4.903 4.340 0.008 0.000 0.272 125 R C -1.188 175.371 176.300 0.432 0.000 0.995 125 R CA -1.064 55.424 56.100 0.647 0.000 0.917 125 R CB 1.658 32.291 30.300 0.556 0.000 1.217 125 R HN 0.538 nan 8.270 nan 0.000 0.471 126 I N 1.635 122.375 120.570 0.283 0.000 2.325 126 I HA 0.230 4.405 4.170 0.008 0.000 0.291 126 I C 1.288 177.305 176.117 -0.167 0.000 1.019 126 I CA 0.220 61.450 61.300 -0.116 0.000 1.302 126 I CB 1.094 38.981 38.000 -0.188 0.000 1.401 126 I HN 0.523 nan 8.210 nan 0.000 0.485 127 R N 4.476 124.631 120.500 -0.574 0.000 2.453 127 R HA 0.187 4.532 4.340 0.008 0.000 0.233 127 R C -0.660 174.918 176.300 -1.204 0.000 0.895 127 R CA 0.027 55.512 56.100 -1.025 0.000 1.028 127 R CB 0.672 29.949 30.300 -1.704 0.000 1.255 127 R HN 0.536 nan 8.270 nan 0.000 0.571 128 Y N 1.328 121.320 120.300 -0.514 0.000 2.686 128 Y HA 0.362 4.917 4.550 0.008 0.000 0.331 128 Y C -0.581 175.037 175.900 -0.471 0.000 0.996 128 Y CA -0.789 56.796 58.100 -0.857 0.000 1.293 128 Y CB 0.927 38.894 38.460 -0.822 0.000 1.092 128 Y HN -0.207 nan 8.280 nan 0.000 0.524 129 L N 5.942 127.050 121.223 -0.191 0.000 2.360 129 L HA 0.324 4.669 4.340 0.008 0.000 0.276 129 L C -1.977 174.952 176.870 0.098 0.000 1.121 129 L CA -1.977 52.777 54.840 -0.142 0.000 0.845 129 L CB 0.452 42.223 42.059 -0.480 0.000 1.143 129 L HN 0.274 nan 8.230 nan 0.000 0.452 130 P HA 0.027 nan 4.420 nan 0.000 0.271 130 P C 0.157 177.545 177.300 0.147 0.000 1.244 130 P CA -0.397 62.757 63.100 0.089 0.000 0.793 130 P CB 1.193 32.897 31.700 0.006 0.000 0.984 131 K N 0.676 121.143 120.400 0.111 0.000 2.026 131 K HA -0.070 4.255 4.320 0.008 0.000 0.208 131 K C 1.901 178.513 176.600 0.020 0.000 1.048 131 K CA 1.938 58.284 56.287 0.098 0.000 0.929 131 K CB -0.974 31.559 32.500 0.056 0.000 0.713 131 K HN 0.656 nan 8.250 nan 0.000 0.439 132 G N 0.559 109.320 108.800 -0.066 0.000 3.327 132 G HA2 -0.017 3.948 3.960 0.008 0.000 0.240 132 G HA3 -0.017 3.948 3.960 0.008 0.000 0.240 132 G C 0.803 175.481 174.900 -0.370 0.000 1.222 132 G CA -0.034 44.952 45.100 -0.189 0.000 0.871 132 G HN 0.385 nan 8.290 nan 0.000 0.525 133 F N 0.292 120.035 119.950 -0.345 0.000 2.050 133 F HA -0.337 4.195 4.527 0.008 0.000 0.294 133 F C 2.120 177.402 175.800 -0.864 0.000 1.113 133 F CA 1.393 58.938 58.000 -0.758 0.000 1.225 133 F CB -0.812 37.732 39.000 -0.760 0.000 0.953 133 F HN 0.118 nan 8.300 nan 0.000 0.501 134 L N 0.350 121.028 121.223 -0.909 0.000 1.971 134 L HA -0.295 4.050 4.340 0.008 0.000 0.215 134 L C 2.641 179.392 176.870 -0.198 0.000 1.072 134 L CA 2.293 56.908 54.840 -0.374 0.000 0.758 134 L CB -1.154 40.690 42.059 -0.359 0.000 0.889 134 L HN 0.446 nan 8.230 nan 0.000 0.433 135 N N -0.626 117.928 118.700 -0.243 0.000 2.049 135 N HA -0.338 4.407 4.740 0.008 0.000 0.198 135 N C 1.956 177.419 175.510 -0.078 0.000 1.030 135 N CA 1.871 54.846 53.050 -0.125 0.000 0.870 135 N CB -0.053 38.350 38.487 -0.140 0.000 1.045 135 N HN 0.321 nan 8.380 nan 0.000 0.434 136 Q N -0.259 119.445 119.800 -0.160 0.000 2.124 136 Q HA -0.120 4.225 4.340 0.008 0.000 0.202 136 Q C 1.563 177.633 176.000 0.116 0.000 0.977 136 Q CA 1.268 57.029 55.803 -0.070 0.000 0.850 136 Q CB -0.083 28.572 28.738 -0.138 0.000 0.901 136 Q HN 0.511 nan 8.270 nan 0.000 0.429 137 F N -0.421 119.559 119.950 0.049 0.000 2.546 137 F HA -0.114 4.417 4.527 0.008 0.000 0.298 137 F C 2.113 177.974 175.800 0.102 0.000 1.120 137 F CA 0.424 58.475 58.000 0.085 0.000 1.456 137 F CB 0.157 39.225 39.000 0.114 0.000 1.088 137 F HN 0.143 nan 8.300 nan 0.000 0.572 138 T N -0.472 114.231 114.554 0.248 0.000 2.788 138 T HA -0.195 4.160 4.350 0.008 0.000 0.268 138 T C 1.071 175.854 174.700 0.139 0.000 1.044 138 T CA 1.149 63.350 62.100 0.168 0.000 1.139 138 T CB -0.265 68.667 68.868 0.107 0.000 0.867 138 T HN 0.297 nan 8.240 nan 0.000 0.454 139 E N 1.040 121.321 120.200 0.135 0.000 2.349 139 E HA 0.135 4.490 4.350 0.008 0.000 0.201 139 E C -0.419 176.259 176.600 0.130 0.000 1.087 139 E CA -0.088 56.377 56.400 0.109 0.000 1.128 139 E CB 0.305 30.055 29.700 0.083 0.000 1.188 139 E HN 0.125 nan 8.360 nan 0.000 0.445 140 D N 0.146 120.643 120.400 0.163 0.000 2.934 140 D HA 0.065 4.710 4.640 0.008 0.000 0.249 140 D C 0.292 176.684 176.300 0.153 0.000 1.293 140 D CA -0.178 53.916 54.000 0.156 0.000 0.812 140 D CB 0.200 41.116 40.800 0.194 0.000 1.439 140 D HN -0.177 nan 8.370 nan 0.000 0.555 141 K N 0.453 120.930 120.400 0.128 0.000 2.089 141 K HA -0.114 4.211 4.320 0.008 0.000 0.210 141 K C -1.019 175.676 176.600 0.159 0.000 1.048 141 K CA 1.635 57.999 56.287 0.128 0.000 0.926 141 K CB -1.378 31.178 32.500 0.092 0.000 0.714 141 K HN 0.319 nan 8.250 nan 0.000 0.448 142 P HA -0.087 nan 4.420 nan 0.000 0.217 142 P C 0.972 178.483 177.300 0.351 0.000 1.150 142 P CA 1.356 64.623 63.100 0.278 0.000 0.832 142 P CB -0.043 31.800 31.700 0.238 0.000 0.787 143 T N -0.019 114.664 114.554 0.215 0.000 2.737 143 T HA -0.111 4.244 4.350 0.008 0.000 0.265 143 T C 1.709 176.396 174.700 -0.021 0.000 1.038 143 T CA 0.839 62.959 62.100 0.034 0.000 1.144 143 T CB -0.980 67.711 68.868 -0.296 0.000 0.866 143 T HN -0.022 nan 8.240 nan 0.000 0.434 144 L N 1.752 123.040 121.223 0.108 0.000 2.012 144 L HA -0.126 4.219 4.340 0.008 0.000 0.210 144 L C 1.962 179.045 176.870 0.354 0.000 1.073 144 L CA 1.840 56.874 54.840 0.324 0.000 0.748 144 L CB -0.809 41.448 42.059 0.329 0.000 0.891 144 L HN 0.157 nan 8.230 nan 0.000 0.431 145 N N -1.400 117.461 118.700 0.267 0.000 2.084 145 N HA -0.231 4.514 4.740 0.008 0.000 0.190 145 N C 1.711 177.390 175.510 0.280 0.000 1.030 145 N CA 1.736 54.933 53.050 0.244 0.000 0.849 145 N CB -0.462 38.137 38.487 0.188 0.000 1.012 145 N HN 0.374 nan 8.380 nan 0.000 0.423 146 F N 0.429 120.453 119.950 0.123 0.000 2.065 146 F HA -0.232 4.300 4.527 0.008 0.000 0.298 146 F C 2.047 177.897 175.800 0.084 0.000 1.112 146 F CA 1.470 59.470 58.000 -0.001 0.000 1.212 146 F CB -0.440 38.470 39.000 -0.150 0.000 0.975 146 F HN 0.068 nan 8.300 nan 0.000 0.476 147 F N -0.813 119.266 119.950 0.216 0.000 2.075 147 F HA -0.292 4.240 4.527 0.008 0.000 0.297 147 F C 2.468 178.368 175.800 0.167 0.000 1.113 147 F CA 1.710 59.803 58.000 0.155 0.000 1.218 147 F CB -0.803 38.297 39.000 0.166 0.000 0.984 147 F HN 0.142 nan 8.300 nan 0.000 0.472 148 Y N 1.367 121.727 120.300 0.100 0.000 2.114 148 Y HA -0.360 4.196 4.550 0.010 0.000 0.282 148 Y C 2.519 178.156 175.900 -0.438 0.000 1.165 148 Y CA 2.169 60.108 58.100 -0.268 0.000 1.148 148 Y CB -0.719 37.568 38.460 -0.288 0.000 0.972 148 Y HN 0.131 nan 8.280 nan 0.000 0.504 149 Q N 0.460 120.089 119.800 -0.285 0.000 2.030 149 Q HA -0.286 4.059 4.340 0.008 0.000 0.204 149 Q C 2.362 178.037 176.000 -0.540 0.000 0.986 149 Q CA 2.106 57.719 55.803 -0.316 0.000 0.843 149 Q CB -0.811 27.972 28.738 0.075 0.000 0.904 149 Q HN 0.717 nan 8.270 nan 0.000 0.420 150 Q N 0.311 119.636 119.800 -0.792 0.000 2.061 150 Q HA -0.141 4.204 4.340 0.008 0.000 0.204 150 Q C 2.079 177.680 176.000 -0.665 0.000 0.984 150 Q CA 1.734 56.825 55.803 -1.186 0.000 0.846 150 Q CB 0.164 28.320 28.738 -0.969 0.000 0.902 150 Q HN 0.219 nan 8.270 nan 0.000 0.421 151 V N 1.247 120.805 119.914 -0.594 0.000 2.307 151 V HA -0.248 3.877 4.120 0.008 0.000 0.245 151 V C 2.443 178.300 176.094 -0.395 0.000 1.045 151 V CA 2.143 64.172 62.300 -0.452 0.000 1.024 151 V CB -0.682 30.813 31.823 -0.546 0.000 0.651 151 V HN 0.393 nan 8.190 nan 0.000 0.449 152 K N 0.682 120.713 120.400 -0.615 0.000 2.063 152 K HA -0.287 4.038 4.320 0.008 0.000 0.208 152 K C 2.103 178.556 176.600 -0.245 0.000 1.048 152 K CA 2.100 58.096 56.287 -0.485 0.000 0.928 152 K CB -0.302 31.620 32.500 -0.962 0.000 0.713 152 K HN 0.456 nan 8.250 nan 0.000 0.442 153 N N 1.387 119.912 118.700 -0.292 0.000 2.061 153 N HA -0.195 4.550 4.740 0.008 0.000 0.193 153 N C 1.232 176.644 175.510 -0.164 0.000 1.030 153 N CA 2.138 55.075 53.050 -0.189 0.000 0.856 153 N CB -0.338 38.093 38.487 -0.092 0.000 1.023 153 N HN 0.234 nan 8.380 nan 0.000 0.424 154 D N -1.002 119.304 120.400 -0.157 0.000 2.117 154 D HA -0.173 4.472 4.640 0.008 0.000 0.197 154 D C 1.713 177.921 176.300 -0.153 0.000 0.987 154 D CA 0.849 54.797 54.000 -0.086 0.000 0.829 154 D CB -0.622 40.193 40.800 0.026 0.000 0.961 154 D HN 0.456 nan 8.370 nan 0.000 0.460 155 Y N 1.546 121.631 120.300 -0.358 0.000 2.128 155 Y HA -0.258 4.297 4.550 0.008 0.000 0.284 155 Y C 2.109 177.858 175.900 -0.252 0.000 1.154 155 Y CA 1.595 59.419 58.100 -0.461 0.000 1.149 155 Y CB -0.404 37.819 38.460 -0.395 0.000 0.976 155 Y HN -0.174 nan 8.280 nan 0.000 0.505 156 M N -0.579 118.644 119.600 -0.628 0.000 2.086 156 M HA -0.169 4.316 4.480 0.008 0.000 0.261 156 M C 2.107 178.190 176.300 -0.361 0.000 1.067 156 M CA 1.404 56.351 55.300 -0.588 0.000 1.116 156 M CB -1.312 31.082 32.600 -0.343 0.000 1.348 156 M HN 0.380 nan 8.290 nan 0.000 0.407 157 L N -0.154 120.923 121.223 -0.244 0.000 2.179 157 L HA -0.078 4.267 4.340 0.008 0.000 0.208 157 L C 2.275 179.077 176.870 -0.113 0.000 1.096 157 L CA 1.579 56.326 54.840 -0.156 0.000 0.779 157 L CB -0.578 41.413 42.059 -0.114 0.000 0.922 157 L HN 0.348 nan 8.230 nan 0.000 0.443 158 E N -1.042 119.097 120.200 -0.101 0.000 2.152 158 E HA 0.066 4.421 4.350 0.008 0.000 0.195 158 E C 1.612 178.215 176.600 0.004 0.000 0.934 158 E CA 1.106 57.504 56.400 -0.004 0.000 0.869 158 E CB 0.378 30.153 29.700 0.125 0.000 0.842 158 E HN 0.494 nan 8.360 nan 0.000 0.472 159 I N -3.296 117.252 120.570 -0.038 0.000 4.526 159 I HA 0.416 4.591 4.170 0.008 0.000 0.330 159 I C 1.886 177.974 176.117 -0.049 0.000 1.323 159 I CA 0.079 61.394 61.300 0.025 0.000 1.218 159 I CB 0.530 38.647 38.000 0.194 0.000 1.233 159 I HN -0.104 nan 8.210 nan 0.000 0.430 160 A N 1.509 124.150 122.820 -0.298 0.000 1.903 160 A HA -0.286 4.039 4.320 0.008 0.000 0.219 160 A C 1.919 179.432 177.584 -0.119 0.000 1.191 160 A CA 2.661 54.450 52.037 -0.413 0.000 0.638 160 A CB -1.120 17.329 19.000 -0.917 0.000 0.823 160 A HN 0.514 nan 8.150 nan 0.000 0.451 161 D N -0.262 120.072 120.400 -0.110 0.000 2.126 161 D HA -0.142 4.503 4.640 0.008 0.000 0.190 161 D C 1.562 177.865 176.300 0.005 0.000 1.001 161 D CA 1.691 55.667 54.000 -0.040 0.000 0.841 161 D CB -0.142 40.632 40.800 -0.043 0.000 0.949 161 D HN 0.709 nan 8.370 nan 0.000 0.446 162 Q N 0.639 120.448 119.800 0.015 0.000 2.936 162 Q HA 0.230 4.575 4.340 0.008 0.000 0.383 162 Q C -0.432 175.608 176.000 0.068 0.000 1.167 162 Q CA -0.228 55.598 55.803 0.039 0.000 1.038 162 Q CB 0.374 29.133 28.738 0.034 0.000 1.409 162 Q HN 0.086 nan 8.270 nan 0.000 0.448 163 V N 0.610 120.577 119.914 0.087 0.000 2.994 163 V HA 0.313 4.438 4.120 0.008 0.000 0.318 163 V C -0.548 175.604 176.094 0.097 0.000 1.085 163 V CA -0.622 61.748 62.300 0.116 0.000 0.998 163 V CB 2.164 34.101 31.823 0.189 0.000 1.063 163 V HN 0.427 nan 8.190 nan 0.000 0.447 164 D N 1.503 121.955 120.400 0.087 0.000 2.400 164 D HA 0.089 4.734 4.640 0.008 0.000 0.238 164 D C 0.838 177.190 176.300 0.087 0.000 1.157 164 D CA 0.538 54.582 54.000 0.073 0.000 0.889 164 D CB 0.730 41.566 40.800 0.060 0.000 1.199 164 D HN 0.586 nan 8.370 nan 0.000 0.436 165 Q N 1.102 120.947 119.800 0.076 0.000 2.046 165 Q HA -0.178 4.167 4.340 0.008 0.000 0.200 165 Q C 1.271 177.331 176.000 0.101 0.000 0.975 165 Q CA 1.244 57.098 55.803 0.085 0.000 0.836 165 Q CB 0.180 28.953 28.738 0.060 0.000 0.896 165 Q HN 0.539 nan 8.270 nan 0.000 0.428 166 E N 0.257 120.506 120.200 0.081 0.000 2.110 166 E HA -0.192 4.163 4.350 0.008 0.000 0.193 166 E C 2.112 178.773 176.600 0.101 0.000 0.988 166 E CA 0.786 57.237 56.400 0.085 0.000 0.804 166 E CB -0.001 29.735 29.700 0.060 0.000 0.745 166 E HN 0.383 nan 8.360 nan 0.000 0.458 167 I N 1.301 121.921 120.570 0.083 0.000 2.142 167 I HA -0.240 3.935 4.170 0.008 0.000 0.240 167 I C 2.628 178.786 176.117 0.068 0.000 1.078 167 I CA 1.104 62.436 61.300 0.052 0.000 1.343 167 I CB -1.275 36.746 38.000 0.035 0.000 1.046 167 I HN 0.014 nan 8.210 nan 0.000 0.405 168 A N 1.188 124.097 122.820 0.148 0.000 1.859 168 A HA -0.243 4.082 4.320 0.008 0.000 0.217 168 A C 2.419 180.190 177.584 0.312 0.000 1.198 168 A CA 1.755 53.942 52.037 0.248 0.000 0.629 168 A CB -1.156 18.022 19.000 0.297 0.000 0.830 168 A HN 0.379 nan 8.150 nan 0.000 0.446 169 L N -0.647 120.796 121.223 0.366 0.000 1.991 169 L HA -0.323 4.022 4.340 0.008 0.000 0.221 169 L C 2.732 179.830 176.870 0.381 0.000 1.079 169 L CA 2.371 57.489 54.840 0.463 0.000 0.778 169 L CB -0.424 41.799 42.059 0.273 0.000 0.893 169 L HN 0.409 nan 8.230 nan 0.000 0.437 170 K N -0.483 120.075 120.400 0.265 0.000 2.074 170 K HA -0.208 4.117 4.320 0.008 0.000 0.209 170 K C 2.033 178.718 176.600 0.141 0.000 1.048 170 K CA 1.388 57.866 56.287 0.318 0.000 0.926 170 K CB -0.279 32.371 32.500 0.251 0.000 0.713 170 K HN 0.259 nan 8.250 nan 0.000 0.444 171 L N -0.112 121.083 121.223 -0.046 0.000 1.973 171 L HA -0.130 4.215 4.340 0.008 0.000 0.208 171 L C 2.621 179.451 176.870 -0.067 0.000 1.073 171 L CA 1.518 56.194 54.840 -0.273 0.000 0.746 171 L CB -1.167 40.566 42.059 -0.543 0.000 0.891 171 L HN 0.356 nan 8.230 nan 0.000 0.433 172 G N -0.548 108.168 108.800 -0.140 0.000 2.606 172 G HA2 -0.352 3.613 3.960 0.008 0.000 0.221 172 G HA3 -0.352 3.613 3.960 0.008 0.000 0.221 172 G C 1.636 176.452 174.900 -0.140 0.000 1.152 172 G CA 1.324 46.133 45.100 -0.485 0.000 0.765 172 G HN 0.450 nan 8.290 nan 0.000 0.595 173 C N -0.010 119.387 119.300 0.161 0.000 2.413 173 C HA 0.039 4.504 4.460 0.008 0.000 0.276 173 C C 2.983 178.157 174.990 0.308 0.000 1.248 173 C CA 0.847 60.093 59.018 0.380 0.000 1.742 173 C CB -1.067 27.079 27.740 0.677 0.000 2.017 173 C HN 0.478 nan 8.230 nan 0.000 0.481 174 L N 0.514 121.791 121.223 0.090 0.000 2.141 174 L HA -0.125 4.220 4.340 0.008 0.000 0.209 174 L C 2.667 179.585 176.870 0.079 0.000 1.094 174 L CA 1.482 56.302 54.840 -0.035 0.000 0.763 174 L CB -0.614 41.325 42.059 -0.199 0.000 0.908 174 L HN 0.278 nan 8.230 nan 0.000 0.437 175 E N 0.892 121.177 120.200 0.142 0.000 2.106 175 E HA -0.184 4.171 4.350 0.008 0.000 0.192 175 E C 1.973 178.605 176.600 0.053 0.000 0.984 175 E CA 1.339 57.831 56.400 0.152 0.000 0.806 175 E CB -0.169 29.693 29.700 0.270 0.000 0.750 175 E HN 0.353 nan 8.360 nan 0.000 0.458 176 I N 0.392 120.888 120.570 -0.123 0.000 2.142 176 I HA -0.249 3.925 4.170 0.008 0.000 0.240 176 I C 2.568 178.809 176.117 0.206 0.000 1.078 176 I CA 1.411 62.641 61.300 -0.118 0.000 1.343 176 I CB -0.368 37.468 38.000 -0.273 0.000 1.046 176 I HN 0.066 nan 8.210 nan 0.000 0.405 177 R N 0.930 121.624 120.500 0.324 0.000 2.083 177 R HA -0.181 4.164 4.340 0.008 0.000 0.237 177 R C 2.427 178.820 176.300 0.155 0.000 1.137 177 R CA 1.750 58.057 56.100 0.346 0.000 0.951 177 R CB -0.486 29.962 30.300 0.246 0.000 0.851 177 R HN 0.255 nan 8.270 nan 0.000 0.434 178 R N -0.622 119.908 120.500 0.051 0.000 2.073 178 R HA -0.025 4.320 4.340 0.008 0.000 0.229 178 R C 2.238 178.514 176.300 -0.039 0.000 1.120 178 R CA 1.675 57.751 56.100 -0.039 0.000 0.967 178 R CB -0.489 29.711 30.300 -0.165 0.000 0.862 178 R HN 0.315 nan 8.270 nan 0.000 0.436 179 S N -0.344 115.319 115.700 -0.063 0.000 2.355 179 S HA -0.110 4.365 4.470 0.008 0.000 0.222 179 S C 0.341 174.771 174.600 -0.284 0.000 1.031 179 S CA 0.806 58.874 58.200 -0.219 0.000 0.993 179 S CB -0.102 62.883 63.200 -0.357 0.000 0.859 179 S HN 0.452 nan 8.310 nan 0.000 0.453 180 Y N 1.387 121.761 120.300 0.123 0.000 2.849 180 Y HA 0.390 4.945 4.550 0.007 0.000 0.356 180 Y C 1.591 177.528 175.900 0.063 0.000 1.236 180 Y CA -0.517 57.646 58.100 0.105 0.000 1.508 180 Y CB 0.039 38.589 38.460 0.151 0.000 1.619 180 Y HN 0.282 nan 8.280 nan 0.000 0.513 181 G N 0.493 109.372 108.800 0.133 0.000 2.440 181 G HA2 -0.294 3.671 3.960 0.008 0.000 0.218 181 G HA3 -0.294 3.671 3.960 0.008 0.000 0.218 181 G C 1.355 176.300 174.900 0.075 0.000 1.154 181 G CA 0.837 45.989 45.100 0.086 0.000 0.767 181 G HN 0.442 nan 8.290 nan 0.000 0.552 182 E N -0.161 120.075 120.200 0.060 0.000 2.502 182 E HA 0.168 4.522 4.350 0.008 0.000 0.194 182 E C 1.401 177.991 176.600 -0.016 0.000 1.062 182 E CA -0.285 56.126 56.400 0.018 0.000 0.867 182 E CB -0.155 29.549 29.700 0.008 0.000 0.888 182 E HN 0.647 nan 8.360 nan 0.000 0.510 183 M N -0.373 119.218 119.600 -0.014 0.000 2.249 183 M HA 0.464 4.949 4.480 0.008 0.000 0.351 183 M C -0.255 176.055 176.300 0.017 0.000 1.180 183 M CA -0.652 54.607 55.300 -0.069 0.000 1.127 183 M CB 1.401 33.892 32.600 -0.182 0.000 1.546 183 M HN -0.367 nan 8.290 nan 0.000 0.461 184 R N 2.145 122.650 120.500 0.008 0.000 2.582 184 R HA 0.372 4.717 4.340 0.008 0.000 0.271 184 R C 1.464 177.831 176.300 0.111 0.000 1.078 184 R CA 0.918 57.047 56.100 0.048 0.000 1.127 184 R CB 0.551 30.865 30.300 0.024 0.000 1.038 184 R HN 1.012 nan 8.270 nan 0.000 0.500 185 G N 1.281 110.162 108.800 0.134 0.000 2.469 185 G HA2 -0.354 3.611 3.960 0.008 0.000 0.219 185 G HA3 -0.354 3.611 3.960 0.008 0.000 0.219 185 G C 0.842 175.899 174.900 0.261 0.000 1.150 185 G CA 1.270 46.506 45.100 0.227 0.000 0.763 185 G HN 0.821 nan 8.290 nan 0.000 0.561 186 N N 0.963 119.748 118.700 0.141 0.000 2.575 186 N HA 0.352 5.097 4.740 0.008 0.000 0.192 186 N C 1.762 177.330 175.510 0.097 0.000 1.200 186 N CA 1.049 54.166 53.050 0.112 0.000 0.897 186 N CB -0.018 38.502 38.487 0.054 0.000 0.990 186 N HN 0.275 nan 8.380 nan 0.000 0.449 187 A N 0.762 123.650 122.820 0.112 0.000 1.933 187 A HA 0.005 4.330 4.320 0.008 0.000 0.218 187 A C 2.000 179.650 177.584 0.111 0.000 1.175 187 A CA 0.768 52.863 52.037 0.097 0.000 0.628 187 A CB -0.583 18.457 19.000 0.066 0.000 0.814 187 A HN 0.397 nan 8.150 nan 0.000 0.444 188 L N 0.223 121.485 121.223 0.066 0.000 2.551 188 L HA -0.040 4.305 4.340 0.008 0.000 0.228 188 L C 0.788 177.691 176.870 0.055 0.000 1.153 188 L CA 0.499 55.364 54.840 0.043 0.000 0.851 188 L CB -0.351 41.626 42.059 -0.137 0.000 0.959 188 L HN 0.463 nan 8.230 nan 0.000 0.451 189 E N 0.957 121.188 120.200 0.053 0.000 2.311 189 E HA 0.122 4.477 4.350 0.008 0.000 0.198 189 E C -0.231 176.377 176.600 0.013 0.000 1.115 189 E CA 0.123 56.533 56.400 0.018 0.000 1.140 189 E CB 0.109 29.822 29.700 0.022 0.000 1.204 189 E HN 0.326 nan 8.360 nan 0.000 0.446 190 K N 1.062 121.491 120.400 0.047 0.000 2.579 190 K HA 0.242 4.567 4.320 0.008 0.000 0.250 190 K C 0.706 177.365 176.600 0.098 0.000 0.952 190 K CA -0.481 55.839 56.287 0.055 0.000 0.857 190 K CB 1.976 34.515 32.500 0.064 0.000 1.123 190 K HN -0.192 nan 8.250 nan 0.000 0.433 191 K N 0.885 121.324 120.400 0.065 0.000 2.127 191 K HA -0.265 4.060 4.320 0.008 0.000 0.212 191 K C 1.962 178.638 176.600 0.127 0.000 1.050 191 K CA 2.516 58.852 56.287 0.081 0.000 0.929 191 K CB -0.005 32.525 32.500 0.050 0.000 0.715 191 K HN 0.646 nan 8.250 nan 0.000 0.457 192 S N 0.767 116.552 115.700 0.141 0.000 2.355 192 S HA -0.143 4.332 4.470 0.008 0.000 0.222 192 S C 1.675 176.349 174.600 0.124 0.000 1.031 192 S CA 1.413 59.699 58.200 0.142 0.000 0.993 192 S CB -0.298 63.029 63.200 0.211 0.000 0.859 192 S HN 0.255 nan 8.310 nan 0.000 0.453 193 N N 0.909 119.730 118.700 0.201 0.000 2.025 193 N HA -0.109 4.636 4.740 0.008 0.000 0.194 193 N C 1.500 176.992 175.510 -0.029 0.000 1.044 193 N CA 1.858 55.032 53.050 0.206 0.000 0.851 193 N CB -1.175 37.537 38.487 0.374 0.000 1.036 193 N HN 0.612 nan 8.380 nan 0.000 0.422 194 Y N 1.911 122.174 120.300 -0.062 0.000 2.102 194 Y HA -0.262 4.293 4.550 0.008 0.000 0.280 194 Y C 2.176 177.997 175.900 -0.132 0.000 1.178 194 Y CA 1.934 59.966 58.100 -0.114 0.000 1.146 194 Y CB -0.310 38.111 38.460 -0.065 0.000 0.968 194 Y HN 0.211 nan 8.280 nan 0.000 0.504 195 E N -0.746 119.466 120.200 0.020 0.000 2.070 195 E HA -0.260 4.095 4.350 0.008 0.000 0.197 195 E C 2.181 178.666 176.600 -0.191 0.000 1.004 195 E CA 2.063 58.427 56.400 -0.059 0.000 0.805 195 E CB -0.404 29.305 29.700 0.015 0.000 0.744 195 E HN 0.365 nan 8.360 nan 0.000 0.451 196 V N 1.627 121.401 119.914 -0.233 0.000 2.380 196 V HA -0.276 3.849 4.120 0.008 0.000 0.251 196 V C 2.276 178.124 176.094 -0.410 0.000 1.063 196 V CA 1.437 63.546 62.300 -0.319 0.000 1.055 196 V CB -0.481 31.097 31.823 -0.409 0.000 0.657 196 V HN 0.305 nan 8.190 nan 0.000 0.455 197 L N -0.274 120.635 121.223 -0.523 0.000 2.072 197 L HA -0.133 4.212 4.340 0.008 0.000 0.205 197 L C 2.646 179.343 176.870 -0.288 0.000 1.079 197 L CA 1.959 56.553 54.840 -0.411 0.000 0.752 197 L CB -0.692 41.090 42.059 -0.461 0.000 0.906 197 L HN 0.477 nan 8.230 nan 0.000 0.436 198 E N 0.830 120.794 120.200 -0.394 0.000 2.051 198 E HA -0.263 4.092 4.350 0.008 0.000 0.192 198 E C 1.897 178.407 176.600 -0.150 0.000 0.991 198 E CA 1.516 57.748 56.400 -0.281 0.000 0.799 198 E CB 0.226 29.766 29.700 -0.266 0.000 0.748 198 E HN 0.296 nan 8.360 nan 0.000 0.449 199 K N -1.193 119.124 120.400 -0.139 0.000 2.440 199 K HA 0.057 4.382 4.320 0.008 0.000 0.207 199 K C 0.616 177.169 176.600 -0.078 0.000 1.112 199 K CA 0.108 56.342 56.287 -0.087 0.000 1.036 199 K CB 0.767 33.229 32.500 -0.064 0.000 0.935 199 K HN 0.055 nan 8.250 nan 0.000 0.564 200 D N -0.566 119.773 120.400 -0.100 0.000 2.626 200 D HA 0.014 4.659 4.640 0.008 0.000 0.274 200 D C 1.562 177.821 176.300 -0.068 0.000 1.045 200 D CA 0.581 54.535 54.000 -0.078 0.000 0.925 200 D CB 0.770 41.517 40.800 -0.089 0.000 1.260 200 D HN -0.108 nan 8.370 nan 0.000 0.490 201 V N 0.553 120.414 119.914 -0.088 0.000 2.500 201 V HA 0.225 4.350 4.120 0.008 0.000 0.243 201 V C 0.987 177.037 176.094 -0.074 0.000 1.039 201 V CA 1.106 63.377 62.300 -0.048 0.000 1.053 201 V CB -0.224 31.600 31.823 0.001 0.000 0.695 201 V HN 0.411 nan 8.190 nan 0.000 0.463 202 G N 0.194 108.948 108.800 -0.077 0.000 3.439 202 G HA2 -0.150 3.815 3.960 0.008 0.000 0.684 202 G HA3 -0.150 3.815 3.960 0.008 0.000 0.684 202 G C 0.002 174.866 174.900 -0.061 0.000 1.005 202 G CA -0.089 44.964 45.100 -0.078 0.000 0.837 202 G HN 0.247 nan 8.290 nan 0.000 0.470 203 L N 2.553 123.794 121.223 0.031 0.000 2.353 203 L HA -0.110 4.235 4.340 0.008 0.000 0.220 203 L C 3.124 180.114 176.870 0.199 0.000 1.133 203 L CA 1.570 56.553 54.840 0.237 0.000 0.798 203 L CB -0.417 41.753 42.059 0.186 0.000 0.922 203 L HN 0.845 nan 8.230 nan 0.000 0.445 204 R N 0.609 121.125 120.500 0.027 0.000 2.170 204 R HA -0.210 4.135 4.340 0.008 0.000 0.242 204 R C 1.894 178.105 176.300 -0.150 0.000 1.145 204 R CA 1.323 57.408 56.100 -0.025 0.000 0.984 204 R CB -0.563 29.700 30.300 -0.061 0.000 0.869 204 R HN 0.169 nan 8.270 nan 0.000 0.455 205 R N -0.230 120.061 120.500 -0.349 0.000 2.341 205 R HA 0.025 4.370 4.340 0.008 0.000 0.213 205 R C 0.553 176.375 176.300 -0.796 0.000 1.082 205 R CA 1.262 56.971 56.100 -0.650 0.000 1.017 205 R CB -0.110 29.621 30.300 -0.949 0.000 0.860 205 R HN 0.439 nan 8.270 nan 0.000 0.473 206 F N -3.707 116.229 119.950 -0.023 0.000 2.912 206 F HA 0.341 4.873 4.527 0.008 0.000 0.357 206 F C -0.087 175.405 175.800 -0.513 0.000 1.003 206 F CA -0.687 57.169 58.000 -0.241 0.000 1.132 206 F CB 0.712 39.552 39.000 -0.267 0.000 1.055 206 F HN -0.246 nan 8.300 nan 0.000 0.572 207 F N 1.178 121.219 119.950 0.152 0.000 2.613 207 F HA 0.513 5.045 4.527 0.008 0.000 0.310 207 F C -2.525 173.277 175.800 0.003 0.000 1.085 207 F CA -2.584 55.479 58.000 0.106 0.000 0.945 207 F CB 1.592 40.669 39.000 0.128 0.000 1.298 207 F HN -0.380 nan 8.300 nan 0.000 0.455 208 P HA 0.120 nan 4.420 nan 0.000 0.274 208 P C 0.029 177.361 177.300 0.054 0.000 1.231 208 P CA -0.398 62.724 63.100 0.036 0.000 0.790 208 P CB 1.421 33.118 31.700 -0.005 0.000 0.951 209 K N 1.402 121.805 120.400 0.005 0.000 2.280 209 K HA -0.129 4.196 4.320 0.008 0.000 0.202 209 K C 1.906 178.510 176.600 0.007 0.000 1.047 209 K CA 1.776 58.064 56.287 0.002 0.000 0.942 209 K CB -0.239 32.249 32.500 -0.020 0.000 0.739 209 K HN 0.513 nan 8.250 nan 0.000 0.457 210 S N 0.856 116.561 115.700 0.009 0.000 2.356 210 S HA -0.200 4.275 4.470 0.008 0.000 0.223 210 S C 1.979 176.593 174.600 0.023 0.000 1.032 210 S CA 1.062 59.270 58.200 0.012 0.000 1.005 210 S CB -0.601 62.606 63.200 0.012 0.000 0.867 210 S HN 0.403 nan 8.310 nan 0.000 0.449 211 L N 1.064 122.314 121.223 0.044 0.000 1.988 211 L HA 0.015 4.360 4.340 0.008 0.000 0.207 211 L C 2.587 179.459 176.870 0.004 0.000 1.071 211 L CA 1.456 56.320 54.840 0.040 0.000 0.744 211 L CB -0.453 41.659 42.059 0.087 0.000 0.893 211 L HN 0.337 nan 8.230 nan 0.000 0.433 212 L N -0.226 121.000 121.223 0.004 0.000 2.081 212 L HA -0.290 4.055 4.340 0.008 0.000 0.212 212 L C 2.199 179.061 176.870 -0.012 0.000 1.080 212 L CA 1.368 56.197 54.840 -0.018 0.000 0.754 212 L CB -0.865 41.193 42.059 -0.001 0.000 0.893 212 L HN 0.369 nan 8.230 nan 0.000 0.433 213 D N -0.420 119.978 120.400 -0.004 0.000 2.123 213 D HA -0.108 4.536 4.640 0.008 0.000 0.200 213 D C 2.272 178.568 176.300 -0.005 0.000 0.976 213 D CA 1.686 55.683 54.000 -0.006 0.000 0.831 213 D CB -0.094 40.703 40.800 -0.005 0.000 0.974 213 D HN 0.350 nan 8.370 nan 0.000 0.469 214 S N -0.379 115.320 115.700 -0.003 0.000 2.631 214 S HA 0.184 4.659 4.470 0.008 0.000 0.217 214 S C 0.462 175.060 174.600 -0.004 0.000 0.958 214 S CA -0.508 57.691 58.200 -0.001 0.000 0.920 214 S CB 0.327 63.530 63.200 0.005 0.000 0.776 214 S HN 0.017 nan 8.310 nan 0.000 0.517 215 V N 1.044 120.953 119.914 -0.010 0.000 2.841 215 V HA 0.404 4.529 4.120 0.008 0.000 0.310 215 V C -0.952 175.133 176.094 -0.015 0.000 1.090 215 V CA -1.144 61.148 62.300 -0.014 0.000 0.930 215 V CB 2.045 33.857 31.823 -0.019 0.000 1.014 215 V HN 0.235 nan 8.190 nan 0.000 0.425 216 K N 3.522 123.914 120.400 -0.014 0.000 2.451 216 K HA 0.240 4.565 4.320 0.008 0.000 0.280 216 K C 1.226 177.818 176.600 -0.013 0.000 1.020 216 K CA 0.566 56.845 56.287 -0.012 0.000 1.008 216 K CB 1.377 33.869 32.500 -0.013 0.000 0.917 216 K HN 0.876 nan 8.250 nan 0.000 0.478 217 A N 5.005 127.823 122.820 -0.003 0.000 1.933 217 A HA -0.178 4.147 4.320 0.008 0.000 0.218 217 A C 1.699 179.289 177.584 0.010 0.000 1.175 217 A CA 1.389 53.434 52.037 0.014 0.000 0.628 217 A CB -0.120 18.898 19.000 0.030 0.000 0.814 217 A HN 0.754 nan 8.150 nan 0.000 0.444 218 K N -0.885 119.508 120.400 -0.012 0.000 2.097 218 K HA -0.089 4.236 4.320 0.008 0.000 0.205 218 K C 1.961 178.515 176.600 -0.077 0.000 1.050 218 K CA 1.674 57.936 56.287 -0.042 0.000 0.938 218 K CB -0.403 32.077 32.500 -0.032 0.000 0.718 218 K HN 0.460 nan 8.250 nan 0.000 0.442 219 T N 2.088 116.608 114.554 -0.056 0.000 2.857 219 T HA -0.083 4.272 4.350 0.008 0.000 0.266 219 T C 1.727 176.383 174.700 -0.074 0.000 1.048 219 T CA 0.591 62.654 62.100 -0.061 0.000 1.139 219 T CB -0.168 68.676 68.868 -0.039 0.000 0.874 219 T HN 0.059 nan 8.240 nan 0.000 0.455 220 L N 2.062 123.249 121.223 -0.059 0.000 2.043 220 L HA -0.072 4.273 4.340 0.008 0.000 0.212 220 L C 2.460 179.275 176.870 -0.091 0.000 1.075 220 L CA 1.752 56.557 54.840 -0.058 0.000 0.752 220 L CB -0.662 41.380 42.059 -0.030 0.000 0.891 220 L HN 0.084 nan 8.230 nan 0.000 0.432 221 R N -0.189 120.188 120.500 -0.205 0.000 2.096 221 R HA -0.223 4.122 4.340 0.008 0.000 0.240 221 R C 2.254 178.299 176.300 -0.424 0.000 1.139 221 R CA 2.012 57.703 56.100 -0.682 0.000 0.952 221 R CB -0.170 29.627 30.300 -0.840 0.000 0.854 221 R HN 0.456 nan 8.270 nan 0.000 0.436 222 K N 0.433 120.692 120.400 -0.235 0.000 1.969 222 K HA -0.158 4.167 4.320 0.008 0.000 0.216 222 K C 2.278 178.829 176.600 -0.082 0.000 1.048 222 K CA 1.903 58.107 56.287 -0.138 0.000 0.948 222 K CB -0.457 31.988 32.500 -0.091 0.000 0.726 222 K HN 0.145 nan 8.250 nan 0.000 0.442 223 L N 1.064 122.252 121.223 -0.058 0.000 2.085 223 L HA -0.304 4.041 4.340 0.008 0.000 0.218 223 L C 2.439 179.327 176.870 0.030 0.000 1.080 223 L CA 1.450 56.281 54.840 -0.014 0.000 0.776 223 L CB -0.663 41.384 42.059 -0.020 0.000 0.891 223 L HN 0.272 nan 8.230 nan 0.000 0.437 224 I N -1.000 119.586 120.570 0.026 0.000 2.133 224 I HA -0.299 3.876 4.170 0.008 0.000 0.238 224 I C 2.643 178.848 176.117 0.148 0.000 1.074 224 I CA 1.272 62.648 61.300 0.126 0.000 1.342 224 I CB -0.474 37.635 38.000 0.181 0.000 1.053 224 I HN 0.286 nan 8.210 nan 0.000 0.404 225 Q N 0.517 120.350 119.800 0.056 0.000 2.156 225 Q HA -0.317 4.028 4.340 0.008 0.000 0.211 225 Q C 2.233 178.308 176.000 0.124 0.000 0.995 225 Q CA 1.895 57.745 55.803 0.077 0.000 0.877 225 Q CB -0.301 28.426 28.738 -0.020 0.000 0.920 225 Q HN 0.595 nan 8.270 nan 0.000 0.416 226 Q N -0.265 119.574 119.800 0.066 0.000 1.965 226 Q HA -0.144 4.201 4.340 0.008 0.000 0.200 226 Q C 2.398 178.425 176.000 0.046 0.000 0.981 226 Q CA 1.860 57.687 55.803 0.040 0.000 0.834 226 Q CB -0.412 28.333 28.738 0.011 0.000 0.900 226 Q HN 0.556 nan 8.270 nan 0.000 0.426 227 T N -1.474 113.126 114.554 0.078 0.000 3.051 227 T HA -0.121 4.234 4.350 0.008 0.000 0.269 227 T C 1.399 176.140 174.700 0.069 0.000 1.127 227 T CA 0.555 62.683 62.100 0.048 0.000 1.107 227 T CB -0.258 68.691 68.868 0.133 0.000 0.898 227 T HN 0.181 nan 8.240 nan 0.000 0.517 228 F N 1.861 121.831 119.950 0.034 0.000 2.367 228 F HA 0.313 4.844 4.527 0.008 0.000 0.298 228 F C 2.344 178.140 175.800 -0.007 0.000 1.094 228 F CA -0.085 57.966 58.000 0.085 0.000 1.409 228 F CB -0.114 38.963 39.000 0.128 0.000 1.064 228 F HN 0.026 nan 8.300 nan 0.000 0.528 229 R N 0.462 120.942 120.500 -0.034 0.000 2.096 229 R HA -0.253 4.092 4.340 0.008 0.000 0.240 229 R C 2.363 178.493 176.300 -0.283 0.000 1.139 229 R CA 2.145 58.172 56.100 -0.121 0.000 0.952 229 R CB -0.887 29.375 30.300 -0.063 0.000 0.854 229 R HN 0.510 nan 8.270 nan 0.000 0.436 230 Q N -0.027 119.516 119.800 -0.429 0.000 2.297 230 Q HA -0.151 4.194 4.340 0.008 0.000 0.208 230 Q C 0.675 176.328 176.000 -0.580 0.000 0.981 230 Q CA 1.415 56.881 55.803 -0.562 0.000 0.876 230 Q CB -0.091 28.208 28.738 -0.731 0.000 0.921 230 Q HN 0.447 nan 8.270 nan 0.000 0.446 231 F N -0.004 119.792 119.950 -0.256 0.000 2.772 231 F HA 0.521 5.053 4.527 0.007 0.000 0.302 231 F C 1.729 177.246 175.800 -0.472 0.000 1.136 231 F CA -0.420 57.396 58.000 -0.306 0.000 1.322 231 F CB 0.343 39.180 39.000 -0.271 0.000 0.967 231 F HN 0.077 nan 8.300 nan 0.000 0.513 232 A N 0.787 123.418 122.820 -0.315 0.000 1.851 232 A HA -0.159 4.166 4.320 0.008 0.000 0.216 232 A C 1.351 178.869 177.584 -0.111 0.000 1.195 232 A CA 1.343 53.214 52.037 -0.277 0.000 0.622 232 A CB -0.406 18.510 19.000 -0.139 0.000 0.831 232 A HN 0.339 nan 8.150 nan 0.000 0.444 233 N N 0.180 118.847 118.700 -0.055 0.000 3.301 233 N HA 0.428 5.173 4.740 0.008 0.000 0.289 233 N C -1.628 173.883 175.510 0.002 0.000 1.343 233 N CA 0.081 53.123 53.050 -0.013 0.000 1.136 233 N CB 0.858 39.342 38.487 -0.006 0.000 1.402 233 N HN 0.168 nan 8.380 nan 0.000 0.516 234 L N 1.891 123.117 121.223 0.006 0.000 2.372 234 L HA 0.250 4.595 4.340 0.008 0.000 0.274 234 L C 0.393 177.269 176.870 0.010 0.000 0.988 234 L CA -0.752 54.096 54.840 0.014 0.000 0.833 234 L CB 1.620 43.693 42.059 0.024 0.000 1.236 234 L HN 0.354 nan 8.230 nan 0.000 0.410 235 N N 1.990 120.695 118.700 0.009 0.000 2.263 235 N HA 0.139 4.884 4.740 0.008 0.000 0.239 235 N C 0.891 176.392 175.510 -0.015 0.000 1.317 235 N CA -0.264 52.789 53.050 0.005 0.000 0.909 235 N CB 0.664 39.156 38.487 0.008 0.000 1.171 235 N HN 0.430 nan 8.380 nan 0.000 0.492 236 R N -0.605 119.881 120.500 -0.023 0.000 2.103 236 R HA -0.235 4.110 4.340 0.008 0.000 0.242 236 R C 1.927 178.175 176.300 -0.087 0.000 1.142 236 R CA 2.025 58.086 56.100 -0.065 0.000 0.960 236 R CB -0.445 29.822 30.300 -0.055 0.000 0.858 236 R HN 0.812 nan 8.270 nan 0.000 0.439 237 E N 0.943 121.120 120.200 -0.038 0.000 2.051 237 E HA -0.223 4.132 4.350 0.008 0.000 0.192 237 E C 1.624 178.218 176.600 -0.011 0.000 0.991 237 E CA 1.593 57.985 56.400 -0.014 0.000 0.799 237 E CB 0.142 29.854 29.700 0.020 0.000 0.748 237 E HN 0.392 nan 8.360 nan 0.000 0.449 238 E N -0.034 120.162 120.200 -0.007 0.000 2.150 238 E HA -0.112 4.243 4.350 0.008 0.000 0.193 238 E C 2.211 178.795 176.600 -0.027 0.000 0.985 238 E CA 1.029 57.432 56.400 0.005 0.000 0.814 238 E CB 0.058 29.767 29.700 0.014 0.000 0.752 238 E HN 0.121 nan 8.360 nan 0.000 0.466 239 S N 1.139 116.794 115.700 -0.074 0.000 2.359 239 S HA -0.173 4.301 4.470 0.008 0.000 0.224 239 S C 2.055 176.569 174.600 -0.143 0.000 1.035 239 S CA 0.983 59.102 58.200 -0.135 0.000 1.018 239 S CB -0.244 62.868 63.200 -0.147 0.000 0.876 239 S HN 0.216 nan 8.310 nan 0.000 0.448 240 I N 1.210 121.645 120.570 -0.224 0.000 2.208 240 I HA -0.196 3.979 4.170 0.008 0.000 0.245 240 I C 2.117 178.266 176.117 0.053 0.000 1.097 240 I CA 1.208 62.322 61.300 -0.309 0.000 1.363 240 I CB -0.374 37.408 38.000 -0.362 0.000 1.051 240 I HN 0.240 nan 8.210 nan 0.000 0.413 241 L N 0.137 121.442 121.223 0.137 0.000 2.072 241 L HA -0.174 4.171 4.340 0.008 0.000 0.205 241 L C 2.560 179.553 176.870 0.205 0.000 1.079 241 L CA 0.996 55.994 54.840 0.263 0.000 0.752 241 L CB -0.458 41.712 42.059 0.186 0.000 0.906 241 L HN 0.111 nan 8.230 nan 0.000 0.436 242 K N 0.276 120.725 120.400 0.082 0.000 2.097 242 K HA -0.206 4.119 4.320 0.008 0.000 0.206 242 K C 1.862 178.451 176.600 -0.019 0.000 1.049 242 K CA 1.382 57.678 56.287 0.015 0.000 0.933 242 K CB -0.486 31.961 32.500 -0.089 0.000 0.717 242 K HN 0.078 nan 8.250 nan 0.000 0.442 243 F N -0.119 119.730 119.950 -0.169 0.000 2.011 243 F HA -0.249 4.283 4.527 0.008 0.000 0.296 243 F C 1.745 177.471 175.800 -0.124 0.000 1.144 243 F CA 1.975 59.853 58.000 -0.205 0.000 1.185 243 F CB -0.545 38.343 39.000 -0.187 0.000 0.961 243 F HN 0.038 nan 8.300 nan 0.000 0.485 244 F N 0.679 120.840 119.950 0.351 0.000 2.063 244 F HA -0.308 4.224 4.527 0.008 0.000 0.298 244 F C 2.654 178.585 175.800 0.219 0.000 1.109 244 F CA 1.828 59.980 58.000 0.254 0.000 1.212 244 F CB -0.834 38.323 39.000 0.262 0.000 0.973 244 F HN 0.115 nan 8.300 nan 0.000 0.480 245 E N 0.638 121.051 120.200 0.355 0.000 2.114 245 E HA -0.274 4.081 4.350 0.008 0.000 0.199 245 E C 2.038 178.718 176.600 0.132 0.000 1.008 245 E CA 1.803 58.333 56.400 0.217 0.000 0.810 245 E CB -0.289 29.499 29.700 0.147 0.000 0.739 245 E HN 0.471 nan 8.360 nan 0.000 0.456 246 I N 0.052 120.641 120.570 0.032 0.000 2.716 246 I HA -0.153 4.022 4.170 0.008 0.000 0.259 246 I C 2.118 178.193 176.117 -0.071 0.000 1.172 246 I CA -0.004 61.270 61.300 -0.044 0.000 1.478 246 I CB 0.104 38.032 38.000 -0.120 0.000 1.104 246 I HN 0.199 nan 8.210 nan 0.000 0.439 247 L N -0.087 121.096 121.223 -0.067 0.000 2.034 247 L HA -0.132 4.213 4.340 0.008 0.000 0.203 247 L C 2.686 179.708 176.870 0.252 0.000 1.074 247 L CA 1.927 56.775 54.840 0.014 0.000 0.748 247 L CB -0.752 41.302 42.059 -0.008 0.000 0.905 247 L HN 0.210 nan 8.230 nan 0.000 0.439 248 S N -0.053 115.910 115.700 0.439 0.000 2.408 248 S HA -0.207 4.268 4.470 0.008 0.000 0.241 248 S C -0.214 174.422 174.600 0.060 0.000 1.080 248 S CA 2.378 60.703 58.200 0.209 0.000 1.109 248 S CB -1.503 61.786 63.200 0.148 0.000 0.966 248 S HN 0.409 nan 8.310 nan 0.000 0.449 249 P HA 0.041 nan 4.420 nan 0.000 0.221 249 P C 1.030 178.359 177.300 0.048 0.000 1.145 249 P CA 0.693 63.816 63.100 0.039 0.000 0.795 249 P CB 0.035 31.759 31.700 0.041 0.000 0.775 250 V N -3.036 116.933 119.914 0.091 0.000 3.252 250 V HA 0.303 4.428 4.120 0.008 0.000 0.320 250 V C -1.100 175.130 176.094 0.227 0.000 1.459 250 V CA -0.405 61.965 62.300 0.117 0.000 1.095 250 V CB -0.185 31.696 31.823 0.096 0.000 0.997 250 V HN -0.011 nan 8.190 nan 0.000 0.469 251 Y N 1.948 122.283 120.300 0.058 0.000 2.252 251 Y HA 0.392 4.947 4.550 0.008 0.000 0.318 251 Y C -0.055 175.874 175.900 0.048 0.000 1.220 251 Y CA -1.250 56.910 58.100 0.100 0.000 1.207 251 Y CB 0.856 39.431 38.460 0.191 0.000 1.244 251 Y HN 0.369 nan 8.280 nan 0.000 0.404 252 R N 4.273 124.591 120.500 -0.304 0.000 2.351 252 R HA 0.322 4.667 4.340 0.008 0.000 0.318 252 R C -0.585 175.516 176.300 -0.331 0.000 1.055 252 R CA 0.047 55.935 56.100 -0.353 0.000 0.968 252 R CB -0.160 29.977 30.300 -0.272 0.000 0.974 252 R HN 0.619 nan 8.270 nan 0.000 0.439 253 F N 0.115 120.077 119.950 0.020 0.000 2.746 253 F HA 0.262 4.795 4.527 0.008 0.000 0.320 253 F C 0.382 176.228 175.800 0.077 0.000 1.097 253 F CA -1.005 57.049 58.000 0.090 0.000 1.195 253 F CB 0.259 39.419 39.000 0.267 0.000 1.056 253 F HN 0.496 nan 8.300 nan 0.000 0.562 254 D N 1.655 121.957 120.400 -0.164 0.000 2.325 254 D HA 0.091 4.736 4.640 0.008 0.000 0.225 254 D C 0.138 176.399 176.300 -0.066 0.000 1.096 254 D CA 0.153 54.106 54.000 -0.078 0.000 0.844 254 D CB 0.194 40.971 40.800 -0.039 0.000 0.925 254 D HN 0.644 nan 8.370 nan 0.000 0.513 255 K N -0.996 119.369 120.400 -0.058 0.000 2.735 255 K HA 0.428 4.753 4.320 0.008 0.000 0.295 255 K C -1.621 174.937 176.600 -0.070 0.000 1.052 255 K CA -0.920 55.342 56.287 -0.043 0.000 0.853 255 K CB 1.276 33.745 32.500 -0.053 0.000 1.535 255 K HN -0.172 nan 8.250 nan 0.000 0.383 256 E N 0.201 120.359 120.200 -0.071 0.000 2.256 256 E HA 0.532 4.887 4.350 0.008 0.000 0.267 256 E C -1.327 175.072 176.600 -0.335 0.000 0.892 256 E CA -0.990 55.281 56.400 -0.215 0.000 0.775 256 E CB 2.293 31.888 29.700 -0.175 0.000 1.207 256 E HN 0.498 nan 8.360 nan 0.000 0.420 257 C N 2.007 120.964 119.300 -0.572 0.000 2.614 257 C HA 0.655 5.120 4.460 0.008 0.000 0.320 257 C C -1.260 173.212 174.990 -0.863 0.000 1.200 257 C CA -0.716 58.008 59.018 -0.489 0.000 1.700 257 C CB 0.090 27.696 27.740 -0.224 0.000 2.275 257 C HN 0.603 nan 8.230 nan 0.000 0.492 258 F N 1.235 121.193 119.950 0.013 0.000 2.585 258 F HA 0.420 4.952 4.527 0.008 0.000 0.319 258 F C 0.104 175.916 175.800 0.021 0.000 1.165 258 F CA -0.808 57.204 58.000 0.019 0.000 0.949 258 F CB 0.958 39.971 39.000 0.022 0.000 1.218 258 F HN 0.318 nan 8.300 nan 0.000 0.453 259 K N 3.009 123.502 120.400 0.156 0.000 2.368 259 K HA 0.600 4.925 4.320 0.008 0.000 0.282 259 K C -0.371 176.305 176.600 0.126 0.000 1.035 259 K CA -0.093 56.261 56.287 0.112 0.000 0.973 259 K CB 0.637 33.179 32.500 0.070 0.000 0.957 259 K HN 0.870 nan 8.250 nan 0.000 0.474 260 C N -0.926 118.431 119.300 0.095 0.000 3.211 260 C HA 0.785 5.250 4.460 0.008 0.000 0.350 260 C C -1.396 173.620 174.990 0.042 0.000 1.413 260 C CA -1.340 57.720 59.018 0.070 0.000 1.203 260 C CB 0.524 28.307 27.740 0.072 0.000 1.506 260 C HN 0.798 nan 8.230 nan 0.000 0.448 261 A N 0.732 123.567 122.820 0.025 0.000 2.342 261 A HA 0.824 5.149 4.320 0.008 0.000 0.323 261 A C -0.888 176.694 177.584 -0.004 0.000 1.125 261 A CA -0.554 51.489 52.037 0.010 0.000 0.785 261 A CB 0.687 19.694 19.000 0.012 0.000 1.221 261 A HN 0.993 nan 8.150 nan 0.000 0.463 262 L N 1.662 122.870 121.223 -0.026 0.000 2.375 262 L HA 0.775 5.120 4.340 0.008 0.000 0.268 262 L C 0.835 177.692 176.870 -0.022 0.000 1.058 262 L CA 0.114 54.932 54.840 -0.038 0.000 0.803 262 L CB 1.638 43.642 42.059 -0.092 0.000 1.212 262 L HN 1.247 nan 8.230 nan 0.000 0.451 263 G N 0.560 109.352 108.800 -0.013 0.000 2.555 263 G HA2 -0.149 3.816 3.960 0.008 0.000 0.686 263 G HA3 -0.149 3.816 3.960 0.008 0.000 0.686 263 G C 0.112 175.016 174.900 0.007 0.000 1.275 263 G CA -0.157 44.948 45.100 0.007 0.000 0.871 263 G HN 0.737 nan 8.290 nan 0.000 0.603 264 S N -1.418 114.290 115.700 0.013 0.000 2.497 264 S HA 0.481 4.956 4.470 0.008 0.000 0.221 264 S C 1.678 176.258 174.600 -0.033 0.000 1.037 264 S CA 1.548 59.746 58.200 -0.004 0.000 0.920 264 S CB 0.828 64.031 63.200 0.005 0.000 0.800 264 S HN 1.104 nan 8.310 nan 0.000 0.505 265 S N -0.544 115.135 115.700 -0.035 0.000 3.472 265 S HA 0.306 4.781 4.470 0.008 0.000 0.247 265 S C -1.010 173.438 174.600 -0.254 0.000 1.084 265 S CA -0.629 57.473 58.200 -0.163 0.000 0.795 265 S CB -0.194 62.892 63.200 -0.189 0.000 0.892 265 S HN 0.585 nan 8.310 nan 0.000 0.513 266 W N 3.188 124.479 121.300 -0.015 0.000 2.081 266 W HA 0.450 5.115 4.660 0.008 0.000 0.433 266 W C -0.414 176.090 176.519 -0.025 0.000 0.876 266 W CA -0.336 56.999 57.345 -0.018 0.000 1.631 266 W CB -0.472 28.977 29.460 -0.019 0.000 1.757 266 W HN 0.174 nan 8.180 nan 0.000 0.298 267 I N 4.710 125.331 120.570 0.086 0.000 2.662 267 I HA -0.022 4.153 4.170 0.008 0.000 0.285 267 I C 0.348 176.504 176.117 0.066 0.000 1.161 267 I CA -0.015 61.313 61.300 0.046 0.000 1.415 267 I CB 0.105 38.105 38.000 0.001 0.000 1.385 267 I HN 0.229 nan 8.210 nan 0.000 0.552 268 I N 5.428 126.019 120.570 0.035 0.000 2.569 268 I HA 0.384 4.559 4.170 0.008 0.000 0.296 268 I C -0.195 175.914 176.117 -0.013 0.000 1.028 268 I CA -0.079 61.231 61.300 0.016 0.000 1.082 268 I CB 2.120 40.121 38.000 0.001 0.000 1.264 268 I HN 0.428 nan 8.210 nan 0.000 0.429 269 S N 6.621 122.321 115.700 -0.001 0.000 2.489 269 S HA 0.761 5.236 4.470 0.008 0.000 0.277 269 S C -0.364 174.239 174.600 0.003 0.000 1.230 269 S CA 0.029 58.233 58.200 0.007 0.000 1.053 269 S CB 0.276 63.489 63.200 0.021 0.000 0.955 269 S HN 1.306 nan 8.310 nan 0.000 0.488 270 V N 2.081 122.004 119.914 0.016 0.000 3.159 270 V HA 0.693 4.818 4.120 0.008 0.000 0.308 270 V C -0.833 175.306 176.094 0.074 0.000 1.190 270 V CA -1.047 61.278 62.300 0.041 0.000 1.037 270 V CB 1.725 33.554 31.823 0.011 0.000 1.060 270 V HN 0.878 nan 8.190 nan 0.000 0.437 271 E N 1.482 121.740 120.200 0.097 0.000 2.156 271 E HA 0.562 4.917 4.350 0.008 0.000 0.279 271 E C -1.335 175.341 176.600 0.127 0.000 0.965 271 E CA -0.733 55.725 56.400 0.097 0.000 0.789 271 E CB 1.663 31.399 29.700 0.060 0.000 1.098 271 E HN 0.753 nan 8.360 nan 0.000 0.397 272 L N 3.079 124.397 121.223 0.157 0.000 2.312 272 L HA 0.523 4.868 4.340 0.008 0.000 0.281 272 L C -0.184 176.776 176.870 0.150 0.000 1.070 272 L CA -0.562 54.385 54.840 0.178 0.000 0.805 272 L CB 1.461 43.658 42.059 0.230 0.000 1.174 272 L HN 0.596 nan 8.230 nan 0.000 0.434 273 A N 5.744 128.619 122.820 0.091 0.000 2.318 273 A HA 0.772 5.097 4.320 0.008 0.000 0.324 273 A C -0.690 176.937 177.584 0.070 0.000 1.170 273 A CA -0.441 51.623 52.037 0.046 0.000 0.810 273 A CB 0.724 19.717 19.000 -0.011 0.000 1.198 273 A HN 0.657 nan 8.150 nan 0.000 0.484 274 I N 2.523 123.160 120.570 0.111 0.000 2.439 274 I HA 0.630 4.805 4.170 0.008 0.000 0.283 274 I C 0.468 176.628 176.117 0.070 0.000 1.023 274 I CA -0.135 61.248 61.300 0.138 0.000 1.100 274 I CB 2.058 40.217 38.000 0.265 0.000 1.238 274 I HN 0.819 nan 8.210 nan 0.000 0.445 275 G N 6.129 114.937 108.800 0.014 0.000 2.608 275 G HA2 0.427 4.392 3.960 0.008 0.000 0.291 275 G HA3 0.427 4.392 3.960 0.008 0.000 0.291 275 G C -2.741 172.140 174.900 -0.032 0.000 1.425 275 G CA -0.623 44.445 45.100 -0.054 0.000 0.787 275 G HN 0.241 nan 8.290 nan 0.000 0.484 276 P HA -0.038 nan 4.420 nan 0.000 0.216 276 P C 0.371 177.728 177.300 0.094 0.000 1.153 276 P CA 1.225 64.413 63.100 0.147 0.000 0.848 276 P CB 0.238 32.072 31.700 0.223 0.000 0.787 277 E N 0.798 121.035 120.200 0.062 0.000 2.674 277 E HA 0.140 4.495 4.350 0.008 0.000 0.240 277 E C 0.294 176.878 176.600 -0.026 0.000 1.213 277 E CA -0.100 56.308 56.400 0.013 0.000 1.357 277 E CB -0.037 29.673 29.700 0.016 0.000 1.467 277 E HN 0.530 nan 8.360 nan 0.000 0.448 278 E N -0.515 119.654 120.200 -0.052 0.000 1.237 278 E HA 0.049 4.404 4.350 0.008 0.000 0.205 278 E C 0.982 177.532 176.600 -0.084 0.000 0.979 278 E CA -0.064 56.313 56.400 -0.037 0.000 0.945 278 E CB -0.956 28.718 29.700 -0.043 0.000 4.739 278 E HN 0.313 nan 8.360 nan 0.000 0.646 279 G N 2.219 110.830 108.800 -0.315 0.000 2.550 279 G HA2 -0.314 3.651 3.960 0.008 0.000 0.277 279 G HA3 -0.314 3.651 3.960 0.008 0.000 0.277 279 G C -0.073 174.475 174.900 -0.586 0.000 1.190 279 G CA 0.170 44.740 45.100 -0.883 0.000 0.971 279 G HN 0.312 nan 8.290 nan 0.000 0.559 280 I N 1.578 121.811 120.570 -0.561 0.000 2.352 280 I HA 0.498 4.673 4.170 0.008 0.000 0.290 280 I C 0.222 176.186 176.117 -0.255 0.000 1.036 280 I CA 0.076 61.219 61.300 -0.261 0.000 1.336 280 I CB 1.371 39.262 38.000 -0.182 0.000 1.407 280 I HN 0.384 nan 8.210 nan 0.000 0.497 281 S N 4.977 120.607 115.700 -0.117 0.000 2.547 281 S HA 0.479 4.954 4.470 0.008 0.000 0.281 281 S C -0.969 173.636 174.600 0.008 0.000 1.118 281 S CA -0.659 57.476 58.200 -0.107 0.000 0.947 281 S CB 1.431 64.567 63.200 -0.108 0.000 1.053 281 S HN 0.481 nan 8.310 nan 0.000 0.482 282 Y N 2.130 122.402 120.300 -0.047 0.000 2.342 282 Y HA 0.827 5.382 4.550 0.008 0.000 0.334 282 Y C -0.813 175.078 175.900 -0.014 0.000 1.067 282 Y CA -1.367 56.721 58.100 -0.019 0.000 1.128 282 Y CB 0.484 38.935 38.460 -0.014 0.000 1.200 282 Y HN 0.536 nan 8.280 nan 0.000 0.464 283 L N 2.173 123.452 121.223 0.095 0.000 2.410 283 L HA 0.979 5.324 4.340 0.008 0.000 0.270 283 L C -1.089 175.852 176.870 0.117 0.000 0.983 283 L CA -0.606 54.251 54.840 0.028 0.000 0.822 283 L CB 2.434 44.480 42.059 -0.021 0.000 1.285 283 L HN 0.844 nan 8.230 nan 0.000 0.409 284 T N 0.409 115.033 114.554 0.116 0.000 3.917 284 T HA 0.502 4.857 4.350 0.008 0.000 0.205 284 T C -1.141 173.610 174.700 0.085 0.000 0.545 284 T CA -0.270 61.890 62.100 0.100 0.000 0.920 284 T CB -0.346 68.593 68.868 0.118 0.000 1.300 284 T HN 1.053 nan 8.240 nan 0.000 0.505 285 D N 0.673 121.101 120.400 0.047 0.000 4.243 285 D HA 0.377 5.022 4.640 0.008 0.000 0.333 285 D C 0.819 177.125 176.300 0.010 0.000 1.611 285 D CA -0.605 53.412 54.000 0.027 0.000 0.979 285 D CB 0.281 41.097 40.800 0.026 0.000 1.457 285 D HN 0.110 nan 8.370 nan 0.000 0.646 286 K N -0.311 120.092 120.400 0.005 0.000 2.056 286 K HA 0.227 4.552 4.320 0.008 0.000 0.205 286 K C 1.727 178.327 176.600 -0.000 0.000 1.035 286 K CA 1.105 57.396 56.287 0.006 0.000 0.955 286 K CB -0.413 32.090 32.500 0.005 0.000 0.769 286 K HN 0.452 nan 8.250 nan 0.000 0.447 287 G N 0.778 109.574 108.800 -0.006 0.000 2.632 287 G HA2 0.273 4.238 3.960 0.008 0.000 0.220 287 G HA3 0.273 4.238 3.960 0.008 0.000 0.220 287 G C 0.393 175.282 174.900 -0.018 0.000 1.439 287 G CA 0.797 45.889 45.100 -0.014 0.000 0.934 287 G HN 0.549 nan 8.290 nan 0.000 0.536 288 A N -0.206 122.603 122.820 -0.018 0.000 6.182 288 A HA -0.177 4.148 4.320 0.008 0.000 0.285 288 A C 0.111 177.674 177.584 -0.035 0.000 1.979 288 A CA 1.062 53.086 52.037 -0.023 0.000 0.740 288 A CB -1.597 17.393 19.000 -0.016 0.000 1.172 288 A HN 0.730 nan 8.150 nan 0.000 0.388 289 N N 1.946 120.620 118.700 -0.042 0.000 2.470 289 N HA 0.522 5.267 4.740 0.008 0.000 0.268 289 N C -2.389 173.068 175.510 -0.088 0.000 1.136 289 N CA -0.660 52.355 53.050 -0.060 0.000 0.961 289 N CB 0.287 38.739 38.487 -0.059 0.000 1.067 289 N HN 0.593 nan 8.380 nan 0.000 0.468 290 P HA 0.154 nan 4.420 nan 0.000 0.280 290 P C -0.675 176.504 177.300 -0.201 0.000 1.244 290 P CA -0.242 62.774 63.100 -0.140 0.000 0.784 290 P CB 0.621 32.261 31.700 -0.100 0.000 0.913 291 T N 2.311 116.634 114.554 -0.384 0.000 2.806 291 T HA 0.172 4.527 4.350 0.008 0.000 0.290 291 T C 0.011 174.494 174.700 -0.361 0.000 0.966 291 T CA -0.063 61.756 62.100 -0.469 0.000 1.060 291 T CB 0.149 68.452 68.868 -0.942 0.000 0.927 291 T HN 0.436 nan 8.240 nan 0.000 0.485 292 H N 2.043 120.962 119.070 -0.251 0.000 2.652 292 H HA 0.372 4.933 4.556 0.008 0.000 0.349 292 H C 0.333 175.599 175.328 -0.102 0.000 1.099 292 H CA -0.156 55.792 56.048 -0.168 0.000 1.417 292 H CB 0.449 30.130 29.762 -0.135 0.000 1.457 292 H HN 0.526 nan 8.280 nan 0.000 0.568 293 L N 2.934 123.738 121.223 -0.698 0.000 2.586 293 L HA 0.551 4.896 4.340 0.008 0.000 0.204 293 L C 0.123 176.712 176.870 -0.469 0.000 1.053 293 L CA 0.648 55.264 54.840 -0.372 0.000 0.856 293 L CB 0.355 42.328 42.059 -0.143 0.000 1.192 293 L HN 0.743 nan 8.230 nan 0.000 0.484 294 A N -1.319 121.047 122.820 -0.757 0.000 2.586 294 A HA 0.467 4.792 4.320 0.008 0.000 0.291 294 A C -1.939 175.428 177.584 -0.362 0.000 1.062 294 A CA -0.723 51.086 52.037 -0.381 0.000 0.666 294 A CB 1.014 19.901 19.000 -0.188 0.000 1.281 294 A HN -0.051 nan 8.150 nan 0.000 0.421 295 D N -0.119 120.215 120.400 -0.109 0.000 2.277 295 D HA 0.490 5.135 4.640 0.008 0.000 0.250 295 D C 0.551 176.697 176.300 -0.257 0.000 1.032 295 D CA -0.167 53.693 54.000 -0.233 0.000 0.947 295 D CB 0.878 41.635 40.800 -0.072 0.000 1.159 295 D HN 0.408 nan 8.370 nan 0.000 0.460 296 F N 0.771 120.688 119.950 -0.055 0.000 2.234 296 F HA -0.179 4.352 4.527 0.008 0.000 0.299 296 F C 2.070 177.808 175.800 -0.103 0.000 1.087 296 F CA 0.517 58.462 58.000 -0.092 0.000 1.340 296 F CB -0.345 38.608 39.000 -0.078 0.000 1.031 296 F HN 0.307 nan 8.300 nan 0.000 0.500 297 N N 0.349 119.105 118.700 0.092 0.000 2.571 297 N HA -0.145 4.600 4.740 0.008 0.000 0.189 297 N C 1.004 176.533 175.510 0.032 0.000 1.154 297 N CA 0.777 53.856 53.050 0.049 0.000 0.907 297 N CB -0.751 37.768 38.487 0.054 0.000 0.977 297 N HN 0.409 nan 8.380 nan 0.000 0.449 298 Q N -0.291 119.519 119.800 0.016 0.000 2.408 298 Q HA 0.182 4.527 4.340 0.008 0.000 0.205 298 Q C -0.299 175.716 176.000 0.025 0.000 0.919 298 Q CA 0.094 55.908 55.803 0.019 0.000 0.932 298 Q CB 0.840 29.581 28.738 0.005 0.000 1.058 298 Q HN 0.213 nan 8.270 nan 0.000 0.517 299 V N 2.665 122.585 119.914 0.010 0.000 2.397 299 V HA -0.042 4.083 4.120 0.008 0.000 0.262 299 V C 0.994 177.129 176.094 0.067 0.000 1.047 299 V CA 0.366 62.675 62.300 0.015 0.000 1.003 299 V CB 0.784 32.598 31.823 -0.014 0.000 1.037 299 V HN 0.293 nan 8.190 nan 0.000 0.480 300 Q N 2.781 122.645 119.800 0.107 0.000 1.916 300 Q HA -0.034 4.311 4.340 0.008 0.000 0.203 300 Q C 1.124 177.273 176.000 0.249 0.000 0.983 300 Q CA 1.873 57.777 55.803 0.169 0.000 0.846 300 Q CB 0.025 28.829 28.738 0.110 0.000 0.909 300 Q HN 0.900 nan 8.270 nan 0.000 0.427 301 T N -2.302 112.357 114.554 0.175 0.000 2.883 301 T HA 0.674 5.029 4.350 0.008 0.000 0.296 301 T C -0.836 173.955 174.700 0.151 0.000 1.117 301 T CA -0.935 61.280 62.100 0.192 0.000 1.006 301 T CB 1.168 70.115 68.868 0.130 0.000 1.191 301 T HN 0.120 nan 8.240 nan 0.000 0.508 302 I N 1.211 121.882 120.570 0.168 0.000 2.603 302 I HA 0.663 4.838 4.170 0.008 0.000 0.300 302 I C -0.392 175.808 176.117 0.139 0.000 1.017 302 I CA -0.845 60.549 61.300 0.158 0.000 1.098 302 I CB 2.240 40.355 38.000 0.192 0.000 1.279 302 I HN 0.752 nan 8.210 nan 0.000 0.437 303 Q N 4.408 124.289 119.800 0.135 0.000 2.353 303 Q HA 0.525 4.870 4.340 0.008 0.000 0.275 303 Q C -2.063 174.022 176.000 0.140 0.000 1.029 303 Q CA -0.737 55.101 55.803 0.058 0.000 0.848 303 Q CB 2.779 31.529 28.738 0.019 0.000 1.390 303 Q HN 0.582 nan 8.270 nan 0.000 0.401 304 Y N -0.501 119.832 120.300 0.055 0.000 2.571 304 Y HA 0.889 5.444 4.550 0.008 0.000 0.341 304 Y C -1.238 174.685 175.900 0.039 0.000 1.076 304 Y CA -0.634 57.495 58.100 0.049 0.000 1.029 304 Y CB 1.573 40.074 38.460 0.068 0.000 1.308 304 Y HN 0.655 nan 8.280 nan 0.000 0.461 305 S N 0.707 116.523 115.700 0.194 0.000 2.615 305 S HA 0.435 4.910 4.470 0.008 0.000 0.269 305 S C -1.784 172.892 174.600 0.127 0.000 1.161 305 S CA -1.298 56.961 58.200 0.098 0.000 0.817 305 S CB 1.410 64.619 63.200 0.015 0.000 1.131 305 S HN 0.880 nan 8.310 nan 0.000 0.467 306 N N 0.927 119.679 118.700 0.086 0.000 2.513 306 N HA 0.252 4.997 4.740 0.008 0.000 0.268 306 N C 0.004 175.543 175.510 0.048 0.000 1.180 306 N CA -0.011 53.082 53.050 0.071 0.000 0.948 306 N CB 0.695 39.213 38.487 0.052 0.000 1.083 306 N HN 0.706 nan 8.380 nan 0.000 0.455 307 S N 2.293 118.019 115.700 0.044 0.000 2.973 307 S HA -0.070 4.405 4.470 0.008 0.000 0.357 307 S C 1.124 175.735 174.600 0.017 0.000 1.159 307 S CA -0.226 57.990 58.200 0.027 0.000 1.423 307 S CB -0.063 63.152 63.200 0.024 0.000 1.115 307 S HN 0.502 nan 8.310 nan 0.000 0.563 308 E N 3.300 123.507 120.200 0.011 0.000 2.265 308 E HA -0.078 4.277 4.350 0.008 0.000 0.196 308 E C 0.752 177.351 176.600 -0.001 0.000 0.996 308 E CA 0.697 57.099 56.400 0.004 0.000 0.832 308 E CB -0.212 29.487 29.700 -0.001 0.000 0.756 308 E HN 0.826 nan 8.360 nan 0.000 0.491 309 D N 0.540 120.938 120.400 -0.003 0.000 2.346 309 D HA -0.054 4.591 4.640 0.008 0.000 0.249 309 D C 1.218 177.516 176.300 -0.003 0.000 1.308 309 D CA -0.361 53.634 54.000 -0.008 0.000 0.987 309 D CB 0.968 41.758 40.800 -0.016 0.000 1.114 309 D HN -0.163 nan 8.370 nan 0.000 0.529 310 K N 0.191 120.588 120.400 -0.006 0.000 2.020 310 K HA -0.242 4.083 4.320 0.008 0.000 0.212 310 K C 1.121 177.723 176.600 0.003 0.000 1.050 310 K CA 1.881 58.166 56.287 -0.003 0.000 0.929 310 K CB -0.330 32.167 32.500 -0.005 0.000 0.714 310 K HN 0.445 nan 8.250 nan 0.000 0.443 311 D N -0.648 119.755 120.400 0.005 0.000 1.685 311 D HA -0.147 4.498 4.640 0.008 0.000 0.313 311 D C 1.497 177.808 176.300 0.018 0.000 1.065 311 D CA 2.134 56.141 54.000 0.012 0.000 0.879 311 D CB 0.194 41.002 40.800 0.013 0.000 1.370 311 D HN 0.369 nan 8.370 nan 0.000 0.483 312 R N -1.607 118.907 120.500 0.024 0.000 2.283 312 R HA 0.053 4.398 4.340 0.008 0.000 0.138 312 R C -0.647 175.677 176.300 0.040 0.000 0.575 312 R CA -0.444 55.676 56.100 0.032 0.000 0.876 312 R CB -0.471 29.849 30.300 0.034 0.000 1.284 312 R HN 0.159 nan 8.270 nan 0.000 0.489 313 K N 1.557 121.978 120.400 0.035 0.000 2.336 313 K HA 0.319 4.644 4.320 0.008 0.000 0.262 313 K C 0.447 177.076 176.600 0.047 0.000 0.992 313 K CA 0.372 56.681 56.287 0.038 0.000 0.927 313 K CB 0.423 32.940 32.500 0.028 0.000 0.956 313 K HN 0.219 nan 8.250 nan 0.000 0.495 314 G N 1.056 109.885 108.800 0.048 0.000 2.372 314 G HA2 0.408 4.373 3.960 0.008 0.000 0.283 314 G HA3 0.408 4.373 3.960 0.008 0.000 0.283 314 G C -0.950 173.983 174.900 0.055 0.000 1.177 314 G CA -0.635 44.501 45.100 0.060 0.000 0.842 314 G HN 0.317 nan 8.290 nan 0.000 0.503 315 M N 1.885 121.533 119.600 0.080 0.000 2.227 315 M HA 0.559 5.044 4.480 0.008 0.000 0.335 315 M C -1.048 175.314 176.300 0.105 0.000 1.053 315 M CA -1.244 54.098 55.300 0.070 0.000 0.973 315 M CB 1.547 34.181 32.600 0.058 0.000 1.623 315 M HN 0.373 nan 8.290 nan 0.000 0.434 316 L N 4.695 125.964 121.223 0.076 0.000 2.409 316 L HA 0.567 4.912 4.340 0.008 0.000 0.272 316 L C -1.415 175.495 176.870 0.067 0.000 0.980 316 L CA 0.006 54.903 54.840 0.095 0.000 0.826 316 L CB 1.852 43.942 42.059 0.052 0.000 1.268 316 L HN 0.677 nan 8.230 nan 0.000 0.407 317 Q N 6.095 125.943 119.800 0.080 0.000 2.333 317 Q HA 0.598 4.943 4.340 0.008 0.000 0.267 317 Q C -1.496 174.543 176.000 0.064 0.000 1.012 317 Q CA -0.704 55.133 55.803 0.057 0.000 0.824 317 Q CB 2.786 31.552 28.738 0.047 0.000 1.290 317 Q HN 0.597 nan 8.270 nan 0.000 0.449 318 L N 2.298 123.550 121.223 0.049 0.000 2.342 318 L HA 0.473 4.818 4.340 0.008 0.000 0.276 318 L C -0.259 176.637 176.870 0.043 0.000 0.997 318 L CA -0.659 54.212 54.840 0.051 0.000 0.838 318 L CB 1.665 43.748 42.059 0.039 0.000 1.224 318 L HN 0.382 nan 8.230 nan 0.000 0.416 319 K N 2.856 123.288 120.400 0.053 0.000 2.322 319 K HA 0.531 4.856 4.320 0.008 0.000 0.283 319 K C -0.811 175.817 176.600 0.047 0.000 1.042 319 K CA -0.251 56.064 56.287 0.047 0.000 0.958 319 K CB 0.823 33.355 32.500 0.053 0.000 0.984 319 K HN 0.374 nan 8.250 nan 0.000 0.473 320 I N 2.274 122.865 120.570 0.035 0.000 3.067 320 I HA 0.244 4.419 4.170 0.008 0.000 0.312 320 I C -0.449 175.687 176.117 0.031 0.000 1.073 320 I CA -0.671 60.646 61.300 0.029 0.000 1.016 320 I CB 1.772 39.778 38.000 0.011 0.000 1.227 320 I HN 0.698 nan 8.210 nan 0.000 0.456 321 A N 3.193 126.031 122.820 0.030 0.000 2.504 321 A HA 0.339 4.664 4.320 0.008 0.000 0.280 321 A C 1.439 179.039 177.584 0.026 0.000 1.125 321 A CA 1.082 53.137 52.037 0.030 0.000 0.873 321 A CB -1.678 17.338 19.000 0.027 0.000 0.997 321 A HN 1.473 nan 8.150 nan 0.000 0.542 322 G N 1.752 110.568 108.800 0.027 0.000 2.377 322 G HA2 0.000 3.965 3.960 0.008 0.000 0.250 322 G HA3 0.000 3.965 3.960 0.008 0.000 0.250 322 G C 0.829 175.741 174.900 0.021 0.000 1.039 322 G CA 0.691 45.805 45.100 0.023 0.000 0.625 322 G HN 2.363 nan 8.290 nan 0.000 0.526 323 A N 1.287 124.119 122.820 0.020 0.000 2.545 323 A HA 0.537 4.862 4.320 0.008 0.000 0.253 323 A C -0.189 177.407 177.584 0.020 0.000 1.074 323 A CA 0.455 52.504 52.037 0.019 0.000 0.760 323 A CB 0.344 19.354 19.000 0.018 0.000 1.005 323 A HN 0.259 nan 8.150 nan 0.000 0.506 324 P HA 0.038 nan 4.420 nan 0.000 0.227 324 P C -0.316 176.996 177.300 0.019 0.000 1.161 324 P CA 0.922 64.033 63.100 0.019 0.000 0.788 324 P CB 0.237 31.947 31.700 0.017 0.000 0.822 325 E N 1.067 121.279 120.200 0.019 0.000 2.175 325 E HA 0.302 4.657 4.350 0.008 0.000 0.278 325 E C -2.243 174.368 176.600 0.019 0.000 0.969 325 E CA -2.708 53.703 56.400 0.019 0.000 0.796 325 E CB -0.536 29.175 29.700 0.019 0.000 1.104 325 E HN 0.161 nan 8.360 nan 0.000 0.395 326 P HA -0.015 nan 4.420 nan 0.000 0.268 326 P C -0.583 176.728 177.300 0.018 0.000 1.205 326 P CA -0.594 62.519 63.100 0.022 0.000 0.771 326 P CB 0.542 32.256 31.700 0.024 0.000 0.858 327 L N 3.489 124.721 121.223 0.016 0.000 2.433 327 L HA 0.226 4.571 4.340 0.008 0.000 0.275 327 L C -0.252 176.625 176.870 0.013 0.000 1.128 327 L CA 0.830 55.676 54.840 0.010 0.000 0.875 327 L CB -0.325 41.736 42.059 0.003 0.000 1.171 327 L HN 0.277 nan 8.230 nan 0.000 0.463 328 T N 5.297 119.856 114.554 0.008 0.000 2.758 328 T HA 0.586 4.941 4.350 0.008 0.000 0.285 328 T C -0.465 174.238 174.700 0.005 0.000 0.981 328 T CA -0.375 61.732 62.100 0.011 0.000 0.965 328 T CB 1.140 70.013 68.868 0.009 0.000 0.927 328 T HN 0.389 nan 8.240 nan 0.000 0.448 329 V N 3.647 123.566 119.914 0.009 0.000 2.555 329 V HA 0.536 4.661 4.120 0.008 0.000 0.302 329 V C 0.184 176.283 176.094 0.008 0.000 1.038 329 V CA -0.795 61.506 62.300 0.003 0.000 0.887 329 V CB 2.111 33.928 31.823 -0.009 0.000 0.991 329 V HN 0.910 nan 8.190 nan 0.000 0.434 330 T N 4.071 118.629 114.554 0.008 0.000 2.770 330 T HA 0.721 5.076 4.350 0.008 0.000 0.283 330 T C -0.043 174.667 174.700 0.016 0.000 0.988 330 T CA -0.243 61.865 62.100 0.013 0.000 0.957 330 T CB 1.444 70.318 68.868 0.011 0.000 0.930 330 T HN 0.939 nan 8.240 nan 0.000 0.443 331 A N 4.641 127.472 122.820 0.017 0.000 2.340 331 A HA 0.742 5.067 4.320 0.008 0.000 0.331 331 A C -1.823 175.783 177.584 0.037 0.000 1.140 331 A CA -2.047 50.003 52.037 0.022 0.000 0.801 331 A CB 0.864 19.860 19.000 -0.006 0.000 1.234 331 A HN 0.462 nan 8.150 nan 0.000 0.469 332 P HA -0.115 nan 4.420 nan 0.000 0.217 332 P C 0.464 177.793 177.300 0.049 0.000 1.148 332 P CA 2.084 65.213 63.100 0.049 0.000 0.834 332 P CB 0.166 31.902 31.700 0.059 0.000 0.783 333 S N -3.121 112.611 115.700 0.054 0.000 2.588 333 S HA 0.314 4.789 4.470 0.008 0.000 0.275 333 S C 0.398 175.034 174.600 0.061 0.000 1.130 333 S CA -0.838 57.398 58.200 0.060 0.000 0.855 333 S CB 0.976 64.217 63.200 0.068 0.000 1.116 333 S HN -0.088 nan 8.310 nan 0.000 0.472 334 L N 1.819 123.088 121.223 0.075 0.000 2.191 334 L HA 0.087 4.432 4.340 0.008 0.000 0.212 334 L C 2.148 179.067 176.870 0.083 0.000 1.103 334 L CA 2.264 57.156 54.840 0.088 0.000 0.769 334 L CB -1.107 41.016 42.059 0.107 0.000 0.908 334 L HN 0.945 nan 8.230 nan 0.000 0.438 335 T N -0.063 114.551 114.554 0.100 0.000 2.668 335 T HA -0.111 4.244 4.350 0.008 0.000 0.262 335 T C 1.929 176.666 174.700 0.062 0.000 1.045 335 T CA 1.917 64.085 62.100 0.113 0.000 1.152 335 T CB -0.250 68.683 68.868 0.107 0.000 0.864 335 T HN 0.305 nan 8.240 nan 0.000 0.419 336 I N 1.548 122.150 120.570 0.053 0.000 2.145 336 I HA -0.296 3.879 4.170 0.008 0.000 0.244 336 I C 2.951 179.028 176.117 -0.066 0.000 1.075 336 I CA 1.428 62.751 61.300 0.038 0.000 1.332 336 I CB -0.683 37.361 38.000 0.072 0.000 1.033 336 I HN 0.220 nan 8.210 nan 0.000 0.410 337 A N 0.510 123.294 122.820 -0.060 0.000 1.903 337 A HA -0.297 4.028 4.320 0.008 0.000 0.219 337 A C 2.208 179.652 177.584 -0.234 0.000 1.191 337 A CA 2.258 54.229 52.037 -0.110 0.000 0.638 337 A CB -0.789 18.199 19.000 -0.020 0.000 0.823 337 A HN 0.510 nan 8.150 nan 0.000 0.451 338 E N -0.486 119.563 120.200 -0.252 0.000 2.077 338 E HA -0.201 4.154 4.350 0.008 0.000 0.193 338 E C 1.886 178.435 176.600 -0.085 0.000 0.989 338 E CA 1.241 57.442 56.400 -0.332 0.000 0.800 338 E CB -0.223 29.439 29.700 -0.064 0.000 0.746 338 E HN 0.594 nan 8.360 nan 0.000 0.452 339 N N 0.308 119.016 118.700 0.014 0.000 2.166 339 N HA -0.123 4.622 4.740 0.008 0.000 0.186 339 N C 1.675 177.104 175.510 -0.136 0.000 1.019 339 N CA 1.129 54.227 53.050 0.081 0.000 0.856 339 N CB -0.095 38.537 38.487 0.242 0.000 0.993 339 N HN 0.182 nan 8.380 nan 0.000 0.426 340 M N -0.072 119.358 119.600 -0.284 0.000 2.200 340 M HA 0.023 4.508 4.480 0.008 0.000 0.265 340 M C 2.098 178.263 176.300 -0.225 0.000 1.066 340 M CA 1.022 56.071 55.300 -0.419 0.000 1.127 340 M CB -0.114 32.138 32.600 -0.580 0.000 1.379 340 M HN 0.152 nan 8.290 nan 0.000 0.420 341 A N 0.321 123.030 122.820 -0.186 0.000 1.877 341 A HA -0.240 4.085 4.320 0.008 0.000 0.216 341 A C 1.737 179.227 177.584 -0.156 0.000 1.186 341 A CA 2.325 54.306 52.037 -0.093 0.000 0.620 341 A CB -0.919 18.069 19.000 -0.019 0.000 0.822 341 A HN 0.475 nan 8.150 nan 0.000 0.443 342 D N -0.703 119.511 120.400 -0.311 0.000 2.123 342 D HA -0.165 4.480 4.640 0.008 0.000 0.196 342 D C 1.737 177.946 176.300 -0.152 0.000 0.992 342 D CA 1.312 55.098 54.000 -0.356 0.000 0.833 342 D CB -0.204 40.404 40.800 -0.321 0.000 0.954 342 D HN 0.210 nan 8.370 nan 0.000 0.455 343 L N 0.489 121.627 121.223 -0.142 0.000 1.989 343 L HA -0.099 4.246 4.340 0.008 0.000 0.211 343 L C 2.279 179.192 176.870 0.073 0.000 1.071 343 L CA 1.631 56.464 54.840 -0.011 0.000 0.749 343 L CB -0.743 41.314 42.059 -0.002 0.000 0.890 343 L HN 0.221 nan 8.230 nan 0.000 0.431 344 I N -0.883 119.697 120.570 0.016 0.000 2.252 344 I HA -0.257 3.918 4.170 0.008 0.000 0.245 344 I C 2.212 178.282 176.117 -0.078 0.000 1.102 344 I CA 1.364 62.679 61.300 0.025 0.000 1.385 344 I CB -0.490 37.548 38.000 0.064 0.000 1.064 344 I HN 0.328 nan 8.210 nan 0.000 0.414 345 D N 1.250 121.600 120.400 -0.083 0.000 2.103 345 D HA -0.176 4.469 4.640 0.008 0.000 0.190 345 D C 2.210 178.355 176.300 -0.259 0.000 0.997 345 D CA 1.924 55.865 54.000 -0.097 0.000 0.833 345 D CB -0.511 40.276 40.800 -0.022 0.000 0.961 345 D HN 0.265 nan 8.370 nan 0.000 0.447 346 G N -0.981 107.544 108.800 -0.459 0.000 2.574 346 G HA2 -0.355 3.610 3.960 0.008 0.000 0.220 346 G HA3 -0.355 3.610 3.960 0.008 0.000 0.220 346 G C 1.685 176.091 174.900 -0.824 0.000 1.173 346 G CA 1.385 45.809 45.100 -1.126 0.000 0.772 346 G HN 0.404 nan 8.290 nan 0.000 0.585 347 Y N 0.173 120.147 120.300 -0.543 0.000 2.145 347 Y HA -0.194 4.360 4.550 0.008 0.000 0.286 347 Y C 3.321 178.939 175.900 -0.470 0.000 1.145 347 Y CA 1.142 58.859 58.100 -0.638 0.000 1.148 347 Y CB -0.486 37.108 38.460 -1.443 0.000 0.981 347 Y HN 0.268 nan 8.280 nan 0.000 0.507 348 C N -0.397 118.716 119.300 -0.311 0.000 2.413 348 C HA -0.191 4.274 4.460 0.008 0.000 0.276 348 C C 2.713 177.521 174.990 -0.304 0.000 1.236 348 C CA 0.913 59.658 59.018 -0.455 0.000 1.735 348 C CB -1.025 26.043 27.740 -1.120 0.000 2.031 348 C HN 0.447 nan 8.230 nan 0.000 0.474 349 R N 0.509 120.909 120.500 -0.167 0.000 2.241 349 R HA -0.095 4.250 4.340 0.008 0.000 0.224 349 R C 1.872 178.162 176.300 -0.017 0.000 1.101 349 R CA 1.087 57.236 56.100 0.082 0.000 0.995 349 R CB -0.359 29.961 30.300 0.033 0.000 0.870 349 R HN 0.600 nan 8.270 nan 0.000 0.463 350 L N -0.528 120.632 121.223 -0.104 0.000 2.189 350 L HA -0.007 4.338 4.340 0.008 0.000 0.199 350 L C 2.100 178.976 176.870 0.010 0.000 1.074 350 L CA 0.684 55.485 54.840 -0.064 0.000 0.783 350 L CB -0.219 41.766 42.059 -0.123 0.000 0.955 350 L HN -0.180 nan 8.230 nan 0.000 0.460 351 V N 0.695 120.625 119.914 0.026 0.000 2.287 351 V HA -0.234 3.891 4.120 0.008 0.000 0.248 351 V C 0.895 177.030 176.094 0.068 0.000 1.053 351 V CA 1.356 63.700 62.300 0.074 0.000 1.027 351 V CB -0.826 31.071 31.823 0.124 0.000 0.646 351 V HN 0.468 nan 8.190 nan 0.000 0.447 352 N N 0.813 119.556 118.700 0.072 0.000 2.529 352 N HA 0.202 4.947 4.740 0.008 0.000 0.278 352 N C 0.473 176.040 175.510 0.096 0.000 1.146 352 N CA 0.464 53.578 53.050 0.107 0.000 0.980 352 N CB 1.240 39.845 38.487 0.197 0.000 1.124 352 N HN 0.346 nan 8.380 nan 0.000 0.458 353 G N 0.294 109.142 108.800 0.079 0.000 3.008 353 G HA2 0.377 4.342 3.960 0.008 0.000 0.272 353 G HA3 0.377 4.342 3.960 0.008 0.000 0.272 353 G C -0.055 174.885 174.900 0.065 0.000 0.764 353 G CA -0.290 44.847 45.100 0.061 0.000 2.029 353 G HN 0.615 nan 8.290 nan 0.000 0.587 354 A N 1.294 124.165 122.820 0.085 0.000 2.330 354 A HA 0.830 5.155 4.320 0.008 0.000 0.329 354 A C 1.055 178.672 177.584 0.055 0.000 1.135 354 A CA 0.112 52.203 52.037 0.089 0.000 0.817 354 A CB 1.493 20.609 19.000 0.193 0.000 1.269 354 A HN 0.614 nan 8.150 nan 0.000 0.469 355 T N -2.223 112.346 114.554 0.024 0.000 3.019 355 T HA 0.178 4.533 4.350 0.008 0.000 0.247 355 T C 0.658 175.359 174.700 0.000 0.000 0.992 355 T CA 0.544 62.651 62.100 0.012 0.000 1.036 355 T CB -0.325 68.547 68.868 0.005 0.000 1.063 355 T HN 0.727 nan 8.240 nan 0.000 0.476 356 Q N 2.164 121.944 119.800 -0.033 0.000 2.318 356 Q HA 0.704 5.049 4.340 0.008 0.000 0.222 356 Q C 0.207 176.163 176.000 -0.072 0.000 1.003 356 Q CA -0.827 54.942 55.803 -0.056 0.000 0.936 356 Q CB 0.170 28.855 28.738 -0.089 0.000 1.204 356 Q HN 0.171 nan 8.270 nan 0.000 0.524 357 S N -1.056 114.615 115.700 -0.047 0.000 2.645 357 S HA 0.472 4.947 4.470 0.008 0.000 0.266 357 S C -0.440 174.103 174.600 -0.095 0.000 1.258 357 S CA -0.602 57.617 58.200 0.030 0.000 0.990 357 S CB 0.065 63.318 63.200 0.089 0.000 0.967 357 S HN 0.507 nan 8.310 nan 0.000 0.556 358 F N 0.813 120.781 119.950 0.031 0.000 2.683 358 F HA 0.478 5.010 4.527 0.008 0.000 0.306 358 F C -0.098 175.737 175.800 0.058 0.000 1.102 358 F CA -0.189 57.834 58.000 0.038 0.000 1.244 358 F CB 0.342 39.363 39.000 0.035 0.000 1.029 358 F HN 0.276 nan 8.300 nan 0.000 0.545 359 I N 2.433 123.128 120.570 0.210 0.000 2.307 359 I HA 0.224 4.399 4.170 0.008 0.000 0.289 359 I C 0.041 176.214 176.117 0.093 0.000 1.021 359 I CA -1.163 60.248 61.300 0.185 0.000 1.224 359 I CB 0.819 38.979 38.000 0.267 0.000 1.376 359 I HN -0.042 nan 8.210 nan 0.000 0.470 360 I N 5.774 126.378 120.570 0.057 0.000 2.618 360 I HA 0.187 4.362 4.170 0.008 0.000 0.284 360 I C 0.493 176.594 176.117 -0.027 0.000 1.146 360 I CA 0.127 61.433 61.300 0.009 0.000 1.425 360 I CB 0.374 38.376 38.000 0.004 0.000 1.383 360 I HN 0.599 nan 8.210 nan 0.000 0.562 361 R N 5.916 126.400 120.500 -0.027 0.000 2.308 361 R HA 0.629 4.974 4.340 0.008 0.000 0.305 361 R C -1.968 174.297 176.300 -0.059 0.000 1.053 361 R CA -1.451 54.622 56.100 -0.045 0.000 0.957 361 R CB -0.657 29.630 30.300 -0.023 0.000 1.022 361 R HN 0.566 nan 8.270 nan 0.000 0.461 395 D N 1.390 121.812 120.400 0.036 0.000 2.368 395 D HA 0.088 4.733 4.640 0.008 0.000 0.305 395 D C 0.638 177.007 176.300 0.116 0.000 1.143 395 D CA 0.271 54.300 54.000 0.049 0.000 0.847 395 D CB -0.290 40.521 40.800 0.020 0.000 1.357 395 D HN 0.601 nan 8.370 nan 0.000 0.526 396 D N 0.926 121.387 120.400 0.102 0.000 2.370 396 D HA -0.100 4.545 4.640 0.008 0.000 0.256 396 D C 0.669 177.045 176.300 0.127 0.000 1.197 396 D CA -0.536 53.528 54.000 0.107 0.000 0.922 396 D CB -1.610 39.232 40.800 0.070 0.000 0.911 396 D HN 0.411 nan 8.370 nan 0.000 0.517 397 Y N 1.371 121.673 120.300 0.003 0.000 2.987 397 Y HA 0.158 4.713 4.550 0.008 0.000 0.339 397 Y C -0.428 175.479 175.900 0.011 0.000 1.272 397 Y CA -0.234 57.865 58.100 -0.001 0.000 1.562 397 Y CB 0.512 38.963 38.460 -0.015 0.000 1.253 397 Y HN 0.132 nan 8.280 nan 0.000 0.604 398 A N 6.549 129.083 122.820 -0.478 0.000 2.984 398 A HA 0.299 4.624 4.320 0.008 0.000 0.320 398 A C -0.647 176.663 177.584 -0.458 0.000 1.142 398 A CA -0.688 51.076 52.037 -0.454 0.000 0.772 398 A CB 0.061 18.959 19.000 -0.169 0.000 1.195 398 A HN 0.856 nan 8.150 nan 0.000 0.459 399 E N 1.575 121.363 120.200 -0.687 0.000 2.313 399 E HA 0.474 4.829 4.350 0.008 0.000 0.272 399 E C -0.578 175.911 176.600 -0.185 0.000 1.038 399 E CA -0.656 55.535 56.400 -0.347 0.000 0.863 399 E CB 0.655 30.210 29.700 -0.242 0.000 1.060 399 E HN 0.637 nan 8.360 nan 0.000 0.402 400 I N 3.837 124.341 120.570 -0.111 0.000 2.297 400 I HA 0.332 4.507 4.170 0.008 0.000 0.291 400 I C -0.073 176.017 176.117 -0.046 0.000 1.033 400 I CA -0.355 60.901 61.300 -0.073 0.000 1.253 400 I CB 0.303 38.259 38.000 -0.073 0.000 1.396 400 I HN 0.355 nan 8.210 nan 0.000 0.476 401 I N 2.549 123.101 120.570 -0.031 0.000 3.237 401 I HA 0.900 5.075 4.170 0.008 0.000 0.308 401 I C -1.451 174.660 176.117 -0.008 0.000 1.093 401 I CA -0.751 60.541 61.300 -0.013 0.000 1.001 401 I CB 2.321 40.321 38.000 -0.000 0.000 1.245 401 I HN 0.571 nan 8.210 nan 0.000 0.485 402 D N 0.767 121.165 120.400 -0.002 0.000 2.736 402 D HA 0.238 4.883 4.640 0.008 0.000 0.243 402 D C -0.574 175.729 176.300 0.004 0.000 1.304 402 D CA -0.578 53.423 54.000 0.001 0.000 0.934 402 D CB 1.099 41.902 40.800 0.005 0.000 1.382 402 D HN 0.908 nan 8.370 nan 0.000 0.571 413 R N 2.836 123.217 120.500 -0.198 0.000 2.548 413 R HA 0.512 4.857 4.340 0.008 0.000 0.280 413 R C 0.031 176.152 176.300 -0.298 0.000 1.061 413 R CA -0.851 54.986 56.100 -0.437 0.000 0.915 413 R CB 1.123 30.876 30.300 -0.911 0.000 1.210 413 R HN 0.563 nan 8.270 nan 0.000 0.442 414 D N 2.135 122.430 120.400 -0.175 0.000 1.821 414 D HA -0.129 4.516 4.640 0.008 0.000 0.307 414 D C 0.655 176.851 176.300 -0.174 0.000 1.054 414 D CA 0.721 54.684 54.000 -0.063 0.000 0.832 414 D CB -0.457 40.401 40.800 0.096 0.000 1.150 414 D HN 0.754 nan 8.370 nan 0.000 0.407 415 Y N 0.363 120.659 120.300 -0.007 0.000 2.836 415 Y HA -0.222 4.333 4.550 0.008 0.000 0.229 415 Y C -0.294 175.600 175.900 -0.010 0.000 1.038 415 Y CA 0.124 58.218 58.100 -0.011 0.000 1.060 415 Y CB -1.748 36.695 38.460 -0.027 0.000 1.054 415 Y HN -0.069 nan 8.280 nan 0.000 0.586 416 E N 1.399 121.541 120.200 -0.098 0.000 2.313 416 E HA 0.603 4.958 4.350 0.008 0.000 0.272 416 E C -0.034 176.572 176.600 0.010 0.000 1.038 416 E CA -0.743 55.610 56.400 -0.078 0.000 0.863 416 E CB 1.852 31.497 29.700 -0.092 0.000 1.060 416 E HN 0.516 nan 8.360 nan 0.000 0.402 417 I N 2.197 122.777 120.570 0.016 0.000 2.533 417 I HA 0.109 4.284 4.170 0.008 0.000 0.290 417 I C -0.402 175.751 176.117 0.059 0.000 1.056 417 I CA -0.805 60.527 61.300 0.054 0.000 1.057 417 I CB 2.043 40.017 38.000 -0.043 0.000 1.240 417 I HN 0.215 nan 8.210 nan 0.000 0.423 418 Q N 3.996 123.853 119.800 0.095 0.000 2.314 418 Q HA 0.264 4.609 4.340 0.008 0.000 0.258 418 Q C 1.015 177.062 176.000 0.079 0.000 0.954 418 Q CA -0.081 55.758 55.803 0.059 0.000 0.890 418 Q CB 1.261 30.031 28.738 0.053 0.000 1.210 418 Q HN 0.392 nan 8.270 nan 0.000 0.410 419 R N 1.798 122.301 120.500 0.006 0.000 2.120 419 R HA -0.186 4.159 4.340 0.008 0.000 0.234 419 R C 0.603 176.943 176.300 0.066 0.000 1.123 419 R CA 1.516 57.610 56.100 -0.010 0.000 0.975 419 R CB 0.320 30.487 30.300 -0.222 0.000 0.866 419 R HN 0.697 nan 8.270 nan 0.000 0.446 420 E N -0.174 120.052 120.200 0.042 0.000 2.401 420 E HA -0.132 4.223 4.350 0.008 0.000 0.199 420 E C 1.074 177.729 176.600 0.092 0.000 1.023 420 E CA 0.751 57.183 56.400 0.054 0.000 0.859 420 E CB 0.020 29.736 29.700 0.027 0.000 0.780 420 E HN 0.230 nan 8.360 nan 0.000 0.523 421 R N 0.424 121.011 120.500 0.145 0.000 2.427 421 R HA 0.209 4.554 4.340 0.008 0.000 0.262 421 R C -0.233 176.242 176.300 0.290 0.000 0.943 421 R CA 0.023 56.233 56.100 0.183 0.000 1.081 421 R CB 0.581 31.015 30.300 0.222 0.000 1.166 421 R HN 0.115 nan 8.270 nan 0.000 0.534 422 I N 1.423 122.152 120.570 0.265 0.000 2.418 422 I HA 0.226 4.401 4.170 0.008 0.000 0.287 422 I C -0.126 176.121 176.117 0.217 0.000 1.008 422 I CA -0.604 60.870 61.300 0.290 0.000 1.104 422 I CB 1.978 40.202 38.000 0.373 0.000 1.264 422 I HN -0.077 nan 8.210 nan 0.000 0.438 423 E N 5.532 125.827 120.200 0.160 0.000 2.081 423 E HA 0.204 4.559 4.350 0.008 0.000 0.281 423 E C -0.531 176.122 176.600 0.088 0.000 0.986 423 E CA -0.788 55.681 56.400 0.116 0.000 0.796 423 E CB 2.216 31.967 29.700 0.084 0.000 1.085 423 E HN 0.347 nan 8.360 nan 0.000 0.398 424 L N 3.938 125.209 121.223 0.080 0.000 2.334 424 L HA 0.297 4.642 4.340 0.008 0.000 0.286 424 L C 0.406 177.291 176.870 0.024 0.000 1.108 424 L CA 0.038 54.871 54.840 -0.011 0.000 0.875 424 L CB 0.289 42.313 42.059 -0.059 0.000 1.246 424 L HN 0.486 nan 8.230 nan 0.000 0.439 425 G N 4.056 112.881 108.800 0.042 0.000 2.516 425 G HA2 0.115 4.080 3.960 0.008 0.000 0.276 425 G HA3 0.115 4.080 3.960 0.008 0.000 0.276 425 G C -0.481 174.490 174.900 0.119 0.000 1.390 425 G CA -0.825 44.315 45.100 0.068 0.000 1.050 425 G HN 0.809 nan 8.290 nan 0.000 0.519 426 R N -1.035 119.509 120.500 0.074 0.000 2.583 426 R HA -0.030 4.315 4.340 0.008 0.000 0.274 426 R C 0.211 176.497 176.300 -0.022 0.000 0.998 426 R CA -0.237 55.891 56.100 0.047 0.000 1.081 426 R CB -0.375 29.932 30.300 0.013 0.000 0.940 426 R HN 0.424 nan 8.270 nan 0.000 0.413 427 C N 7.162 126.370 119.300 -0.154 0.000 2.633 427 C HA 0.105 4.570 4.460 0.008 0.000 0.415 427 C C 1.933 176.758 174.990 -0.275 0.000 1.393 427 C CA -0.271 58.412 59.018 -0.559 0.000 1.700 427 C CB -1.456 25.944 27.740 -0.567 0.000 2.541 427 C HN 0.899 nan 8.230 nan 0.000 0.603 428 I N 4.059 124.481 120.570 -0.247 0.000 4.187 428 I HA 0.501 4.676 4.170 0.008 0.000 0.326 428 I C 0.789 176.848 176.117 -0.096 0.000 1.302 428 I CA 0.394 61.622 61.300 -0.120 0.000 1.196 428 I CB -0.025 37.933 38.000 -0.070 0.000 1.095 428 I HN 0.697 nan 8.210 nan 0.000 0.411 429 G N 1.307 110.036 108.800 -0.119 0.000 2.720 429 G HA2 0.433 4.398 3.960 0.008 0.000 0.295 429 G HA3 0.433 4.398 3.960 0.008 0.000 0.295 429 G C -1.508 173.342 174.900 -0.082 0.000 1.437 429 G CA -0.510 44.545 45.100 -0.074 0.000 0.886 429 G HN 0.023 nan 8.290 nan 0.000 0.509 430 E N -0.311 119.844 120.200 -0.075 0.000 2.283 430 E HA 0.573 4.928 4.350 0.008 0.000 0.271 430 E C 0.004 176.526 176.600 -0.130 0.000 1.031 430 E CA -0.525 55.818 56.400 -0.094 0.000 0.868 430 E CB 2.255 31.896 29.700 -0.098 0.000 1.094 430 E HN 0.643 nan 8.360 nan 0.000 0.401 431 G N 0.620 109.307 108.800 -0.188 0.000 2.590 431 G HA2 0.097 4.062 3.960 0.008 0.000 0.310 431 G HA3 0.097 4.062 3.960 0.008 0.000 0.310 431 G C 0.223 174.746 174.900 -0.627 0.000 1.347 431 G CA -0.417 44.395 45.100 -0.479 0.000 0.963 431 G HN 0.470 nan 8.290 nan 0.000 0.494 432 Q N 1.313 120.483 119.800 -1.049 0.000 2.508 432 Q HA -0.041 4.304 4.340 0.008 0.000 0.214 432 Q C 0.721 176.481 176.000 -0.401 0.000 0.979 432 Q CA 1.408 56.833 55.803 -0.630 0.000 0.911 432 Q CB -0.055 28.385 28.738 -0.496 0.000 0.969 432 Q HN 0.766 nan 8.270 nan 0.000 0.504 433 F N -3.800 116.187 119.950 0.061 0.000 2.671 433 F HA 0.510 5.042 4.527 0.009 0.000 0.303 433 F C 0.723 176.556 175.800 0.056 0.000 0.935 433 F CA -0.201 57.845 58.000 0.077 0.000 1.136 433 F CB 0.538 39.634 39.000 0.159 0.000 0.929 433 F HN -0.124 nan 8.300 nan 0.000 0.659 434 G N 0.667 109.643 108.800 0.293 0.000 2.596 434 G HA2 0.349 4.314 3.960 0.008 0.000 0.296 434 G HA3 0.349 4.314 3.960 0.008 0.000 0.296 434 G C -2.130 172.884 174.900 0.191 0.000 1.513 434 G CA -0.874 44.356 45.100 0.217 0.000 0.851 434 G HN -0.124 nan 8.290 nan 0.000 0.548 435 D N -0.358 120.121 120.400 0.132 0.000 2.357 435 D HA 0.396 5.041 4.640 0.008 0.000 0.242 435 D C 0.323 176.707 176.300 0.139 0.000 1.153 435 D CA 0.205 54.256 54.000 0.086 0.000 0.918 435 D CB 2.036 42.877 40.800 0.069 0.000 1.181 435 D HN 0.179 nan 8.370 nan 0.000 0.435 436 V N 1.518 121.445 119.914 0.022 0.000 2.513 436 V HA 0.314 4.439 4.120 0.008 0.000 0.299 436 V C -0.430 175.589 176.094 -0.125 0.000 1.035 436 V CA -0.603 61.716 62.300 0.032 0.000 0.889 436 V CB 1.572 33.411 31.823 0.027 0.000 0.988 436 V HN 0.489 nan 8.190 nan 0.000 0.440 437 H N 1.221 120.228 119.070 -0.104 0.000 2.797 437 H HA 0.537 5.098 4.556 0.009 0.000 0.372 437 H C -0.289 174.981 175.328 -0.097 0.000 1.168 437 H CA -0.516 55.464 56.048 -0.114 0.000 1.163 437 H CB 1.618 31.265 29.762 -0.192 0.000 1.778 437 H HN 0.672 nan 8.280 nan 0.000 0.551 438 Q N 0.320 120.147 119.800 0.044 0.000 2.317 438 Q HA 0.583 4.928 4.340 0.008 0.000 0.229 438 Q C -0.480 175.536 176.000 0.026 0.000 0.984 438 Q CA -0.399 55.418 55.803 0.024 0.000 0.911 438 Q CB 0.963 29.712 28.738 0.019 0.000 1.217 438 Q HN 0.895 nan 8.270 nan 0.000 0.501 439 G N 1.369 110.184 108.800 0.025 0.000 2.632 439 G HA2 0.390 4.355 3.960 0.008 0.000 0.292 439 G HA3 0.390 4.355 3.960 0.008 0.000 0.292 439 G C -1.600 173.340 174.900 0.067 0.000 1.465 439 G CA -0.650 44.471 45.100 0.035 0.000 0.824 439 G HN 0.459 nan 8.290 nan 0.000 0.509 440 I N 0.908 121.530 120.570 0.088 0.000 2.392 440 I HA 0.372 4.547 4.170 0.008 0.000 0.295 440 I C -1.018 175.212 176.117 0.189 0.000 0.985 440 I CA -0.860 60.505 61.300 0.108 0.000 1.221 440 I CB 1.506 39.551 38.000 0.076 0.000 1.366 440 I HN 0.539 nan 8.210 nan 0.000 0.467 441 Y N 7.016 127.341 120.300 0.040 0.000 2.363 441 Y HA 0.513 5.068 4.550 0.008 0.000 0.325 441 Y C -0.934 174.990 175.900 0.041 0.000 0.984 441 Y CA -1.407 56.723 58.100 0.050 0.000 1.248 441 Y CB 1.520 40.012 38.460 0.053 0.000 1.116 441 Y HN 0.499 nan 8.280 nan 0.000 0.470 442 M N 5.670 125.117 119.600 -0.256 0.000 2.069 442 M HA 0.296 4.781 4.480 0.008 0.000 0.349 442 M C -0.149 175.823 176.300 -0.546 0.000 1.194 442 M CA -0.079 55.026 55.300 -0.324 0.000 1.081 442 M CB 0.893 33.419 32.600 -0.123 0.000 1.500 442 M HN 0.648 nan 8.290 nan 0.000 0.438 443 S N 4.109 119.416 115.700 -0.655 0.000 2.452 443 S HA 0.480 4.955 4.470 0.008 0.000 0.284 443 S C -1.835 172.645 174.600 -0.200 0.000 1.171 443 S CA -1.282 56.632 58.200 -0.478 0.000 1.064 443 S CB 0.732 63.683 63.200 -0.415 0.000 0.967 443 S HN 0.468 nan 8.310 nan 0.000 0.484 444 P HA -0.199 nan 4.420 nan 0.000 0.214 444 P C -0.074 177.195 177.300 -0.052 0.000 1.169 444 P CA 1.410 64.472 63.100 -0.063 0.000 0.908 444 P CB -0.157 31.524 31.700 -0.031 0.000 0.791 445 E N 1.160 121.336 120.200 -0.039 0.000 2.070 445 E HA 0.346 4.701 4.350 0.008 0.000 0.282 445 E C -0.521 176.055 176.600 -0.040 0.000 1.104 445 E CA -0.167 56.215 56.400 -0.029 0.000 0.876 445 E CB -0.403 29.289 29.700 -0.012 0.000 1.055 445 E HN 0.237 nan 8.360 nan 0.000 0.401 446 N N 1.726 120.400 118.700 -0.044 0.000 5.144 446 N HA -0.076 4.668 4.740 0.008 0.000 0.390 446 N C -2.837 172.636 175.510 -0.063 0.000 1.923 446 N CA -0.705 52.318 53.050 -0.045 0.000 2.476 446 N CB -0.093 38.371 38.487 -0.039 0.000 0.610 446 N HN 0.286 nan 8.380 nan 0.000 0.542 447 P HA 0.342 nan 4.420 nan 0.000 0.276 447 P C -0.760 176.504 177.300 -0.061 0.000 1.261 447 P CA -0.322 62.752 63.100 -0.043 0.000 0.800 447 P CB 0.238 31.925 31.700 -0.021 0.000 1.066 448 A N 1.019 123.810 122.820 -0.048 0.000 2.475 448 A HA 0.359 4.684 4.320 0.008 0.000 0.239 448 A C 0.309 177.891 177.584 -0.004 0.000 1.087 448 A CA 0.346 52.359 52.037 -0.039 0.000 0.779 448 A CB -0.477 18.515 19.000 -0.013 0.000 1.036 448 A HN 0.728 nan 8.150 nan 0.000 0.506 449 M N 0.732 120.353 119.600 0.035 0.000 2.322 449 M HA 0.572 5.057 4.480 0.008 0.000 0.285 449 M C -0.632 175.728 176.300 0.100 0.000 1.119 449 M CA -0.363 54.984 55.300 0.078 0.000 0.953 449 M CB 1.832 34.509 32.600 0.130 0.000 1.701 449 M HN 1.024 nan 8.290 nan 0.000 0.479 450 A N 3.808 126.671 122.820 0.072 0.000 2.409 450 A HA 0.648 4.973 4.320 0.008 0.000 0.262 450 A C -0.573 177.050 177.584 0.065 0.000 1.113 450 A CA -0.309 51.766 52.037 0.063 0.000 0.790 450 A CB 0.074 19.099 19.000 0.042 0.000 1.046 450 A HN 1.168 nan 8.150 nan 0.000 0.496 451 V N -0.807 119.143 119.914 0.060 0.000 3.078 451 V HA 0.939 5.064 4.120 0.008 0.000 0.311 451 V C 0.028 176.130 176.094 0.013 0.000 1.138 451 V CA -0.525 61.798 62.300 0.039 0.000 1.007 451 V CB 1.301 33.149 31.823 0.042 0.000 1.045 451 V HN 1.620 nan 8.190 nan 0.000 0.432 452 A N 2.943 125.763 122.820 -0.001 0.000 2.303 452 A HA 0.933 5.258 4.320 0.008 0.000 0.317 452 A C -0.567 176.996 177.584 -0.034 0.000 1.149 452 A CA -0.683 51.348 52.037 -0.011 0.000 0.822 452 A CB 0.639 19.638 19.000 -0.002 0.000 1.131 452 A HN 0.989 nan 8.150 nan 0.000 0.493 453 I N 1.639 122.173 120.570 -0.060 0.000 2.476 453 I HA 0.268 4.443 4.170 0.008 0.000 0.281 453 I C -0.096 175.963 176.117 -0.097 0.000 1.040 453 I CA -0.219 60.991 61.300 -0.149 0.000 1.094 453 I CB 1.836 39.602 38.000 -0.389 0.000 1.219 453 I HN 0.661 nan 8.210 nan 0.000 0.450 454 K N 5.470 125.875 120.400 0.009 0.000 2.285 454 K HA 0.406 4.731 4.320 0.008 0.000 0.286 454 K C 0.168 176.919 176.600 0.252 0.000 1.072 454 K CA -0.295 56.087 56.287 0.158 0.000 0.913 454 K CB 0.863 33.483 32.500 0.200 0.000 1.067 454 K HN 0.708 nan 8.250 nan 0.000 0.479 455 T N -0.023 114.639 114.554 0.179 0.000 2.881 455 T HA 0.375 4.730 4.350 0.008 0.000 0.278 455 T C -0.324 174.419 174.700 0.072 0.000 0.982 455 T CA -0.822 61.351 62.100 0.121 0.000 0.989 455 T CB 1.302 70.193 68.868 0.038 0.000 1.058 455 T HN 0.577 nan 8.240 nan 0.000 0.529 456 C N 1.501 120.770 119.300 -0.052 0.000 2.441 456 C HA 0.637 5.102 4.460 0.008 0.000 0.318 456 C C 1.121 176.046 174.990 -0.109 0.000 1.222 456 C CA -0.612 58.196 59.018 -0.350 0.000 1.474 456 C CB 1.178 28.518 27.740 -0.666 0.000 2.125 456 C HN 1.197 nan 8.230 nan 0.000 0.479 457 K N 1.829 122.178 120.400 -0.084 0.000 2.159 457 K HA 0.199 4.523 4.320 0.008 0.000 0.210 457 K C 0.575 177.155 176.600 -0.034 0.000 1.026 457 K CA 0.738 57.011 56.287 -0.024 0.000 0.959 457 K CB 0.079 32.581 32.500 0.003 0.000 0.890 457 K HN 0.609 nan 8.250 nan 0.000 0.459 458 N N 0.954 119.632 118.700 -0.036 0.000 3.259 458 N HA 0.091 4.836 4.740 0.008 0.000 0.308 458 N C 0.514 175.995 175.510 -0.049 0.000 1.334 458 N CA 0.173 53.205 53.050 -0.030 0.000 1.202 458 N CB -0.187 38.293 38.487 -0.012 0.000 1.485 458 N HN 0.419 nan 8.380 nan 0.000 0.549 459 C N -0.381 118.876 119.300 -0.070 0.000 2.468 459 C HA -0.020 4.445 4.460 0.008 0.000 0.277 459 C C 2.573 177.533 174.990 -0.049 0.000 1.400 459 C CA 1.081 60.047 59.018 -0.087 0.000 1.770 459 C CB -0.873 26.801 27.740 -0.109 0.000 1.905 459 C HN 0.497 nan 8.230 nan 0.000 0.519 460 T N -0.094 114.437 114.554 -0.039 0.000 2.821 460 T HA 0.005 4.360 4.350 0.008 0.000 0.267 460 T C 1.198 175.887 174.700 -0.018 0.000 1.046 460 T CA 1.175 63.258 62.100 -0.028 0.000 1.139 460 T CB -1.067 67.785 68.868 -0.026 0.000 0.871 460 T HN 0.909 nan 8.240 nan 0.000 0.454 461 S N 2.148 117.839 115.700 -0.015 0.000 2.506 461 S HA 0.090 4.565 4.470 0.008 0.000 0.291 461 S C 0.425 175.024 174.600 -0.001 0.000 1.230 461 S CA -0.564 57.631 58.200 -0.007 0.000 1.107 461 S CB 0.516 63.712 63.200 -0.006 0.000 0.942 461 S HN 0.191 nan 8.310 nan 0.000 0.502 462 D N 3.157 123.559 120.400 0.002 0.000 2.144 462 D HA -0.113 4.532 4.640 0.008 0.000 0.199 462 D C 2.216 178.527 176.300 0.018 0.000 0.984 462 D CA 1.801 55.806 54.000 0.008 0.000 0.834 462 D CB -0.266 40.538 40.800 0.007 0.000 0.955 462 D HN 0.762 nan 8.370 nan 0.000 0.465 463 S N -0.286 115.425 115.700 0.018 0.000 2.406 463 S HA -0.070 4.405 4.470 0.008 0.000 0.228 463 S C 2.235 176.859 174.600 0.039 0.000 1.020 463 S CA 0.599 58.813 58.200 0.025 0.000 0.965 463 S CB -0.488 62.722 63.200 0.017 0.000 0.798 463 S HN 0.067 nan 8.310 nan 0.000 0.488 464 V N 2.251 122.187 119.914 0.037 0.000 2.407 464 V HA -0.133 3.992 4.120 0.008 0.000 0.248 464 V C 2.890 179.033 176.094 0.082 0.000 1.055 464 V CA 2.084 64.416 62.300 0.054 0.000 1.049 464 V CB -0.967 30.876 31.823 0.033 0.000 0.662 464 V HN 0.499 nan 8.190 nan 0.000 0.455 465 R N 0.124 120.658 120.500 0.057 0.000 2.066 465 R HA -0.200 4.145 4.340 0.008 0.000 0.232 465 R C 2.401 178.778 176.300 0.128 0.000 1.131 465 R CA 1.975 58.123 56.100 0.081 0.000 0.955 465 R CB -0.178 30.144 30.300 0.036 0.000 0.851 465 R HN 0.617 nan 8.270 nan 0.000 0.432 466 E N 0.142 120.391 120.200 0.081 0.000 2.150 466 E HA -0.161 4.194 4.350 0.008 0.000 0.193 466 E C 1.654 178.297 176.600 0.071 0.000 0.985 466 E CA 1.186 57.626 56.400 0.067 0.000 0.814 466 E CB 0.268 29.992 29.700 0.040 0.000 0.752 466 E HN 0.251 nan 8.360 nan 0.000 0.466 467 K N -0.559 119.890 120.400 0.082 0.000 2.167 467 K HA -0.071 4.254 4.320 0.008 0.000 0.203 467 K C 1.802 178.450 176.600 0.081 0.000 1.052 467 K CA 0.610 56.935 56.287 0.064 0.000 0.956 467 K CB -0.121 32.411 32.500 0.054 0.000 0.735 467 K HN 0.084 nan 8.250 nan 0.000 0.451 468 F N 2.518 122.458 119.950 -0.017 0.000 2.010 468 F HA -0.183 4.349 4.527 0.008 0.000 0.296 468 F C 1.768 177.564 175.800 -0.007 0.000 1.146 468 F CA 1.522 59.508 58.000 -0.023 0.000 1.181 468 F CB -0.382 38.625 39.000 0.012 0.000 0.965 468 F HN -0.091 nan 8.300 nan 0.000 0.480 469 L N 0.150 121.462 121.223 0.148 0.000 2.675 469 L HA 0.002 4.347 4.340 0.008 0.000 0.238 469 L C 1.790 178.660 176.870 0.002 0.000 1.155 469 L CA 0.653 55.521 54.840 0.047 0.000 0.881 469 L CB -0.741 41.400 42.059 0.138 0.000 1.008 469 L HN 0.344 nan 8.230 nan 0.000 0.443 470 Q N 1.412 121.202 119.800 -0.016 0.000 2.083 470 Q HA -0.238 4.107 4.340 0.008 0.000 0.198 470 Q C 2.101 178.063 176.000 -0.064 0.000 0.969 470 Q CA 2.104 57.892 55.803 -0.024 0.000 0.838 470 Q CB -0.180 28.552 28.738 -0.010 0.000 0.900 470 Q HN 0.734 nan 8.270 nan 0.000 0.436 471 E N -0.638 119.491 120.200 -0.119 0.000 2.097 471 E HA -0.266 4.089 4.350 0.008 0.000 0.196 471 E C 1.634 178.150 176.600 -0.141 0.000 1.000 471 E CA 1.343 57.660 56.400 -0.137 0.000 0.804 471 E CB -0.271 29.276 29.700 -0.255 0.000 0.740 471 E HN 0.462 nan 8.360 nan 0.000 0.454 472 A N 0.770 123.506 122.820 -0.139 0.000 1.969 472 A HA -0.100 4.225 4.320 0.008 0.000 0.218 472 A C 2.185 179.687 177.584 -0.137 0.000 1.169 472 A CA 0.855 52.827 52.037 -0.108 0.000 0.635 472 A CB -0.489 18.510 19.000 -0.003 0.000 0.810 472 A HN 0.329 nan 8.150 nan 0.000 0.445 473 L N -0.403 120.768 121.223 -0.086 0.000 2.046 473 L HA -0.170 4.175 4.340 0.008 0.000 0.208 473 L C 3.114 179.839 176.870 -0.243 0.000 1.077 473 L CA 1.952 56.735 54.840 -0.095 0.000 0.747 473 L CB -0.537 41.500 42.059 -0.036 0.000 0.896 473 L HN 0.649 nan 8.230 nan 0.000 0.432 474 T N -2.122 112.267 114.554 -0.274 0.000 2.777 474 T HA -0.248 4.107 4.350 0.008 0.000 0.266 474 T C 1.861 176.035 174.700 -0.876 0.000 1.040 474 T CA 1.161 62.969 62.100 -0.487 0.000 1.141 474 T CB -0.208 68.488 68.868 -0.287 0.000 0.868 474 T HN 0.175 nan 8.240 nan 0.000 0.444 475 M N 0.086 119.320 119.600 -0.610 0.000 2.267 475 M HA -0.027 4.458 4.480 0.008 0.000 0.263 475 M C 2.710 178.688 176.300 -0.537 0.000 1.063 475 M CA 1.043 56.005 55.300 -0.562 0.000 1.090 475 M CB -0.227 32.211 32.600 -0.271 0.000 1.392 475 M HN 0.168 nan 8.290 nan 0.000 0.422 476 R N 0.539 120.720 120.500 -0.533 0.000 2.096 476 R HA -0.170 4.175 4.340 0.008 0.000 0.240 476 R C 1.913 177.958 176.300 -0.426 0.000 1.139 476 R CA 1.603 57.399 56.100 -0.506 0.000 0.952 476 R CB -0.610 29.394 30.300 -0.493 0.000 0.854 476 R HN 0.476 nan 8.270 nan 0.000 0.436 477 Q N -0.433 119.022 119.800 -0.574 0.000 2.170 477 Q HA -0.069 4.276 4.340 0.008 0.000 0.203 477 Q C 0.603 176.443 176.000 -0.267 0.000 0.976 477 Q CA 0.986 56.489 55.803 -0.500 0.000 0.858 477 Q CB -0.193 28.110 28.738 -0.726 0.000 0.907 477 Q HN 0.304 nan 8.270 nan 0.000 0.433 478 F N 0.794 120.644 119.950 -0.167 0.000 2.394 478 F HA 0.322 4.854 4.527 0.008 0.000 0.340 478 F C 0.163 175.922 175.800 -0.068 0.000 1.105 478 F CA -1.139 56.837 58.000 -0.041 0.000 1.124 478 F CB 1.043 39.932 39.000 -0.185 0.000 1.145 478 F HN -0.189 nan 8.300 nan 0.000 0.505 479 D N 2.235 122.726 120.400 0.151 0.000 2.478 479 D HA 0.210 4.855 4.640 0.008 0.000 0.240 479 D C -1.418 174.734 176.300 -0.246 0.000 1.364 479 D CA -0.204 53.773 54.000 -0.038 0.000 0.987 479 D CB 0.652 41.452 40.800 -0.001 0.000 1.328 479 D HN 0.618 nan 8.370 nan 0.000 0.584 480 H N 3.300 122.121 119.070 -0.415 0.000 3.121 480 H HA 0.245 4.806 4.556 0.008 0.000 0.337 480 H C -2.530 172.580 175.328 -0.363 0.000 1.198 480 H CA -1.187 54.531 56.048 -0.551 0.000 1.274 480 H CB 2.299 31.458 29.762 -1.006 0.000 1.954 480 H HN 0.112 nan 8.280 nan 0.000 0.531 481 P HA 0.093 nan 4.420 nan 0.000 0.245 481 P C 0.209 177.052 177.300 -0.762 0.000 1.212 481 P CA 0.785 63.458 63.100 -0.711 0.000 0.774 481 P CB 0.108 31.335 31.700 -0.788 0.000 0.999 482 H N -1.214 117.796 119.070 -0.100 0.000 2.575 482 H HA 0.397 4.958 4.556 0.008 0.000 0.256 482 H C 0.072 175.456 175.328 0.093 0.000 1.162 482 H CA -0.363 55.706 56.048 0.035 0.000 0.969 482 H CB 0.660 30.456 29.762 0.058 0.000 1.796 482 H HN 0.175 nan 8.280 nan 0.000 0.607 483 I N 1.000 121.660 120.570 0.150 0.000 2.545 483 I HA 0.101 4.276 4.170 0.008 0.000 0.292 483 I C 0.160 176.347 176.117 0.117 0.000 1.040 483 I CA -1.049 60.344 61.300 0.156 0.000 1.068 483 I CB 3.333 41.409 38.000 0.128 0.000 1.251 483 I HN -0.131 nan 8.210 nan 0.000 0.424 484 V N 7.230 127.238 119.914 0.156 0.000 2.425 484 V HA 0.029 4.154 4.120 0.008 0.000 0.276 484 V C 0.472 176.621 176.094 0.092 0.000 1.017 484 V CA 0.026 62.385 62.300 0.098 0.000 1.062 484 V CB 0.387 32.253 31.823 0.072 0.000 0.997 484 V HN 0.739 nan 8.190 nan 0.000 0.476 485 K N 5.845 126.260 120.400 0.026 0.000 2.436 485 K HA 0.166 4.491 4.320 0.008 0.000 0.282 485 K C -0.286 176.301 176.600 -0.021 0.000 1.044 485 K CA -0.414 55.869 56.287 -0.008 0.000 1.028 485 K CB 0.546 33.028 32.500 -0.030 0.000 0.919 485 K HN 0.771 nan 8.250 nan 0.000 0.474 486 L N 5.906 127.094 121.223 -0.058 0.000 2.453 486 L HA 0.102 4.447 4.340 0.008 0.000 0.272 486 L C 0.445 177.260 176.870 -0.092 0.000 1.182 486 L CA 0.612 55.397 54.840 -0.092 0.000 0.858 486 L CB 0.512 42.461 42.059 -0.183 0.000 1.120 486 L HN 0.838 nan 8.230 nan 0.000 0.474 487 I N 3.237 123.767 120.570 -0.066 0.000 3.616 487 I HA 0.385 4.560 4.170 0.008 0.000 0.296 487 I C 0.988 177.082 176.117 -0.038 0.000 1.226 487 I CA 0.517 61.784 61.300 -0.054 0.000 1.394 487 I CB 0.326 38.292 38.000 -0.058 0.000 1.171 487 I HN 0.798 nan 8.210 nan 0.000 0.442 488 G N 0.608 109.403 108.800 -0.007 0.000 2.322 488 G HA2 0.451 4.416 3.960 0.008 0.000 0.295 488 G HA3 0.451 4.416 3.960 0.008 0.000 0.295 488 G C -1.607 173.385 174.900 0.153 0.000 1.369 488 G CA -0.080 45.092 45.100 0.120 0.000 0.821 488 G HN -0.041 nan 8.290 nan 0.000 0.536 489 V N -2.470 117.558 119.914 0.191 0.000 3.130 489 V HA 0.877 5.002 4.120 0.008 0.000 0.310 489 V C -0.626 175.520 176.094 0.087 0.000 1.158 489 V CA -1.254 61.136 62.300 0.150 0.000 1.029 489 V CB 2.001 33.927 31.823 0.172 0.000 1.057 489 V HN 0.843 nan 8.190 nan 0.000 0.436 490 I N 2.021 122.660 120.570 0.115 0.000 2.411 490 I HA 0.392 4.567 4.170 0.008 0.000 0.284 490 I C 0.798 176.925 176.117 0.018 0.000 1.012 490 I CA -0.233 61.089 61.300 0.037 0.000 1.119 490 I CB 2.291 40.295 38.000 0.007 0.000 1.261 490 I HN 0.929 nan 8.210 nan 0.000 0.448 491 T N 0.841 115.384 114.554 -0.019 0.000 3.244 491 T HA 0.295 4.650 4.350 0.008 0.000 0.254 491 T C 0.244 174.923 174.700 -0.036 0.000 1.024 491 T CA -0.378 61.714 62.100 -0.013 0.000 0.920 491 T CB -0.451 68.395 68.868 -0.036 0.000 1.042 491 T HN 0.520 nan 8.240 nan 0.000 0.572 492 E N 1.666 121.824 120.200 -0.070 0.000 2.212 492 E HA 0.353 4.708 4.350 0.008 0.000 0.268 492 E C -0.755 175.771 176.600 -0.122 0.000 0.902 492 E CA -1.203 55.143 56.400 -0.090 0.000 0.779 492 E CB 0.933 30.568 29.700 -0.109 0.000 1.172 492 E HN 0.142 nan 8.360 nan 0.000 0.409 493 N N 3.551 122.190 118.700 -0.102 0.000 2.412 493 N HA 0.080 4.825 4.740 0.008 0.000 0.254 493 N C -2.040 173.367 175.510 -0.172 0.000 1.232 493 N CA -0.517 52.466 53.050 -0.111 0.000 0.880 493 N CB -0.128 38.312 38.487 -0.077 0.000 1.076 493 N HN 0.351 nan 8.380 nan 0.000 0.458 494 P HA 0.139 nan 4.420 nan 0.000 0.279 494 P C -0.200 177.007 177.300 -0.154 0.000 1.239 494 P CA -0.389 62.631 63.100 -0.134 0.000 0.789 494 P CB 0.797 32.473 31.700 -0.040 0.000 0.933 495 V N 3.760 123.654 119.914 -0.032 0.000 2.585 495 V HA 0.012 4.137 4.120 0.008 0.000 0.296 495 V C -0.041 176.297 176.094 0.406 0.000 1.035 495 V CA 0.379 62.745 62.300 0.111 0.000 1.084 495 V CB -0.433 31.497 31.823 0.179 0.000 0.953 495 V HN 0.538 nan 8.190 nan 0.000 0.483 496 W N 5.121 126.501 121.300 0.134 0.000 2.632 496 W HA 0.661 5.326 4.660 0.008 0.000 0.328 496 W C -0.345 176.274 176.519 0.166 0.000 1.044 496 W CA -1.418 56.022 57.345 0.158 0.000 1.225 496 W CB 1.294 30.792 29.460 0.064 0.000 1.396 496 W HN 0.312 nan 8.180 nan 0.000 0.499 497 I N 5.923 126.703 120.570 0.350 0.000 2.362 497 I HA 0.296 4.471 4.170 0.008 0.000 0.289 497 I C -0.291 175.876 176.117 0.084 0.000 0.994 497 I CA -0.956 60.442 61.300 0.163 0.000 1.158 497 I CB 1.020 39.039 38.000 0.031 0.000 1.315 497 I HN -0.003 nan 8.210 nan 0.000 0.451 498 I N 7.346 127.946 120.570 0.049 0.000 2.336 498 I HA 0.472 4.647 4.170 0.008 0.000 0.292 498 I C 0.125 176.222 176.117 -0.033 0.000 0.991 498 I CA -0.308 60.981 61.300 -0.019 0.000 1.227 498 I CB 1.031 38.974 38.000 -0.096 0.000 1.366 498 I HN 0.665 nan 8.210 nan 0.000 0.466 499 M N 4.209 123.794 119.600 -0.026 0.000 2.704 499 M HA 0.601 5.086 4.480 0.008 0.000 0.284 499 M C -0.379 175.916 176.300 -0.008 0.000 1.275 499 M CA -1.005 54.285 55.300 -0.017 0.000 0.811 499 M CB 1.997 34.597 32.600 0.000 0.000 1.741 499 M HN 0.486 nan 8.290 nan 0.000 0.458 500 E N 1.065 121.264 120.200 -0.001 0.000 2.404 500 E HA 0.422 4.777 4.350 0.008 0.000 0.261 500 E C -1.300 175.304 176.600 0.006 0.000 1.074 500 E CA -0.737 55.666 56.400 0.006 0.000 0.917 500 E CB 1.033 30.734 29.700 0.002 0.000 0.965 500 E HN 0.562 nan 8.360 nan 0.000 0.433 501 L N 2.392 123.620 121.223 0.009 0.000 2.287 501 L HA 0.284 4.629 4.340 0.008 0.000 0.287 501 L C -1.197 175.672 176.870 -0.001 0.000 1.022 501 L CA -0.533 54.311 54.840 0.006 0.000 0.814 501 L CB 1.109 43.175 42.059 0.013 0.000 1.217 501 L HN 0.755 nan 8.230 nan 0.000 0.420 502 C N 4.226 123.520 119.300 -0.010 0.000 2.218 502 C HA 0.172 4.637 4.460 0.008 0.000 0.353 502 C C 1.990 176.969 174.990 -0.018 0.000 1.070 502 C CA -0.311 58.693 59.018 -0.024 0.000 1.497 502 C CB -1.092 26.623 27.740 -0.042 0.000 1.951 502 C HN 1.025 nan 8.230 nan 0.000 0.493 503 T N 2.482 117.033 114.554 -0.005 0.000 2.685 503 T HA -0.185 4.170 4.350 0.008 0.000 0.268 503 T C 1.438 176.153 174.700 0.024 0.000 1.034 503 T CA 1.711 63.819 62.100 0.012 0.000 1.149 503 T CB -0.099 68.781 68.868 0.020 0.000 0.860 503 T HN 0.664 nan 8.240 nan 0.000 0.449 504 L N 0.480 121.713 121.223 0.016 0.000 2.612 504 L HA 0.299 4.644 4.340 0.008 0.000 0.230 504 L C 1.455 178.366 176.870 0.069 0.000 1.140 504 L CA -0.208 54.675 54.840 0.071 0.000 0.896 504 L CB -1.030 41.088 42.059 0.099 0.000 1.065 504 L HN 0.452 nan 8.230 nan 0.000 0.447 505 G N 1.195 110.000 108.800 0.009 0.000 2.681 505 G HA2 -0.216 3.749 3.960 0.008 0.000 0.220 505 G HA3 -0.216 3.749 3.960 0.008 0.000 0.220 505 G C -0.256 174.636 174.900 -0.012 0.000 1.353 505 G CA -0.295 44.816 45.100 0.018 0.000 0.872 505 G HN 0.436 nan 8.290 nan 0.000 0.557 506 E N 0.011 120.221 120.200 0.017 0.000 2.392 506 E HA 0.346 4.701 4.350 0.008 0.000 0.264 506 E C 1.429 178.051 176.600 0.036 0.000 1.024 506 E CA -0.169 56.237 56.400 0.009 0.000 0.903 506 E CB 1.428 31.142 29.700 0.023 0.000 0.963 506 E HN 0.739 nan 8.360 nan 0.000 0.432 507 L N 3.305 124.524 121.223 -0.005 0.000 2.056 507 L HA -0.136 4.209 4.340 0.008 0.000 0.207 507 L C 2.476 179.414 176.870 0.113 0.000 1.078 507 L CA 1.574 56.411 54.840 -0.004 0.000 0.749 507 L CB -0.266 41.752 42.059 -0.069 0.000 0.901 507 L HN 0.564 nan 8.230 nan 0.000 0.433 508 R N -0.792 119.767 120.500 0.098 0.000 2.088 508 R HA -0.206 4.139 4.340 0.008 0.000 0.232 508 R C 2.490 178.859 176.300 0.115 0.000 1.136 508 R CA 1.820 57.988 56.100 0.113 0.000 0.926 508 R CB -1.108 29.260 30.300 0.113 0.000 0.837 508 R HN 0.536 nan 8.270 nan 0.000 0.429 509 S N 0.642 116.404 115.700 0.104 0.000 2.372 509 S HA -0.262 4.213 4.470 0.008 0.000 0.227 509 S C 1.835 176.499 174.600 0.107 0.000 1.044 509 S CA 1.732 59.986 58.200 0.091 0.000 1.050 509 S CB -0.451 62.797 63.200 0.082 0.000 0.901 509 S HN 0.395 nan 8.310 nan 0.000 0.447 510 F N 1.650 121.597 119.950 -0.004 0.000 2.161 510 F HA -0.036 4.495 4.527 0.008 0.000 0.300 510 F C 1.895 177.700 175.800 0.008 0.000 1.089 510 F CA 1.756 59.749 58.000 -0.010 0.000 1.282 510 F CB -0.240 38.730 39.000 -0.050 0.000 1.010 510 F HN 0.239 nan 8.300 nan 0.000 0.485 511 L N -0.460 120.859 121.223 0.161 0.000 2.034 511 L HA -0.184 4.161 4.340 0.008 0.000 0.203 511 L C 2.493 179.363 176.870 -0.001 0.000 1.074 511 L CA 1.301 56.205 54.840 0.106 0.000 0.748 511 L CB -1.090 41.076 42.059 0.179 0.000 0.905 511 L HN 0.103 nan 8.230 nan 0.000 0.439 512 Q N -0.156 119.652 119.800 0.013 0.000 2.047 512 Q HA -0.258 4.087 4.340 0.008 0.000 0.211 512 Q C 2.254 178.211 176.000 -0.071 0.000 1.005 512 Q CA 2.252 58.038 55.803 -0.027 0.000 0.866 512 Q CB -0.657 28.088 28.738 0.010 0.000 0.938 512 Q HN 0.280 nan 8.270 nan 0.000 0.414 513 V N 0.614 120.486 119.914 -0.071 0.000 2.278 513 V HA -0.287 3.838 4.120 0.008 0.000 0.251 513 V C 1.525 177.546 176.094 -0.121 0.000 1.062 513 V CA 2.117 64.364 62.300 -0.088 0.000 1.038 513 V CB -0.364 31.391 31.823 -0.114 0.000 0.646 513 V HN 0.296 nan 8.190 nan 0.000 0.447 514 R N -0.690 119.683 120.500 -0.212 0.000 2.702 514 R HA 0.157 4.502 4.340 0.008 0.000 0.314 514 R C 1.775 177.956 176.300 -0.198 0.000 1.152 514 R CA -0.163 55.815 56.100 -0.204 0.000 1.097 514 R CB -0.088 30.003 30.300 -0.348 0.000 1.343 514 R HN 0.383 nan 8.270 nan 0.000 0.575 515 K N 0.338 120.543 120.400 -0.324 0.000 2.218 515 K HA -0.136 4.189 4.320 0.008 0.000 0.205 515 K C 0.002 176.026 176.600 -0.960 0.000 1.046 515 K CA 1.414 57.221 56.287 -0.799 0.000 0.933 515 K CB 0.148 31.994 32.500 -1.091 0.000 0.728 515 K HN 0.196 nan 8.250 nan 0.000 0.454 516 F N -0.934 118.910 119.950 -0.177 0.000 2.735 516 F HA 0.142 4.674 4.527 0.008 0.000 0.308 516 F C 1.036 176.792 175.800 -0.074 0.000 1.112 516 F CA -0.402 57.523 58.000 -0.127 0.000 1.235 516 F CB 1.086 40.022 39.000 -0.106 0.000 1.027 516 F HN -0.032 nan 8.300 nan 0.000 0.528 517 S N -1.067 114.659 115.700 0.043 0.000 2.733 517 S HA 0.387 4.862 4.470 0.008 0.000 0.247 517 S C -0.152 174.469 174.600 0.035 0.000 1.043 517 S CA -0.197 58.027 58.200 0.039 0.000 1.066 517 S CB -0.114 63.099 63.200 0.022 0.000 1.045 517 S HN 0.137 nan 8.310 nan 0.000 0.586 518 L N 4.055 125.300 121.223 0.036 0.000 2.280 518 L HA 0.460 4.805 4.340 0.008 0.000 0.287 518 L C -0.640 176.268 176.870 0.063 0.000 1.023 518 L CA -0.865 54.020 54.840 0.074 0.000 0.819 518 L CB 1.168 43.310 42.059 0.138 0.000 1.212 518 L HN 0.268 nan 8.230 nan 0.000 0.420 519 D N 2.676 123.099 120.400 0.039 0.000 2.400 519 D HA -0.069 4.576 4.640 0.008 0.000 0.238 519 D C 1.034 177.335 176.300 0.002 0.000 1.157 519 D CA -0.380 53.631 54.000 0.018 0.000 0.889 519 D CB 1.236 42.038 40.800 0.003 0.000 1.199 519 D HN 0.299 nan 8.370 nan 0.000 0.436 520 L N 2.127 123.346 121.223 -0.007 0.000 2.043 520 L HA -0.213 4.132 4.340 0.008 0.000 0.212 520 L C 2.443 179.270 176.870 -0.071 0.000 1.075 520 L CA 2.557 57.377 54.840 -0.034 0.000 0.752 520 L CB -0.842 41.199 42.059 -0.031 0.000 0.891 520 L HN 0.641 nan 8.230 nan 0.000 0.432 521 A N -1.814 120.965 122.820 -0.068 0.000 1.997 521 A HA -0.280 4.045 4.320 0.008 0.000 0.221 521 A C 2.450 179.939 177.584 -0.157 0.000 1.172 521 A CA 2.280 54.261 52.037 -0.093 0.000 0.645 521 A CB -0.913 18.045 19.000 -0.071 0.000 0.813 521 A HN 0.539 nan 8.150 nan 0.000 0.454 522 S N -0.578 115.017 115.700 -0.176 0.000 2.345 522 S HA -0.018 4.457 4.470 0.008 0.000 0.219 522 S C 1.855 176.081 174.600 -0.623 0.000 1.031 522 S CA 1.148 59.130 58.200 -0.364 0.000 0.984 522 S CB -0.406 62.685 63.200 -0.182 0.000 0.874 522 S HN 0.533 nan 8.310 nan 0.000 0.451 523 L N 1.479 122.536 121.223 -0.276 0.000 1.990 523 L HA -0.179 4.166 4.340 0.008 0.000 0.213 523 L C 2.469 179.251 176.870 -0.146 0.000 1.072 523 L CA 1.814 56.571 54.840 -0.138 0.000 0.755 523 L CB -0.807 41.197 42.059 -0.091 0.000 0.889 523 L HN 0.458 nan 8.230 nan 0.000 0.432 524 I N -1.577 118.910 120.570 -0.139 0.000 2.546 524 I HA -0.213 3.962 4.170 0.008 0.000 0.255 524 I C 2.451 178.539 176.117 -0.049 0.000 1.163 524 I CA 0.868 62.129 61.300 -0.064 0.000 1.457 524 I CB -0.068 37.904 38.000 -0.047 0.000 1.092 524 I HN 0.127 nan 8.210 nan 0.000 0.434 525 L N 1.112 122.229 121.223 -0.176 0.000 2.043 525 L HA -0.247 4.098 4.340 0.008 0.000 0.212 525 L C 2.280 179.142 176.870 -0.012 0.000 1.075 525 L CA 2.105 56.868 54.840 -0.129 0.000 0.752 525 L CB -1.021 40.876 42.059 -0.270 0.000 0.891 525 L HN 0.303 nan 8.230 nan 0.000 0.432 526 Y N 0.001 120.330 120.300 0.050 0.000 2.114 526 Y HA -0.089 4.466 4.550 0.008 0.000 0.284 526 Y C 2.678 178.607 175.900 0.049 0.000 1.143 526 Y CA 0.915 59.025 58.100 0.016 0.000 1.135 526 Y CB -1.648 36.817 38.460 0.009 0.000 0.980 526 Y HN 0.286 nan 8.280 nan 0.000 0.499 527 A N -0.433 122.525 122.820 0.231 0.000 1.917 527 A HA -0.294 4.031 4.320 0.008 0.000 0.219 527 A C 2.168 179.940 177.584 0.313 0.000 1.182 527 A CA 1.925 54.120 52.037 0.262 0.000 0.633 527 A CB -1.486 17.599 19.000 0.141 0.000 0.819 527 A HN 0.576 nan 8.150 nan 0.000 0.448 528 Y N 0.670 121.036 120.300 0.111 0.000 2.097 528 Y HA -0.277 4.278 4.550 0.008 0.000 0.282 528 Y C 2.534 178.443 175.900 0.016 0.000 1.152 528 Y CA 2.358 60.499 58.100 0.069 0.000 1.136 528 Y CB -0.600 37.869 38.460 0.014 0.000 0.975 528 Y HN 0.472 nan 8.280 nan 0.000 0.498 529 Q N -0.031 119.648 119.800 -0.203 0.000 2.061 529 Q HA -0.209 4.136 4.340 0.008 0.000 0.204 529 Q C 2.429 178.228 176.000 -0.335 0.000 0.984 529 Q CA 1.919 57.407 55.803 -0.526 0.000 0.846 529 Q CB -0.384 27.885 28.738 -0.781 0.000 0.902 529 Q HN 0.518 nan 8.270 nan 0.000 0.421 530 L N 0.905 122.061 121.223 -0.110 0.000 2.013 530 L HA -0.251 4.094 4.340 0.008 0.000 0.212 530 L C 2.791 179.533 176.870 -0.213 0.000 1.073 530 L CA 1.747 56.568 54.840 -0.033 0.000 0.753 530 L CB -0.806 41.400 42.059 0.246 0.000 0.890 530 L HN 0.376 nan 8.230 nan 0.000 0.432 531 S N -1.014 114.548 115.700 -0.230 0.000 2.382 531 S HA -0.216 4.259 4.470 0.008 0.000 0.228 531 S C 2.034 176.436 174.600 -0.331 0.000 1.027 531 S CA 1.659 59.623 58.200 -0.393 0.000 0.991 531 S CB -0.991 62.119 63.200 -0.150 0.000 0.823 531 S HN 0.617 nan 8.310 nan 0.000 0.469 532 T N 0.222 114.581 114.554 -0.324 0.000 2.759 532 T HA 0.071 4.426 4.350 0.008 0.000 0.269 532 T C 1.941 176.505 174.700 -0.227 0.000 1.042 532 T CA 1.341 63.326 62.100 -0.192 0.000 1.140 532 T CB -0.915 67.898 68.868 -0.091 0.000 0.864 532 T HN 0.606 nan 8.240 nan 0.000 0.455 533 A N 1.613 124.276 122.820 -0.262 0.000 1.872 533 A HA 0.265 4.590 4.320 0.008 0.000 0.214 533 A C 2.446 179.753 177.584 -0.462 0.000 1.187 533 A CA 1.219 52.967 52.037 -0.482 0.000 0.614 533 A CB -0.821 18.071 19.000 -0.179 0.000 0.826 533 A HN 0.533 nan 8.150 nan 0.000 0.442 534 L N -0.626 120.273 121.223 -0.540 0.000 2.141 534 L HA -0.136 4.209 4.340 0.008 0.000 0.209 534 L C 3.021 179.464 176.870 -0.711 0.000 1.094 534 L CA 0.769 55.111 54.840 -0.831 0.000 0.763 534 L CB -0.536 40.637 42.059 -1.476 0.000 0.908 534 L HN 0.434 nan 8.230 nan 0.000 0.437 535 A N -0.160 122.409 122.820 -0.418 0.000 1.845 535 A HA -0.312 4.013 4.320 0.008 0.000 0.215 535 A C 2.223 179.717 177.584 -0.150 0.000 1.195 535 A CA 1.772 53.713 52.037 -0.160 0.000 0.616 535 A CB -1.082 17.875 19.000 -0.071 0.000 0.832 535 A HN 0.463 nan 8.150 nan 0.000 0.443 536 Y N 0.440 120.534 120.300 -0.344 0.000 2.193 536 Y HA -0.229 4.326 4.550 0.008 0.000 0.285 536 Y C 1.976 177.686 175.900 -0.317 0.000 1.166 536 Y CA 2.064 59.960 58.100 -0.340 0.000 1.181 536 Y CB -0.212 37.895 38.460 -0.588 0.000 0.976 536 Y HN 0.238 nan 8.280 nan 0.000 0.520 537 L N -0.204 120.825 121.223 -0.324 0.000 2.109 537 L HA -0.164 4.180 4.340 0.008 0.000 0.207 537 L C 2.508 179.271 176.870 -0.179 0.000 1.086 537 L CA 1.573 56.203 54.840 -0.351 0.000 0.760 537 L CB -0.528 41.368 42.059 -0.271 0.000 0.910 537 L HN 0.263 nan 8.230 nan 0.000 0.437 538 E N 0.255 120.369 120.200 -0.143 0.000 2.085 538 E HA -0.250 4.105 4.350 0.008 0.000 0.194 538 E C 2.234 178.802 176.600 -0.053 0.000 0.994 538 E CA 1.585 57.971 56.400 -0.023 0.000 0.801 538 E CB 0.062 29.798 29.700 0.060 0.000 0.743 538 E HN 0.470 nan 8.360 nan 0.000 0.453 539 S N 0.039 115.661 115.700 -0.130 0.000 2.469 539 S HA -0.101 4.374 4.470 0.008 0.000 0.238 539 S C 1.291 175.803 174.600 -0.148 0.000 0.998 539 S CA 0.808 58.927 58.200 -0.135 0.000 0.957 539 S CB -0.056 63.039 63.200 -0.174 0.000 0.764 539 S HN 0.154 nan 8.310 nan 0.000 0.514 540 K N 0.345 120.642 120.400 -0.171 0.000 2.514 540 K HA 0.332 4.657 4.320 0.008 0.000 0.207 540 K C -0.162 176.463 176.600 0.041 0.000 1.035 540 K CA -0.406 55.834 56.287 -0.079 0.000 1.113 540 K CB 0.273 32.716 32.500 -0.096 0.000 0.846 540 K HN 0.128 nan 8.250 nan 0.000 0.491 541 R N 0.426 120.945 120.500 0.031 0.000 3.741 541 R HA -0.199 4.146 4.340 0.008 0.000 0.292 541 R C -0.621 175.749 176.300 0.117 0.000 1.176 541 R CA 0.412 56.550 56.100 0.063 0.000 0.794 541 R CB -2.124 28.203 30.300 0.046 0.000 1.213 541 R HN 0.257 nan 8.270 nan 0.000 0.494 542 F N 0.094 120.039 119.950 -0.008 0.000 2.371 542 F HA 0.403 4.935 4.527 0.008 0.000 0.363 542 F C 0.302 176.134 175.800 0.053 0.000 1.122 542 F CA -0.891 57.131 58.000 0.036 0.000 1.129 542 F CB 0.767 39.793 39.000 0.043 0.000 1.173 542 F HN -0.214 nan 8.300 nan 0.000 0.489 543 V N 6.950 126.652 119.914 -0.354 0.000 2.583 543 V HA 0.035 4.160 4.120 0.008 0.000 0.287 543 V C 0.688 176.602 176.094 -0.299 0.000 1.051 543 V CA 0.000 62.198 62.300 -0.171 0.000 1.010 543 V CB 1.256 33.026 31.823 -0.089 0.000 0.988 543 V HN 0.923 nan 8.190 nan 0.000 0.478 544 H N 3.319 122.393 119.070 0.008 0.000 2.516 544 H HA 0.173 4.734 4.556 0.008 0.000 0.284 544 H C 1.655 177.019 175.328 0.059 0.000 0.999 544 H CA 1.008 57.150 56.048 0.157 0.000 1.303 544 H CB 0.210 30.118 29.762 0.243 0.000 1.452 544 H HN 0.694 nan 8.280 nan 0.000 0.530 545 R N -1.333 119.260 120.500 0.155 0.000 3.769 545 R HA -0.207 4.138 4.340 0.008 0.000 0.443 545 R C -0.710 175.679 176.300 0.148 0.000 0.647 545 R CA 1.534 57.675 56.100 0.067 0.000 1.563 545 R CB -1.687 28.438 30.300 -0.291 0.000 2.174 545 R HN 0.440 nan 8.270 nan 0.000 0.403 546 D N 0.164 120.716 120.400 0.254 0.000 2.517 546 D HA 0.340 4.985 4.640 0.008 0.000 0.263 546 D C -1.058 175.466 176.300 0.372 0.000 1.233 546 D CA -0.327 53.812 54.000 0.232 0.000 0.849 546 D CB 0.446 41.263 40.800 0.028 0.000 1.261 546 D HN 0.141 nan 8.370 nan 0.000 0.516 547 I N 1.942 122.705 120.570 0.322 0.000 2.342 547 I HA 0.740 4.915 4.170 0.008 0.000 0.291 547 I C 0.298 176.535 176.117 0.201 0.000 1.010 547 I CA -0.151 61.265 61.300 0.193 0.000 1.308 547 I CB 1.523 39.683 38.000 0.266 0.000 1.400 547 I HN 0.369 nan 8.210 nan 0.000 0.488 548 A N 4.305 127.192 122.820 0.111 0.000 2.583 548 A HA 0.692 5.017 4.320 0.008 0.000 0.292 548 A C 0.245 177.892 177.584 0.105 0.000 1.045 548 A CA -0.084 52.011 52.037 0.098 0.000 0.672 548 A CB 0.463 19.224 19.000 -0.398 0.000 1.283 548 A HN 0.726 nan 8.150 nan 0.000 0.419 549 A N 0.517 123.455 122.820 0.197 0.000 2.067 549 A HA -0.069 4.256 4.320 0.008 0.000 0.219 549 A C 1.876 179.499 177.584 0.064 0.000 1.158 549 A CA 1.766 53.883 52.037 0.134 0.000 0.661 549 A CB -0.587 18.521 19.000 0.179 0.000 0.801 549 A HN 1.073 nan 8.150 nan 0.000 0.452 550 R N -0.558 119.959 120.500 0.029 0.000 2.189 550 R HA -0.003 4.342 4.340 0.008 0.000 0.223 550 R C 0.417 176.701 176.300 -0.025 0.000 1.092 550 R CA 1.473 57.566 56.100 -0.011 0.000 0.989 550 R CB -0.408 29.851 30.300 -0.069 0.000 0.876 550 R HN 0.347 nan 8.270 nan 0.000 0.457 551 N N 0.946 119.628 118.700 -0.030 0.000 2.251 551 N HA 0.119 4.864 4.740 0.008 0.000 0.217 551 N C -0.862 174.615 175.510 -0.055 0.000 1.124 551 N CA 0.087 53.115 53.050 -0.037 0.000 0.843 551 N CB 1.283 39.763 38.487 -0.012 0.000 1.024 551 N HN -0.011 nan 8.380 nan 0.000 0.501 552 V N 1.605 121.495 119.914 -0.040 0.000 2.581 552 V HA 0.532 4.657 4.120 0.008 0.000 0.303 552 V C 0.054 176.105 176.094 -0.072 0.000 1.041 552 V CA -0.753 61.513 62.300 -0.057 0.000 0.907 552 V CB 2.225 34.021 31.823 -0.045 0.000 0.994 552 V HN -0.048 nan 8.190 nan 0.000 0.442 553 L N 3.528 124.696 121.223 -0.090 0.000 2.333 553 L HA 0.749 5.094 4.340 0.008 0.000 0.263 553 L C -0.857 175.906 176.870 -0.178 0.000 1.014 553 L CA -1.056 53.720 54.840 -0.108 0.000 0.820 553 L CB 2.250 44.269 42.059 -0.067 0.000 1.352 553 L HN 0.316 nan 8.230 nan 0.000 0.421 554 V N 0.361 120.128 119.914 -0.245 0.000 2.347 554 V HA 0.203 4.328 4.120 0.008 0.000 0.280 554 V C 0.742 176.705 176.094 -0.219 0.000 1.021 554 V CA 0.010 62.078 62.300 -0.387 0.000 0.847 554 V CB 1.316 32.652 31.823 -0.811 0.000 0.990 554 V HN 0.983 nan 8.190 nan 0.000 0.444 555 S N 3.085 118.697 115.700 -0.148 0.000 2.517 555 S HA 0.620 5.095 4.470 0.008 0.000 0.214 555 S C 0.480 175.053 174.600 -0.045 0.000 0.991 555 S CA 0.464 58.623 58.200 -0.070 0.000 0.906 555 S CB 0.406 63.584 63.200 -0.038 0.000 0.789 555 S HN 1.374 nan 8.310 nan 0.000 0.513 556 A N -0.512 122.270 122.820 -0.063 0.000 2.544 556 A HA 0.604 4.929 4.320 0.008 0.000 0.291 556 A C 0.654 178.245 177.584 0.012 0.000 1.055 556 A CA 0.052 52.088 52.037 -0.001 0.000 0.651 556 A CB -0.368 18.650 19.000 0.030 0.000 1.296 556 A HN -0.069 nan 8.150 nan 0.000 0.431 557 T N 0.041 114.660 114.554 0.108 0.000 2.699 557 T HA -0.162 4.193 4.350 0.008 0.000 0.268 557 T C 0.865 175.713 174.700 0.246 0.000 1.036 557 T CA 2.649 64.877 62.100 0.213 0.000 1.147 557 T CB -0.469 68.522 68.868 0.205 0.000 0.862 557 T HN 0.811 nan 8.240 nan 0.000 0.446 558 D N -0.616 119.892 120.400 0.181 0.000 2.615 558 D HA 0.265 4.910 4.640 0.008 0.000 0.236 558 D C -0.332 176.094 176.300 0.210 0.000 1.233 558 D CA -0.477 53.639 54.000 0.194 0.000 0.829 558 D CB -0.800 40.071 40.800 0.119 0.000 1.024 558 D HN 0.232 nan 8.370 nan 0.000 0.490 559 C N 1.020 120.438 119.300 0.196 0.000 2.947 559 C HA 0.620 5.085 4.460 0.008 0.000 0.401 559 C C -0.929 174.083 174.990 0.035 0.000 1.019 559 C CA -0.567 58.550 59.018 0.166 0.000 1.230 559 C CB 0.229 28.050 27.740 0.135 0.000 1.644 559 C HN 0.269 nan 8.230 nan 0.000 0.523 560 V N 3.617 123.564 119.914 0.055 0.000 3.019 560 V HA 0.803 4.928 4.120 0.008 0.000 0.317 560 V C -0.770 175.368 176.094 0.074 0.000 1.094 560 V CA -0.633 61.628 62.300 -0.065 0.000 1.000 560 V CB 1.874 33.583 31.823 -0.190 0.000 1.060 560 V HN 0.893 nan 8.190 nan 0.000 0.443 561 K N 1.773 122.178 120.400 0.008 0.000 2.482 561 K HA 0.599 4.924 4.320 0.008 0.000 0.257 561 K C -1.524 175.077 176.600 0.002 0.000 0.969 561 K CA -0.793 55.524 56.287 0.051 0.000 0.842 561 K CB 3.067 35.590 32.500 0.037 0.000 1.359 561 K HN 0.632 nan 8.250 nan 0.000 0.441 562 L N 1.094 122.326 121.223 0.016 0.000 2.375 562 L HA 0.287 4.632 4.340 0.008 0.000 0.271 562 L C 0.904 177.694 176.870 -0.133 0.000 1.107 562 L CA 0.230 55.027 54.840 -0.073 0.000 0.806 562 L CB 1.373 43.382 42.059 -0.083 0.000 1.146 562 L HN 0.964 nan 8.230 nan 0.000 0.447 563 G N 1.082 109.717 108.800 -0.274 0.000 2.549 563 G HA2 -0.106 3.859 3.960 0.008 0.000 0.219 563 G HA3 -0.106 3.859 3.960 0.008 0.000 0.219 563 G C 0.852 175.514 174.900 -0.396 0.000 1.677 563 G CA 0.694 45.649 45.100 -0.241 0.000 0.929 563 G HN 0.749 nan 8.290 nan 0.000 0.549 564 D N 0.087 120.277 120.400 -0.349 0.000 2.106 564 D HA -0.082 4.563 4.640 0.008 0.000 0.203 564 D C 0.977 177.161 176.300 -0.193 0.000 0.977 564 D CA 0.563 54.430 54.000 -0.222 0.000 0.844 564 D CB -0.495 40.252 40.800 -0.089 0.000 1.002 564 D HN 0.382 nan 8.370 nan 0.000 0.461 565 F N -0.072 119.901 119.950 0.038 0.000 3.091 565 F HA -0.126 4.406 4.527 0.009 0.000 0.288 565 F C 0.810 176.586 175.800 -0.039 0.000 0.907 565 F CA 0.135 58.168 58.000 0.055 0.000 1.028 565 F CB -1.592 37.461 39.000 0.089 0.000 1.022 565 F HN 0.247 nan 8.300 nan 0.000 0.665 566 G N -0.048 108.736 108.800 -0.026 0.000 2.473 566 G HA2 0.735 4.700 3.960 0.008 0.000 0.321 566 G HA3 0.735 4.700 3.960 0.008 0.000 0.321 566 G C 0.001 174.820 174.900 -0.136 0.000 1.200 566 G CA -0.508 44.501 45.100 -0.152 0.000 0.963 566 G HN 0.825 nan 8.290 nan 0.000 0.483 584 L N 2.755 124.013 121.223 0.058 0.000 2.331 584 L HA 0.426 4.771 4.340 0.008 0.000 0.278 584 L C -1.380 175.552 176.870 0.102 0.000 1.106 584 L CA -1.664 53.223 54.840 0.079 0.000 0.824 584 L CB 0.903 43.019 42.059 0.094 0.000 1.142 584 L HN 0.219 nan 8.230 nan 0.000 0.443 585 P HA 0.013 nan 4.420 nan 0.000 0.235 585 P C 1.127 178.615 177.300 0.312 0.000 1.720 585 P CA -0.154 63.051 63.100 0.175 0.000 1.003 585 P CB 0.005 31.726 31.700 0.035 0.000 1.968 586 I N 1.287 121.997 120.570 0.234 0.000 2.118 586 I HA -0.273 3.902 4.170 0.008 0.000 0.241 586 I C 2.026 178.264 176.117 0.203 0.000 1.070 586 I CA 1.742 63.139 61.300 0.162 0.000 1.327 586 I CB -0.984 37.058 38.000 0.069 0.000 1.034 586 I HN 0.265 nan 8.210 nan 0.000 0.405 587 K N -0.733 119.826 120.400 0.266 0.000 2.360 587 K HA -0.185 4.140 4.320 0.008 0.000 0.201 587 K C 1.816 178.519 176.600 0.172 0.000 1.046 587 K CA 1.173 57.538 56.287 0.129 0.000 0.940 587 K CB -0.109 32.411 32.500 0.034 0.000 0.748 587 K HN 0.512 nan 8.250 nan 0.000 0.465 588 W N 0.432 121.850 121.300 0.196 0.000 3.177 588 W HA 0.227 4.890 4.660 0.006 0.000 0.309 588 W C 0.385 177.100 176.519 0.327 0.000 1.224 588 W CA -0.505 57.000 57.345 0.266 0.000 1.718 588 W CB 0.208 29.811 29.460 0.237 0.000 1.078 588 W HN 0.010 nan 8.180 nan 0.000 0.618 589 M N 0.490 120.317 119.600 0.379 0.000 2.250 589 M HA 0.347 4.832 4.480 0.008 0.000 0.344 589 M C 0.666 176.712 176.300 -0.423 0.000 1.150 589 M CA -0.175 55.187 55.300 0.103 0.000 1.147 589 M CB 1.098 33.733 32.600 0.058 0.000 1.498 589 M HN -0.257 nan 8.290 nan 0.000 0.461 590 A N 3.853 126.224 122.820 -0.750 0.000 2.406 590 A HA 0.315 4.640 4.320 0.008 0.000 0.243 590 A C -1.931 175.046 177.584 -1.013 0.000 1.082 590 A CA -1.223 49.920 52.037 -1.490 0.000 0.786 590 A CB -0.422 18.105 19.000 -0.788 0.000 1.029 590 A HN 0.630 nan 8.150 nan 0.000 0.495 591 P HA -0.160 nan 4.420 nan 0.000 0.217 591 P C 1.285 178.229 177.300 -0.592 0.000 1.150 591 P CA 1.472 64.115 63.100 -0.762 0.000 0.832 591 P CB 0.073 31.190 31.700 -0.973 0.000 0.787 592 E N -0.189 119.687 120.200 -0.539 0.000 2.268 592 E HA -0.091 4.264 4.350 0.008 0.000 0.195 592 E C 1.363 177.750 176.600 -0.354 0.000 0.995 592 E CA 1.242 57.459 56.400 -0.305 0.000 0.836 592 E CB -0.884 28.753 29.700 -0.106 0.000 0.763 592 E HN 0.165 nan 8.360 nan 0.000 0.491 593 S N 1.148 116.547 115.700 -0.503 0.000 2.377 593 S HA 0.061 4.536 4.470 0.008 0.000 0.223 593 S C 2.085 176.459 174.600 -0.377 0.000 1.030 593 S CA 0.826 58.631 58.200 -0.660 0.000 0.970 593 S CB -0.170 62.566 63.200 -0.774 0.000 0.830 593 S HN 0.272 nan 8.310 nan 0.000 0.473 594 I N 1.919 122.296 120.570 -0.322 0.000 2.676 594 I HA -0.079 4.096 4.170 0.008 0.000 0.259 594 I C 1.855 177.823 176.117 -0.249 0.000 1.194 594 I CA 0.670 61.842 61.300 -0.212 0.000 1.473 594 I CB -0.301 37.580 38.000 -0.198 0.000 1.096 594 I HN 0.228 nan 8.210 nan 0.000 0.443 595 N N 0.751 119.194 118.700 -0.427 0.000 2.333 595 N HA 0.046 4.791 4.740 0.008 0.000 0.183 595 N C 0.986 176.077 175.510 -0.697 0.000 1.030 595 N CA 1.200 53.834 53.050 -0.694 0.000 0.867 595 N CB 0.087 37.860 38.487 -1.190 0.000 1.027 595 N HN 0.231 nan 8.380 nan 0.000 0.435 596 F N 0.422 120.258 119.950 -0.190 0.000 2.698 596 F HA 0.446 4.979 4.527 0.010 0.000 0.304 596 F C 0.433 176.256 175.800 0.038 0.000 1.108 596 F CA -0.525 57.338 58.000 -0.229 0.000 1.263 596 F CB 0.064 38.803 39.000 -0.435 0.000 1.013 596 F HN -0.248 nan 8.300 nan 0.000 0.532 597 R N 0.390 120.960 120.500 0.117 0.000 3.722 597 R HA -0.197 4.148 4.340 0.008 0.000 0.284 597 R C -0.233 176.111 176.300 0.073 0.000 1.165 597 R CA 0.353 56.545 56.100 0.153 0.000 0.779 597 R CB -1.125 29.366 30.300 0.317 0.000 1.179 597 R HN 0.072 nan 8.270 nan 0.000 0.491 598 R N 0.267 120.679 120.500 -0.147 0.000 2.357 598 R HA 0.314 4.659 4.340 0.008 0.000 0.296 598 R C -0.394 175.643 176.300 -0.440 0.000 1.052 598 R CA -0.090 55.941 56.100 -0.115 0.000 0.988 598 R CB 0.385 30.662 30.300 -0.038 0.000 1.025 598 R HN -0.001 nan 8.270 nan 0.000 0.469 599 F N 0.882 120.855 119.950 0.037 0.000 2.771 599 F HA 0.220 4.752 4.527 0.007 0.000 0.365 599 F C 0.439 176.255 175.800 0.026 0.000 1.169 599 F CA -0.539 57.479 58.000 0.030 0.000 1.093 599 F CB 1.619 40.632 39.000 0.020 0.000 1.363 599 F HN 0.391 nan 8.300 nan 0.000 0.496 600 T N -2.266 112.378 114.554 0.149 0.000 2.927 600 T HA 0.343 4.698 4.350 0.008 0.000 0.286 600 T C 1.143 175.941 174.700 0.164 0.000 1.040 600 T CA -0.666 61.505 62.100 0.119 0.000 1.010 600 T CB 1.646 70.552 68.868 0.064 0.000 1.177 600 T HN 0.207 nan 8.240 nan 0.000 0.546 601 S N 0.607 116.404 115.700 0.162 0.000 2.380 601 S HA -0.160 4.315 4.470 0.008 0.000 0.229 601 S C 2.401 177.127 174.600 0.210 0.000 1.043 601 S CA 1.518 59.868 58.200 0.251 0.000 1.038 601 S CB -1.046 62.293 63.200 0.232 0.000 0.872 601 S HN 0.906 nan 8.310 nan 0.000 0.456 602 A N 1.127 124.009 122.820 0.104 0.000 2.070 602 A HA -0.081 4.244 4.320 0.008 0.000 0.220 602 A C 2.298 179.947 177.584 0.109 0.000 1.159 602 A CA 1.816 53.887 52.037 0.057 0.000 0.656 602 A CB -0.681 18.338 19.000 0.032 0.000 0.800 602 A HN 0.617 nan 8.150 nan 0.000 0.453 603 S N -0.449 115.327 115.700 0.126 0.000 2.406 603 S HA -0.112 4.363 4.470 0.008 0.000 0.224 603 S C 1.490 176.269 174.600 0.300 0.000 1.030 603 S CA 1.175 59.453 58.200 0.129 0.000 0.958 603 S CB -0.383 62.833 63.200 0.025 0.000 0.811 603 S HN 0.397 nan 8.310 nan 0.000 0.489 604 D N 1.589 122.201 120.400 0.353 0.000 2.123 604 D HA -0.067 4.578 4.640 0.008 0.000 0.196 604 D C 2.013 178.669 176.300 0.593 0.000 0.992 604 D CA 1.190 55.488 54.000 0.498 0.000 0.833 604 D CB -0.502 40.640 40.800 0.570 0.000 0.954 604 D HN 0.332 nan 8.370 nan 0.000 0.455 605 V N 0.615 120.716 119.914 0.312 0.000 2.343 605 V HA -0.195 3.930 4.120 0.008 0.000 0.247 605 V C 2.145 178.447 176.094 0.346 0.000 1.051 605 V CA 1.327 63.654 62.300 0.044 0.000 1.036 605 V CB -0.528 31.082 31.823 -0.355 0.000 0.654 605 V HN 0.414 nan 8.190 nan 0.000 0.451 606 W N 0.863 122.291 121.300 0.213 0.000 2.315 606 W HA -0.255 4.409 4.660 0.007 0.000 0.323 606 W C 2.403 179.185 176.519 0.439 0.000 1.233 606 W CA 2.439 59.985 57.345 0.335 0.000 1.267 606 W CB -0.591 29.006 29.460 0.228 0.000 1.160 606 W HN 0.250 nan 8.180 nan 0.000 0.474 607 M N -0.544 119.538 119.600 0.804 0.000 2.080 607 M HA -0.246 4.239 4.480 0.008 0.000 0.260 607 M C 2.328 178.981 176.300 0.588 0.000 1.068 607 M CA 2.242 57.966 55.300 0.707 0.000 1.109 607 M CB -1.391 31.581 32.600 0.622 0.000 1.342 607 M HN -0.035 nan 8.290 nan 0.000 0.405 608 F N 1.226 121.428 119.950 0.420 0.000 2.202 608 F HA -0.149 4.383 4.527 0.009 0.000 0.301 608 F C 2.136 178.091 175.800 0.258 0.000 1.082 608 F CA 1.516 59.719 58.000 0.339 0.000 1.313 608 F CB -0.365 38.886 39.000 0.418 0.000 1.024 608 F HN 0.094 nan 8.300 nan 0.000 0.495 609 G N -0.059 108.833 108.800 0.154 0.000 2.433 609 G HA2 -0.241 3.724 3.960 0.008 0.000 0.216 609 G HA3 -0.241 3.724 3.960 0.008 0.000 0.216 609 G C 1.648 176.717 174.900 0.281 0.000 1.186 609 G CA 1.171 46.233 45.100 -0.064 0.000 0.779 609 G HN 0.308 nan 8.290 nan 0.000 0.543 610 V N 0.115 120.323 119.914 0.489 0.000 2.490 610 V HA -0.202 3.923 4.120 0.008 0.000 0.250 610 V C 2.921 179.197 176.094 0.304 0.000 1.061 610 V CA 1.578 64.054 62.300 0.293 0.000 1.064 610 V CB -0.641 31.177 31.823 -0.007 0.000 0.670 610 V HN 0.583 nan 8.190 nan 0.000 0.461 611 C N -0.141 119.328 119.300 0.282 0.000 2.432 611 C HA -0.195 4.270 4.460 0.008 0.000 0.277 611 C C 2.869 177.901 174.990 0.071 0.000 1.249 611 C CA 1.476 60.634 59.018 0.232 0.000 1.725 611 C CB -0.792 27.071 27.740 0.204 0.000 2.028 611 C HN 0.551 nan 8.230 nan 0.000 0.477 612 M N -1.067 118.432 119.600 -0.169 0.000 2.106 612 M HA -0.204 4.281 4.480 0.008 0.000 0.259 612 M C 2.056 178.361 176.300 0.009 0.000 1.068 612 M CA 2.369 57.547 55.300 -0.203 0.000 1.100 612 M CB -0.698 31.655 32.600 -0.411 0.000 1.351 612 M HN 0.741 nan 8.290 nan 0.000 0.404 613 W N 1.684 122.955 121.300 -0.048 0.000 2.332 613 W HA -0.217 4.448 4.660 0.008 0.000 0.321 613 W C 2.167 178.674 176.519 -0.020 0.000 1.219 613 W CA 1.915 59.268 57.345 0.014 0.000 1.277 613 W CB -0.340 29.191 29.460 0.118 0.000 1.161 613 W HN 0.197 nan 8.180 nan 0.000 0.476 614 E N -0.010 120.402 120.200 0.353 0.000 2.086 614 E HA -0.311 4.044 4.350 0.008 0.000 0.200 614 E C 2.064 178.650 176.600 -0.024 0.000 1.012 614 E CA 2.227 58.740 56.400 0.189 0.000 0.812 614 E CB -0.624 29.266 29.700 0.317 0.000 0.743 614 E HN 0.412 nan 8.360 nan 0.000 0.453 615 I N 0.787 121.353 120.570 -0.007 0.000 2.076 615 I HA -0.293 3.882 4.170 0.008 0.000 0.237 615 I C 2.344 178.328 176.117 -0.222 0.000 1.059 615 I CA 0.812 62.084 61.300 -0.047 0.000 1.317 615 I CB -0.330 37.678 38.000 0.013 0.000 1.037 615 I HN 0.174 nan 8.210 nan 0.000 0.398 616 L N 0.080 121.143 121.223 -0.267 0.000 2.187 616 L HA -0.157 4.188 4.340 0.008 0.000 0.213 616 L C 2.089 178.626 176.870 -0.556 0.000 1.100 616 L CA 1.677 56.282 54.840 -0.392 0.000 0.765 616 L CB -0.850 41.040 42.059 -0.282 0.000 0.904 616 L HN 0.376 nan 8.230 nan 0.000 0.437 617 M N -0.899 118.350 119.600 -0.584 0.000 2.608 617 M HA 0.060 4.545 4.480 0.008 0.000 0.224 617 M C 0.156 176.300 176.300 -0.261 0.000 1.204 617 M CA 0.057 55.019 55.300 -0.563 0.000 0.984 617 M CB -0.985 31.005 32.600 -1.017 0.000 1.691 617 M HN 0.269 nan 8.290 nan 0.000 0.469 618 H N 0.010 118.969 119.070 -0.186 0.000 2.741 618 H HA -0.184 4.376 4.556 0.008 0.000 0.305 618 H C 1.211 176.498 175.328 -0.069 0.000 1.169 618 H CA 1.013 56.989 56.048 -0.120 0.000 1.144 618 H CB -1.929 27.723 29.762 -0.183 0.000 1.397 618 H HN 0.744 nan 8.280 nan 0.000 0.409 619 G N -1.279 107.536 108.800 0.026 0.000 2.132 619 G HA2 -0.261 3.704 3.960 0.008 0.000 0.228 619 G HA3 -0.261 3.704 3.960 0.008 0.000 0.228 619 G C 0.249 175.205 174.900 0.094 0.000 1.000 619 G CA 0.139 45.286 45.100 0.079 0.000 0.693 619 G HN 0.445 nan 8.290 nan 0.000 0.515 620 V N 0.635 120.583 119.914 0.057 0.000 2.686 620 V HA 0.378 4.503 4.120 0.008 0.000 0.295 620 V C 1.019 177.251 176.094 0.231 0.000 1.057 620 V CA -0.461 61.902 62.300 0.105 0.000 1.012 620 V CB 1.554 33.403 31.823 0.042 0.000 1.006 620 V HN 0.328 nan 8.190 nan 0.000 0.477 621 K N 5.293 125.835 120.400 0.237 0.000 2.326 621 K HA 0.274 4.599 4.320 0.008 0.000 0.275 621 K C -2.339 174.346 176.600 0.143 0.000 1.018 621 K CA -1.282 55.146 56.287 0.235 0.000 0.962 621 K CB 0.495 33.136 32.500 0.235 0.000 0.953 621 K HN 0.459 nan 8.250 nan 0.000 0.475 622 P HA -0.054 nan 4.420 nan 0.000 0.268 622 P C -0.648 176.371 177.300 -0.468 0.000 1.205 622 P CA 0.021 62.658 63.100 -0.772 0.000 0.771 622 P CB 0.066 31.064 31.700 -1.170 0.000 0.858 623 F N -1.379 118.377 119.950 -0.323 0.000 2.667 623 F HA -0.218 4.314 4.527 0.008 0.000 0.250 623 F C 0.855 176.612 175.800 -0.073 0.000 1.029 623 F CA 0.517 58.409 58.000 -0.180 0.000 0.944 623 F CB -2.295 36.582 39.000 -0.205 0.000 0.994 623 F HN 0.389 nan 8.300 nan 0.000 0.842 624 Q N 0.889 120.747 119.800 0.097 0.000 2.332 624 Q HA 0.384 4.729 4.340 0.008 0.000 0.263 624 Q C 1.296 177.355 176.000 0.099 0.000 0.979 624 Q CA 0.719 56.585 55.803 0.104 0.000 0.885 624 Q CB 1.135 29.931 28.738 0.097 0.000 1.218 624 Q HN 0.822 nan 8.270 nan 0.000 0.405 625 G N 1.547 110.399 108.800 0.087 0.000 2.179 625 G HA2 -0.239 3.726 3.960 0.008 0.000 0.257 625 G HA3 -0.239 3.726 3.960 0.008 0.000 0.257 625 G C -0.225 174.712 174.900 0.061 0.000 1.010 625 G CA 0.255 45.395 45.100 0.067 0.000 0.736 625 G HN 0.442 nan 8.290 nan 0.000 0.513 626 V N -0.142 119.814 119.914 0.070 0.000 2.448 626 V HA 0.486 4.611 4.120 0.008 0.000 0.295 626 V C 0.581 176.674 176.094 -0.002 0.000 1.025 626 V CA -1.258 61.059 62.300 0.029 0.000 0.859 626 V CB 1.721 33.557 31.823 0.021 0.000 0.988 626 V HN 0.343 nan 8.190 nan 0.000 0.431 627 K N 2.637 123.027 120.400 -0.016 0.000 2.219 627 K HA 0.249 4.574 4.320 0.008 0.000 0.258 627 K C 0.771 177.333 176.600 -0.065 0.000 1.008 627 K CA -0.502 55.773 56.287 -0.021 0.000 0.928 627 K CB 0.464 32.957 32.500 -0.011 0.000 0.983 627 K HN 0.504 nan 8.250 nan 0.000 0.484 628 N N 1.637 120.305 118.700 -0.053 0.000 2.166 628 N HA -0.145 4.600 4.740 0.008 0.000 0.186 628 N C 1.022 176.467 175.510 -0.109 0.000 1.019 628 N CA 1.354 54.352 53.050 -0.086 0.000 0.856 628 N CB -0.292 38.174 38.487 -0.035 0.000 0.993 628 N HN 0.498 nan 8.380 nan 0.000 0.426 629 N N 0.605 119.261 118.700 -0.074 0.000 2.188 629 N HA -0.088 4.657 4.740 0.008 0.000 0.184 629 N C 0.795 176.253 175.510 -0.086 0.000 1.018 629 N CA 1.007 54.015 53.050 -0.069 0.000 0.858 629 N CB 0.069 38.531 38.487 -0.041 0.000 0.989 629 N HN 0.272 nan 8.380 nan 0.000 0.426 630 D N 0.154 120.498 120.400 -0.095 0.000 2.144 630 D HA -0.085 4.560 4.640 0.008 0.000 0.200 630 D C 1.972 178.173 176.300 -0.164 0.000 0.978 630 D CA 0.657 54.598 54.000 -0.099 0.000 0.833 630 D CB -0.416 40.339 40.800 -0.076 0.000 0.961 630 D HN 0.104 nan 8.370 nan 0.000 0.470 631 V N 2.553 122.308 119.914 -0.265 0.000 2.244 631 V HA -0.231 3.894 4.120 0.008 0.000 0.244 631 V C 2.749 178.654 176.094 -0.316 0.000 1.042 631 V CA 1.652 63.665 62.300 -0.478 0.000 1.006 631 V CB -0.733 30.644 31.823 -0.742 0.000 0.641 631 V HN 0.236 nan 8.190 nan 0.000 0.446 632 I N 0.131 120.574 120.570 -0.212 0.000 2.264 632 I HA -0.095 4.080 4.170 0.008 0.000 0.248 632 I C 2.347 178.415 176.117 -0.081 0.000 1.111 632 I CA 2.176 63.399 61.300 -0.129 0.000 1.382 632 I CB -1.211 36.726 38.000 -0.104 0.000 1.060 632 I HN 0.220 nan 8.210 nan 0.000 0.418 633 G N 1.085 109.835 108.800 -0.084 0.000 2.421 633 G HA2 -0.195 3.770 3.960 0.008 0.000 0.216 633 G HA3 -0.195 3.770 3.960 0.008 0.000 0.216 633 G C 1.835 176.710 174.900 -0.042 0.000 1.171 633 G CA 0.791 45.859 45.100 -0.053 0.000 0.775 633 G HN 0.400 nan 8.290 nan 0.000 0.543 634 R N -0.290 120.171 120.500 -0.064 0.000 2.066 634 R HA 0.044 4.389 4.340 0.008 0.000 0.232 634 R C 2.574 178.876 176.300 0.003 0.000 1.131 634 R CA 0.908 56.987 56.100 -0.034 0.000 0.955 634 R CB -0.430 29.841 30.300 -0.048 0.000 0.851 634 R HN 0.252 nan 8.270 nan 0.000 0.432 635 I N 1.280 121.848 120.570 -0.004 0.000 2.145 635 I HA -0.283 3.892 4.170 0.008 0.000 0.244 635 I C 2.216 178.419 176.117 0.144 0.000 1.075 635 I CA 1.636 62.996 61.300 0.100 0.000 1.332 635 I CB -0.839 37.222 38.000 0.103 0.000 1.033 635 I HN 0.186 nan 8.210 nan 0.000 0.410 636 E N 1.049 121.299 120.200 0.084 0.000 2.153 636 E HA -0.189 4.166 4.350 0.008 0.000 0.194 636 E C 1.752 178.338 176.600 -0.022 0.000 0.988 636 E CA 1.246 57.676 56.400 0.049 0.000 0.811 636 E CB -0.085 29.627 29.700 0.020 0.000 0.746 636 E HN 0.412 nan 8.360 nan 0.000 0.466 637 N N -1.786 116.912 118.700 -0.003 0.000 2.415 637 N HA 0.134 4.879 4.740 0.008 0.000 0.176 637 N C 0.800 176.311 175.510 0.001 0.000 1.042 637 N CA 1.007 54.050 53.050 -0.012 0.000 0.902 637 N CB 1.057 39.540 38.487 -0.006 0.000 0.986 637 N HN 0.253 nan 8.380 nan 0.000 0.447 638 G N -0.466 108.353 108.800 0.032 0.000 2.485 638 G HA2 -0.187 3.777 3.960 0.008 0.000 0.181 638 G HA3 -0.187 3.777 3.960 0.008 0.000 0.181 638 G C -0.320 174.623 174.900 0.072 0.000 0.999 638 G CA -0.579 44.553 45.100 0.054 0.000 0.721 638 G HN 0.229 nan 8.290 nan 0.000 0.486 639 E N 1.466 121.702 120.200 0.060 0.000 2.414 639 E HA 0.549 4.904 4.350 0.008 0.000 0.263 639 E C 0.845 177.483 176.600 0.064 0.000 1.000 639 E CA 0.415 56.853 56.400 0.063 0.000 0.914 639 E CB 0.528 30.261 29.700 0.055 0.000 0.948 639 E HN 0.238 nan 8.360 nan 0.000 0.444 640 R N 1.738 122.271 120.500 0.055 0.000 3.018 640 R HA 0.489 4.834 4.340 0.008 0.000 0.243 640 R C -0.492 175.744 176.300 -0.106 0.000 1.315 640 R CA -1.075 55.007 56.100 -0.031 0.000 1.039 640 R CB 0.397 30.754 30.300 0.096 0.000 1.315 640 R HN 0.447 nan 8.270 nan 0.000 0.492 641 L N 3.863 124.864 121.223 -0.370 0.000 2.380 641 L HA 0.263 4.608 4.340 0.008 0.000 0.273 641 L C -1.622 175.331 176.870 0.139 0.000 1.138 641 L CA -1.496 53.063 54.840 -0.468 0.000 0.832 641 L CB 0.540 41.846 42.059 -1.254 0.000 1.124 641 L HN 0.245 nan 8.230 nan 0.000 0.454 642 P HA 0.025 nan 4.420 nan 0.000 0.274 642 P C -0.595 176.916 177.300 0.352 0.000 1.246 642 P CA -0.699 62.550 63.100 0.247 0.000 0.795 642 P CB 0.763 32.551 31.700 0.146 0.000 1.006 643 M N 3.216 122.732 119.600 -0.140 0.000 2.307 643 M HA 0.149 4.634 4.480 0.008 0.000 0.346 643 M C -2.002 174.241 176.300 -0.094 0.000 1.552 643 M CA -1.524 53.566 55.300 -0.350 0.000 1.116 643 M CB -0.003 32.083 32.600 -0.857 0.000 1.889 643 M HN 0.167 nan 8.290 nan 0.000 0.460 644 P HA 0.164 nan 4.420 nan 0.000 0.268 644 P C -2.707 174.510 177.300 -0.139 0.000 1.205 644 P CA -0.902 62.080 63.100 -0.197 0.000 0.771 644 P CB -0.569 30.900 31.700 -0.384 0.000 0.858 645 P HA -0.115 nan 4.420 nan 0.000 0.263 645 P C 0.466 177.725 177.300 -0.069 0.000 1.175 645 P CA 0.606 63.662 63.100 -0.073 0.000 0.761 645 P CB 0.098 31.770 31.700 -0.047 0.000 0.794 646 N N -1.832 116.836 118.700 -0.055 0.000 2.994 646 N HA -0.146 4.599 4.740 0.008 0.000 0.221 646 N C -0.106 175.373 175.510 -0.051 0.000 0.900 646 N CA 0.553 53.577 53.050 -0.042 0.000 1.008 646 N CB -1.657 36.816 38.487 -0.023 0.000 1.053 646 N HN 0.517 nan 8.380 nan 0.000 0.580 647 C N 3.653 122.915 119.300 -0.062 0.000 2.566 647 C HA 0.313 4.778 4.460 0.008 0.000 0.393 647 C C -1.823 173.157 174.990 -0.017 0.000 1.309 647 C CA -1.179 57.815 59.018 -0.040 0.000 1.801 647 C CB -0.334 27.397 27.740 -0.015 0.000 2.493 647 C HN 0.126 nan 8.230 nan 0.000 0.575 648 P HA 0.064 nan 4.420 nan 0.000 0.258 648 P C -1.747 175.567 177.300 0.024 0.000 1.172 648 P CA -0.577 62.521 63.100 -0.003 0.000 0.762 648 P CB 0.194 31.888 31.700 -0.010 0.000 0.764 649 P HA -0.180 nan 4.420 nan 0.000 0.225 649 P C 1.013 178.359 177.300 0.077 0.000 1.148 649 P CA 1.407 64.543 63.100 0.061 0.000 0.779 649 P CB -0.367 31.351 31.700 0.029 0.000 0.780 650 T N -0.265 114.310 114.554 0.035 0.000 2.614 650 T HA -0.178 4.177 4.350 0.008 0.000 0.263 650 T C 1.847 176.547 174.700 0.000 0.000 1.055 650 T CA 0.968 63.077 62.100 0.014 0.000 1.162 650 T CB -1.397 67.471 68.868 0.001 0.000 0.863 650 T HN -0.015 nan 8.240 nan 0.000 0.414 651 L N 0.626 121.848 121.223 -0.003 0.000 2.021 651 L HA -0.167 4.178 4.340 0.008 0.000 0.215 651 L C 2.371 179.206 176.870 -0.058 0.000 1.074 651 L CA 1.882 56.704 54.840 -0.030 0.000 0.760 651 L CB -1.310 40.736 42.059 -0.022 0.000 0.889 651 L HN 0.413 nan 8.230 nan 0.000 0.433 652 Y N 0.107 120.350 120.300 -0.095 0.000 2.256 652 Y HA -0.274 4.280 4.550 0.008 0.000 0.288 652 Y C 2.791 178.606 175.900 -0.143 0.000 1.155 652 Y CA 1.968 60.003 58.100 -0.107 0.000 1.203 652 Y CB -0.509 37.924 38.460 -0.046 0.000 0.980 652 Y HN 0.525 nan 8.280 nan 0.000 0.530 653 S N -0.644 114.967 115.700 -0.149 0.000 2.406 653 S HA -0.167 4.308 4.470 0.008 0.000 0.228 653 S C 1.967 176.390 174.600 -0.295 0.000 1.020 653 S CA 1.057 59.128 58.200 -0.214 0.000 0.965 653 S CB -0.915 62.258 63.200 -0.046 0.000 0.798 653 S HN 0.428 nan 8.310 nan 0.000 0.488 654 L N 1.450 122.524 121.223 -0.250 0.000 2.012 654 L HA 0.024 4.369 4.340 0.008 0.000 0.210 654 L C 2.726 179.326 176.870 -0.450 0.000 1.073 654 L CA 1.922 56.608 54.840 -0.256 0.000 0.748 654 L CB -0.612 41.351 42.059 -0.159 0.000 0.891 654 L HN 0.356 nan 8.230 nan 0.000 0.431 655 M N -1.359 117.856 119.600 -0.642 0.000 2.106 655 M HA -0.234 4.251 4.480 0.008 0.000 0.259 655 M C 2.089 177.457 176.300 -1.552 0.000 1.068 655 M CA 2.438 57.050 55.300 -1.146 0.000 1.100 655 M CB -1.032 30.834 32.600 -1.223 0.000 1.351 655 M HN 0.521 nan 8.290 nan 0.000 0.404 656 T N -2.134 111.793 114.554 -1.045 0.000 3.023 656 T HA -0.021 4.334 4.350 0.008 0.000 0.266 656 T C 1.740 176.238 174.700 -0.337 0.000 1.093 656 T CA 0.641 62.391 62.100 -0.584 0.000 1.129 656 T CB -0.184 68.461 68.868 -0.373 0.000 0.899 656 T HN 0.320 nan 8.240 nan 0.000 0.491 657 K N 0.175 120.370 120.400 -0.343 0.000 2.148 657 K HA 0.020 4.345 4.320 0.008 0.000 0.204 657 K C 2.233 178.723 176.600 -0.184 0.000 1.050 657 K CA 1.130 57.300 56.287 -0.194 0.000 0.942 657 K CB -0.391 32.014 32.500 -0.158 0.000 0.724 657 K HN 0.420 nan 8.250 nan 0.000 0.446 658 C N -0.308 118.781 119.300 -0.352 0.000 2.448 658 C HA -0.042 4.423 4.460 0.008 0.000 0.280 658 C C 1.373 176.290 174.990 -0.121 0.000 1.398 658 C CA -0.133 58.720 59.018 -0.274 0.000 1.774 658 C CB -0.778 26.709 27.740 -0.422 0.000 1.888 658 C HN 0.543 nan 8.230 nan 0.000 0.519 659 W N 1.238 122.346 121.300 -0.320 0.000 3.269 659 W HA 0.524 5.191 4.660 0.011 0.000 0.413 659 W C 0.759 177.249 176.519 -0.048 0.000 1.057 659 W CA -1.422 55.583 57.345 -0.567 0.000 1.953 659 W CB -1.243 27.737 29.460 -0.801 0.000 1.053 659 W HN 0.197 nan 8.180 nan 0.000 0.753 660 A N 0.597 123.575 122.820 0.263 0.000 2.484 660 A HA 0.009 4.334 4.320 0.008 0.000 0.268 660 A C 0.875 178.704 177.584 0.407 0.000 1.114 660 A CA -0.113 52.093 52.037 0.281 0.000 0.780 660 A CB -0.060 19.038 19.000 0.162 0.000 1.061 660 A HN 0.387 nan 8.150 nan 0.000 0.505 661 Y N 2.624 123.097 120.300 0.289 0.000 2.040 661 Y HA -0.223 4.332 4.550 0.007 0.000 0.275 661 Y C 1.297 177.280 175.900 0.139 0.000 1.171 661 Y CA 2.466 60.701 58.100 0.225 0.000 1.123 661 Y CB 0.067 38.613 38.460 0.144 0.000 0.963 661 Y HN 0.737 nan 8.280 nan 0.000 0.493 662 D N 1.373 121.959 120.400 0.310 0.000 2.349 662 D HA -0.014 4.631 4.640 0.008 0.000 0.266 662 D C -1.749 174.618 176.300 0.112 0.000 1.293 662 D CA -1.920 52.186 54.000 0.177 0.000 0.926 662 D CB 0.842 41.736 40.800 0.157 0.000 1.090 662 D HN 0.157 nan 8.370 nan 0.000 0.502 663 P HA -0.164 nan 4.420 nan 0.000 0.223 663 P C 0.939 178.266 177.300 0.044 0.000 1.144 663 P CA 0.839 63.967 63.100 0.047 0.000 0.783 663 P CB 0.050 31.749 31.700 -0.002 0.000 0.771 664 S N -1.002 114.722 115.700 0.041 0.000 2.496 664 S HA 0.071 4.546 4.470 0.008 0.000 0.224 664 S C 1.923 176.541 174.600 0.030 0.000 0.996 664 S CA 0.008 58.225 58.200 0.028 0.000 0.927 664 S CB -0.585 62.629 63.200 0.024 0.000 0.774 664 S HN 0.071 nan 8.310 nan 0.000 0.524 665 R N 0.922 121.450 120.500 0.047 0.000 2.310 665 R HA 0.250 4.595 4.340 0.008 0.000 0.202 665 R C 0.270 176.588 176.300 0.030 0.000 0.933 665 R CA -0.059 56.066 56.100 0.042 0.000 1.054 665 R CB 0.199 30.535 30.300 0.060 0.000 0.985 665 R HN 0.379 nan 8.270 nan 0.000 0.489 666 R N 1.252 121.771 120.500 0.032 0.000 2.539 666 R HA 0.180 4.525 4.340 0.008 0.000 0.275 666 R C -2.289 173.987 176.300 -0.040 0.000 1.077 666 R CA -1.830 54.275 56.100 0.007 0.000 1.097 666 R CB -0.027 30.294 30.300 0.036 0.000 1.018 666 R HN -0.107 nan 8.270 nan 0.000 0.483 667 P HA 0.008 nan 4.420 nan 0.000 0.269 667 P C -0.160 177.054 177.300 -0.143 0.000 1.217 667 P CA -0.070 62.976 63.100 -0.090 0.000 0.783 667 P CB 0.544 32.186 31.700 -0.098 0.000 0.898 668 R N 0.664 121.102 120.500 -0.103 0.000 2.649 668 R HA 0.211 4.556 4.340 0.008 0.000 0.270 668 R C 1.195 177.405 176.300 -0.150 0.000 1.105 668 R CA -0.147 55.889 56.100 -0.106 0.000 1.193 668 R CB -0.304 29.985 30.300 -0.018 0.000 1.120 668 R HN 0.440 nan 8.270 nan 0.000 0.561 669 F N -0.226 119.708 119.950 -0.027 0.000 2.234 669 F HA -0.121 4.410 4.527 0.008 0.000 0.296 669 F C 2.566 178.326 175.800 -0.067 0.000 1.089 669 F CA 1.410 59.363 58.000 -0.079 0.000 1.343 669 F CB -0.540 38.388 39.000 -0.120 0.000 1.040 669 F HN 0.505 nan 8.300 nan 0.000 0.498 670 T N -1.093 113.544 114.554 0.138 0.000 2.929 670 T HA -0.207 4.148 4.350 0.008 0.000 0.271 670 T C 1.886 176.627 174.700 0.068 0.000 1.085 670 T CA 1.750 63.899 62.100 0.082 0.000 1.125 670 T CB -0.113 68.791 68.868 0.061 0.000 0.874 670 T HN 0.265 nan 8.240 nan 0.000 0.494 671 E N 0.185 120.416 120.200 0.053 0.000 2.102 671 E HA 0.157 4.512 4.350 0.008 0.000 0.190 671 E C 2.053 178.685 176.600 0.053 0.000 0.971 671 E CA 0.632 57.056 56.400 0.039 0.000 0.821 671 E CB -0.566 29.140 29.700 0.010 0.000 0.777 671 E HN 0.529 nan 8.360 nan 0.000 0.460 672 L N 0.908 122.165 121.223 0.057 0.000 2.131 672 L HA -0.135 4.210 4.340 0.008 0.000 0.210 672 L C 2.602 179.559 176.870 0.146 0.000 1.092 672 L CA 1.333 56.235 54.840 0.102 0.000 0.759 672 L CB -0.437 41.708 42.059 0.143 0.000 0.903 672 L HN 0.134 nan 8.230 nan 0.000 0.435 673 K N 0.505 120.979 120.400 0.124 0.000 1.965 673 K HA -0.237 4.088 4.320 0.008 0.000 0.214 673 K C 2.208 178.938 176.600 0.216 0.000 1.046 673 K CA 1.566 57.938 56.287 0.141 0.000 0.944 673 K CB -0.290 32.253 32.500 0.072 0.000 0.726 673 K HN 0.218 nan 8.250 nan 0.000 0.441 674 A N 1.674 124.584 122.820 0.149 0.000 1.915 674 A HA -0.301 4.024 4.320 0.008 0.000 0.220 674 A C 2.151 179.795 177.584 0.099 0.000 1.198 674 A CA 2.174 54.283 52.037 0.120 0.000 0.647 674 A CB -0.824 18.223 19.000 0.077 0.000 0.825 674 A HN 0.565 nan 8.150 nan 0.000 0.456 675 Q N -0.658 119.195 119.800 0.088 0.000 1.993 675 Q HA -0.133 4.212 4.340 0.008 0.000 0.202 675 Q C 2.292 178.334 176.000 0.070 0.000 0.984 675 Q CA 1.557 57.397 55.803 0.061 0.000 0.837 675 Q CB -0.460 28.305 28.738 0.046 0.000 0.902 675 Q HN 0.719 nan 8.270 nan 0.000 0.423 676 L N 0.695 121.998 121.223 0.133 0.000 2.079 676 L HA -0.203 4.142 4.340 0.008 0.000 0.210 676 L C 2.762 179.663 176.870 0.051 0.000 1.081 676 L CA 0.921 55.852 54.840 0.151 0.000 0.752 676 L CB -0.544 41.697 42.059 0.304 0.000 0.896 676 L HN 0.211 nan 8.230 nan 0.000 0.433 677 S N -0.367 115.371 115.700 0.062 0.000 2.369 677 S HA -0.283 4.192 4.470 0.008 0.000 0.225 677 S C 2.181 176.686 174.600 -0.157 0.000 1.043 677 S CA 2.541 60.621 58.200 -0.201 0.000 1.074 677 S CB -0.390 62.815 63.200 0.008 0.000 0.962 677 S HN 0.679 nan 8.310 nan 0.000 0.433 678 T N 0.436 114.957 114.554 -0.056 0.000 2.737 678 T HA 0.037 4.392 4.350 0.008 0.000 0.265 678 T C 1.870 176.539 174.700 -0.052 0.000 1.038 678 T CA 1.439 63.510 62.100 -0.048 0.000 1.144 678 T CB -0.879 67.978 68.868 -0.019 0.000 0.866 678 T HN 0.476 nan 8.240 nan 0.000 0.434 679 I N 0.897 121.446 120.570 -0.034 0.000 2.502 679 I HA -0.102 4.073 4.170 0.008 0.000 0.258 679 I C 2.388 178.473 176.117 -0.053 0.000 1.172 679 I CA 0.997 62.279 61.300 -0.031 0.000 1.430 679 I CB -0.487 37.507 38.000 -0.011 0.000 1.086 679 I HN 0.259 nan 8.210 nan 0.000 0.440 680 L N 0.586 121.754 121.223 -0.090 0.000 2.071 680 L HA -0.083 4.262 4.340 0.008 0.000 0.201 680 L C 2.483 179.286 176.870 -0.113 0.000 1.076 680 L CA 1.667 56.433 54.840 -0.123 0.000 0.755 680 L CB -0.579 41.350 42.059 -0.217 0.000 0.915 680 L HN -0.022 nan 8.230 nan 0.000 0.445 681 E N 0.169 120.294 120.200 -0.125 0.000 2.108 681 E HA -0.331 4.024 4.350 0.008 0.000 0.203 681 E C 2.086 178.648 176.600 -0.063 0.000 1.022 681 E CA 1.738 58.083 56.400 -0.093 0.000 0.823 681 E CB -0.370 29.280 29.700 -0.083 0.000 0.744 681 E HN 0.574 nan 8.360 nan 0.000 0.456 682 E N 0.824 120.992 120.200 -0.055 0.000 2.110 682 E HA -0.198 4.157 4.350 0.008 0.000 0.193 682 E C 1.890 178.466 176.600 -0.039 0.000 0.988 682 E CA 1.511 57.887 56.400 -0.040 0.000 0.804 682 E CB -0.107 29.574 29.700 -0.032 0.000 0.745 682 E HN 0.059 nan 8.360 nan 0.000 0.458 683 E N 0.546 120.718 120.200 -0.047 0.000 2.152 683 E HA -0.085 4.270 4.350 0.008 0.000 0.192 683 E C 1.686 178.258 176.600 -0.046 0.000 0.983 683 E CA 1.045 57.418 56.400 -0.046 0.000 0.818 683 E CB -0.039 29.630 29.700 -0.053 0.000 0.758 683 E HN 0.170 nan 8.360 nan 0.000 0.467 684 K N -0.072 120.296 120.400 -0.054 0.000 2.026 684 K HA -0.063 4.262 4.320 0.008 0.000 0.208 684 K C 1.993 178.572 176.600 -0.035 0.000 1.048 684 K CA 1.229 57.487 56.287 -0.048 0.000 0.929 684 K CB -0.212 32.254 32.500 -0.056 0.000 0.713 684 K HN 0.251 nan 8.250 nan 0.000 0.439 685 L N 1.561 122.764 121.223 -0.033 0.000 2.551 685 L HA -0.089 4.256 4.340 0.008 0.000 0.228 685 L C 0.761 177.619 176.870 -0.021 0.000 1.153 685 L CA 0.202 55.028 54.840 -0.025 0.000 0.851 685 L CB -0.866 41.179 42.059 -0.023 0.000 0.959 685 L HN 0.410 nan 8.230 nan 0.000 0.451 686 Q N 0.000 119.786 119.800 -0.023 0.000 2.315 686 Q HA 0.000 4.345 4.340 0.008 0.000 0.214 686 Q CA 0.000 55.791 55.803 -0.019 0.000 1.022 686 Q CB 0.000 28.729 28.738 -0.015 0.000 1.108 686 Q HN 0.000 nan 8.270 nan 0.000 0.481