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 3gcm_1_A DATA FIRST_RESID 2 DATA SEQUENCE LNPIVRKFQY GQHTVTLETG MMARQATAAV MVSMDDTAVF VTVVGQKKAK DATA SEQUENCE PGQDFFPLTV NYQERTYAAG RIPGSFFRRE GRPSEGETLI ARLIDRPIRP DATA SEQUENCE LFPEGFVNEV QVIATVVSVN PQVNPDIVAM IGASAALSLS GIPFNGPIGA DATA SEQUENCE ARVGYINDQY VLNPTQDELK ESKLDLVVAG TEAAVLMVES EAELLSEDQM DATA SEQUENCE LGAVVFGHEQ QQVVIQNINE LVKEAGKPRW DWQPEPVNEA LNARVAALAE DATA SEQUENCE ARLSDAYRIT DKQERYAQVD VIKSETIATL LAEDETLDEN ELGEILHAIE DATA SEQUENCE KNVVRSRVLA GEPRIDGREK DMIRGLDVRT GVLPRTHGSA LFTRGETQAL DATA SEQUENCE VTATLGTARD AQVLDELMGE RTDTFLFHYN FPPYSVGETG MVGSPKRREI DATA SEQUENCE GHGRLAKRGV LAVMPDMDKF PYTVRVVSEI TESNGSSSMA SVCGASLALM DATA SEQUENCE DAGVPIKAAV AGIAMGLVKE GDNYVVLSDI LGDEDHLGDM DFKVAGSRDG DATA SEQUENCE ISALQMDIKI EGITKEIMQV ALNQAKGARL HILGVMEQAI NAPR 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 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.878 176.870 0.013 0.000 1.165 2 L CA 0.000 54.847 54.840 0.012 0.000 0.813 2 L CB 0.000 42.064 42.059 0.008 0.000 0.961 3 N N 4.874 123.584 118.700 0.017 0.000 2.407 3 N HA 0.634 5.375 4.740 0.002 0.000 0.277 3 N C -2.704 172.821 175.510 0.025 0.000 0.995 3 N CA -1.289 51.773 53.050 0.019 0.000 0.903 3 N CB 1.923 40.421 38.487 0.017 0.000 1.218 3 N HN 0.281 nan 8.380 nan 0.000 0.487 4 P HA 0.336 nan 4.420 nan 0.000 0.280 4 P C -0.328 176.992 177.300 0.033 0.000 1.244 4 P CA -0.347 62.774 63.100 0.034 0.000 0.784 4 P CB 0.747 32.468 31.700 0.034 0.000 0.913 5 I N 3.158 123.751 120.570 0.037 0.000 2.312 5 I HA 0.178 4.349 4.170 0.002 0.000 0.291 5 I C -0.084 176.057 176.117 0.041 0.000 1.031 5 I CA -0.171 61.150 61.300 0.035 0.000 1.293 5 I CB 0.956 38.975 38.000 0.032 0.000 1.403 5 I HN 0.038 nan 8.210 nan 0.000 0.484 6 V N 6.950 126.889 119.914 0.041 0.000 2.555 6 V HA 0.594 4.715 4.120 0.002 0.000 0.302 6 V C -0.109 176.019 176.094 0.056 0.000 1.038 6 V CA -0.846 61.483 62.300 0.048 0.000 0.887 6 V CB 1.926 33.774 31.823 0.042 0.000 0.991 6 V HN 0.665 nan 8.190 nan 0.000 0.434 7 R N 3.256 123.802 120.500 0.077 0.000 2.532 7 R HA 0.579 4.920 4.340 0.002 0.000 0.297 7 R C -1.051 175.341 176.300 0.154 0.000 0.984 7 R CA -0.632 55.532 56.100 0.107 0.000 0.884 7 R CB 1.563 31.926 30.300 0.105 0.000 1.182 7 R HN 0.735 nan 8.270 nan 0.000 0.442 8 K N 4.247 124.737 120.400 0.150 0.000 2.259 8 K HA 0.515 4.836 4.320 0.002 0.000 0.252 8 K C -1.247 175.503 176.600 0.250 0.000 0.936 8 K CA -0.690 55.672 56.287 0.126 0.000 0.810 8 K CB 1.627 34.161 32.500 0.056 0.000 1.143 8 K HN 0.440 nan 8.250 nan 0.000 0.427 9 F N -1.572 118.395 119.950 0.029 0.000 2.678 9 F HA 0.318 4.846 4.527 0.001 0.000 0.308 9 F C -1.169 174.672 175.800 0.068 0.000 1.118 9 F CA -1.329 56.690 58.000 0.033 0.000 0.959 9 F CB 1.017 40.022 39.000 0.008 0.000 1.305 9 F HN 0.146 nan 8.300 nan 0.000 0.443 10 Q N 2.012 121.923 119.800 0.185 0.000 2.286 10 Q HA 0.190 4.531 4.340 0.002 0.000 0.257 10 Q C -1.665 174.512 176.000 0.295 0.000 0.941 10 Q CA -0.097 55.784 55.803 0.130 0.000 0.912 10 Q CB 1.565 30.371 28.738 0.115 0.000 1.192 10 Q HN 0.776 nan 8.270 nan 0.000 0.410 11 Y N 1.916 122.236 120.300 0.034 0.000 2.681 11 Y HA 0.407 4.959 4.550 0.003 0.000 0.347 11 Y C 0.620 176.565 175.900 0.074 0.000 1.029 11 Y CA 0.129 58.293 58.100 0.106 0.000 1.279 11 Y CB 0.204 38.724 38.460 0.100 0.000 1.096 11 Y HN 0.851 nan 8.280 nan 0.000 0.580 12 G N 3.710 112.514 108.800 0.006 0.000 2.559 12 G HA2 -0.286 3.675 3.960 0.002 0.000 0.282 12 G HA3 -0.286 3.675 3.960 0.002 0.000 0.282 12 G C 0.450 175.284 174.900 -0.110 0.000 1.177 12 G CA 0.495 45.531 45.100 -0.107 0.000 0.960 12 G HN 0.422 nan 8.290 nan 0.000 0.540 13 Q N 1.799 121.441 119.800 -0.263 0.000 2.198 13 Q HA 0.240 4.581 4.340 0.002 0.000 0.209 13 Q C 0.262 176.019 176.000 -0.406 0.000 0.848 13 Q CA 0.305 55.922 55.803 -0.309 0.000 0.974 13 Q CB 0.395 28.950 28.738 -0.305 0.000 1.115 13 Q HN 0.754 nan 8.270 nan 0.000 0.494 14 H N -0.409 118.641 119.070 -0.032 0.000 2.616 14 H HA 0.432 4.989 4.556 0.001 0.000 0.353 14 H C -0.276 175.026 175.328 -0.044 0.000 1.170 14 H CA -0.373 55.655 56.048 -0.032 0.000 1.212 14 H CB 1.439 31.180 29.762 -0.035 0.000 1.653 14 H HN -0.208 nan 8.280 nan 0.000 0.537 15 T N 2.158 116.756 114.554 0.073 0.000 2.749 15 T HA 0.300 4.651 4.350 0.002 0.000 0.287 15 T C 0.224 174.842 174.700 -0.136 0.000 0.970 15 T CA -0.632 61.440 62.100 -0.047 0.000 0.980 15 T CB 0.715 69.568 68.868 -0.025 0.000 0.924 15 T HN 0.170 nan 8.240 nan 0.000 0.456 16 V N 4.246 123.928 119.914 -0.386 0.000 2.394 16 V HA 0.459 4.580 4.120 0.002 0.000 0.282 16 V C 0.351 176.220 176.094 -0.375 0.000 1.031 16 V CA -0.639 61.374 62.300 -0.479 0.000 0.881 16 V CB 1.556 32.854 31.823 -0.876 0.000 0.982 16 V HN 0.955 nan 8.190 nan 0.000 0.451 17 T N 6.636 121.104 114.554 -0.143 0.000 2.792 17 T HA 0.659 5.010 4.350 0.002 0.000 0.280 17 T C -0.464 174.255 174.700 0.030 0.000 0.990 17 T CA -0.347 61.734 62.100 -0.031 0.000 0.960 17 T CB 0.989 69.853 68.868 -0.007 0.000 0.939 17 T HN 0.361 nan 8.240 nan 0.000 0.439 18 L N 3.044 124.317 121.223 0.083 0.000 2.305 18 L HA 0.596 4.937 4.340 0.002 0.000 0.284 18 L C 0.207 177.124 176.870 0.078 0.000 1.013 18 L CA -0.638 54.258 54.840 0.093 0.000 0.819 18 L CB 1.544 43.678 42.059 0.125 0.000 1.227 18 L HN 0.600 nan 8.230 nan 0.000 0.417 19 E N 2.275 122.522 120.200 0.079 0.000 2.234 19 E HA 0.564 4.915 4.350 0.002 0.000 0.266 19 E C -1.447 175.207 176.600 0.090 0.000 0.877 19 E CA -0.322 56.125 56.400 0.079 0.000 0.758 19 E CB 2.437 32.186 29.700 0.081 0.000 1.170 19 E HN 0.516 nan 8.360 nan 0.000 0.415 20 T N 1.679 116.277 114.554 0.074 0.000 2.894 20 T HA 0.622 4.973 4.350 0.002 0.000 0.309 20 T C 0.307 175.046 174.700 0.065 0.000 1.208 20 T CA 0.587 62.730 62.100 0.072 0.000 1.016 20 T CB 1.380 70.275 68.868 0.044 0.000 1.192 20 T HN 0.738 nan 8.240 nan 0.000 0.491 21 G N 2.445 111.287 108.800 0.070 0.000 2.278 21 G HA2 -0.195 3.766 3.960 0.002 0.000 0.210 21 G HA3 -0.195 3.766 3.960 0.002 0.000 0.210 21 G C 0.816 175.752 174.900 0.059 0.000 1.000 21 G CA 0.707 45.841 45.100 0.057 0.000 0.635 21 G HN 0.735 nan 8.290 nan 0.000 0.495 22 M N -0.031 119.611 119.600 0.069 0.000 2.657 22 M HA 0.574 5.055 4.480 0.002 0.000 0.262 22 M C 0.898 177.235 176.300 0.062 0.000 1.213 22 M CA 0.559 55.890 55.300 0.053 0.000 1.182 22 M CB 0.315 32.937 32.600 0.037 0.000 1.303 22 M HN 0.226 nan 8.290 nan 0.000 0.501 23 M N 0.754 120.419 119.600 0.108 0.000 2.363 23 M HA 0.396 4.877 4.480 0.002 0.000 0.343 23 M C 0.457 176.913 176.300 0.260 0.000 1.165 23 M CA -0.262 55.116 55.300 0.129 0.000 1.046 23 M CB 1.531 34.152 32.600 0.035 0.000 1.648 23 M HN 0.328 nan 8.290 nan 0.000 0.452 24 A N 2.164 125.115 122.820 0.219 0.000 2.466 24 A HA -0.213 4.108 4.320 0.002 0.000 0.295 24 A C 0.902 178.567 177.584 0.135 0.000 1.465 24 A CA 0.850 53.017 52.037 0.215 0.000 0.744 24 A CB -1.360 17.855 19.000 0.359 0.000 1.098 24 A HN 1.007 nan 8.150 nan 0.000 0.402 25 R N -0.736 119.822 120.500 0.095 0.000 2.280 25 R HA -0.070 4.271 4.340 0.002 0.000 0.207 25 R C 1.959 178.295 176.300 0.060 0.000 1.043 25 R CA 1.453 57.595 56.100 0.070 0.000 1.006 25 R CB -0.018 30.316 30.300 0.055 0.000 0.885 25 R HN 0.865 nan 8.270 nan 0.000 0.467 26 Q N -0.098 119.738 119.800 0.061 0.000 2.398 26 Q HA 0.170 4.511 4.340 0.002 0.000 0.204 26 Q C 0.273 176.306 176.000 0.055 0.000 0.932 26 Q CA -0.010 55.825 55.803 0.053 0.000 0.916 26 Q CB 0.622 29.388 28.738 0.046 0.000 1.024 26 Q HN 0.220 nan 8.270 nan 0.000 0.504 27 A N 0.381 123.235 122.820 0.057 0.000 2.406 27 A HA 0.095 4.416 4.320 0.002 0.000 0.243 27 A C 1.140 178.755 177.584 0.053 0.000 1.082 27 A CA -0.087 51.977 52.037 0.045 0.000 0.786 27 A CB 0.402 19.414 19.000 0.019 0.000 1.029 27 A HN 0.181 nan 8.150 nan 0.000 0.495 28 T N 0.687 115.280 114.554 0.065 0.000 2.720 28 T HA 0.197 4.548 4.350 0.002 0.000 0.268 28 T C 0.790 175.520 174.700 0.051 0.000 1.037 28 T CA 1.854 64.012 62.100 0.097 0.000 1.144 28 T CB -0.276 68.676 68.868 0.139 0.000 0.864 28 T HN 1.437 nan 8.240 nan 0.000 0.444 29 A N -0.338 122.482 122.820 0.000 0.000 2.589 29 A HA 0.792 5.113 4.320 0.002 0.000 0.296 29 A C -1.594 175.942 177.584 -0.080 0.000 1.062 29 A CA -0.428 51.592 52.037 -0.029 0.000 0.686 29 A CB 1.315 20.285 19.000 -0.049 0.000 1.282 29 A HN 0.501 nan 8.150 nan 0.000 0.404 30 A N 0.694 123.463 122.820 -0.085 0.000 2.427 30 A HA 0.734 5.055 4.320 0.002 0.000 0.298 30 A C -1.313 176.182 177.584 -0.148 0.000 1.036 30 A CA -0.456 51.459 52.037 -0.204 0.000 0.701 30 A CB 1.451 20.360 19.000 -0.151 0.000 1.250 30 A HN 1.699 nan 8.150 nan 0.000 0.412 31 V N 2.263 122.027 119.914 -0.250 0.000 2.638 31 V HA 0.549 4.670 4.120 0.002 0.000 0.306 31 V C -0.378 175.713 176.094 -0.005 0.000 1.052 31 V CA -0.413 61.844 62.300 -0.072 0.000 0.885 31 V CB 1.756 33.550 31.823 -0.049 0.000 0.999 31 V HN 0.991 nan 8.190 nan 0.000 0.424 32 M N 6.173 125.890 119.600 0.195 0.000 2.069 32 M HA 0.553 5.033 4.480 0.002 0.000 0.349 32 M C -1.075 175.308 176.300 0.139 0.000 1.194 32 M CA 0.144 55.612 55.300 0.279 0.000 1.081 32 M CB 0.784 33.556 32.600 0.286 0.000 1.500 32 M HN 0.448 nan 8.290 nan 0.000 0.438 33 V N 4.191 124.172 119.914 0.111 0.000 2.435 33 V HA 0.702 4.823 4.120 0.002 0.000 0.290 33 V C -0.275 175.854 176.094 0.058 0.000 1.030 33 V CA -0.538 61.805 62.300 0.071 0.000 0.881 33 V CB 1.695 33.553 31.823 0.057 0.000 0.983 33 V HN 0.898 nan 8.190 nan 0.000 0.445 34 S N 4.942 120.659 115.700 0.028 0.000 2.536 34 S HA 0.710 5.181 4.470 0.002 0.000 0.287 34 S C -0.625 173.958 174.600 -0.028 0.000 1.101 34 S CA -0.598 57.607 58.200 0.009 0.000 0.950 34 S CB 1.798 65.006 63.200 0.013 0.000 1.056 34 S HN 0.773 nan 8.310 nan 0.000 0.481 35 M N 2.973 122.550 119.600 -0.038 0.000 2.073 35 M HA 0.246 4.727 4.480 0.002 0.000 0.261 35 M C -1.560 174.684 176.300 -0.094 0.000 0.928 35 M CA -0.123 55.131 55.300 -0.077 0.000 1.006 35 M CB 0.345 32.885 32.600 -0.100 0.000 1.893 35 M HN 0.645 nan 8.290 nan 0.000 0.440 36 D N 3.564 123.942 120.400 -0.035 0.000 2.904 36 D HA -0.184 4.457 4.640 0.002 0.000 0.231 36 D C 0.063 176.356 176.300 -0.011 0.000 1.185 36 D CA 1.928 55.928 54.000 0.000 0.000 0.783 36 D CB -0.606 40.228 40.800 0.056 0.000 0.961 36 D HN 0.919 nan 8.370 nan 0.000 0.409 37 D N -2.549 117.849 120.400 -0.003 0.000 2.495 37 D HA -0.168 4.473 4.640 0.002 0.000 0.175 37 D C -0.029 176.275 176.300 0.005 0.000 1.040 37 D CA 1.861 55.864 54.000 0.005 0.000 1.049 37 D CB -1.148 39.659 40.800 0.011 0.000 1.105 37 D HN 0.461 nan 8.370 nan 0.000 0.457 38 T N 0.805 115.353 114.554 -0.010 0.000 2.727 38 T HA 0.624 4.975 4.350 0.002 0.000 0.295 38 T C 0.180 174.889 174.700 0.015 0.000 0.915 38 T CA 0.412 62.511 62.100 -0.001 0.000 1.066 38 T CB 1.263 70.119 68.868 -0.019 0.000 0.891 38 T HN 0.337 nan 8.240 nan 0.000 0.516 39 A N 3.546 126.388 122.820 0.036 0.000 2.343 39 A HA 0.773 5.094 4.320 0.002 0.000 0.316 39 A C -0.736 176.895 177.584 0.079 0.000 1.104 39 A CA -0.678 51.393 52.037 0.057 0.000 0.768 39 A CB 1.275 20.311 19.000 0.060 0.000 1.213 39 A HN 0.638 nan 8.150 nan 0.000 0.456 40 V N 2.360 122.335 119.914 0.101 0.000 2.525 40 V HA 0.370 4.491 4.120 0.002 0.000 0.299 40 V C -1.116 175.082 176.094 0.172 0.000 1.034 40 V CA -0.354 62.018 62.300 0.120 0.000 0.863 40 V CB 1.447 33.338 31.823 0.113 0.000 0.999 40 V HN 0.816 nan 8.190 nan 0.000 0.423 41 F N 5.944 125.905 119.950 0.018 0.000 2.390 41 F HA 0.638 5.165 4.527 0.001 0.000 0.361 41 F C -0.135 175.674 175.800 0.016 0.000 1.124 41 F CA -0.461 57.551 58.000 0.019 0.000 1.149 41 F CB 1.039 40.051 39.000 0.021 0.000 1.160 41 F HN 0.274 nan 8.300 nan 0.000 0.501 42 V N 5.295 124.960 119.914 -0.414 0.000 2.417 42 V HA 0.483 4.604 4.120 0.002 0.000 0.291 42 V C -0.073 175.728 176.094 -0.489 0.000 1.024 42 V CA -0.585 61.517 62.300 -0.330 0.000 0.861 42 V CB 1.629 33.362 31.823 -0.150 0.000 0.985 42 V HN 0.827 nan 8.190 nan 0.000 0.436 43 T N 1.809 116.144 114.554 -0.364 0.000 2.912 43 T HA 0.860 5.211 4.350 0.002 0.000 0.288 43 T C -0.821 173.788 174.700 -0.152 0.000 1.030 43 T CA -0.778 61.153 62.100 -0.281 0.000 1.020 43 T CB 2.006 70.743 68.868 -0.218 0.000 1.056 43 T HN 0.330 nan 8.240 nan 0.000 0.480 44 V N 1.672 121.517 119.914 -0.114 0.000 2.638 44 V HA 0.650 4.771 4.120 0.002 0.000 0.306 44 V C -0.760 175.318 176.094 -0.027 0.000 1.052 44 V CA -0.827 61.428 62.300 -0.075 0.000 0.885 44 V CB 2.029 33.790 31.823 -0.104 0.000 0.999 44 V HN 0.932 nan 8.190 nan 0.000 0.424 45 V N 2.913 122.826 119.914 -0.000 0.000 2.483 45 V HA 0.802 4.922 4.120 0.002 0.000 0.297 45 V C 0.454 176.594 176.094 0.077 0.000 1.027 45 V CA -0.329 62.000 62.300 0.049 0.000 0.855 45 V CB 1.889 33.738 31.823 0.044 0.000 0.995 45 V HN 1.001 nan 8.190 nan 0.000 0.424 46 G N 3.199 112.097 108.800 0.163 0.000 2.478 46 G HA2 0.552 4.512 3.960 0.002 0.000 0.317 46 G HA3 0.552 4.512 3.960 0.002 0.000 0.317 46 G C -0.688 174.478 174.900 0.443 0.000 1.259 46 G CA -0.489 44.762 45.100 0.252 0.000 0.933 46 G HN 0.625 nan 8.290 nan 0.000 0.478 47 Q N 1.439 121.417 119.800 0.297 0.000 2.313 47 Q HA 0.099 4.440 4.340 0.002 0.000 0.266 47 Q C 0.848 176.994 176.000 0.244 0.000 0.989 47 Q CA -0.466 55.461 55.803 0.206 0.000 0.890 47 Q CB 1.554 30.343 28.738 0.084 0.000 1.200 47 Q HN 0.411 nan 8.270 nan 0.000 0.396 48 K N 1.909 122.335 120.400 0.043 0.000 2.097 48 K HA -0.069 4.252 4.320 0.002 0.000 0.206 48 K C 0.062 176.630 176.600 -0.054 0.000 1.049 48 K CA 1.420 57.599 56.287 -0.180 0.000 0.933 48 K CB 0.108 32.472 32.500 -0.227 0.000 0.717 48 K HN 0.442 nan 8.250 nan 0.000 0.442 49 K N 0.378 120.774 120.400 -0.007 0.000 2.164 49 K HA 0.423 4.744 4.320 0.002 0.000 0.258 49 K C -0.711 175.891 176.600 0.002 0.000 0.951 49 K CA -0.471 55.819 56.287 0.005 0.000 0.844 49 K CB 2.039 34.532 32.500 -0.012 0.000 1.099 49 K HN -0.035 nan 8.250 nan 0.000 0.435 50 A N 1.691 124.509 122.820 -0.004 0.000 2.340 50 A HA 0.182 4.503 4.320 0.002 0.000 0.268 50 A C -0.210 177.346 177.584 -0.047 0.000 1.100 50 A CA -0.575 51.431 52.037 -0.051 0.000 0.803 50 A CB 0.364 19.329 19.000 -0.058 0.000 1.043 50 A HN 0.469 nan 8.150 nan 0.000 0.488 51 K N 2.936 123.293 120.400 -0.072 0.000 2.451 51 K HA 0.131 4.452 4.320 0.002 0.000 0.280 51 K C -1.849 174.723 176.600 -0.046 0.000 1.020 51 K CA -0.386 55.865 56.287 -0.060 0.000 1.008 51 K CB 0.348 32.799 32.500 -0.081 0.000 0.917 51 K HN 0.668 nan 8.250 nan 0.000 0.478 52 P HA -0.170 nan 4.420 nan 0.000 0.217 52 P C 0.962 178.253 177.300 -0.015 0.000 1.151 52 P CA 1.477 64.567 63.100 -0.017 0.000 0.849 52 P CB 0.161 31.854 31.700 -0.012 0.000 0.787 53 G N -1.763 107.026 108.800 -0.018 0.000 3.605 53 G HA2 0.074 4.035 3.960 0.002 0.000 0.277 53 G HA3 0.074 4.035 3.960 0.002 0.000 0.277 53 G C 0.189 175.080 174.900 -0.016 0.000 1.093 53 G CA -0.030 45.065 45.100 -0.009 0.000 0.821 53 G HN 0.175 nan 8.290 nan 0.000 0.532 54 Q N 1.527 121.298 119.800 -0.048 0.000 2.332 54 Q HA 0.269 4.610 4.340 0.002 0.000 0.263 54 Q C 0.664 176.633 176.000 -0.052 0.000 0.979 54 Q CA 0.254 55.998 55.803 -0.098 0.000 0.885 54 Q CB 1.085 29.716 28.738 -0.178 0.000 1.218 54 Q HN 0.397 nan 8.270 nan 0.000 0.405 55 D N 2.592 122.982 120.400 -0.016 0.000 2.525 55 D HA 0.080 4.721 4.640 0.002 0.000 0.231 55 D C -0.363 176.023 176.300 0.143 0.000 1.216 55 D CA -0.112 53.926 54.000 0.063 0.000 0.813 55 D CB -0.015 40.839 40.800 0.090 0.000 1.108 55 D HN 0.349 nan 8.370 nan 0.000 0.524 56 F N -0.177 119.774 119.950 0.001 0.000 2.565 56 F HA 0.628 5.156 4.527 0.002 0.000 0.313 56 F C -1.137 174.698 175.800 0.058 0.000 1.091 56 F CA -2.042 55.968 58.000 0.018 0.000 0.915 56 F CB 1.250 40.240 39.000 -0.017 0.000 1.208 56 F HN -0.264 nan 8.300 nan 0.000 0.453 57 F N 5.921 125.853 119.950 -0.031 0.000 2.502 57 F HA 0.485 5.013 4.527 0.001 0.000 0.371 57 F C -2.505 173.217 175.800 -0.129 0.000 1.083 57 F CA -3.431 54.474 58.000 -0.160 0.000 1.174 57 F CB 0.393 39.352 39.000 -0.067 0.000 1.096 57 F HN 0.288 nan 8.300 nan 0.000 0.545 58 P HA 0.246 nan 4.420 nan 0.000 0.258 58 P C -1.195 175.723 177.300 -0.636 0.000 1.647 58 P CA -0.310 62.529 63.100 -0.435 0.000 1.099 58 P CB 1.013 32.479 31.700 -0.391 0.000 1.604 59 L N 3.561 124.304 121.223 -0.800 0.000 2.313 59 L HA 0.643 4.984 4.340 0.002 0.000 0.283 59 L C -0.595 176.078 176.870 -0.330 0.000 1.013 59 L CA 0.188 54.597 54.840 -0.718 0.000 0.816 59 L CB 1.686 43.142 42.059 -1.006 0.000 1.236 59 L HN 0.142 nan 8.230 nan 0.000 0.419 60 T N 4.332 118.756 114.554 -0.217 0.000 2.879 60 T HA 0.590 4.941 4.350 0.002 0.000 0.290 60 T C -0.952 173.701 174.700 -0.078 0.000 0.993 60 T CA -0.462 61.567 62.100 -0.119 0.000 0.975 60 T CB 1.630 70.445 68.868 -0.087 0.000 0.981 60 T HN 0.309 nan 8.240 nan 0.000 0.439 61 V N 3.946 123.832 119.914 -0.047 0.000 2.357 61 V HA 0.428 4.548 4.120 0.002 0.000 0.284 61 V C -0.422 175.681 176.094 0.013 0.000 1.018 61 V CA -0.980 61.312 62.300 -0.013 0.000 0.841 61 V CB 1.206 33.028 31.823 -0.001 0.000 0.991 61 V HN 0.843 nan 8.190 nan 0.000 0.437 62 N N 3.845 122.559 118.700 0.025 0.000 2.469 62 N HA 0.432 5.173 4.740 0.002 0.000 0.253 62 N C -1.228 174.334 175.510 0.086 0.000 0.970 62 N CA -0.489 52.586 53.050 0.042 0.000 0.940 62 N CB 1.330 39.824 38.487 0.010 0.000 1.128 62 N HN 0.742 nan 8.380 nan 0.000 0.503 63 Y N 2.765 123.054 120.300 -0.019 0.000 2.331 63 Y HA 0.298 4.849 4.550 0.002 0.000 0.338 63 Y C -0.832 175.060 175.900 -0.013 0.000 0.992 63 Y CA -0.637 57.454 58.100 -0.015 0.000 1.121 63 Y CB 0.781 39.232 38.460 -0.015 0.000 1.184 63 Y HN 0.446 nan 8.280 nan 0.000 0.469 64 Q N 4.222 123.684 119.800 -0.563 0.000 2.305 64 Q HA 0.476 4.817 4.340 0.002 0.000 0.271 64 Q C -1.703 173.971 176.000 -0.543 0.000 1.046 64 Q CA -1.025 54.524 55.803 -0.423 0.000 0.798 64 Q CB 2.578 31.201 28.738 -0.192 0.000 1.286 64 Q HN 0.673 nan 8.270 nan 0.000 0.435 65 E N 2.295 122.258 120.200 -0.396 0.000 2.113 65 E HA 0.328 4.679 4.350 0.002 0.000 0.273 65 E C -0.738 175.705 176.600 -0.263 0.000 0.924 65 E CA -0.895 55.318 56.400 -0.313 0.000 0.764 65 E CB 1.306 30.895 29.700 -0.186 0.000 1.104 65 E HN 0.239 nan 8.360 nan 0.000 0.406 66 R N 1.490 121.771 120.500 -0.365 0.000 2.357 66 R HA 0.086 4.427 4.340 0.002 0.000 0.296 66 R C 1.204 177.221 176.300 -0.472 0.000 1.052 66 R CA -0.046 55.732 56.100 -0.535 0.000 0.988 66 R CB 0.887 30.518 30.300 -1.114 0.000 1.025 66 R HN 0.685 nan 8.270 nan 0.000 0.469 67 T N -1.013 113.362 114.554 -0.300 0.000 3.035 67 T HA -0.136 4.215 4.350 0.002 0.000 0.268 67 T C 1.698 176.349 174.700 -0.081 0.000 1.109 67 T CA 0.946 62.961 62.100 -0.141 0.000 1.119 67 T CB -0.359 68.479 68.868 -0.050 0.000 0.900 67 T HN 0.743 nan 8.240 nan 0.000 0.503 68 Y N 0.740 121.034 120.300 -0.010 0.000 2.574 68 Y HA 0.490 5.041 4.550 0.002 0.000 0.294 68 Y C 2.474 178.367 175.900 -0.011 0.000 1.142 68 Y CA -0.171 57.922 58.100 -0.011 0.000 1.314 68 Y CB -0.728 37.722 38.460 -0.015 0.000 0.991 68 Y HN 0.247 nan 8.280 nan 0.000 0.555 69 A N 1.314 124.111 122.820 -0.039 0.000 2.015 69 A HA 0.126 4.447 4.320 0.002 0.000 0.219 69 A C 2.120 179.724 177.584 0.034 0.000 1.163 69 A CA 1.337 53.384 52.037 0.016 0.000 0.646 69 A CB -0.834 18.107 19.000 -0.099 0.000 0.806 69 A HN 0.650 nan 8.150 nan 0.000 0.448 70 A N -1.893 120.938 122.820 0.017 0.000 2.503 70 A HA 0.477 4.798 4.320 0.002 0.000 0.263 70 A C 1.407 179.012 177.584 0.035 0.000 1.258 70 A CA 0.831 52.881 52.037 0.022 0.000 0.936 70 A CB -0.762 18.241 19.000 0.007 0.000 1.070 70 A HN 1.807 nan 8.150 nan 0.000 0.522 71 G N 0.135 108.970 108.800 0.059 0.000 2.246 71 G HA2 -0.246 3.715 3.960 0.002 0.000 0.273 71 G HA3 -0.246 3.715 3.960 0.002 0.000 0.273 71 G C 0.079 175.006 174.900 0.046 0.000 1.055 71 G CA 0.517 45.651 45.100 0.057 0.000 0.851 71 G HN 0.645 nan 8.290 nan 0.000 0.500 72 R N -1.299 119.230 120.500 0.048 0.000 2.807 72 R HA 0.721 5.062 4.340 0.002 0.000 0.276 72 R C -0.090 176.235 176.300 0.042 0.000 0.979 72 R CA -1.038 55.083 56.100 0.034 0.000 0.928 72 R CB 1.591 31.902 30.300 0.019 0.000 1.191 72 R HN 0.198 nan 8.270 nan 0.000 0.471 73 I N 2.693 123.282 120.570 0.032 0.000 2.359 73 I HA 0.297 4.468 4.170 0.002 0.000 0.294 73 I C -2.041 174.090 176.117 0.022 0.000 0.987 73 I CA -2.414 58.906 61.300 0.033 0.000 1.225 73 I CB 1.796 39.810 38.000 0.024 0.000 1.366 73 I HN 0.231 nan 8.210 nan 0.000 0.466 74 P HA 0.004 nan 4.420 nan 0.000 0.264 74 P C 0.839 178.152 177.300 0.021 0.000 1.183 74 P CA 0.123 63.237 63.100 0.022 0.000 0.763 74 P CB 0.628 32.347 31.700 0.033 0.000 0.807 75 G N 1.693 110.506 108.800 0.022 0.000 2.744 75 G HA2 -0.050 3.911 3.960 0.002 0.000 0.211 75 G HA3 -0.050 3.911 3.960 0.002 0.000 0.211 75 G C 0.508 175.424 174.900 0.027 0.000 1.143 75 G CA 0.120 45.232 45.100 0.020 0.000 0.788 75 G HN 0.627 nan 8.290 nan 0.000 0.534 76 S N -0.657 115.066 115.700 0.038 0.000 2.589 76 S HA 0.238 4.709 4.470 0.002 0.000 0.265 76 S C 1.036 175.653 174.600 0.028 0.000 1.342 76 S CA -0.552 57.680 58.200 0.053 0.000 1.005 76 S CB 0.744 63.999 63.200 0.091 0.000 0.909 76 S HN 0.147 nan 8.310 nan 0.000 0.555 77 F N 0.849 120.676 119.950 -0.205 0.000 2.202 77 F HA 0.004 4.532 4.527 0.001 0.000 0.301 77 F C 1.144 176.719 175.800 -0.375 0.000 1.082 77 F CA 1.076 58.858 58.000 -0.364 0.000 1.313 77 F CB -0.355 38.290 39.000 -0.591 0.000 1.024 77 F HN 0.569 nan 8.300 nan 0.000 0.495 78 F N 0.252 120.194 119.950 -0.012 0.000 2.765 78 F HA 0.251 4.779 4.527 0.002 0.000 0.302 78 F C 0.871 176.622 175.800 -0.082 0.000 1.111 78 F CA -0.107 57.836 58.000 -0.094 0.000 1.359 78 F CB -0.325 38.685 39.000 0.017 0.000 1.097 78 F HN -0.236 nan 8.300 nan 0.000 0.577 79 R N 0.753 121.288 120.500 0.059 0.000 3.641 79 R HA -0.231 4.110 4.340 0.002 0.000 0.286 79 R C -0.031 176.308 176.300 0.066 0.000 1.153 79 R CA 0.432 56.553 56.100 0.036 0.000 0.775 79 R CB -2.146 28.150 30.300 -0.007 0.000 1.215 79 R HN 0.425 nan 8.270 nan 0.000 0.474 80 R N 0.538 121.101 120.500 0.104 0.000 2.698 80 R HA 0.264 4.605 4.340 0.002 0.000 0.275 80 R C -0.807 175.538 176.300 0.076 0.000 1.001 80 R CA -0.761 55.389 56.100 0.082 0.000 0.896 80 R CB 1.513 31.859 30.300 0.078 0.000 1.218 80 R HN -0.041 nan 8.270 nan 0.000 0.462 81 E N 0.580 120.804 120.200 0.040 0.000 2.415 81 E HA 0.205 4.555 4.350 0.002 0.000 0.263 81 E C 0.218 176.836 176.600 0.031 0.000 0.995 81 E CA 0.571 56.983 56.400 0.021 0.000 0.915 81 E CB 1.214 30.901 29.700 -0.021 0.000 0.951 81 E HN 0.705 nan 8.360 nan 0.000 0.449 82 G N 1.420 110.243 108.800 0.039 0.000 3.247 82 G HA2 0.566 4.527 3.960 0.002 0.000 0.163 82 G HA3 0.566 4.527 3.960 0.002 0.000 0.163 82 G C -0.327 174.587 174.900 0.024 0.000 1.206 82 G CA -0.332 44.793 45.100 0.041 0.000 0.918 82 G HN 0.650 nan 8.290 nan 0.000 0.625 83 R N 1.126 121.645 120.500 0.030 0.000 2.623 83 R HA 0.481 4.822 4.340 0.002 0.000 0.271 83 R C -1.781 174.533 176.300 0.023 0.000 1.043 83 R CA -0.784 55.330 56.100 0.022 0.000 1.083 83 R CB -1.366 28.949 30.300 0.025 0.000 0.974 83 R HN 0.590 nan 8.270 nan 0.000 0.436 84 P HA 0.053 nan 4.420 nan 0.000 0.266 84 P C -0.154 177.167 177.300 0.035 0.000 1.195 84 P CA 0.041 63.158 63.100 0.029 0.000 0.768 84 P CB 0.793 32.516 31.700 0.039 0.000 0.838 85 S N 1.278 117.004 115.700 0.042 0.000 2.617 85 S HA 0.087 4.558 4.470 0.002 0.000 0.259 85 S C 1.195 175.822 174.600 0.045 0.000 1.301 85 S CA -0.519 57.707 58.200 0.043 0.000 0.984 85 S CB 0.661 63.888 63.200 0.046 0.000 0.954 85 S HN 0.485 nan 8.310 nan 0.000 0.572 86 E N 0.762 120.986 120.200 0.041 0.000 2.153 86 E HA -0.101 4.250 4.350 0.002 0.000 0.194 86 E C 2.104 178.724 176.600 0.033 0.000 0.988 86 E CA 1.103 57.525 56.400 0.036 0.000 0.811 86 E CB -0.742 28.985 29.700 0.045 0.000 0.746 86 E HN 0.880 nan 8.360 nan 0.000 0.466 87 G N 1.170 109.996 108.800 0.044 0.000 2.402 87 G HA2 -0.261 3.700 3.960 0.002 0.000 0.216 87 G HA3 -0.261 3.700 3.960 0.002 0.000 0.216 87 G C 1.324 176.262 174.900 0.064 0.000 1.162 87 G CA 0.463 45.589 45.100 0.044 0.000 0.777 87 G HN 0.217 nan 8.290 nan 0.000 0.539 88 E N -0.170 120.105 120.200 0.125 0.000 2.150 88 E HA -0.059 4.291 4.350 0.002 0.000 0.193 88 E C 2.723 179.419 176.600 0.160 0.000 0.985 88 E CA 1.224 57.776 56.400 0.254 0.000 0.814 88 E CB -0.056 29.775 29.700 0.219 0.000 0.752 88 E HN 0.318 nan 8.360 nan 0.000 0.466 89 T N 1.307 115.904 114.554 0.072 0.000 2.777 89 T HA -0.087 4.264 4.350 0.002 0.000 0.266 89 T C 1.908 176.597 174.700 -0.018 0.000 1.040 89 T CA 0.702 62.818 62.100 0.026 0.000 1.141 89 T CB -0.099 68.775 68.868 0.010 0.000 0.868 89 T HN 0.080 nan 8.240 nan 0.000 0.444 90 L N 0.182 121.386 121.223 -0.031 0.000 2.093 90 L HA 0.014 4.355 4.340 0.002 0.000 0.208 90 L C 2.332 179.133 176.870 -0.114 0.000 1.085 90 L CA 1.133 55.934 54.840 -0.065 0.000 0.755 90 L CB -0.462 41.565 42.059 -0.053 0.000 0.904 90 L HN 0.268 nan 8.230 nan 0.000 0.435 91 I N -0.469 119.989 120.570 -0.186 0.000 2.439 91 I HA -0.198 3.973 4.170 0.002 0.000 0.251 91 I C 2.724 178.649 176.117 -0.320 0.000 1.139 91 I CA 0.862 61.936 61.300 -0.376 0.000 1.438 91 I CB -0.411 37.089 38.000 -0.834 0.000 1.085 91 I HN 0.158 nan 8.210 nan 0.000 0.427 92 A N 0.942 123.662 122.820 -0.166 0.000 1.972 92 A HA -0.191 4.130 4.320 0.002 0.000 0.219 92 A C 2.387 179.941 177.584 -0.051 0.000 1.169 92 A CA 1.474 53.486 52.037 -0.040 0.000 0.635 92 A CB -0.494 18.531 19.000 0.042 0.000 0.810 92 A HN 0.323 nan 8.150 nan 0.000 0.446 93 R N -0.870 119.591 120.500 -0.065 0.000 2.119 93 R HA 0.133 4.474 4.340 0.002 0.000 0.222 93 R C 1.861 178.129 176.300 -0.053 0.000 1.088 93 R CA 0.841 56.908 56.100 -0.056 0.000 0.984 93 R CB -0.338 29.923 30.300 -0.066 0.000 0.884 93 R HN 0.486 nan 8.270 nan 0.000 0.447 94 L N 0.325 121.500 121.223 -0.079 0.000 2.201 94 L HA -0.146 4.195 4.340 0.002 0.000 0.212 94 L C 1.987 178.830 176.870 -0.045 0.000 1.105 94 L CA 1.143 55.941 54.840 -0.069 0.000 0.775 94 L CB -0.132 41.866 42.059 -0.102 0.000 0.913 94 L HN 0.202 nan 8.230 nan 0.000 0.440 95 I N -1.156 119.385 120.570 -0.049 0.000 2.494 95 I HA -0.200 3.971 4.170 0.002 0.000 0.250 95 I C 2.283 178.414 176.117 0.023 0.000 1.112 95 I CA 0.837 62.129 61.300 -0.013 0.000 1.438 95 I CB -0.272 37.719 38.000 -0.016 0.000 1.111 95 I HN 0.238 nan 8.210 nan 0.000 0.431 96 D N 1.460 121.869 120.400 0.015 0.000 2.117 96 D HA -0.165 4.476 4.640 0.002 0.000 0.198 96 D C 2.278 178.619 176.300 0.068 0.000 0.982 96 D CA 1.292 55.315 54.000 0.039 0.000 0.828 96 D CB 0.178 40.980 40.800 0.003 0.000 0.967 96 D HN 0.214 nan 8.370 nan 0.000 0.464 97 R N 0.293 120.817 120.500 0.040 0.000 2.083 97 R HA -0.088 4.253 4.340 0.002 0.000 0.237 97 R C -0.495 175.846 176.300 0.069 0.000 1.137 97 R CA 1.827 57.955 56.100 0.046 0.000 0.951 97 R CB -0.945 29.364 30.300 0.016 0.000 0.851 97 R HN 0.376 nan 8.270 nan 0.000 0.434 98 P HA -0.085 nan 4.420 nan 0.000 0.224 98 P C 1.269 178.643 177.300 0.123 0.000 1.157 98 P CA 1.180 64.323 63.100 0.073 0.000 0.799 98 P CB -0.061 31.672 31.700 0.056 0.000 0.809 99 I N -2.907 117.778 120.570 0.191 0.000 2.852 99 I HA 0.113 4.284 4.170 0.002 0.000 0.264 99 I C 2.693 179.090 176.117 0.467 0.000 1.179 99 I CA 0.444 61.949 61.300 0.341 0.000 1.480 99 I CB -0.590 37.607 38.000 0.329 0.000 1.111 99 I HN -0.277 nan 8.210 nan 0.000 0.441 100 R N 1.989 122.723 120.500 0.390 0.000 2.083 100 R HA -0.079 4.262 4.340 0.002 0.000 0.237 100 R C -0.582 175.979 176.300 0.435 0.000 1.137 100 R CA 2.025 58.402 56.100 0.461 0.000 0.951 100 R CB -1.172 29.281 30.300 0.256 0.000 0.851 100 R HN 0.360 nan 8.270 nan 0.000 0.434 101 P HA -0.002 nan 4.420 nan 0.000 0.245 101 P C 0.542 177.886 177.300 0.074 0.000 1.212 101 P CA 0.800 63.993 63.100 0.155 0.000 0.774 101 P CB 0.138 31.891 31.700 0.088 0.000 0.999 102 L N -2.418 118.823 121.223 0.030 0.000 2.529 102 L HA 0.158 4.499 4.340 0.002 0.000 0.223 102 L C 0.518 177.180 176.870 -0.348 0.000 1.113 102 L CA -0.090 54.592 54.840 -0.264 0.000 0.861 102 L CB -0.309 41.392 42.059 -0.596 0.000 1.012 102 L HN -0.111 nan 8.230 nan 0.000 0.461 103 F N 1.159 121.063 119.950 -0.077 0.000 2.456 103 F HA 0.245 4.772 4.527 0.001 0.000 0.358 103 F C -1.664 173.978 175.800 -0.264 0.000 1.095 103 F CA -2.472 55.375 58.000 -0.255 0.000 1.216 103 F CB -0.281 38.485 39.000 -0.390 0.000 1.125 103 F HN -0.239 nan 8.300 nan 0.000 0.549 104 P HA -0.077 nan 4.420 nan 0.000 0.264 104 P C -0.346 176.989 177.300 0.058 0.000 1.183 104 P CA -0.073 62.995 63.100 -0.053 0.000 0.763 104 P CB 0.394 32.059 31.700 -0.058 0.000 0.807 105 E N 2.043 122.311 120.200 0.113 0.000 2.585 105 E HA 0.101 4.452 4.350 0.002 0.000 0.252 105 E C 1.062 177.812 176.600 0.249 0.000 0.981 105 E CA 1.076 57.565 56.400 0.148 0.000 0.943 105 E CB -0.563 29.213 29.700 0.127 0.000 0.923 105 E HN 0.773 nan 8.360 nan 0.000 0.486 106 G N 4.191 113.132 108.800 0.236 0.000 2.284 106 G HA2 -0.269 3.692 3.960 0.002 0.000 0.201 106 G HA3 -0.269 3.692 3.960 0.002 0.000 0.201 106 G C -0.187 174.952 174.900 0.399 0.000 0.998 106 G CA -0.155 45.140 45.100 0.324 0.000 0.651 106 G HN 0.549 nan 8.290 nan 0.000 0.489 107 F N 2.865 122.838 119.950 0.039 0.000 2.413 107 F HA 0.529 5.057 4.527 0.001 0.000 0.359 107 F C 1.103 176.742 175.800 -0.270 0.000 1.122 107 F CA -0.095 57.753 58.000 -0.253 0.000 1.160 107 F CB 1.488 39.984 39.000 -0.838 0.000 1.146 107 F HN 0.382 nan 8.300 nan 0.000 0.514 108 V N 1.583 121.130 119.914 -0.611 0.000 3.166 108 V HA 0.369 4.490 4.120 0.002 0.000 0.332 108 V C -0.112 175.721 176.094 -0.436 0.000 1.434 108 V CA -0.637 61.452 62.300 -0.353 0.000 1.121 108 V CB -0.958 30.774 31.823 -0.152 0.000 1.062 108 V HN 0.624 nan 8.190 nan 0.000 0.489 109 N N 2.498 120.679 118.700 -0.865 0.000 2.518 109 N HA 0.193 4.934 4.740 0.002 0.000 0.266 109 N C -0.045 175.344 175.510 -0.201 0.000 1.196 109 N CA 0.133 52.907 53.050 -0.461 0.000 0.947 109 N CB 0.635 38.903 38.487 -0.364 0.000 1.098 109 N HN 0.640 nan 8.380 nan 0.000 0.450 110 E N 1.220 121.356 120.200 -0.105 0.000 2.366 110 E HA 0.157 4.508 4.350 0.002 0.000 0.266 110 E C -1.118 175.469 176.600 -0.021 0.000 1.015 110 E CA -0.195 56.149 56.400 -0.094 0.000 0.906 110 E CB 0.426 30.069 29.700 -0.095 0.000 0.979 110 E HN 0.201 nan 8.360 nan 0.000 0.443 111 V N 5.216 125.085 119.914 -0.075 0.000 2.487 111 V HA 0.257 4.378 4.120 0.002 0.000 0.298 111 V C -0.434 175.597 176.094 -0.105 0.000 1.028 111 V CA -0.708 61.564 62.300 -0.047 0.000 0.860 111 V CB 1.647 33.456 31.823 -0.023 0.000 0.991 111 V HN 0.704 nan 8.190 nan 0.000 0.427 112 Q N 3.190 122.957 119.800 -0.055 0.000 2.330 112 Q HA 0.698 5.039 4.340 0.002 0.000 0.269 112 Q C -1.860 174.113 176.000 -0.046 0.000 1.022 112 Q CA -0.478 55.290 55.803 -0.058 0.000 0.796 112 Q CB 2.361 31.075 28.738 -0.041 0.000 1.271 112 Q HN 0.603 nan 8.270 nan 0.000 0.450 113 V N 5.954 125.839 119.914 -0.047 0.000 2.384 113 V HA 0.480 4.600 4.120 0.002 0.000 0.287 113 V C -0.340 175.736 176.094 -0.030 0.000 1.020 113 V CA -0.521 61.751 62.300 -0.046 0.000 0.850 113 V CB 1.438 33.236 31.823 -0.042 0.000 0.987 113 V HN 0.710 nan 8.190 nan 0.000 0.436 114 I N 4.322 124.867 120.570 -0.041 0.000 2.382 114 I HA 0.689 4.860 4.170 0.002 0.000 0.286 114 I C 0.264 176.362 176.117 -0.031 0.000 1.002 114 I CA -0.446 60.840 61.300 -0.023 0.000 1.135 114 I CB 1.742 39.733 38.000 -0.016 0.000 1.288 114 I HN 0.657 nan 8.210 nan 0.000 0.448 115 A N 4.493 127.319 122.820 0.010 0.000 2.271 115 A HA 0.775 5.096 4.320 0.002 0.000 0.317 115 A C -0.270 177.283 177.584 -0.052 0.000 1.245 115 A CA -0.389 51.663 52.037 0.025 0.000 0.857 115 A CB 0.621 19.717 19.000 0.160 0.000 1.175 115 A HN 0.611 nan 8.150 nan 0.000 0.512 116 T N 2.405 116.949 114.554 -0.016 0.000 2.815 116 T HA 0.408 4.759 4.350 0.002 0.000 0.289 116 T C -0.226 174.451 174.700 -0.037 0.000 1.000 116 T CA -0.361 61.705 62.100 -0.056 0.000 0.958 116 T CB 1.143 70.045 68.868 0.057 0.000 0.944 116 T HN 0.394 nan 8.240 nan 0.000 0.442 117 V N 4.772 124.587 119.914 -0.165 0.000 2.439 117 V HA 0.110 4.231 4.120 0.002 0.000 0.271 117 V C 1.402 177.438 176.094 -0.098 0.000 1.040 117 V CA -0.056 62.186 62.300 -0.098 0.000 1.002 117 V CB 0.529 32.274 31.823 -0.131 0.000 1.000 117 V HN 0.894 nan 8.190 nan 0.000 0.477 118 V N 1.481 121.404 119.914 0.014 0.000 3.645 118 V HA 0.443 4.564 4.120 0.002 0.000 0.275 118 V C 0.573 176.748 176.094 0.136 0.000 1.356 118 V CA 0.445 62.812 62.300 0.113 0.000 1.051 118 V CB 0.591 32.529 31.823 0.191 0.000 0.828 118 V HN 0.693 nan 8.190 nan 0.000 0.441 119 S N -0.772 114.966 115.700 0.063 0.000 2.535 119 S HA 0.703 5.174 4.470 0.002 0.000 0.272 119 S C -1.687 172.931 174.600 0.030 0.000 1.149 119 S CA -0.142 58.092 58.200 0.058 0.000 0.888 119 S CB 2.130 65.365 63.200 0.059 0.000 1.110 119 S HN 0.765 nan 8.310 nan 0.000 0.463 120 V N 5.061 124.989 119.914 0.023 0.000 2.612 120 V HA 0.550 4.671 4.120 0.002 0.000 0.301 120 V C -0.998 175.104 176.094 0.014 0.000 1.059 120 V CA -0.757 61.552 62.300 0.015 0.000 0.886 120 V CB 1.771 33.600 31.823 0.009 0.000 1.007 120 V HN 0.947 nan 8.190 nan 0.000 0.426 121 N N 8.778 127.482 118.700 0.007 0.000 2.411 121 N HA 0.373 5.114 4.740 0.002 0.000 0.259 121 N C -1.669 173.845 175.510 0.006 0.000 1.103 121 N CA -1.854 51.199 53.050 0.006 0.000 0.954 121 N CB 2.016 40.502 38.487 -0.003 0.000 1.085 121 N HN 0.460 nan 8.380 nan 0.000 0.485 122 P HA -0.053 nan 4.420 nan 0.000 0.239 122 P C 0.317 177.627 177.300 0.017 0.000 1.184 122 P CA 0.848 63.957 63.100 0.015 0.000 0.760 122 P CB 0.572 32.282 31.700 0.017 0.000 0.884 123 Q N -0.895 118.914 119.800 0.016 0.000 2.317 123 Q HA 0.158 4.499 4.340 0.002 0.000 0.220 123 Q C 0.304 176.310 176.000 0.009 0.000 0.873 123 Q CA 0.342 56.159 55.803 0.023 0.000 0.936 123 Q CB 0.969 29.731 28.738 0.040 0.000 1.105 123 Q HN 0.154 nan 8.270 nan 0.000 0.520 124 V N 2.736 122.637 119.914 -0.022 0.000 2.334 124 V HA 0.226 4.347 4.120 0.002 0.000 0.281 124 V C 0.049 176.120 176.094 -0.038 0.000 1.016 124 V CA -1.029 61.226 62.300 -0.076 0.000 0.832 124 V CB 1.428 33.147 31.823 -0.174 0.000 0.999 124 V HN 0.132 nan 8.190 nan 0.000 0.439 125 N N 7.791 126.478 118.700 -0.022 0.000 2.468 125 N HA 0.148 4.889 4.740 0.002 0.000 0.265 125 N C -1.229 174.288 175.510 0.012 0.000 1.199 125 N CA -1.505 51.548 53.050 0.004 0.000 0.928 125 N CB 1.864 40.356 38.487 0.007 0.000 1.059 125 N HN 0.330 nan 8.380 nan 0.000 0.467 126 P HA -0.098 nan 4.420 nan 0.000 0.230 126 P C 0.476 177.825 177.300 0.080 0.000 1.158 126 P CA 0.701 63.853 63.100 0.087 0.000 0.769 126 P CB 0.278 32.073 31.700 0.158 0.000 0.807 127 D N 0.421 120.826 120.400 0.008 0.000 2.117 127 D HA -0.171 4.470 4.640 0.002 0.000 0.197 127 D C 1.882 178.162 176.300 -0.032 0.000 0.987 127 D CA 0.986 54.935 54.000 -0.086 0.000 0.829 127 D CB -1.088 39.633 40.800 -0.132 0.000 0.961 127 D HN 0.085 nan 8.370 nan 0.000 0.460 128 I N 0.853 121.429 120.570 0.009 0.000 2.252 128 I HA -0.161 4.010 4.170 0.002 0.000 0.245 128 I C 2.598 178.752 176.117 0.062 0.000 1.102 128 I CA 0.519 61.847 61.300 0.048 0.000 1.385 128 I CB -0.902 37.146 38.000 0.080 0.000 1.064 128 I HN -0.001 nan 8.210 nan 0.000 0.414 129 V N 1.520 121.468 119.914 0.055 0.000 2.343 129 V HA -0.234 3.886 4.120 0.002 0.000 0.247 129 V C 2.832 178.966 176.094 0.066 0.000 1.051 129 V CA 1.767 64.103 62.300 0.059 0.000 1.036 129 V CB -1.254 30.598 31.823 0.048 0.000 0.654 129 V HN 0.447 nan 8.190 nan 0.000 0.451 130 A N -0.638 122.230 122.820 0.080 0.000 1.930 130 A HA -0.155 4.166 4.320 0.002 0.000 0.217 130 A C 2.233 179.845 177.584 0.046 0.000 1.175 130 A CA 1.903 53.998 52.037 0.097 0.000 0.627 130 A CB -0.439 18.670 19.000 0.181 0.000 0.815 130 A HN 0.498 nan 8.150 nan 0.000 0.443 131 M N -0.753 118.862 119.600 0.025 0.000 2.175 131 M HA -0.033 4.448 4.480 0.002 0.000 0.264 131 M C 1.957 178.271 176.300 0.025 0.000 1.063 131 M CA 1.364 56.674 55.300 0.018 0.000 1.119 131 M CB -0.429 32.181 32.600 0.016 0.000 1.377 131 M HN 0.372 nan 8.290 nan 0.000 0.415 132 I N -0.222 120.369 120.570 0.036 0.000 2.315 132 I HA -0.167 4.004 4.170 0.002 0.000 0.248 132 I C 2.568 178.698 176.117 0.020 0.000 1.117 132 I CA 1.284 62.604 61.300 0.034 0.000 1.404 132 I CB -0.856 37.177 38.000 0.056 0.000 1.071 132 I HN 0.356 nan 8.210 nan 0.000 0.419 133 G N 0.508 109.319 108.800 0.018 0.000 2.418 133 G HA2 -0.223 3.738 3.960 0.002 0.000 0.217 133 G HA3 -0.223 3.738 3.960 0.002 0.000 0.217 133 G C 1.861 176.734 174.900 -0.046 0.000 1.158 133 G CA 0.794 45.889 45.100 -0.008 0.000 0.771 133 G HN 0.481 nan 8.290 nan 0.000 0.545 134 A N 0.420 123.216 122.820 -0.040 0.000 1.930 134 A HA 0.036 4.357 4.320 0.002 0.000 0.217 134 A C 2.614 180.126 177.584 -0.120 0.000 1.175 134 A CA 2.197 54.187 52.037 -0.078 0.000 0.627 134 A CB -0.708 18.265 19.000 -0.045 0.000 0.815 134 A HN 0.404 nan 8.150 nan 0.000 0.443 135 S N -0.472 115.196 115.700 -0.053 0.000 2.368 135 S HA -0.016 4.455 4.470 0.002 0.000 0.224 135 S C 2.180 176.758 174.600 -0.037 0.000 1.029 135 S CA 1.528 59.721 58.200 -0.011 0.000 0.988 135 S CB -0.430 62.797 63.200 0.044 0.000 0.838 135 S HN 0.771 nan 8.310 nan 0.000 0.462 136 A N 1.263 124.058 122.820 -0.041 0.000 1.873 136 A HA 0.260 4.581 4.320 0.002 0.000 0.215 136 A C 2.446 179.985 177.584 -0.076 0.000 1.186 136 A CA 1.751 53.764 52.037 -0.039 0.000 0.616 136 A CB -1.353 17.638 19.000 -0.015 0.000 0.823 136 A HN 0.714 nan 8.150 nan 0.000 0.442 137 A N -0.426 122.328 122.820 -0.110 0.000 1.902 137 A HA -0.004 4.317 4.320 0.002 0.000 0.217 137 A C 2.173 179.646 177.584 -0.185 0.000 1.181 137 A CA 1.452 53.407 52.037 -0.136 0.000 0.623 137 A CB -0.566 18.340 19.000 -0.156 0.000 0.818 137 A HN 0.455 nan 8.150 nan 0.000 0.443 138 L N -0.474 120.572 121.223 -0.295 0.000 2.093 138 L HA -0.131 4.210 4.340 0.002 0.000 0.208 138 L C 2.776 179.440 176.870 -0.343 0.000 1.085 138 L CA 1.382 55.920 54.840 -0.504 0.000 0.755 138 L CB -0.253 41.121 42.059 -1.142 0.000 0.904 138 L HN 0.319 nan 8.230 nan 0.000 0.435 139 S N -0.194 115.415 115.700 -0.151 0.000 2.402 139 S HA -0.067 4.404 4.470 0.002 0.000 0.229 139 S C 1.888 176.464 174.600 -0.040 0.000 1.021 139 S CA 0.979 59.181 58.200 0.003 0.000 0.974 139 S CB -0.129 63.096 63.200 0.042 0.000 0.800 139 S HN 0.296 nan 8.310 nan 0.000 0.484 140 L N 1.676 122.863 121.223 -0.061 0.000 2.240 140 L HA -0.020 4.321 4.340 0.002 0.000 0.211 140 L C 2.592 179.441 176.870 -0.035 0.000 1.106 140 L CA 0.941 55.758 54.840 -0.038 0.000 0.793 140 L CB -0.528 41.512 42.059 -0.031 0.000 0.927 140 L HN 0.394 nan 8.230 nan 0.000 0.446 141 S N -0.506 115.147 115.700 -0.079 0.000 2.402 141 S HA -0.054 4.417 4.470 0.002 0.000 0.229 141 S C 1.785 176.361 174.600 -0.040 0.000 1.021 141 S CA 0.921 59.082 58.200 -0.065 0.000 0.974 141 S CB -0.181 62.936 63.200 -0.139 0.000 0.800 141 S HN 0.522 nan 8.310 nan 0.000 0.484 142 G N 1.013 109.746 108.800 -0.110 0.000 2.217 142 G HA2 -0.233 3.728 3.960 0.002 0.000 0.246 142 G HA3 -0.233 3.728 3.960 0.002 0.000 0.246 142 G C 0.101 174.705 174.900 -0.493 0.000 0.990 142 G CA 0.017 45.063 45.100 -0.090 0.000 0.627 142 G HN 0.601 nan 8.290 nan 0.000 0.522 143 I N 2.879 122.957 120.570 -0.820 0.000 2.752 143 I HA 0.158 4.329 4.170 0.002 0.000 0.289 143 I C -1.601 174.087 176.117 -0.714 0.000 1.197 143 I CA -1.417 59.162 61.300 -1.202 0.000 1.432 143 I CB 0.534 38.029 38.000 -0.842 0.000 1.359 143 I HN -0.093 nan 8.210 nan 0.000 0.571 144 P HA -0.043 nan 4.420 nan 0.000 0.253 144 P C -0.908 176.050 177.300 -0.570 0.000 1.170 144 P CA 0.635 63.356 63.100 -0.632 0.000 0.806 144 P CB -0.123 31.005 31.700 -0.954 0.000 0.775 145 F N 3.576 123.168 119.950 -0.596 0.000 2.651 145 F HA 0.298 4.826 4.527 0.001 0.000 0.329 145 F C -0.354 175.183 175.800 -0.440 0.000 1.186 145 F CA -0.758 56.829 58.000 -0.689 0.000 1.046 145 F CB 1.269 39.828 39.000 -0.735 0.000 1.296 145 F HN 0.021 nan 8.300 nan 0.000 0.497 146 N N 4.178 122.321 118.700 -0.929 0.000 2.623 146 N HA 0.204 4.945 4.740 0.002 0.000 0.263 146 N C 0.513 175.534 175.510 -0.815 0.000 1.218 146 N CA 0.321 52.968 53.050 -0.671 0.000 0.949 146 N CB 0.676 38.907 38.487 -0.426 0.000 1.270 146 N HN 0.811 nan 8.380 nan 0.000 0.507 147 G N 0.773 108.883 108.800 -1.151 0.000 2.630 147 G HA2 0.432 4.393 3.960 0.002 0.000 0.223 147 G HA3 0.432 4.393 3.960 0.002 0.000 0.223 147 G C -2.368 172.361 174.900 -0.285 0.000 1.434 147 G CA -0.587 44.085 45.100 -0.713 0.000 1.057 147 G HN 0.094 nan 8.290 nan 0.000 0.570 148 P HA 0.391 nan 4.420 nan 0.000 0.279 148 P C -0.318 176.949 177.300 -0.055 0.000 1.252 148 P CA -0.448 62.644 63.100 -0.013 0.000 0.811 148 P CB 1.065 32.761 31.700 -0.007 0.000 1.035 149 I N -2.017 118.565 120.570 0.019 0.000 2.676 149 I HA 0.817 4.988 4.170 0.002 0.000 0.309 149 I C 0.403 176.514 176.117 -0.010 0.000 0.990 149 I CA -0.754 60.547 61.300 0.002 0.000 1.168 149 I CB 1.556 39.582 38.000 0.043 0.000 1.343 149 I HN 0.293 nan 8.210 nan 0.000 0.482 150 G N 2.179 110.967 108.800 -0.021 0.000 2.601 150 G HA2 0.812 4.773 3.960 0.002 0.000 0.317 150 G HA3 0.812 4.773 3.960 0.002 0.000 0.317 150 G C -1.397 173.515 174.900 0.020 0.000 1.246 150 G CA -0.676 44.402 45.100 -0.036 0.000 1.012 150 G HN 1.083 nan 8.290 nan 0.000 0.494 151 A N -1.366 121.481 122.820 0.046 0.000 2.488 151 A HA 0.879 5.200 4.320 0.002 0.000 0.295 151 A C -0.590 177.108 177.584 0.191 0.000 1.045 151 A CA 0.074 52.169 52.037 0.096 0.000 0.703 151 A CB 1.457 20.504 19.000 0.078 0.000 1.271 151 A HN 2.206 nan 8.150 nan 0.000 0.400 152 A N 1.760 124.675 122.820 0.159 0.000 2.488 152 A HA 0.791 5.111 4.320 0.002 0.000 0.298 152 A C -0.524 177.127 177.584 0.111 0.000 1.044 152 A CA -0.559 51.583 52.037 0.174 0.000 0.693 152 A CB 1.181 20.282 19.000 0.168 0.000 1.272 152 A HN 1.071 nan 8.150 nan 0.000 0.402 153 R N 1.843 122.402 120.500 0.097 0.000 2.312 153 R HA 0.646 4.987 4.340 0.002 0.000 0.311 153 R C -1.465 174.911 176.300 0.126 0.000 1.004 153 R CA -0.233 55.920 56.100 0.088 0.000 0.902 153 R CB 1.073 31.413 30.300 0.066 0.000 1.073 153 R HN 0.481 nan 8.270 nan 0.000 0.457 154 V N 3.932 123.931 119.914 0.141 0.000 2.448 154 V HA 0.567 4.688 4.120 0.002 0.000 0.295 154 V C 0.597 176.789 176.094 0.163 0.000 1.025 154 V CA -0.616 61.805 62.300 0.201 0.000 0.859 154 V CB 1.576 33.533 31.823 0.225 0.000 0.988 154 V HN 0.990 nan 8.190 nan 0.000 0.431 155 G N 2.083 110.983 108.800 0.167 0.000 2.552 155 G HA2 0.573 4.534 3.960 0.002 0.000 0.324 155 G HA3 0.573 4.534 3.960 0.002 0.000 0.324 155 G C -1.856 173.181 174.900 0.228 0.000 1.217 155 G CA -0.460 44.732 45.100 0.154 0.000 0.989 155 G HN 0.555 nan 8.290 nan 0.000 0.490 156 Y N 0.493 120.799 120.300 0.010 0.000 2.609 156 Y HA 0.531 5.079 4.550 -0.004 0.000 0.350 156 Y C -0.688 175.170 175.900 -0.071 0.000 1.050 156 Y CA -0.987 57.081 58.100 -0.053 0.000 1.290 156 Y CB 0.627 39.064 38.460 -0.037 0.000 1.094 156 Y HN 0.310 nan 8.280 nan 0.000 0.583 157 I N 4.775 125.189 120.570 -0.260 0.000 2.406 157 I HA 0.282 4.453 4.170 0.002 0.000 0.290 157 I C -0.132 175.789 176.117 -0.326 0.000 0.999 157 I CA -0.819 60.348 61.300 -0.222 0.000 1.124 157 I CB 1.394 39.327 38.000 -0.112 0.000 1.289 157 I HN 0.531 nan 8.210 nan 0.000 0.441 158 N N 4.978 123.505 118.700 -0.289 0.000 2.735 158 N HA -0.203 4.538 4.740 0.002 0.000 0.248 158 N C -0.558 174.710 175.510 -0.404 0.000 1.083 158 N CA 1.185 54.072 53.050 -0.271 0.000 0.703 158 N CB -0.922 37.455 38.487 -0.184 0.000 1.005 158 N HN 0.853 nan 8.380 nan 0.000 0.550 159 D N -1.915 118.066 120.400 -0.699 0.000 2.945 159 D HA -0.188 4.453 4.640 0.002 0.000 0.225 159 D C -0.342 175.404 176.300 -0.923 0.000 1.158 159 D CA 1.105 54.537 54.000 -0.946 0.000 0.805 159 D CB -0.632 39.960 40.800 -0.346 0.000 1.098 159 D HN 0.491 nan 8.370 nan 0.000 0.426 160 Q N -0.494 118.751 119.800 -0.924 0.000 2.375 160 Q HA 0.382 4.723 4.340 0.002 0.000 0.271 160 Q C -0.293 175.380 176.000 -0.545 0.000 1.074 160 Q CA -0.632 54.809 55.803 -0.603 0.000 0.808 160 Q CB 1.256 29.794 28.738 -0.333 0.000 1.327 160 Q HN 0.198 nan 8.270 nan 0.000 0.441 161 Y N 0.172 120.293 120.300 -0.298 0.000 2.425 161 Y HA 0.302 4.854 4.550 0.003 0.000 0.331 161 Y C 0.500 176.103 175.900 -0.495 0.000 1.157 161 Y CA -0.451 57.362 58.100 -0.477 0.000 1.372 161 Y CB 0.838 38.641 38.460 -1.095 0.000 1.253 161 Y HN 0.164 nan 8.280 nan 0.000 0.536 162 V N 5.338 125.209 119.914 -0.072 0.000 2.487 162 V HA 0.211 4.332 4.120 0.002 0.000 0.298 162 V C -0.608 175.616 176.094 0.217 0.000 1.028 162 V CA -0.943 61.388 62.300 0.052 0.000 0.860 162 V CB 1.723 33.562 31.823 0.026 0.000 0.991 162 V HN 0.514 nan 8.190 nan 0.000 0.427 163 L N 5.742 127.152 121.223 0.313 0.000 2.331 163 L HA 0.496 4.837 4.340 0.002 0.000 0.278 163 L C 0.680 177.593 176.870 0.072 0.000 1.106 163 L CA 0.422 55.407 54.840 0.242 0.000 0.824 163 L CB 0.161 42.291 42.059 0.120 0.000 1.142 163 L HN 0.759 nan 8.230 nan 0.000 0.443 164 N N 3.659 122.391 118.700 0.053 0.000 2.678 164 N HA -0.163 4.578 4.740 0.002 0.000 0.268 164 N C -2.365 173.201 175.510 0.093 0.000 1.010 164 N CA 0.664 53.745 53.050 0.051 0.000 0.784 164 N CB -1.300 37.193 38.487 0.010 0.000 0.905 164 N HN 0.519 nan 8.380 nan 0.000 0.552 165 P HA 0.032 nan 4.420 nan 0.000 0.271 165 P C 0.637 177.984 177.300 0.078 0.000 1.218 165 P CA 0.009 63.153 63.100 0.073 0.000 0.780 165 P CB 0.502 32.238 31.700 0.060 0.000 0.901 166 T N -0.146 114.456 114.554 0.079 0.000 2.701 166 T HA 0.008 4.359 4.350 0.002 0.000 0.303 166 T C 1.477 176.205 174.700 0.047 0.000 1.030 166 T CA -0.343 61.800 62.100 0.072 0.000 1.010 166 T CB 0.180 69.091 68.868 0.073 0.000 1.007 166 T HN 0.301 nan 8.240 nan 0.000 0.532 167 Q N 0.450 120.274 119.800 0.038 0.000 2.170 167 Q HA -0.103 4.238 4.340 0.002 0.000 0.203 167 Q C 1.861 177.878 176.000 0.029 0.000 0.976 167 Q CA 1.545 57.367 55.803 0.031 0.000 0.858 167 Q CB -0.489 28.266 28.738 0.027 0.000 0.907 167 Q HN 0.709 nan 8.270 nan 0.000 0.433 168 D N 0.564 120.980 120.400 0.028 0.000 2.149 168 D HA -0.098 4.543 4.640 0.002 0.000 0.201 168 D C 1.625 177.936 176.300 0.019 0.000 0.972 168 D CA 0.726 54.739 54.000 0.022 0.000 0.835 168 D CB 0.060 40.872 40.800 0.019 0.000 0.966 168 D HN 0.394 nan 8.370 nan 0.000 0.476 169 E N 0.130 120.343 120.200 0.023 0.000 2.152 169 E HA -0.021 4.330 4.350 0.002 0.000 0.192 169 E C 2.195 178.808 176.600 0.021 0.000 0.983 169 E CA 0.112 56.522 56.400 0.018 0.000 0.818 169 E CB 0.055 29.767 29.700 0.020 0.000 0.758 169 E HN 0.220 nan 8.360 nan 0.000 0.467 170 L N 0.874 122.115 121.223 0.030 0.000 2.191 170 L HA -0.183 4.158 4.340 0.002 0.000 0.212 170 L C 2.080 178.967 176.870 0.030 0.000 1.103 170 L CA 1.065 55.926 54.840 0.034 0.000 0.769 170 L CB -0.134 41.947 42.059 0.037 0.000 0.908 170 L HN 0.027 nan 8.230 nan 0.000 0.438 171 K N -0.381 120.033 120.400 0.024 0.000 2.280 171 K HA -0.128 4.193 4.320 0.002 0.000 0.202 171 K C 1.295 177.905 176.600 0.016 0.000 1.047 171 K CA 0.789 57.089 56.287 0.021 0.000 0.942 171 K CB 0.108 32.619 32.500 0.017 0.000 0.739 171 K HN 0.206 nan 8.250 nan 0.000 0.457 172 E N 0.145 120.352 120.200 0.011 0.000 2.501 172 E HA 0.064 4.414 4.350 0.002 0.000 0.201 172 E C -0.288 176.315 176.600 0.005 0.000 1.016 172 E CA 0.064 56.465 56.400 0.002 0.000 0.920 172 E CB 0.951 30.645 29.700 -0.010 0.000 1.023 172 E HN -0.038 nan 8.360 nan 0.000 0.474 173 S N 0.409 116.123 115.700 0.023 0.000 2.554 173 S HA 0.122 4.593 4.470 0.002 0.000 0.278 173 S C 0.947 175.587 174.600 0.067 0.000 1.242 173 S CA -0.376 57.852 58.200 0.046 0.000 1.051 173 S CB 1.099 64.335 63.200 0.059 0.000 0.986 173 S HN -0.150 nan 8.310 nan 0.000 0.502 174 K N 2.725 123.193 120.400 0.113 0.000 2.444 174 K HA 0.302 4.623 4.320 0.002 0.000 0.193 174 K C -0.064 176.597 176.600 0.101 0.000 1.024 174 K CA -0.044 56.314 56.287 0.118 0.000 1.077 174 K CB -0.519 32.088 32.500 0.180 0.000 0.833 174 K HN 0.558 nan 8.250 nan 0.000 0.517 175 L N 0.352 121.644 121.223 0.115 0.000 2.482 175 L HA 0.534 4.875 4.340 0.002 0.000 0.263 175 L C -2.158 174.759 176.870 0.079 0.000 0.957 175 L CA -0.445 54.446 54.840 0.084 0.000 0.836 175 L CB 2.533 44.650 42.059 0.096 0.000 1.324 175 L HN -0.124 nan 8.230 nan 0.000 0.406 176 D N 4.657 125.088 120.400 0.051 0.000 2.375 176 D HA 0.347 4.988 4.640 0.002 0.000 0.259 176 D C -1.729 174.589 176.300 0.030 0.000 1.235 176 D CA 0.045 54.072 54.000 0.045 0.000 0.924 176 D CB 1.021 41.842 40.800 0.034 0.000 1.143 176 D HN 0.637 nan 8.370 nan 0.000 0.529 177 L N 3.042 124.290 121.223 0.042 0.000 2.346 177 L HA 0.654 4.995 4.340 0.002 0.000 0.276 177 L C -1.358 175.532 176.870 0.034 0.000 1.006 177 L CA -0.666 54.189 54.840 0.025 0.000 0.817 177 L CB 1.910 43.984 42.059 0.025 0.000 1.272 177 L HN 0.015 nan 8.230 nan 0.000 0.421 178 V N 5.457 125.379 119.914 0.013 0.000 2.444 178 V HA 0.508 4.629 4.120 0.002 0.000 0.294 178 V C -0.607 175.495 176.094 0.013 0.000 1.022 178 V CA -0.615 61.697 62.300 0.021 0.000 0.850 178 V CB 1.797 33.623 31.823 0.006 0.000 0.992 178 V HN 0.519 nan 8.190 nan 0.000 0.426 179 V N 4.719 124.654 119.914 0.035 0.000 2.588 179 V HA 0.966 5.087 4.120 0.002 0.000 0.304 179 V C -0.182 175.946 176.094 0.056 0.000 1.042 179 V CA -0.076 62.244 62.300 0.033 0.000 0.877 179 V CB 1.763 33.610 31.823 0.039 0.000 0.996 179 V HN 1.123 nan 8.190 nan 0.000 0.425 180 A N 4.375 127.222 122.820 0.045 0.000 2.386 180 A HA 1.065 5.386 4.320 0.002 0.000 0.311 180 A C -0.060 177.563 177.584 0.065 0.000 1.068 180 A CA 0.026 52.097 52.037 0.057 0.000 0.743 180 A CB 1.933 20.957 19.000 0.040 0.000 1.258 180 A HN 1.975 nan 8.150 nan 0.000 0.429 181 G N -0.399 108.457 108.800 0.093 0.000 2.451 181 G HA2 0.629 4.590 3.960 0.002 0.000 0.292 181 G HA3 0.629 4.590 3.960 0.002 0.000 0.292 181 G C -0.257 174.694 174.900 0.086 0.000 1.427 181 G CA 0.296 45.455 45.100 0.099 0.000 0.792 181 G HN 1.399 nan 8.290 nan 0.000 0.498 182 T N -2.305 112.287 114.554 0.063 0.000 2.793 182 T HA 0.372 4.723 4.350 0.002 0.000 0.299 182 T C 1.283 176.004 174.700 0.036 0.000 1.038 182 T CA 0.667 62.766 62.100 -0.001 0.000 0.948 182 T CB 1.339 70.169 68.868 -0.063 0.000 1.231 182 T HN 0.653 nan 8.240 nan 0.000 0.538 183 E N -0.067 120.109 120.200 -0.040 0.000 2.153 183 E HA -0.104 4.246 4.350 0.002 0.000 0.194 183 E C 2.132 178.741 176.600 0.015 0.000 0.988 183 E CA 1.041 57.403 56.400 -0.064 0.000 0.811 183 E CB -0.460 29.192 29.700 -0.080 0.000 0.746 183 E HN 0.718 nan 8.360 nan 0.000 0.466 184 A N 0.426 123.272 122.820 0.043 0.000 1.911 184 A HA 0.463 4.784 4.320 0.002 0.000 0.212 184 A C 0.975 178.614 177.584 0.090 0.000 1.189 184 A CA 0.789 52.858 52.037 0.053 0.000 0.639 184 A CB 0.216 19.212 19.000 -0.006 0.000 0.839 184 A HN 0.291 nan 8.150 nan 0.000 0.449 185 A N -1.343 121.514 122.820 0.061 0.000 2.556 185 A HA 0.599 4.919 4.320 0.002 0.000 0.294 185 A C -0.751 176.703 177.584 -0.217 0.000 1.091 185 A CA -0.445 51.522 52.037 -0.117 0.000 0.704 185 A CB 0.866 19.810 19.000 -0.092 0.000 1.300 185 A HN 0.376 nan 8.150 nan 0.000 0.406 186 V N 1.708 121.379 119.914 -0.406 0.000 2.614 186 V HA 0.205 4.326 4.120 0.002 0.000 0.291 186 V C 0.784 176.812 176.094 -0.110 0.000 1.049 186 V CA 0.364 62.500 62.300 -0.274 0.000 1.038 186 V CB 0.897 32.557 31.823 -0.271 0.000 0.980 186 V HN 0.811 nan 8.190 nan 0.000 0.481 187 L N 3.211 124.402 121.223 -0.052 0.000 2.653 187 L HA 0.405 4.746 4.340 0.002 0.000 0.230 187 L C 0.389 177.250 176.870 -0.014 0.000 1.055 187 L CA 0.424 55.249 54.840 -0.024 0.000 0.880 187 L CB 0.460 42.514 42.059 -0.010 0.000 1.195 187 L HN 0.494 nan 8.230 nan 0.000 0.492 188 M N 0.840 120.429 119.600 -0.018 0.000 2.371 188 M HA 0.483 4.964 4.480 0.002 0.000 0.287 188 M C -2.188 174.087 176.300 -0.041 0.000 1.149 188 M CA -0.387 54.899 55.300 -0.025 0.000 0.929 188 M CB 2.491 35.087 32.600 -0.006 0.000 1.683 188 M HN -0.276 nan 8.290 nan 0.000 0.470 189 V N 3.426 123.296 119.914 -0.073 0.000 2.686 189 V HA 0.552 4.673 4.120 0.002 0.000 0.306 189 V C -1.171 174.866 176.094 -0.096 0.000 1.065 189 V CA -0.565 61.683 62.300 -0.087 0.000 0.894 189 V CB 2.211 33.956 31.823 -0.129 0.000 1.004 189 V HN 0.871 nan 8.190 nan 0.000 0.424 190 E N 3.162 123.320 120.200 -0.071 0.000 2.260 190 E HA 0.759 5.110 4.350 0.002 0.000 0.266 190 E C -0.887 175.679 176.600 -0.056 0.000 0.887 190 E CA -0.202 56.156 56.400 -0.070 0.000 0.777 190 E CB 2.032 31.698 29.700 -0.057 0.000 1.205 190 E HN 0.857 nan 8.360 nan 0.000 0.414 191 S N 2.724 118.385 115.700 -0.064 0.000 2.550 191 S HA 0.693 5.164 4.470 0.002 0.000 0.270 191 S C -1.188 173.386 174.600 -0.043 0.000 1.145 191 S CA -1.130 57.043 58.200 -0.045 0.000 0.852 191 S CB 1.277 64.448 63.200 -0.048 0.000 1.119 191 S HN 0.494 nan 8.310 nan 0.000 0.465 192 E N 0.768 120.954 120.200 -0.022 0.000 2.248 192 E HA 0.798 5.149 4.350 0.002 0.000 0.267 192 E C -0.867 175.730 176.600 -0.004 0.000 0.877 192 E CA -1.449 54.942 56.400 -0.015 0.000 0.759 192 E CB 2.029 31.727 29.700 -0.002 0.000 1.182 192 E HN 0.964 nan 8.360 nan 0.000 0.418 193 A N 2.606 125.421 122.820 -0.008 0.000 2.515 193 A HA 0.409 4.730 4.320 0.002 0.000 0.296 193 A C -0.745 176.839 177.584 -0.001 0.000 1.094 193 A CA -0.897 51.137 52.037 -0.006 0.000 0.718 193 A CB 1.529 20.513 19.000 -0.027 0.000 1.307 193 A HN 0.740 nan 8.150 nan 0.000 0.408 194 E N 1.555 121.760 120.200 0.007 0.000 2.110 194 E HA 0.392 4.743 4.350 0.002 0.000 0.300 194 E C -0.871 175.729 176.600 0.001 0.000 1.278 194 E CA -0.204 56.201 56.400 0.009 0.000 1.365 194 E CB -0.512 29.201 29.700 0.022 0.000 1.283 194 E HN 0.557 nan 8.360 nan 0.000 0.490 195 L N 1.356 122.574 121.223 -0.008 0.000 3.713 195 L HA -0.271 4.070 4.340 0.002 0.000 0.499 195 L C -0.355 176.505 176.870 -0.017 0.000 1.281 195 L CA 0.217 55.050 54.840 -0.011 0.000 0.796 195 L CB -1.557 40.498 42.059 -0.007 0.000 1.535 195 L HN 0.510 nan 8.230 nan 0.000 0.851 196 L N -0.382 120.819 121.223 -0.036 0.000 2.421 196 L HA 0.499 4.839 4.340 0.002 0.000 0.263 196 L C 1.228 178.068 176.870 -0.049 0.000 1.122 196 L CA -0.082 54.718 54.840 -0.066 0.000 0.804 196 L CB 1.520 43.493 42.059 -0.143 0.000 1.150 196 L HN 0.484 nan 8.230 nan 0.000 0.457 197 S N -0.113 115.557 115.700 -0.050 0.000 2.624 197 S HA 0.101 4.572 4.470 0.002 0.000 0.263 197 S C 0.722 175.313 174.600 -0.015 0.000 1.287 197 S CA -0.519 57.668 58.200 -0.022 0.000 0.990 197 S CB 1.148 64.341 63.200 -0.012 0.000 0.950 197 S HN 0.610 nan 8.310 nan 0.000 0.561 198 E N 0.686 120.890 120.200 0.007 0.000 2.110 198 E HA -0.089 4.261 4.350 0.002 0.000 0.193 198 E C 1.420 178.036 176.600 0.025 0.000 0.988 198 E CA 1.586 58.000 56.400 0.023 0.000 0.804 198 E CB -0.227 29.492 29.700 0.032 0.000 0.745 198 E HN 0.654 nan 8.360 nan 0.000 0.458 199 D N 0.066 120.480 120.400 0.024 0.000 2.144 199 D HA -0.119 4.522 4.640 0.002 0.000 0.200 199 D C 1.812 178.144 176.300 0.053 0.000 0.978 199 D CA 0.817 54.840 54.000 0.039 0.000 0.833 199 D CB -0.109 40.715 40.800 0.040 0.000 0.961 199 D HN 0.271 nan 8.370 nan 0.000 0.470 200 Q N -0.539 119.267 119.800 0.010 0.000 2.119 200 Q HA -0.045 4.296 4.340 0.002 0.000 0.201 200 Q C 2.079 178.080 176.000 0.001 0.000 0.972 200 Q CA 0.808 56.594 55.803 -0.029 0.000 0.847 200 Q CB 0.074 28.674 28.738 -0.231 0.000 0.903 200 Q HN 0.205 nan 8.270 nan 0.000 0.433 201 M N -0.066 119.519 119.600 -0.025 0.000 2.200 201 M HA -0.083 4.398 4.480 0.002 0.000 0.265 201 M C 2.145 178.440 176.300 -0.009 0.000 1.066 201 M CA 0.930 56.216 55.300 -0.024 0.000 1.127 201 M CB -0.785 31.802 32.600 -0.021 0.000 1.379 201 M HN 0.241 nan 8.290 nan 0.000 0.420 202 L N 0.584 121.817 121.223 0.017 0.000 2.056 202 L HA 0.028 4.369 4.340 0.002 0.000 0.207 202 L C 2.279 179.142 176.870 -0.011 0.000 1.078 202 L CA 1.963 56.815 54.840 0.020 0.000 0.749 202 L CB -1.265 40.818 42.059 0.040 0.000 0.901 202 L HN 0.300 nan 8.230 nan 0.000 0.433 203 G N -1.075 107.729 108.800 0.006 0.000 2.432 203 G HA2 -0.236 3.725 3.960 0.002 0.000 0.219 203 G HA3 -0.236 3.725 3.960 0.002 0.000 0.219 203 G C 1.580 176.192 174.900 -0.480 0.000 1.135 203 G CA 0.744 45.808 45.100 -0.060 0.000 0.767 203 G HN 0.622 nan 8.290 nan 0.000 0.550 204 A N 0.134 122.658 122.820 -0.493 0.000 1.898 204 A HA 0.127 4.448 4.320 0.002 0.000 0.216 204 A C 2.584 180.076 177.584 -0.154 0.000 1.181 204 A CA 1.683 53.417 52.037 -0.505 0.000 0.620 204 A CB -0.497 18.412 19.000 -0.152 0.000 0.819 204 A HN 0.239 nan 8.150 nan 0.000 0.442 205 V N -0.365 119.499 119.914 -0.084 0.000 2.358 205 V HA -0.209 3.912 4.120 0.002 0.000 0.246 205 V C 2.558 178.658 176.094 0.010 0.000 1.047 205 V CA 1.935 64.221 62.300 -0.023 0.000 1.035 205 V CB -0.761 31.046 31.823 -0.026 0.000 0.658 205 V HN 0.363 nan 8.190 nan 0.000 0.452 206 V N -0.456 119.456 119.914 -0.003 0.000 2.358 206 V HA -0.257 3.864 4.120 0.002 0.000 0.246 206 V C 2.164 178.297 176.094 0.065 0.000 1.047 206 V CA 2.386 64.711 62.300 0.042 0.000 1.035 206 V CB -0.765 31.078 31.823 0.034 0.000 0.658 206 V HN 0.565 nan 8.190 nan 0.000 0.452 207 F N 2.121 121.981 119.950 -0.149 0.000 2.069 207 F HA -0.110 4.420 4.527 0.005 0.000 0.298 207 F C 2.223 177.997 175.800 -0.044 0.000 1.113 207 F CA 1.992 59.912 58.000 -0.134 0.000 1.214 207 F CB -0.906 37.897 39.000 -0.328 0.000 0.978 207 F HN 0.142 nan 8.300 nan 0.000 0.474 208 G N -1.211 107.598 108.800 0.015 0.000 2.432 208 G HA2 -0.297 3.664 3.960 0.002 0.000 0.219 208 G HA3 -0.297 3.664 3.960 0.002 0.000 0.219 208 G C 1.769 176.660 174.900 -0.014 0.000 1.135 208 G CA 0.982 46.069 45.100 -0.022 0.000 0.767 208 G HN 0.590 nan 8.290 nan 0.000 0.550 209 H N 0.499 119.527 119.070 -0.070 0.000 2.428 209 H HA 0.069 4.626 4.556 0.001 0.000 0.296 209 H C 2.307 177.586 175.328 -0.080 0.000 1.062 209 H CA 1.345 57.358 56.048 -0.058 0.000 1.350 209 H CB 0.285 30.021 29.762 -0.043 0.000 1.403 209 H HN 0.461 nan 8.280 nan 0.000 0.533 210 E N 0.026 120.137 120.200 -0.148 0.000 2.072 210 E HA -0.130 4.221 4.350 0.002 0.000 0.190 210 E C 2.384 178.852 176.600 -0.220 0.000 0.982 210 E CA 0.481 56.763 56.400 -0.196 0.000 0.803 210 E CB 0.227 29.849 29.700 -0.129 0.000 0.755 210 E HN 0.436 nan 8.360 nan 0.000 0.453 211 Q N 0.417 120.046 119.800 -0.284 0.000 2.167 211 Q HA -0.165 4.176 4.340 0.002 0.000 0.202 211 Q C 1.983 178.010 176.000 0.045 0.000 0.970 211 Q CA 1.179 56.861 55.803 -0.201 0.000 0.855 211 Q CB -0.088 28.406 28.738 -0.408 0.000 0.911 211 Q HN 0.522 nan 8.270 nan 0.000 0.438 212 Q N -0.536 119.260 119.800 -0.006 0.000 2.444 212 Q HA -0.011 4.330 4.340 0.002 0.000 0.206 212 Q C 1.284 177.186 176.000 -0.164 0.000 0.948 212 Q CA 0.160 55.957 55.803 -0.010 0.000 0.946 212 Q CB 0.188 28.933 28.738 0.011 0.000 1.027 212 Q HN 0.109 nan 8.270 nan 0.000 0.513 213 Q N 0.709 120.400 119.800 -0.182 0.000 2.226 213 Q HA -0.092 4.249 4.340 0.002 0.000 0.204 213 Q C 2.122 177.998 176.000 -0.206 0.000 0.975 213 Q CA 1.168 56.847 55.803 -0.207 0.000 0.866 213 Q CB -0.307 28.313 28.738 -0.196 0.000 0.915 213 Q HN 0.368 nan 8.270 nan 0.000 0.440 214 V N 0.298 120.102 119.914 -0.184 0.000 2.515 214 V HA -0.176 3.945 4.120 0.002 0.000 0.250 214 V C 2.131 177.930 176.094 -0.492 0.000 1.058 214 V CA 1.084 63.240 62.300 -0.238 0.000 1.064 214 V CB -0.133 31.656 31.823 -0.056 0.000 0.675 214 V HN 0.115 nan 8.190 nan 0.000 0.461 215 V N 0.142 119.775 119.914 -0.468 0.000 2.307 215 V HA -0.218 3.903 4.120 0.002 0.000 0.245 215 V C 2.239 178.105 176.094 -0.379 0.000 1.045 215 V CA 2.434 64.441 62.300 -0.489 0.000 1.024 215 V CB -0.516 31.074 31.823 -0.388 0.000 0.651 215 V HN 0.499 nan 8.190 nan 0.000 0.449 216 I N -0.241 120.162 120.570 -0.277 0.000 2.226 216 I HA -0.297 3.874 4.170 0.002 0.000 0.245 216 I C 2.668 178.654 176.117 -0.217 0.000 1.100 216 I CA 1.565 62.742 61.300 -0.205 0.000 1.374 216 I CB -0.413 37.486 38.000 -0.168 0.000 1.057 216 I HN 0.336 nan 8.210 nan 0.000 0.413 217 Q N 0.431 120.079 119.800 -0.253 0.000 2.084 217 Q HA -0.169 4.172 4.340 0.002 0.000 0.202 217 Q C 2.022 177.865 176.000 -0.263 0.000 0.978 217 Q CA 1.346 57.013 55.803 -0.228 0.000 0.844 217 Q CB -0.140 28.471 28.738 -0.213 0.000 0.898 217 Q HN 0.505 nan 8.270 nan 0.000 0.426 218 N N 0.244 118.691 118.700 -0.422 0.000 2.270 218 N HA -0.052 4.689 4.740 0.002 0.000 0.181 218 N C 1.757 177.115 175.510 -0.253 0.000 1.016 218 N CA 0.875 53.659 53.050 -0.443 0.000 0.870 218 N CB 0.109 38.005 38.487 -0.984 0.000 0.979 218 N HN 0.264 nan 8.380 nan 0.000 0.431 219 I N 1.403 121.840 120.570 -0.222 0.000 2.252 219 I HA -0.204 3.966 4.170 0.002 0.000 0.245 219 I C 1.836 177.899 176.117 -0.090 0.000 1.102 219 I CA 0.712 61.944 61.300 -0.113 0.000 1.385 219 I CB -0.250 37.698 38.000 -0.086 0.000 1.064 219 I HN 0.029 nan 8.210 nan 0.000 0.414 220 N N 0.759 119.394 118.700 -0.108 0.000 2.149 220 N HA -0.187 4.554 4.740 0.002 0.000 0.188 220 N C 1.764 177.231 175.510 -0.071 0.000 1.019 220 N CA 1.257 54.256 53.050 -0.085 0.000 0.857 220 N CB -0.207 38.222 38.487 -0.095 0.000 0.997 220 N HN 0.357 nan 8.380 nan 0.000 0.426 221 E N 0.533 120.683 120.200 -0.084 0.000 2.152 221 E HA -0.067 4.283 4.350 0.002 0.000 0.192 221 E C 2.019 178.596 176.600 -0.040 0.000 0.983 221 E CA 0.175 56.538 56.400 -0.062 0.000 0.818 221 E CB -0.308 29.348 29.700 -0.072 0.000 0.758 221 E HN 0.235 nan 8.360 nan 0.000 0.467 222 L N 0.482 121.681 121.223 -0.040 0.000 2.141 222 L HA -0.098 4.243 4.340 0.002 0.000 0.209 222 L C 2.181 179.044 176.870 -0.013 0.000 1.094 222 L CA 0.962 55.792 54.840 -0.015 0.000 0.763 222 L CB -0.150 41.905 42.059 -0.005 0.000 0.908 222 L HN -0.115 nan 8.230 nan 0.000 0.437 223 V N -0.550 119.350 119.914 -0.023 0.000 2.427 223 V HA -0.264 3.857 4.120 0.002 0.000 0.248 223 V C 2.482 178.568 176.094 -0.012 0.000 1.051 223 V CA 1.751 64.041 62.300 -0.017 0.000 1.048 223 V CB -0.598 31.211 31.823 -0.024 0.000 0.666 223 V HN 0.433 nan 8.190 nan 0.000 0.456 224 K N -0.179 120.211 120.400 -0.018 0.000 2.147 224 K HA -0.188 4.133 4.320 0.002 0.000 0.205 224 K C 2.120 178.717 176.600 -0.005 0.000 1.049 224 K CA 1.606 57.886 56.287 -0.013 0.000 0.936 224 K CB -0.105 32.383 32.500 -0.019 0.000 0.722 224 K HN 0.585 nan 8.250 nan 0.000 0.446 225 E N -0.255 119.943 120.200 -0.004 0.000 2.033 225 E HA -0.071 4.280 4.350 0.002 0.000 0.189 225 E C 1.372 177.977 176.600 0.009 0.000 0.979 225 E CA 1.145 57.547 56.400 0.003 0.000 0.802 225 E CB 0.151 29.854 29.700 0.006 0.000 0.763 225 E HN 0.277 nan 8.360 nan 0.000 0.449 226 A N 0.785 123.611 122.820 0.009 0.000 2.551 226 A HA 0.328 4.649 4.320 0.002 0.000 0.252 226 A C 0.839 178.433 177.584 0.016 0.000 1.199 226 A CA 0.111 52.157 52.037 0.015 0.000 0.972 226 A CB 0.639 19.650 19.000 0.019 0.000 1.153 226 A HN 0.170 nan 8.150 nan 0.000 0.559 227 G N 0.781 109.587 108.800 0.011 0.000 2.398 227 G HA2 0.374 4.335 3.960 0.002 0.000 0.246 227 G HA3 0.374 4.335 3.960 0.002 0.000 0.246 227 G C -0.093 174.824 174.900 0.028 0.000 1.289 227 G CA -0.197 44.911 45.100 0.013 0.000 0.869 227 G HN 0.410 nan 8.290 nan 0.000 0.543 228 K N 2.946 123.371 120.400 0.041 0.000 2.295 228 K HA 0.188 4.509 4.320 0.002 0.000 0.270 228 K C -1.897 174.754 176.600 0.084 0.000 1.011 228 K CA -1.107 55.222 56.287 0.070 0.000 0.953 228 K CB 0.808 33.368 32.500 0.099 0.000 0.956 228 K HN 0.365 nan 8.250 nan 0.000 0.477 229 P HA -0.018 nan 4.420 nan 0.000 0.265 229 P C -0.439 176.958 177.300 0.163 0.000 1.193 229 P CA -0.198 62.963 63.100 0.101 0.000 0.765 229 P CB 0.535 32.288 31.700 0.089 0.000 0.823 230 R N 1.628 122.206 120.500 0.131 0.000 2.585 230 R HA -0.015 4.326 4.340 0.002 0.000 0.275 230 R C 0.238 176.719 176.300 0.301 0.000 1.018 230 R CA -0.216 55.978 56.100 0.158 0.000 1.072 230 R CB -0.794 29.557 30.300 0.086 0.000 0.953 230 R HN 0.536 nan 8.270 nan 0.000 0.419 231 W N 1.255 122.586 121.300 0.053 0.000 2.257 231 W HA 0.010 4.671 4.660 0.002 0.000 0.337 231 W C 0.924 177.531 176.519 0.148 0.000 1.321 231 W CA -0.692 56.714 57.345 0.102 0.000 1.267 231 W CB -0.083 29.449 29.460 0.120 0.000 1.187 231 W HN 0.576 nan 8.180 nan 0.000 0.565 232 D N 3.366 123.948 120.400 0.304 0.000 2.498 232 D HA 0.051 4.692 4.640 0.002 0.000 0.229 232 D C -1.048 175.440 176.300 0.313 0.000 1.188 232 D CA -0.009 54.127 54.000 0.227 0.000 1.028 232 D CB -0.495 40.371 40.800 0.110 0.000 1.087 232 D HN 0.296 nan 8.370 nan 0.000 0.510 233 W N 3.621 125.023 121.300 0.170 0.000 2.785 233 W HA 0.408 5.069 4.660 0.002 0.000 0.333 233 W C -1.419 175.177 176.519 0.129 0.000 1.062 233 W CA -0.627 56.832 57.345 0.191 0.000 1.233 233 W CB 1.281 30.934 29.460 0.323 0.000 1.413 233 W HN 0.034 nan 8.180 nan 0.000 0.489 234 Q N 5.934 125.225 119.800 -0.848 0.000 2.397 234 Q HA 0.435 4.776 4.340 0.002 0.000 0.275 234 Q C -2.384 172.711 176.000 -1.509 0.000 1.090 234 Q CA -1.998 53.273 55.803 -0.888 0.000 0.809 234 Q CB 1.886 30.385 28.738 -0.398 0.000 1.362 234 Q HN 0.358 nan 8.270 nan 0.000 0.431 235 P HA 0.079 nan 4.420 nan 0.000 0.274 235 P C -0.411 176.706 177.300 -0.305 0.000 1.237 235 P CA -0.295 62.478 63.100 -0.544 0.000 0.793 235 P CB 0.789 32.398 31.700 -0.150 0.000 0.977 236 E N 1.638 121.743 120.200 -0.159 0.000 2.465 236 E HA 0.104 4.455 4.350 0.002 0.000 0.260 236 E C -1.777 174.780 176.600 -0.072 0.000 0.980 236 E CA -0.954 55.387 56.400 -0.098 0.000 0.927 236 E CB -0.876 28.801 29.700 -0.039 0.000 0.934 236 E HN 0.364 nan 8.360 nan 0.000 0.459 237 P HA 0.006 nan 4.420 nan 0.000 0.269 237 P C -0.470 176.815 177.300 -0.025 0.000 1.215 237 P CA -0.320 62.751 63.100 -0.048 0.000 0.780 237 P CB 0.439 32.111 31.700 -0.045 0.000 0.898 238 V N 3.116 123.020 119.914 -0.016 0.000 2.485 238 V HA -0.009 4.112 4.120 0.002 0.000 0.287 238 V C 0.906 176.998 176.094 -0.004 0.000 1.022 238 V CA 0.229 62.527 62.300 -0.004 0.000 1.067 238 V CB -0.427 31.396 31.823 -0.000 0.000 0.967 238 V HN 0.540 nan 8.190 nan 0.000 0.479 239 N N 4.366 123.066 118.700 0.001 0.000 2.678 239 N HA 0.159 4.899 4.740 0.002 0.000 0.231 239 N C 1.034 176.547 175.510 0.005 0.000 1.038 239 N CA -0.174 52.877 53.050 0.001 0.000 0.932 239 N CB 0.769 39.258 38.487 0.003 0.000 1.176 239 N HN 0.676 nan 8.380 nan 0.000 0.511 240 E N 1.397 121.599 120.200 0.003 0.000 2.153 240 E HA -0.157 4.194 4.350 0.002 0.000 0.194 240 E C 1.337 177.941 176.600 0.006 0.000 0.988 240 E CA 1.212 57.615 56.400 0.005 0.000 0.811 240 E CB 0.165 29.866 29.700 0.003 0.000 0.746 240 E HN 0.676 nan 8.360 nan 0.000 0.466 241 A N 1.011 123.834 122.820 0.005 0.000 1.929 241 A HA -0.117 4.204 4.320 0.002 0.000 0.216 241 A C 2.110 179.699 177.584 0.008 0.000 1.176 241 A CA 0.755 52.795 52.037 0.006 0.000 0.628 241 A CB -0.332 18.671 19.000 0.004 0.000 0.816 241 A HN 0.191 nan 8.150 nan 0.000 0.444 242 L N 0.238 121.467 121.223 0.009 0.000 2.156 242 L HA -0.073 4.268 4.340 0.002 0.000 0.208 242 L C 1.754 178.632 176.870 0.015 0.000 1.095 242 L CA 1.769 56.616 54.840 0.012 0.000 0.770 242 L CB -0.708 41.358 42.059 0.012 0.000 0.914 242 L HN 0.290 nan 8.230 nan 0.000 0.439 243 N N 0.259 118.968 118.700 0.015 0.000 2.120 243 N HA -0.139 4.602 4.740 0.002 0.000 0.188 243 N C 1.845 177.365 175.510 0.016 0.000 1.024 243 N CA 1.617 54.677 53.050 0.017 0.000 0.852 243 N CB -0.524 37.973 38.487 0.016 0.000 1.003 243 N HN 0.483 nan 8.380 nan 0.000 0.424 244 A N 1.027 123.855 122.820 0.013 0.000 1.969 244 A HA -0.060 4.261 4.320 0.002 0.000 0.218 244 A C 2.233 179.825 177.584 0.013 0.000 1.169 244 A CA 1.044 53.088 52.037 0.012 0.000 0.635 244 A CB -0.312 18.693 19.000 0.009 0.000 0.810 244 A HN 0.211 nan 8.150 nan 0.000 0.445 245 R N -0.783 119.725 120.500 0.013 0.000 2.092 245 R HA -0.048 4.293 4.340 0.002 0.000 0.231 245 R C 1.988 178.299 176.300 0.017 0.000 1.119 245 R CA 1.380 57.488 56.100 0.014 0.000 0.970 245 R CB -0.401 29.907 30.300 0.013 0.000 0.864 245 R HN 0.389 nan 8.270 nan 0.000 0.440 246 V N 0.776 120.701 119.914 0.020 0.000 2.358 246 V HA -0.183 3.938 4.120 0.002 0.000 0.246 246 V C 2.370 178.478 176.094 0.025 0.000 1.047 246 V CA 1.892 64.206 62.300 0.024 0.000 1.035 246 V CB -0.593 31.247 31.823 0.028 0.000 0.658 246 V HN 0.387 nan 8.190 nan 0.000 0.452 247 A N 0.111 122.945 122.820 0.022 0.000 1.933 247 A HA -0.087 4.234 4.320 0.002 0.000 0.218 247 A C 2.372 179.968 177.584 0.020 0.000 1.175 247 A CA 1.910 53.960 52.037 0.021 0.000 0.628 247 A CB -0.668 18.342 19.000 0.017 0.000 0.814 247 A HN 0.567 nan 8.150 nan 0.000 0.444 248 A N -0.787 122.043 122.820 0.018 0.000 2.015 248 A HA 0.109 4.430 4.320 0.002 0.000 0.219 248 A C 2.011 179.606 177.584 0.018 0.000 1.163 248 A CA 1.312 53.359 52.037 0.016 0.000 0.646 248 A CB -0.355 18.654 19.000 0.014 0.000 0.806 248 A HN 0.472 nan 8.150 nan 0.000 0.448 249 L N -2.499 118.736 121.223 0.020 0.000 2.463 249 L HA 0.185 4.526 4.340 0.002 0.000 0.219 249 L C 2.402 179.288 176.870 0.027 0.000 1.088 249 L CA 0.800 55.653 54.840 0.022 0.000 0.849 249 L CB 0.073 42.145 42.059 0.021 0.000 1.012 249 L HN 0.403 nan 8.230 nan 0.000 0.468 250 A N -1.030 121.808 122.820 0.030 0.000 2.066 250 A HA 0.016 4.337 4.320 0.002 0.000 0.198 250 A C 1.928 179.539 177.584 0.044 0.000 1.405 250 A CA 0.100 52.161 52.037 0.039 0.000 0.973 250 A CB 0.092 19.118 19.000 0.044 0.000 1.026 250 A HN 0.200 nan 8.150 nan 0.000 0.474 251 E N 0.769 120.991 120.200 0.037 0.000 2.049 251 E HA -0.202 4.149 4.350 0.002 0.000 0.198 251 E C 2.041 178.666 176.600 0.042 0.000 1.007 251 E CA 1.624 58.046 56.400 0.037 0.000 0.809 251 E CB -0.221 29.494 29.700 0.025 0.000 0.749 251 E HN 0.521 nan 8.360 nan 0.000 0.450 252 A N 0.846 123.687 122.820 0.035 0.000 1.933 252 A HA -0.163 4.158 4.320 0.002 0.000 0.218 252 A C 2.143 179.752 177.584 0.043 0.000 1.175 252 A CA 1.475 53.533 52.037 0.035 0.000 0.628 252 A CB -0.415 18.601 19.000 0.026 0.000 0.814 252 A HN 0.198 nan 8.150 nan 0.000 0.444 253 R N -0.760 119.767 120.500 0.044 0.000 2.090 253 R HA 0.074 4.415 4.340 0.002 0.000 0.228 253 R C 1.931 178.271 176.300 0.066 0.000 1.110 253 R CA 1.218 57.345 56.100 0.045 0.000 0.973 253 R CB -0.407 29.915 30.300 0.038 0.000 0.869 253 R HN 0.472 nan 8.270 nan 0.000 0.440 254 L N 0.217 121.495 121.223 0.091 0.000 2.217 254 L HA -0.089 4.252 4.340 0.002 0.000 0.211 254 L C 2.209 179.214 176.870 0.224 0.000 1.107 254 L CA 0.884 55.823 54.840 0.164 0.000 0.783 254 L CB -0.154 42.009 42.059 0.174 0.000 0.919 254 L HN 0.123 nan 8.230 nan 0.000 0.442 255 S N -0.383 115.398 115.700 0.135 0.000 2.383 255 S HA -0.160 4.311 4.470 0.002 0.000 0.227 255 S C 1.441 176.112 174.600 0.118 0.000 1.026 255 S CA 1.226 59.496 58.200 0.118 0.000 0.981 255 S CB -0.178 63.060 63.200 0.064 0.000 0.818 255 S HN 0.435 nan 8.310 nan 0.000 0.472 256 D N 1.628 122.079 120.400 0.085 0.000 2.162 256 D HA 0.123 4.764 4.640 0.002 0.000 0.203 256 D C 2.086 178.417 176.300 0.051 0.000 0.967 256 D CA 0.971 55.007 54.000 0.059 0.000 0.840 256 D CB -0.420 40.403 40.800 0.038 0.000 0.972 256 D HN 0.363 nan 8.370 nan 0.000 0.482 257 A N -0.005 122.842 122.820 0.046 0.000 1.972 257 A HA -0.181 4.140 4.320 0.002 0.000 0.219 257 A C 1.463 178.978 177.584 -0.114 0.000 1.169 257 A CA 0.945 52.956 52.037 -0.043 0.000 0.635 257 A CB -0.856 18.095 19.000 -0.082 0.000 0.810 257 A HN 0.255 nan 8.150 nan 0.000 0.446 258 Y N -0.686 119.638 120.300 0.040 0.000 2.462 258 Y HA 0.163 4.714 4.550 0.001 0.000 0.293 258 Y C 2.102 178.018 175.900 0.027 0.000 1.195 258 Y CA 0.348 58.473 58.100 0.041 0.000 1.276 258 Y CB 0.021 38.505 38.460 0.039 0.000 1.082 258 Y HN 0.236 nan 8.280 nan 0.000 0.514 259 R N -0.450 120.113 120.500 0.106 0.000 2.334 259 R HA 0.231 4.572 4.340 0.002 0.000 0.212 259 R C -0.054 176.263 176.300 0.028 0.000 0.897 259 R CA -0.035 56.104 56.100 0.065 0.000 1.056 259 R CB 0.358 30.688 30.300 0.050 0.000 1.046 259 R HN 0.192 nan 8.270 nan 0.000 0.513 260 I N 1.691 122.262 120.570 0.002 0.000 2.452 260 I HA -0.059 4.112 4.170 0.002 0.000 0.287 260 I C 1.797 177.898 176.117 -0.026 0.000 1.079 260 I CA 0.041 61.328 61.300 -0.022 0.000 1.387 260 I CB 1.590 39.562 38.000 -0.047 0.000 1.404 260 I HN 0.169 nan 8.210 nan 0.000 0.522 261 T N 0.654 115.195 114.554 -0.021 0.000 2.851 261 T HA -0.101 4.250 4.350 0.002 0.000 0.262 261 T C 0.698 175.368 174.700 -0.049 0.000 1.043 261 T CA 0.186 62.274 62.100 -0.021 0.000 1.140 261 T CB -0.286 68.574 68.868 -0.014 0.000 0.872 261 T HN 0.576 nan 8.240 nan 0.000 0.446 262 D N 1.427 121.792 120.400 -0.057 0.000 2.434 262 D HA 0.112 4.753 4.640 0.002 0.000 0.252 262 D C 1.233 177.452 176.300 -0.135 0.000 1.185 262 D CA 0.009 53.962 54.000 -0.078 0.000 0.886 262 D CB 0.867 41.631 40.800 -0.059 0.000 1.148 262 D HN 0.274 nan 8.370 nan 0.000 0.483 263 K N 2.659 122.946 120.400 -0.188 0.000 2.032 263 K HA -0.252 4.068 4.320 0.002 0.000 0.209 263 K C 1.581 177.937 176.600 -0.407 0.000 1.048 263 K CA 1.439 57.496 56.287 -0.383 0.000 0.927 263 K CB 0.093 32.367 32.500 -0.377 0.000 0.712 263 K HN 0.608 nan 8.250 nan 0.000 0.441 264 Q N 0.167 119.844 119.800 -0.206 0.000 2.124 264 Q HA -0.171 4.170 4.340 0.002 0.000 0.202 264 Q C 1.949 177.922 176.000 -0.044 0.000 0.977 264 Q CA 1.732 57.478 55.803 -0.094 0.000 0.850 264 Q CB 0.033 28.745 28.738 -0.043 0.000 0.901 264 Q HN 0.430 nan 8.270 nan 0.000 0.429 265 E N 0.288 120.452 120.200 -0.059 0.000 2.106 265 E HA -0.167 4.183 4.350 0.002 0.000 0.192 265 E C 1.991 178.572 176.600 -0.033 0.000 0.984 265 E CA 0.616 56.995 56.400 -0.035 0.000 0.806 265 E CB 0.004 29.682 29.700 -0.038 0.000 0.750 265 E HN 0.178 nan 8.360 nan 0.000 0.458 266 R N -0.155 120.303 120.500 -0.071 0.000 2.062 266 R HA -0.138 4.203 4.340 0.002 0.000 0.229 266 R C 1.888 178.224 176.300 0.060 0.000 1.128 266 R CA 1.150 57.207 56.100 -0.071 0.000 0.960 266 R CB -0.093 30.123 30.300 -0.140 0.000 0.855 266 R HN 0.156 nan 8.270 nan 0.000 0.432 267 Y N 0.392 120.646 120.300 -0.077 0.000 2.242 267 Y HA -0.002 4.549 4.550 0.001 0.000 0.291 267 Y C 2.389 178.270 175.900 -0.032 0.000 1.137 267 Y CA 0.587 58.660 58.100 -0.045 0.000 1.181 267 Y CB -0.955 37.505 38.460 -0.001 0.000 0.989 267 Y HN 0.230 nan 8.280 nan 0.000 0.527 268 A N -0.291 122.613 122.820 0.141 0.000 1.902 268 A HA -0.264 4.057 4.320 0.002 0.000 0.217 268 A C 2.221 179.828 177.584 0.039 0.000 1.181 268 A CA 2.003 54.083 52.037 0.071 0.000 0.623 268 A CB -0.661 18.366 19.000 0.046 0.000 0.818 268 A HN 0.397 nan 8.150 nan 0.000 0.443 269 Q N -0.185 119.629 119.800 0.023 0.000 2.083 269 Q HA -0.065 4.276 4.340 0.002 0.000 0.198 269 Q C 1.844 177.843 176.000 -0.002 0.000 0.969 269 Q CA 2.014 57.818 55.803 0.002 0.000 0.838 269 Q CB -0.616 28.111 28.738 -0.018 0.000 0.900 269 Q HN 0.302 nan 8.270 nan 0.000 0.436 270 V N 1.130 121.035 119.914 -0.015 0.000 2.332 270 V HA -0.256 3.865 4.120 0.002 0.000 0.248 270 V C 1.934 178.035 176.094 0.012 0.000 1.055 270 V CA 2.170 64.461 62.300 -0.015 0.000 1.038 270 V CB -0.727 31.066 31.823 -0.051 0.000 0.651 270 V HN 0.509 nan 8.190 nan 0.000 0.450 271 D N -0.322 120.086 120.400 0.014 0.000 2.117 271 D HA -0.144 4.497 4.640 0.002 0.000 0.197 271 D C 2.019 178.330 176.300 0.019 0.000 0.987 271 D CA 1.323 55.332 54.000 0.015 0.000 0.829 271 D CB -0.026 40.785 40.800 0.018 0.000 0.961 271 D HN 0.212 nan 8.370 nan 0.000 0.460 272 V N 0.481 120.406 119.914 0.019 0.000 2.295 272 V HA -0.223 3.898 4.120 0.002 0.000 0.246 272 V C 2.492 178.598 176.094 0.020 0.000 1.049 272 V CA 1.420 63.730 62.300 0.018 0.000 1.024 272 V CB -0.426 31.406 31.823 0.016 0.000 0.648 272 V HN 0.312 nan 8.190 nan 0.000 0.447 273 I N -0.502 120.081 120.570 0.022 0.000 2.179 273 I HA -0.265 3.906 4.170 0.002 0.000 0.242 273 I C 2.553 178.689 176.117 0.032 0.000 1.088 273 I CA 1.700 63.017 61.300 0.028 0.000 1.357 273 I CB -0.429 37.591 38.000 0.034 0.000 1.051 273 I HN 0.246 nan 8.210 nan 0.000 0.409 274 K N 0.320 120.740 120.400 0.034 0.000 2.057 274 K HA -0.098 4.222 4.320 0.002 0.000 0.206 274 K C 2.337 178.954 176.600 0.029 0.000 1.050 274 K CA 1.606 57.915 56.287 0.037 0.000 0.935 274 K CB -0.147 32.377 32.500 0.039 0.000 0.715 274 K HN 0.185 nan 8.250 nan 0.000 0.439 275 S N 1.277 116.991 115.700 0.024 0.000 2.368 275 S HA -0.140 4.330 4.470 0.002 0.000 0.225 275 S C 1.768 176.380 174.600 0.019 0.000 1.030 275 S CA 1.275 59.487 58.200 0.020 0.000 0.999 275 S CB -0.129 63.082 63.200 0.018 0.000 0.844 275 S HN 0.330 nan 8.310 nan 0.000 0.459 276 E N 0.447 120.659 120.200 0.020 0.000 2.107 276 E HA -0.067 4.284 4.350 0.002 0.000 0.191 276 E C 2.080 178.691 176.600 0.019 0.000 0.982 276 E CA 1.287 57.698 56.400 0.018 0.000 0.809 276 E CB -0.184 29.527 29.700 0.018 0.000 0.756 276 E HN 0.407 nan 8.360 nan 0.000 0.459 277 T N 1.318 115.886 114.554 0.023 0.000 2.737 277 T HA -0.098 4.253 4.350 0.002 0.000 0.265 277 T C 1.986 176.700 174.700 0.023 0.000 1.038 277 T CA 0.822 62.936 62.100 0.024 0.000 1.144 277 T CB -0.132 68.754 68.868 0.030 0.000 0.866 277 T HN 0.089 nan 8.240 nan 0.000 0.434 278 I N 1.358 121.942 120.570 0.023 0.000 2.252 278 I HA -0.152 4.019 4.170 0.002 0.000 0.245 278 I C 2.909 179.037 176.117 0.018 0.000 1.102 278 I CA 1.067 62.380 61.300 0.022 0.000 1.385 278 I CB -0.437 37.577 38.000 0.023 0.000 1.064 278 I HN 0.187 nan 8.210 nan 0.000 0.414 279 A N 0.280 123.110 122.820 0.017 0.000 1.933 279 A HA -0.192 4.129 4.320 0.002 0.000 0.218 279 A C 2.377 179.969 177.584 0.013 0.000 1.175 279 A CA 2.395 54.441 52.037 0.014 0.000 0.628 279 A CB -1.041 17.967 19.000 0.014 0.000 0.814 279 A HN 0.392 nan 8.150 nan 0.000 0.444 280 T N 0.398 114.960 114.554 0.014 0.000 2.737 280 T HA -0.062 4.289 4.350 0.002 0.000 0.265 280 T C 1.812 176.519 174.700 0.013 0.000 1.038 280 T CA 1.469 63.577 62.100 0.013 0.000 1.144 280 T CB -0.365 68.511 68.868 0.014 0.000 0.866 280 T HN 0.346 nan 8.240 nan 0.000 0.434 281 L N 0.371 121.603 121.223 0.014 0.000 2.141 281 L HA 0.037 4.378 4.340 0.002 0.000 0.209 281 L C 2.374 179.251 176.870 0.012 0.000 1.094 281 L CA 0.884 55.732 54.840 0.014 0.000 0.763 281 L CB -0.459 41.609 42.059 0.016 0.000 0.908 281 L HN 0.238 nan 8.230 nan 0.000 0.437 282 L N -0.802 120.428 121.223 0.013 0.000 2.217 282 L HA -0.108 4.233 4.340 0.002 0.000 0.211 282 L C 2.683 179.558 176.870 0.010 0.000 1.107 282 L CA 0.734 55.581 54.840 0.011 0.000 0.783 282 L CB -0.487 41.579 42.059 0.012 0.000 0.919 282 L HN 0.234 nan 8.230 nan 0.000 0.442 283 A N -0.218 122.608 122.820 0.010 0.000 1.970 283 A HA -0.132 4.189 4.320 0.002 0.000 0.216 283 A C 2.086 179.674 177.584 0.008 0.000 1.170 283 A CA 0.946 52.988 52.037 0.008 0.000 0.645 283 A CB -0.174 18.831 19.000 0.008 0.000 0.816 283 A HN 0.406 nan 8.150 nan 0.000 0.447 284 E N -0.881 119.324 120.200 0.008 0.000 2.158 284 E HA -0.059 4.292 4.350 0.002 0.000 0.191 284 E C -0.382 176.222 176.600 0.007 0.000 0.982 284 E CA 0.834 57.238 56.400 0.007 0.000 0.823 284 E CB 0.195 29.900 29.700 0.008 0.000 0.766 284 E HN 0.461 nan 8.360 nan 0.000 0.468 285 D N -0.639 119.765 120.400 0.007 0.000 2.591 285 D HA 0.069 4.710 4.640 0.002 0.000 0.222 285 D C -0.600 175.705 176.300 0.007 0.000 1.360 285 D CA -0.142 53.862 54.000 0.007 0.000 0.967 285 D CB 1.126 41.930 40.800 0.007 0.000 1.456 285 D HN -0.234 nan 8.370 nan 0.000 0.588 286 E N 0.509 120.713 120.200 0.006 0.000 2.427 286 E HA 0.013 4.364 4.350 0.002 0.000 0.196 286 E C 1.622 178.226 176.600 0.006 0.000 1.028 286 E CA 0.918 57.322 56.400 0.007 0.000 0.864 286 E CB 0.314 30.018 29.700 0.006 0.000 0.813 286 E HN 0.547 nan 8.360 nan 0.000 0.514 287 T N -1.795 112.762 114.554 0.006 0.000 3.086 287 T HA 0.194 4.545 4.350 0.002 0.000 0.250 287 T C 0.679 175.382 174.700 0.006 0.000 1.074 287 T CA -0.296 61.807 62.100 0.005 0.000 0.988 287 T CB -0.091 68.779 68.868 0.003 0.000 0.988 287 T HN -0.045 nan 8.240 nan 0.000 0.530 288 L N 2.684 123.911 121.223 0.008 0.000 2.455 288 L HA 0.240 4.581 4.340 0.002 0.000 0.272 288 L C 0.421 177.297 176.870 0.011 0.000 1.174 288 L CA -0.360 54.485 54.840 0.009 0.000 0.869 288 L CB 0.214 42.280 42.059 0.011 0.000 1.130 288 L HN 0.191 nan 8.230 nan 0.000 0.474 289 D N 2.226 122.633 120.400 0.011 0.000 2.383 289 D HA -0.039 4.602 4.640 0.002 0.000 0.252 289 D C 0.900 177.210 176.300 0.017 0.000 1.166 289 D CA 0.178 54.186 54.000 0.013 0.000 0.879 289 D CB 1.065 41.873 40.800 0.012 0.000 1.164 289 D HN 0.554 nan 8.370 nan 0.000 0.462 290 E N 2.858 123.068 120.200 0.018 0.000 2.072 290 E HA -0.208 4.143 4.350 0.002 0.000 0.191 290 E C 1.114 177.729 176.600 0.025 0.000 0.985 290 E CA 0.840 57.253 56.400 0.021 0.000 0.801 290 E CB 0.143 29.855 29.700 0.019 0.000 0.750 290 E HN 0.425 nan 8.360 nan 0.000 0.452 291 N N 0.829 119.544 118.700 0.025 0.000 2.149 291 N HA -0.195 4.546 4.740 0.002 0.000 0.188 291 N C 1.565 177.095 175.510 0.033 0.000 1.019 291 N CA 1.183 54.251 53.050 0.030 0.000 0.857 291 N CB -0.222 38.283 38.487 0.029 0.000 0.997 291 N HN 0.336 nan 8.380 nan 0.000 0.426 292 E N 0.501 120.719 120.200 0.030 0.000 2.072 292 E HA -0.078 4.273 4.350 0.002 0.000 0.191 292 E C 1.878 178.501 176.600 0.037 0.000 0.985 292 E CA 0.542 56.962 56.400 0.032 0.000 0.801 292 E CB 0.003 29.717 29.700 0.024 0.000 0.750 292 E HN 0.280 nan 8.360 nan 0.000 0.452 293 L N -0.095 121.149 121.223 0.034 0.000 2.083 293 L HA -0.097 4.244 4.340 0.002 0.000 0.209 293 L C 2.582 179.481 176.870 0.049 0.000 1.083 293 L CA 1.153 56.016 54.840 0.037 0.000 0.752 293 L CB -0.515 41.562 42.059 0.031 0.000 0.899 293 L HN 0.266 nan 8.230 nan 0.000 0.433 294 G N -0.600 108.229 108.800 0.049 0.000 2.422 294 G HA2 -0.199 3.762 3.960 0.002 0.000 0.218 294 G HA3 -0.199 3.762 3.960 0.002 0.000 0.218 294 G C 1.442 176.393 174.900 0.086 0.000 1.140 294 G CA 0.365 45.501 45.100 0.061 0.000 0.775 294 G HN 0.392 nan 8.290 nan 0.000 0.545 295 E N -0.100 120.145 120.200 0.074 0.000 2.107 295 E HA -0.013 4.338 4.350 0.002 0.000 0.191 295 E C 2.436 179.105 176.600 0.115 0.000 0.982 295 E CA 0.475 56.931 56.400 0.093 0.000 0.809 295 E CB -0.082 29.660 29.700 0.069 0.000 0.756 295 E HN 0.498 nan 8.360 nan 0.000 0.459 296 I N 0.759 121.378 120.570 0.082 0.000 2.353 296 I HA -0.240 3.930 4.170 0.002 0.000 0.248 296 I C 2.197 178.358 176.117 0.073 0.000 1.119 296 I CA 0.815 62.156 61.300 0.069 0.000 1.417 296 I CB -0.123 37.905 38.000 0.048 0.000 1.078 296 I HN 0.082 nan 8.210 nan 0.000 0.421 297 L N -0.062 121.212 121.223 0.084 0.000 2.083 297 L HA -0.249 4.092 4.340 0.002 0.000 0.209 297 L C 2.705 179.637 176.870 0.103 0.000 1.083 297 L CA 1.470 56.361 54.840 0.085 0.000 0.752 297 L CB -0.707 41.403 42.059 0.085 0.000 0.899 297 L HN 0.313 nan 8.230 nan 0.000 0.433 298 H N -0.232 118.864 119.070 0.043 0.000 2.389 298 H HA -0.087 4.470 4.556 0.001 0.000 0.299 298 H C 2.111 177.458 175.328 0.032 0.000 1.081 298 H CA 1.300 57.374 56.048 0.043 0.000 1.345 298 H CB 0.182 29.969 29.762 0.041 0.000 1.393 298 H HN 0.283 nan 8.280 nan 0.000 0.520 299 A N 0.297 123.152 122.820 0.058 0.000 1.969 299 A HA -0.059 4.262 4.320 0.002 0.000 0.218 299 A C 2.385 179.939 177.584 -0.049 0.000 1.169 299 A CA 1.394 53.434 52.037 0.005 0.000 0.635 299 A CB -0.597 18.436 19.000 0.054 0.000 0.810 299 A HN 0.507 nan 8.150 nan 0.000 0.445 300 I N -0.507 120.045 120.570 -0.031 0.000 2.233 300 I HA -0.225 3.946 4.170 0.002 0.000 0.243 300 I C 2.438 178.503 176.117 -0.087 0.000 1.093 300 I CA 1.415 62.695 61.300 -0.033 0.000 1.380 300 I CB -0.513 37.492 38.000 0.009 0.000 1.067 300 I HN 0.379 nan 8.210 nan 0.000 0.413 301 E N 1.035 121.168 120.200 -0.112 0.000 2.049 301 E HA -0.320 4.031 4.350 0.002 0.000 0.198 301 E C 2.153 178.528 176.600 -0.375 0.000 1.007 301 E CA 1.549 57.803 56.400 -0.244 0.000 0.809 301 E CB -0.181 29.424 29.700 -0.158 0.000 0.749 301 E HN 0.347 nan 8.360 nan 0.000 0.450 302 K N 0.756 120.959 120.400 -0.327 0.000 2.032 302 K HA -0.233 4.088 4.320 0.002 0.000 0.209 302 K C 2.060 178.557 176.600 -0.171 0.000 1.048 302 K CA 1.690 57.822 56.287 -0.260 0.000 0.927 302 K CB -0.078 32.285 32.500 -0.227 0.000 0.712 302 K HN -0.051 nan 8.250 nan 0.000 0.441 303 N N -0.097 118.525 118.700 -0.130 0.000 2.188 303 N HA -0.129 4.612 4.740 0.002 0.000 0.184 303 N C 1.529 176.983 175.510 -0.094 0.000 1.018 303 N CA 1.095 54.094 53.050 -0.084 0.000 0.858 303 N CB 0.051 38.507 38.487 -0.051 0.000 0.989 303 N HN -0.012 nan 8.380 nan 0.000 0.426 304 V N -0.380 119.457 119.914 -0.128 0.000 2.295 304 V HA -0.185 3.936 4.120 0.002 0.000 0.246 304 V C 2.204 178.213 176.094 -0.142 0.000 1.049 304 V CA 1.440 63.669 62.300 -0.118 0.000 1.024 304 V CB -0.451 31.302 31.823 -0.116 0.000 0.648 304 V HN 0.181 nan 8.190 nan 0.000 0.447 305 V N -0.332 119.437 119.914 -0.240 0.000 2.379 305 V HA -0.201 3.920 4.120 0.002 0.000 0.245 305 V C 2.535 178.568 176.094 -0.102 0.000 1.044 305 V CA 1.893 64.075 62.300 -0.196 0.000 1.036 305 V CB -0.776 30.873 31.823 -0.289 0.000 0.664 305 V HN 0.438 nan 8.190 nan 0.000 0.453 306 R N 0.907 121.350 120.500 -0.096 0.000 2.081 306 R HA -0.137 4.204 4.340 0.002 0.000 0.235 306 R C 2.594 178.872 176.300 -0.037 0.000 1.131 306 R CA 1.764 57.833 56.100 -0.052 0.000 0.960 306 R CB -0.502 29.771 30.300 -0.043 0.000 0.856 306 R HN 0.699 nan 8.270 nan 0.000 0.436 307 S N 0.378 116.052 115.700 -0.042 0.000 2.406 307 S HA -0.068 4.403 4.470 0.002 0.000 0.228 307 S C 1.901 176.486 174.600 -0.025 0.000 1.020 307 S CA 0.528 58.711 58.200 -0.029 0.000 0.965 307 S CB -0.088 63.095 63.200 -0.027 0.000 0.798 307 S HN 0.245 nan 8.310 nan 0.000 0.488 308 R N 0.518 121.001 120.500 -0.027 0.000 2.115 308 R HA 0.099 4.440 4.340 0.002 0.000 0.226 308 R C 2.155 178.445 176.300 -0.016 0.000 1.100 308 R CA 1.117 57.207 56.100 -0.017 0.000 0.980 308 R CB -0.509 29.784 30.300 -0.011 0.000 0.875 308 R HN 0.341 nan 8.270 nan 0.000 0.445 309 V N 1.240 121.142 119.914 -0.019 0.000 2.307 309 V HA -0.203 3.918 4.120 0.002 0.000 0.245 309 V C 2.165 178.246 176.094 -0.021 0.000 1.045 309 V CA 1.570 63.860 62.300 -0.016 0.000 1.024 309 V CB -0.313 31.503 31.823 -0.012 0.000 0.651 309 V HN 0.264 nan 8.190 nan 0.000 0.449 310 L N 0.230 121.440 121.223 -0.021 0.000 2.201 310 L HA -0.060 4.280 4.340 0.002 0.000 0.212 310 L C 2.396 179.247 176.870 -0.032 0.000 1.105 310 L CA 1.323 56.147 54.840 -0.027 0.000 0.775 310 L CB -0.572 41.476 42.059 -0.019 0.000 0.913 310 L HN 0.341 nan 8.230 nan 0.000 0.440 311 A N -0.503 122.301 122.820 -0.026 0.000 2.251 311 A HA 0.306 4.627 4.320 0.002 0.000 0.209 311 A C 1.710 179.279 177.584 -0.025 0.000 1.187 311 A CA 0.644 52.666 52.037 -0.024 0.000 0.823 311 A CB -0.409 18.580 19.000 -0.018 0.000 0.846 311 A HN 0.475 nan 8.150 nan 0.000 0.486 312 G N -0.344 108.439 108.800 -0.028 0.000 2.160 312 G HA2 -0.234 3.727 3.960 0.002 0.000 0.244 312 G HA3 -0.234 3.727 3.960 0.002 0.000 0.244 312 G C -0.147 174.741 174.900 -0.019 0.000 1.022 312 G CA 0.438 45.522 45.100 -0.028 0.000 0.741 312 G HN 0.629 nan 8.290 nan 0.000 0.508 313 E N 0.360 120.551 120.200 -0.014 0.000 2.318 313 E HA 0.445 4.796 4.350 0.002 0.000 0.265 313 E C -2.072 174.526 176.600 -0.004 0.000 1.069 313 E CA -1.951 54.444 56.400 -0.007 0.000 0.893 313 E CB 0.811 30.509 29.700 -0.003 0.000 1.076 313 E HN 0.126 nan 8.360 nan 0.000 0.414 314 P HA -0.031 nan 4.420 nan 0.000 0.265 314 P C -0.622 176.685 177.300 0.012 0.000 1.187 314 P CA 0.435 63.537 63.100 0.004 0.000 0.766 314 P CB 0.503 32.206 31.700 0.006 0.000 0.820 315 R N 1.863 122.370 120.500 0.012 0.000 2.822 315 R HA 0.153 4.494 4.340 0.002 0.000 0.277 315 R C 1.856 178.180 176.300 0.039 0.000 1.102 315 R CA -0.417 55.697 56.100 0.023 0.000 1.207 315 R CB -0.140 30.171 30.300 0.019 0.000 1.139 315 R HN 0.414 nan 8.270 nan 0.000 0.557 316 I N 0.920 121.528 120.570 0.062 0.000 2.181 316 I HA -0.348 3.823 4.170 0.002 0.000 0.247 316 I C 1.553 177.704 176.117 0.056 0.000 1.081 316 I CA 1.759 63.116 61.300 0.094 0.000 1.340 316 I CB -0.394 37.696 38.000 0.149 0.000 1.036 316 I HN 0.705 nan 8.210 nan 0.000 0.417 317 D N -0.079 120.343 120.400 0.036 0.000 2.328 317 D HA 0.111 4.752 4.640 0.002 0.000 0.221 317 D C 1.445 177.752 176.300 0.011 0.000 1.072 317 D CA 0.686 54.696 54.000 0.017 0.000 0.850 317 D CB 0.274 41.079 40.800 0.008 0.000 0.922 317 D HN 0.434 nan 8.370 nan 0.000 0.516 318 G N 0.470 109.279 108.800 0.015 0.000 2.195 318 G HA2 -0.298 3.663 3.960 0.002 0.000 0.246 318 G HA3 -0.298 3.663 3.960 0.002 0.000 0.246 318 G C 0.386 175.288 174.900 0.003 0.000 0.984 318 G CA -0.187 44.919 45.100 0.009 0.000 0.633 318 G HN 0.429 nan 8.290 nan 0.000 0.525 319 R N 0.703 121.205 120.500 0.003 0.000 2.641 319 R HA 0.429 4.770 4.340 0.002 0.000 0.269 319 R C 0.288 176.585 176.300 -0.005 0.000 1.074 319 R CA -0.273 55.825 56.100 -0.003 0.000 1.133 319 R CB 0.413 30.712 30.300 -0.001 0.000 1.029 319 R HN 0.274 nan 8.270 nan 0.000 0.488 320 E N 1.816 122.009 120.200 -0.012 0.000 2.312 320 E HA -0.005 4.346 4.350 0.002 0.000 0.259 320 E C 0.817 177.408 176.600 -0.016 0.000 1.122 320 E CA -0.196 56.195 56.400 -0.015 0.000 0.922 320 E CB 0.639 30.327 29.700 -0.021 0.000 1.109 320 E HN 0.498 nan 8.360 nan 0.000 0.442 321 K N 0.391 120.780 120.400 -0.018 0.000 2.218 321 K HA -0.190 4.131 4.320 0.002 0.000 0.205 321 K C 0.344 176.935 176.600 -0.016 0.000 1.046 321 K CA 1.993 58.270 56.287 -0.016 0.000 0.933 321 K CB -0.037 32.450 32.500 -0.021 0.000 0.728 321 K HN 0.284 nan 8.250 nan 0.000 0.454 322 D N -0.081 120.305 120.400 -0.023 0.000 2.440 322 D HA 0.103 4.744 4.640 0.002 0.000 0.216 322 D C 0.157 176.433 176.300 -0.039 0.000 1.150 322 D CA -0.236 53.748 54.000 -0.027 0.000 0.832 322 D CB -0.041 40.741 40.800 -0.030 0.000 0.992 322 D HN 0.159 nan 8.370 nan 0.000 0.502 323 M N 0.977 120.556 119.600 -0.036 0.000 2.211 323 M HA 0.247 4.728 4.480 0.002 0.000 0.356 323 M C -0.265 176.016 176.300 -0.032 0.000 1.216 323 M CA -0.443 54.827 55.300 -0.050 0.000 1.134 323 M CB 1.583 34.160 32.600 -0.039 0.000 1.564 323 M HN -0.168 nan 8.290 nan 0.000 0.463 324 I N 2.791 123.332 120.570 -0.050 0.000 2.488 324 I HA 0.379 4.550 4.170 0.002 0.000 0.299 324 I C 0.652 176.788 176.117 0.031 0.000 0.984 324 I CA -0.479 60.831 61.300 0.016 0.000 1.250 324 I CB 0.862 38.910 38.000 0.081 0.000 1.389 324 I HN 0.709 nan 8.210 nan 0.000 0.488 325 R N 2.070 122.597 120.500 0.045 0.000 2.801 325 R HA 0.313 4.654 4.340 0.002 0.000 0.273 325 R C 0.573 176.895 176.300 0.036 0.000 1.080 325 R CA -0.236 55.881 56.100 0.029 0.000 1.197 325 R CB 0.261 30.571 30.300 0.017 0.000 1.109 325 R HN 0.874 nan 8.270 nan 0.000 0.535 326 G N 1.057 109.863 108.800 0.010 0.000 2.414 326 G HA2 0.228 4.189 3.960 0.002 0.000 0.236 326 G HA3 0.228 4.189 3.960 0.002 0.000 0.236 326 G C -0.477 174.394 174.900 -0.047 0.000 1.293 326 G CA -0.346 44.754 45.100 -0.001 0.000 0.869 326 G HN 0.268 nan 8.290 nan 0.000 0.556 327 L N 1.879 123.069 121.223 -0.055 0.000 2.346 327 L HA 0.473 4.814 4.340 0.002 0.000 0.276 327 L C -0.393 176.388 176.870 -0.148 0.000 1.006 327 L CA -0.803 53.947 54.840 -0.150 0.000 0.817 327 L CB 2.278 44.273 42.059 -0.106 0.000 1.272 327 L HN 0.452 nan 8.230 nan 0.000 0.421 328 D N 2.445 122.706 120.400 -0.231 0.000 2.620 328 D HA 0.401 5.042 4.640 0.002 0.000 0.252 328 D C -1.630 174.578 176.300 -0.153 0.000 1.207 328 D CA -0.235 53.676 54.000 -0.148 0.000 0.884 328 D CB 2.618 43.351 40.800 -0.112 0.000 1.262 328 D HN 0.139 nan 8.370 nan 0.000 0.552 329 V N 4.856 124.745 119.914 -0.043 0.000 2.409 329 V HA 0.542 4.663 4.120 0.002 0.000 0.291 329 V C 0.041 176.165 176.094 0.050 0.000 1.020 329 V CA -0.564 61.772 62.300 0.059 0.000 0.848 329 V CB 1.727 33.626 31.823 0.126 0.000 0.990 329 V HN 0.440 nan 8.190 nan 0.000 0.430 330 R N 2.048 122.588 120.500 0.067 0.000 2.744 330 R HA 0.776 5.117 4.340 0.002 0.000 0.279 330 R C -0.841 175.492 176.300 0.054 0.000 0.977 330 R CA -0.556 55.571 56.100 0.045 0.000 0.906 330 R CB 2.505 32.822 30.300 0.028 0.000 1.197 330 R HN 0.666 nan 8.270 nan 0.000 0.463 331 T N -0.303 114.273 114.554 0.037 0.000 2.906 331 T HA 0.514 4.865 4.350 0.002 0.000 0.295 331 T C -0.176 174.538 174.700 0.022 0.000 1.061 331 T CA 0.263 62.382 62.100 0.032 0.000 1.000 331 T CB 1.501 70.386 68.868 0.028 0.000 1.103 331 T HN 0.798 nan 8.240 nan 0.000 0.486 332 G N 1.870 110.683 108.800 0.021 0.000 2.351 332 G HA2 -0.167 3.794 3.960 0.002 0.000 0.297 332 G HA3 -0.167 3.794 3.960 0.002 0.000 0.297 332 G C 0.581 175.490 174.900 0.015 0.000 1.054 332 G CA 0.382 45.492 45.100 0.017 0.000 1.123 332 G HN 0.735 nan 8.290 nan 0.000 0.512 333 V N -0.142 119.781 119.914 0.016 0.000 3.307 333 V HA 0.295 4.416 4.120 0.002 0.000 0.253 333 V C 1.364 177.463 176.094 0.008 0.000 1.149 333 V CA 1.151 63.459 62.300 0.013 0.000 1.112 333 V CB 0.099 31.932 31.823 0.017 0.000 0.777 333 V HN 0.484 nan 8.190 nan 0.000 0.464 334 L N 1.303 122.531 121.223 0.008 0.000 2.341 334 L HA 0.401 4.741 4.340 0.002 0.000 0.278 334 L C -1.277 175.596 176.870 0.004 0.000 1.005 334 L CA -1.432 53.410 54.840 0.003 0.000 0.818 334 L CB 1.844 43.901 42.059 -0.002 0.000 1.259 334 L HN -0.004 nan 8.230 nan 0.000 0.418 335 P HA -0.034 nan 4.420 nan 0.000 0.220 335 P C 0.919 178.225 177.300 0.010 0.000 1.152 335 P CA 0.851 63.955 63.100 0.006 0.000 0.812 335 P CB 0.395 32.097 31.700 0.003 0.000 0.792 336 R N -1.091 119.410 120.500 0.003 0.000 2.397 336 R HA 0.239 4.580 4.340 0.002 0.000 0.241 336 R C 0.747 177.039 176.300 -0.013 0.000 0.914 336 R CA 0.119 56.221 56.100 0.003 0.000 1.071 336 R CB -0.496 29.800 30.300 -0.006 0.000 1.116 336 R HN 0.148 nan 8.270 nan 0.000 0.524 337 T N -0.677 113.866 114.554 -0.019 0.000 2.913 337 T HA 0.153 4.504 4.350 0.002 0.000 0.287 337 T C 1.258 175.979 174.700 0.034 0.000 1.008 337 T CA -0.225 61.841 62.100 -0.056 0.000 1.067 337 T CB 1.029 69.871 68.868 -0.044 0.000 0.996 337 T HN 0.310 nan 8.240 nan 0.000 0.513 338 H N 1.613 120.680 119.070 -0.004 0.000 2.357 338 H HA 0.189 4.746 4.556 0.001 0.000 0.301 338 H C 1.161 176.484 175.328 -0.009 0.000 1.082 338 H CA 0.140 56.183 56.048 -0.007 0.000 1.342 338 H CB 0.309 30.067 29.762 -0.006 0.000 1.389 338 H HN 0.615 nan 8.280 nan 0.000 0.511 339 G N -0.198 108.668 108.800 0.109 0.000 2.753 339 G HA2 0.430 4.391 3.960 0.002 0.000 0.295 339 G HA3 0.430 4.391 3.960 0.002 0.000 0.295 339 G C -1.266 173.650 174.900 0.027 0.000 1.437 339 G CA -0.442 44.689 45.100 0.053 0.000 1.094 339 G HN 0.255 nan 8.290 nan 0.000 0.540 340 S N -0.096 115.618 115.700 0.022 0.000 2.569 340 S HA 0.949 5.420 4.470 0.002 0.000 0.280 340 S C -0.435 174.181 174.600 0.028 0.000 1.111 340 S CA -0.377 57.834 58.200 0.018 0.000 0.887 340 S CB 2.350 65.558 63.200 0.014 0.000 1.095 340 S HN 2.190 nan 8.310 nan 0.000 0.476 341 A N 0.961 123.804 122.820 0.038 0.000 2.574 341 A HA 0.772 5.093 4.320 0.002 0.000 0.297 341 A C -1.802 175.831 177.584 0.081 0.000 1.062 341 A CA -0.652 51.421 52.037 0.061 0.000 0.686 341 A CB 1.575 20.617 19.000 0.070 0.000 1.285 341 A HN 1.141 nan 8.150 nan 0.000 0.403 342 L N 1.918 123.197 121.223 0.093 0.000 2.316 342 L HA 0.740 5.080 4.340 0.002 0.000 0.280 342 L C -1.488 175.473 176.870 0.153 0.000 1.006 342 L CA -0.358 54.542 54.840 0.101 0.000 0.836 342 L CB 0.811 42.901 42.059 0.052 0.000 1.221 342 L HN 0.625 nan 8.230 nan 0.000 0.418 343 F N 3.978 123.944 119.950 0.027 0.000 2.426 343 F HA 0.678 5.207 4.527 0.004 0.000 0.348 343 F C -0.393 175.426 175.800 0.031 0.000 1.124 343 F CA -0.122 57.896 58.000 0.030 0.000 1.008 343 F CB 1.450 40.475 39.000 0.043 0.000 1.139 343 F HN 0.458 nan 8.300 nan 0.000 0.452 344 T N 6.774 120.971 114.554 -0.594 0.000 2.809 344 T HA 0.402 4.753 4.350 0.002 0.000 0.284 344 T C -0.643 173.699 174.700 -0.596 0.000 0.992 344 T CA -0.724 61.124 62.100 -0.421 0.000 0.957 344 T CB 1.281 70.025 68.868 -0.207 0.000 0.942 344 T HN 0.549 nan 8.240 nan 0.000 0.439 345 R N 2.446 122.724 120.500 -0.369 0.000 2.407 345 R HA 0.512 4.853 4.340 0.002 0.000 0.298 345 R C 0.948 177.203 176.300 -0.074 0.000 1.166 345 R CA 0.376 56.351 56.100 -0.208 0.000 1.006 345 R CB 0.353 30.604 30.300 -0.081 0.000 1.145 345 R HN 1.028 nan 8.270 nan 0.000 0.538 346 G N 3.539 112.298 108.800 -0.069 0.000 2.574 346 G HA2 -0.373 3.588 3.960 0.002 0.000 0.301 346 G HA3 -0.373 3.588 3.960 0.002 0.000 0.301 346 G C 0.257 175.135 174.900 -0.036 0.000 1.166 346 G CA 0.463 45.541 45.100 -0.036 0.000 0.971 346 G HN 0.659 nan 8.290 nan 0.000 0.542 347 E N 1.038 121.228 120.200 -0.018 0.000 2.496 347 E HA 0.362 4.713 4.350 0.002 0.000 0.200 347 E C -0.275 176.330 176.600 0.008 0.000 1.016 347 E CA 0.285 56.676 56.400 -0.014 0.000 0.962 347 E CB 0.707 30.392 29.700 -0.024 0.000 1.071 347 E HN 0.320 nan 8.360 nan 0.000 0.457 348 T N 0.909 115.473 114.554 0.017 0.000 2.807 348 T HA 0.367 4.718 4.350 0.002 0.000 0.279 348 T C -0.698 174.025 174.700 0.039 0.000 0.993 348 T CA -0.590 61.542 62.100 0.053 0.000 0.970 348 T CB 1.992 70.919 68.868 0.098 0.000 0.950 348 T HN -0.016 nan 8.240 nan 0.000 0.441 349 Q N 1.294 121.126 119.800 0.054 0.000 2.315 349 Q HA 0.679 5.020 4.340 0.002 0.000 0.273 349 Q C -2.027 174.024 176.000 0.086 0.000 1.053 349 Q CA -0.867 54.969 55.803 0.054 0.000 0.817 349 Q CB 1.983 30.730 28.738 0.016 0.000 1.326 349 Q HN 0.810 nan 8.270 nan 0.000 0.423 350 A N 3.538 126.443 122.820 0.142 0.000 2.353 350 A HA 0.530 4.851 4.320 0.002 0.000 0.299 350 A C -1.684 175.970 177.584 0.116 0.000 1.089 350 A CA -0.569 51.545 52.037 0.130 0.000 0.736 350 A CB 1.080 20.195 19.000 0.192 0.000 1.195 350 A HN 0.630 nan 8.150 nan 0.000 0.447 351 L N 4.218 125.480 121.223 0.065 0.000 2.268 351 L HA 0.589 4.930 4.340 0.002 0.000 0.289 351 L C -0.867 176.027 176.870 0.040 0.000 1.064 351 L CA 0.145 55.017 54.840 0.053 0.000 0.824 351 L CB 0.818 42.899 42.059 0.037 0.000 1.202 351 L HN 0.411 nan 8.230 nan 0.000 0.433 352 V N 3.712 123.653 119.914 0.045 0.000 2.555 352 V HA 0.699 4.820 4.120 0.002 0.000 0.302 352 V C 0.196 176.286 176.094 -0.006 0.000 1.038 352 V CA -0.351 61.958 62.300 0.016 0.000 0.887 352 V CB 1.876 33.721 31.823 0.036 0.000 0.991 352 V HN 0.842 nan 8.190 nan 0.000 0.434 353 T N 1.152 115.681 114.554 -0.041 0.000 2.908 353 T HA 0.899 5.250 4.350 0.002 0.000 0.290 353 T C -0.484 174.181 174.700 -0.058 0.000 1.034 353 T CA -0.668 61.409 62.100 -0.038 0.000 1.010 353 T CB 2.127 70.971 68.868 -0.040 0.000 1.068 353 T HN 1.102 nan 8.240 nan 0.000 0.481 354 A N 1.632 124.440 122.820 -0.019 0.000 2.355 354 A HA 0.794 5.115 4.320 0.002 0.000 0.317 354 A C -0.190 177.426 177.584 0.054 0.000 1.094 354 A CA -0.824 51.220 52.037 0.011 0.000 0.764 354 A CB 1.346 20.368 19.000 0.037 0.000 1.230 354 A HN 0.914 nan 8.150 nan 0.000 0.448 355 T N 2.587 117.185 114.554 0.073 0.000 2.886 355 T HA 0.569 4.919 4.350 0.002 0.000 0.292 355 T C -0.536 174.308 174.700 0.241 0.000 1.012 355 T CA -0.294 61.883 62.100 0.127 0.000 0.982 355 T CB 0.984 69.833 68.868 -0.031 0.000 1.018 355 T HN 0.490 nan 8.240 nan 0.000 0.451 356 L N 2.063 123.544 121.223 0.431 0.000 2.322 356 L HA 0.869 5.210 4.340 0.002 0.000 0.279 356 L C 0.796 177.780 176.870 0.191 0.000 1.036 356 L CA -0.523 54.442 54.840 0.207 0.000 0.807 356 L CB 1.468 43.508 42.059 -0.030 0.000 1.226 356 L HN 0.857 nan 8.230 nan 0.000 0.433 357 G N 0.201 109.099 108.800 0.163 0.000 2.827 357 G HA2 0.664 4.625 3.960 0.002 0.000 0.296 357 G HA3 0.664 4.625 3.960 0.002 0.000 0.296 357 G C -0.842 174.154 174.900 0.159 0.000 1.362 357 G CA -0.153 45.035 45.100 0.147 0.000 0.809 357 G HN 0.544 nan 8.290 nan 0.000 0.522 358 T N -3.143 111.471 114.554 0.100 0.000 2.889 358 T HA 0.592 4.943 4.350 0.002 0.000 0.278 358 T C 1.783 176.501 174.700 0.029 0.000 0.995 358 T CA 0.655 62.787 62.100 0.053 0.000 0.966 358 T CB 1.258 70.146 68.868 0.033 0.000 1.237 358 T HN 1.292 nan 8.240 nan 0.000 0.591 359 A N 0.025 122.842 122.820 -0.005 0.000 2.019 359 A HA -0.040 4.281 4.320 0.002 0.000 0.219 359 A C 2.565 180.157 177.584 0.014 0.000 1.164 359 A CA 1.207 53.242 52.037 -0.002 0.000 0.644 359 A CB -0.912 18.075 19.000 -0.022 0.000 0.805 359 A HN 0.646 nan 8.150 nan 0.000 0.449 360 R N -0.060 120.450 120.500 0.016 0.000 2.152 360 R HA -0.069 4.271 4.340 0.002 0.000 0.232 360 R C 1.154 177.472 176.300 0.031 0.000 1.117 360 R CA 1.339 57.451 56.100 0.021 0.000 0.981 360 R CB -0.955 29.356 30.300 0.019 0.000 0.870 360 R HN 0.741 nan 8.270 nan 0.000 0.451 361 D N -0.029 120.395 120.400 0.041 0.000 2.349 361 D HA 0.196 4.837 4.640 0.002 0.000 0.215 361 D C 0.532 176.867 176.300 0.057 0.000 1.016 361 D CA 0.401 54.432 54.000 0.052 0.000 0.870 361 D CB -0.028 40.811 40.800 0.066 0.000 0.917 361 D HN 0.377 nan 8.370 nan 0.000 0.524 362 A N 1.067 123.918 122.820 0.052 0.000 2.477 362 A HA 0.068 4.389 4.320 0.002 0.000 0.246 362 A C 0.490 178.105 177.584 0.052 0.000 1.078 362 A CA -0.081 51.990 52.037 0.057 0.000 0.770 362 A CB 0.343 19.372 19.000 0.049 0.000 1.011 362 A HN 0.065 nan 8.150 nan 0.000 0.494 363 Q N 1.764 121.599 119.800 0.059 0.000 2.286 363 Q HA 0.421 4.762 4.340 0.002 0.000 0.257 363 Q C -1.093 174.936 176.000 0.049 0.000 0.941 363 Q CA -0.315 55.522 55.803 0.057 0.000 0.912 363 Q CB 0.744 29.523 28.738 0.068 0.000 1.192 363 Q HN 0.532 nan 8.270 nan 0.000 0.410 364 V N 6.516 126.455 119.914 0.042 0.000 2.364 364 V HA 0.232 4.353 4.120 0.002 0.000 0.272 364 V C -0.166 175.950 176.094 0.037 0.000 1.036 364 V CA -0.425 61.897 62.300 0.036 0.000 0.880 364 V CB 0.827 32.667 31.823 0.029 0.000 0.991 364 V HN 0.686 nan 8.190 nan 0.000 0.460 365 L N 4.384 125.630 121.223 0.038 0.000 2.264 365 L HA 0.427 4.768 4.340 0.002 0.000 0.287 365 L C 0.282 177.171 176.870 0.032 0.000 1.039 365 L CA -0.320 54.542 54.840 0.038 0.000 0.829 365 L CB 1.024 43.108 42.059 0.042 0.000 1.211 365 L HN 0.487 nan 8.230 nan 0.000 0.427 366 D N 4.147 124.565 120.400 0.030 0.000 2.551 366 D HA 0.086 4.727 4.640 0.002 0.000 0.223 366 D C 0.035 176.349 176.300 0.024 0.000 1.144 366 D CA 0.061 54.076 54.000 0.025 0.000 1.025 366 D CB 0.234 41.048 40.800 0.023 0.000 1.085 366 D HN 0.472 nan 8.370 nan 0.000 0.506 367 E N 1.015 121.231 120.200 0.026 0.000 2.283 367 E HA 0.101 4.452 4.350 0.002 0.000 0.271 367 E C 1.035 177.648 176.600 0.021 0.000 1.031 367 E CA -0.822 55.594 56.400 0.028 0.000 0.868 367 E CB 1.983 31.704 29.700 0.034 0.000 1.094 367 E HN 0.174 nan 8.360 nan 0.000 0.401 368 L N 2.232 123.467 121.223 0.020 0.000 2.079 368 L HA -0.172 4.169 4.340 0.002 0.000 0.210 368 L C 1.711 178.589 176.870 0.014 0.000 1.081 368 L CA 1.912 56.758 54.840 0.008 0.000 0.752 368 L CB -0.064 41.997 42.059 0.005 0.000 0.896 368 L HN 0.658 nan 8.230 nan 0.000 0.433 369 M N -1.183 118.431 119.600 0.023 0.000 2.563 369 M HA 0.334 4.815 4.480 0.002 0.000 0.231 369 M C 0.486 176.798 176.300 0.021 0.000 1.136 369 M CA 0.459 55.772 55.300 0.022 0.000 1.026 369 M CB -0.197 32.418 32.600 0.026 0.000 1.597 369 M HN 0.311 nan 8.290 nan 0.000 0.495 370 G N 1.109 109.922 108.800 0.020 0.000 2.379 370 G HA2 -0.061 3.900 3.960 0.002 0.000 0.609 370 G HA3 -0.061 3.900 3.960 0.002 0.000 0.609 370 G C -1.384 173.529 174.900 0.022 0.000 1.484 370 G CA -1.005 44.107 45.100 0.020 0.000 0.921 370 G HN 0.282 nan 8.290 nan 0.000 0.658 371 E N 0.218 120.430 120.200 0.021 0.000 2.384 371 E HA 0.503 4.854 4.350 0.002 0.000 0.266 371 E C 0.403 177.017 176.600 0.025 0.000 1.012 371 E CA -0.191 56.223 56.400 0.022 0.000 0.901 371 E CB 0.605 30.317 29.700 0.020 0.000 0.967 371 E HN 0.597 nan 8.360 nan 0.000 0.435 372 R N 2.140 122.657 120.500 0.029 0.000 2.651 372 R HA 0.278 4.619 4.340 0.002 0.000 0.278 372 R C -1.379 174.943 176.300 0.036 0.000 1.010 372 R CA -0.547 55.572 56.100 0.032 0.000 0.896 372 R CB 1.623 31.944 30.300 0.035 0.000 1.211 372 R HN 0.630 nan 8.270 nan 0.000 0.456 373 T N -0.347 114.229 114.554 0.037 0.000 2.824 373 T HA 0.344 4.695 4.350 0.002 0.000 0.280 373 T C -0.586 174.146 174.700 0.053 0.000 0.995 373 T CA -0.802 61.323 62.100 0.041 0.000 1.009 373 T CB 1.584 70.472 68.868 0.034 0.000 0.955 373 T HN 0.398 nan 8.240 nan 0.000 0.452 374 D N 1.681 122.118 120.400 0.062 0.000 2.308 374 D HA 0.357 4.998 4.640 0.002 0.000 0.242 374 D C 1.133 177.491 176.300 0.096 0.000 1.059 374 D CA -0.514 53.535 54.000 0.081 0.000 0.830 374 D CB 2.057 42.901 40.800 0.073 0.000 1.161 374 D HN 0.740 nan 8.370 nan 0.000 0.494 375 T N 0.482 115.114 114.554 0.130 0.000 3.022 375 T HA 0.159 4.510 4.350 0.002 0.000 0.250 375 T C 0.522 175.372 174.700 0.249 0.000 1.060 375 T CA -0.206 61.985 62.100 0.152 0.000 1.013 375 T CB 0.031 68.975 68.868 0.128 0.000 0.982 375 T HN 0.209 nan 8.240 nan 0.000 0.508 376 F N 2.720 122.709 119.950 0.066 0.000 2.403 376 F HA 0.677 5.209 4.527 0.008 0.000 0.355 376 F C -1.288 174.543 175.800 0.053 0.000 1.119 376 F CA -2.836 55.206 58.000 0.071 0.000 1.007 376 F CB 0.854 39.907 39.000 0.089 0.000 1.194 376 F HN -0.021 nan 8.300 nan 0.000 0.443 377 L N 6.755 127.813 121.223 -0.275 0.000 2.329 377 L HA 0.512 4.853 4.340 0.002 0.000 0.279 377 L C -1.255 175.219 176.870 -0.659 0.000 1.014 377 L CA -0.780 53.803 54.840 -0.428 0.000 0.814 377 L CB 2.094 43.977 42.059 -0.292 0.000 1.257 377 L HN 0.590 nan 8.230 nan 0.000 0.424 378 F N 2.549 122.052 119.950 -0.744 0.000 2.612 378 F HA 0.450 4.977 4.527 -0.001 0.000 0.332 378 F C -0.527 175.067 175.800 -0.342 0.000 1.167 378 F CA -0.561 57.118 58.000 -0.534 0.000 0.970 378 F CB 0.945 39.670 39.000 -0.458 0.000 1.234 378 F HN 0.451 nan 8.300 nan 0.000 0.453 379 H N 4.940 124.101 119.070 0.152 0.000 2.495 379 H HA 0.245 4.803 4.556 0.003 0.000 0.348 379 H C -1.618 173.892 175.328 0.303 0.000 1.113 379 H CA -0.745 55.422 56.048 0.199 0.000 1.195 379 H CB 1.994 31.800 29.762 0.074 0.000 1.521 379 H HN 0.692 nan 8.280 nan 0.000 0.509 380 Y N 3.245 123.734 120.300 0.316 0.000 2.326 380 Y HA 0.303 4.854 4.550 0.001 0.000 0.331 380 Y C -1.124 174.893 175.900 0.195 0.000 0.962 380 Y CA -0.711 57.550 58.100 0.268 0.000 1.167 380 Y CB 0.904 39.530 38.460 0.277 0.000 1.148 380 Y HN 0.485 nan 8.280 nan 0.000 0.463 381 N N 6.583 125.201 118.700 -0.137 0.000 2.372 381 N HA 0.261 5.002 4.740 0.002 0.000 0.291 381 N C -1.883 173.476 175.510 -0.251 0.000 1.024 381 N CA -0.395 52.591 53.050 -0.106 0.000 0.873 381 N CB 1.832 40.286 38.487 -0.056 0.000 1.206 381 N HN 0.716 nan 8.380 nan 0.000 0.486 382 F N 4.103 123.916 119.950 -0.229 0.000 2.564 382 F HA 0.373 4.900 4.527 0.001 0.000 0.368 382 F C -2.139 173.559 175.800 -0.170 0.000 1.127 382 F CA -1.722 56.158 58.000 -0.201 0.000 1.170 382 F CB 1.035 40.033 39.000 -0.004 0.000 1.397 382 F HN 0.288 nan 8.300 nan 0.000 0.493 383 P HA 0.226 nan 4.420 nan 0.000 0.274 383 P C -2.386 174.631 177.300 -0.472 0.000 1.237 383 P CA -1.348 61.501 63.100 -0.419 0.000 0.793 383 P CB 0.783 32.074 31.700 -0.682 0.000 0.977 384 P HA -0.128 nan 4.420 nan 0.000 0.223 384 P C 1.395 178.643 177.300 -0.086 0.000 1.151 384 P CA 1.262 64.317 63.100 -0.075 0.000 0.787 384 P CB -0.400 31.316 31.700 0.027 0.000 0.788 385 Y N 0.184 120.440 120.300 -0.073 0.000 2.509 385 Y HA 0.003 4.554 4.550 0.002 0.000 0.293 385 Y C 2.231 178.070 175.900 -0.102 0.000 1.133 385 Y CA 0.747 58.806 58.100 -0.068 0.000 1.283 385 Y CB -1.595 36.830 38.460 -0.058 0.000 1.001 385 Y HN -0.064 nan 8.280 nan 0.000 0.555 386 S N 0.783 116.210 115.700 -0.456 0.000 2.442 386 S HA -0.155 4.316 4.470 0.002 0.000 0.236 386 S C 1.362 175.869 174.600 -0.155 0.000 1.007 386 S CA 1.048 59.020 58.200 -0.380 0.000 0.965 386 S CB -0.934 61.791 63.200 -0.791 0.000 0.773 386 S HN 0.574 nan 8.310 nan 0.000 0.504 387 V N -3.167 116.699 119.914 -0.078 0.000 3.176 387 V HA 0.740 4.861 4.120 0.002 0.000 0.332 387 V C 1.068 177.216 176.094 0.091 0.000 1.414 387 V CA -0.294 62.044 62.300 0.065 0.000 1.133 387 V CB -0.736 31.188 31.823 0.169 0.000 1.088 387 V HN 0.701 nan 8.190 nan 0.000 0.473 388 G N 0.426 109.271 108.800 0.076 0.000 2.246 388 G HA2 -0.223 3.738 3.960 0.002 0.000 0.273 388 G HA3 -0.223 3.738 3.960 0.002 0.000 0.273 388 G C -0.190 174.761 174.900 0.085 0.000 1.055 388 G CA 0.681 45.833 45.100 0.087 0.000 0.851 388 G HN 0.715 nan 8.290 nan 0.000 0.500 389 E N -0.674 119.575 120.200 0.082 0.000 2.378 389 E HA 0.694 5.045 4.350 0.002 0.000 0.265 389 E C 0.366 177.008 176.600 0.070 0.000 0.932 389 E CA -0.394 56.048 56.400 0.071 0.000 0.795 389 E CB 1.511 31.254 29.700 0.072 0.000 1.296 389 E HN 0.347 nan 8.360 nan 0.000 0.438 390 T N -1.768 112.819 114.554 0.056 0.000 2.943 390 T HA 0.825 5.176 4.350 0.002 0.000 0.284 390 T C 0.176 174.902 174.700 0.045 0.000 1.015 390 T CA -0.607 61.524 62.100 0.052 0.000 1.042 390 T CB 1.593 70.485 68.868 0.040 0.000 1.055 390 T HN 0.640 nan 8.240 nan 0.000 0.500 391 G N 1.311 110.137 108.800 0.043 0.000 2.404 391 G HA2 0.411 4.372 3.960 0.002 0.000 0.298 391 G HA3 0.411 4.372 3.960 0.002 0.000 0.298 391 G C -0.578 174.343 174.900 0.034 0.000 1.577 391 G CA -1.309 43.813 45.100 0.036 0.000 0.847 391 G HN 0.944 nan 8.290 nan 0.000 0.598 392 M N 0.998 120.614 119.600 0.027 0.000 2.508 392 M HA 0.015 4.496 4.480 0.002 0.000 0.447 392 M C 0.799 177.115 176.300 0.027 0.000 1.654 392 M CA 0.453 55.767 55.300 0.024 0.000 0.944 392 M CB -0.391 32.219 32.600 0.017 0.000 2.088 392 M HN 0.465 nan 8.290 nan 0.000 0.506 393 V N 2.464 122.394 119.914 0.027 0.000 2.247 393 V HA 0.637 4.758 4.120 0.002 0.000 0.262 393 V C 0.651 176.757 176.094 0.020 0.000 1.096 393 V CA -0.142 62.175 62.300 0.027 0.000 0.895 393 V CB -0.057 31.785 31.823 0.032 0.000 1.141 393 V HN 0.947 nan 8.190 nan 0.000 0.478 394 G N 3.807 112.617 108.800 0.017 0.000 3.198 394 G HA2 0.472 4.433 3.960 0.002 0.000 0.203 394 G HA3 0.472 4.433 3.960 0.002 0.000 0.203 394 G C 0.198 175.104 174.900 0.009 0.000 1.950 394 G CA 0.247 45.354 45.100 0.011 0.000 0.798 394 G HN 0.892 nan 8.290 nan 0.000 0.720 395 S N 1.100 116.804 115.700 0.007 0.000 2.489 395 S HA 0.599 5.070 4.470 0.002 0.000 0.291 395 S C -2.824 171.780 174.600 0.007 0.000 1.151 395 S CA -1.194 57.007 58.200 0.002 0.000 1.082 395 S CB 1.474 64.674 63.200 0.000 0.000 1.019 395 S HN 0.252 nan 8.310 nan 0.000 0.492 396 P HA -0.065 nan 4.420 nan 0.000 0.260 396 P C -0.334 176.974 177.300 0.013 0.000 1.147 396 P CA 0.558 63.671 63.100 0.022 0.000 0.758 396 P CB 0.178 31.887 31.700 0.016 0.000 0.744 397 K N 2.840 123.250 120.400 0.017 0.000 2.168 397 K HA 0.185 4.506 4.320 0.002 0.000 0.258 397 K C 1.549 178.126 176.600 -0.038 0.000 1.010 397 K CA -0.466 55.814 56.287 -0.012 0.000 0.929 397 K CB 0.627 33.116 32.500 -0.018 0.000 0.998 397 K HN 0.294 nan 8.250 nan 0.000 0.479 398 R N 1.025 121.489 120.500 -0.060 0.000 2.159 398 R HA -0.182 4.158 4.340 0.002 0.000 0.237 398 R C 2.225 178.439 176.300 -0.144 0.000 1.131 398 R CA 1.422 57.473 56.100 -0.081 0.000 0.982 398 R CB -0.123 30.133 30.300 -0.074 0.000 0.868 398 R HN 0.489 nan 8.270 nan 0.000 0.453 399 R N 1.191 121.575 120.500 -0.193 0.000 2.093 399 R HA -0.099 4.242 4.340 0.002 0.000 0.224 399 R C 1.613 177.629 176.300 -0.472 0.000 1.101 399 R CA 1.281 57.147 56.100 -0.390 0.000 0.979 399 R CB 0.138 30.215 30.300 -0.372 0.000 0.877 399 R HN 0.234 nan 8.270 nan 0.000 0.441 400 E N 0.250 120.360 120.200 -0.150 0.000 2.110 400 E HA -0.193 4.158 4.350 0.002 0.000 0.193 400 E C 1.936 178.552 176.600 0.027 0.000 0.988 400 E CA 1.452 57.907 56.400 0.091 0.000 0.804 400 E CB -0.069 29.776 29.700 0.242 0.000 0.745 400 E HN 0.371 nan 8.360 nan 0.000 0.458 401 I N 0.679 121.233 120.570 -0.027 0.000 2.226 401 I HA -0.196 3.975 4.170 0.002 0.000 0.245 401 I C 2.487 178.559 176.117 -0.075 0.000 1.100 401 I CA 1.274 62.565 61.300 -0.015 0.000 1.374 401 I CB -0.400 37.591 38.000 -0.015 0.000 1.057 401 I HN 0.162 nan 8.210 nan 0.000 0.413 402 G N -0.545 108.159 108.800 -0.161 0.000 2.418 402 G HA2 -0.227 3.733 3.960 0.002 0.000 0.217 402 G HA3 -0.227 3.733 3.960 0.002 0.000 0.217 402 G C 1.443 176.261 174.900 -0.138 0.000 1.158 402 G CA 0.760 45.763 45.100 -0.163 0.000 0.771 402 G HN 0.479 nan 8.290 nan 0.000 0.545 403 H N -0.242 118.612 119.070 -0.361 0.000 2.470 403 H HA 0.073 4.629 4.556 0.001 0.000 0.289 403 H C 2.844 177.832 175.328 -0.568 0.000 1.033 403 H CA 0.072 55.755 56.048 -0.608 0.000 1.331 403 H CB 0.242 29.314 29.762 -1.149 0.000 1.414 403 H HN 0.414 nan 8.280 nan 0.000 0.545 404 G N 0.959 109.629 108.800 -0.215 0.000 2.408 404 G HA2 -0.273 3.688 3.960 0.002 0.000 0.217 404 G HA3 -0.273 3.688 3.960 0.002 0.000 0.217 404 G C 1.796 176.598 174.900 -0.164 0.000 1.150 404 G CA 0.445 45.550 45.100 0.007 0.000 0.776 404 G HN 0.190 nan 8.290 nan 0.000 0.542 405 R N 0.081 120.500 120.500 -0.134 0.000 2.073 405 R HA 0.117 4.458 4.340 0.002 0.000 0.229 405 R C 2.333 178.514 176.300 -0.198 0.000 1.120 405 R CA 0.906 56.920 56.100 -0.142 0.000 0.967 405 R CB -0.973 29.279 30.300 -0.080 0.000 0.862 405 R HN 0.320 nan 8.270 nan 0.000 0.436 406 L N 0.315 121.421 121.223 -0.195 0.000 2.046 406 L HA 0.020 4.361 4.340 0.002 0.000 0.208 406 L C 2.046 178.756 176.870 -0.267 0.000 1.077 406 L CA 2.324 57.049 54.840 -0.192 0.000 0.747 406 L CB -0.955 41.006 42.059 -0.163 0.000 0.896 406 L HN 0.236 nan 8.230 nan 0.000 0.432 407 A N -0.736 121.838 122.820 -0.410 0.000 1.969 407 A HA -0.231 4.090 4.320 0.002 0.000 0.218 407 A C 2.449 179.565 177.584 -0.781 0.000 1.169 407 A CA 1.785 53.472 52.037 -0.583 0.000 0.635 407 A CB -0.602 17.968 19.000 -0.718 0.000 0.810 407 A HN 0.526 nan 8.150 nan 0.000 0.445 408 K N -0.269 119.618 120.400 -0.855 0.000 2.057 408 K HA -0.123 4.198 4.320 0.002 0.000 0.207 408 K C 2.170 178.747 176.600 -0.038 0.000 1.049 408 K CA 1.289 57.333 56.287 -0.405 0.000 0.931 408 K CB -0.172 32.156 32.500 -0.288 0.000 0.714 408 K HN 0.425 nan 8.250 nan 0.000 0.440 409 R N -0.599 119.842 120.500 -0.099 0.000 2.148 409 R HA -0.056 4.285 4.340 0.002 0.000 0.227 409 R C 2.261 178.544 176.300 -0.028 0.000 1.103 409 R CA 1.066 57.147 56.100 -0.032 0.000 0.983 409 R CB -0.187 30.079 30.300 -0.057 0.000 0.874 409 R HN 0.329 nan 8.270 nan 0.000 0.451 410 G N -0.103 108.656 108.800 -0.067 0.000 2.511 410 G HA2 -0.089 3.872 3.960 0.002 0.000 0.217 410 G HA3 -0.089 3.872 3.960 0.002 0.000 0.217 410 G C 1.245 176.147 174.900 0.005 0.000 1.133 410 G CA 0.238 45.311 45.100 -0.045 0.000 0.792 410 G HN 0.127 nan 8.290 nan 0.000 0.539 411 V N -0.015 119.938 119.914 0.066 0.000 3.263 411 V HA 0.134 4.255 4.120 0.002 0.000 0.248 411 V C 2.333 178.462 176.094 0.058 0.000 1.145 411 V CA 0.200 62.572 62.300 0.121 0.000 1.107 411 V CB 0.404 32.427 31.823 0.333 0.000 0.797 411 V HN 0.270 nan 8.190 nan 0.000 0.467 412 L N 1.689 122.978 121.223 0.111 0.000 2.081 412 L HA -0.145 4.196 4.340 0.002 0.000 0.212 412 L C 2.448 179.307 176.870 -0.019 0.000 1.080 412 L CA 2.395 57.269 54.840 0.057 0.000 0.754 412 L CB -0.729 41.408 42.059 0.130 0.000 0.893 412 L HN 0.277 nan 8.230 nan 0.000 0.433 413 A N -1.285 121.530 122.820 -0.007 0.000 2.019 413 A HA -0.111 4.210 4.320 0.002 0.000 0.219 413 A C 2.044 179.607 177.584 -0.035 0.000 1.164 413 A CA 1.817 53.845 52.037 -0.015 0.000 0.644 413 A CB -0.838 18.157 19.000 -0.009 0.000 0.805 413 A HN 0.471 nan 8.150 nan 0.000 0.449 414 V N -4.511 115.371 119.914 -0.053 0.000 3.660 414 V HA 0.263 4.384 4.120 0.002 0.000 0.276 414 V C 0.725 176.755 176.094 -0.107 0.000 1.317 414 V CA -0.323 61.937 62.300 -0.067 0.000 1.097 414 V CB -0.650 31.139 31.823 -0.056 0.000 0.863 414 V HN 0.302 nan 8.190 nan 0.000 0.438 415 M N 3.456 122.960 119.600 -0.161 0.000 2.252 415 M HA 0.318 4.799 4.480 0.002 0.000 0.348 415 M C -2.291 173.933 176.300 -0.126 0.000 1.334 415 M CA -1.693 53.470 55.300 -0.228 0.000 1.071 415 M CB 0.125 32.471 32.600 -0.423 0.000 1.763 415 M HN 0.188 nan 8.290 nan 0.000 0.452 416 P HA 0.143 nan 4.420 nan 0.000 0.275 416 P C -0.887 176.432 177.300 0.031 0.000 1.227 416 P CA -0.423 62.665 63.100 -0.019 0.000 0.781 416 P CB 0.359 32.056 31.700 -0.004 0.000 0.906 417 D N 2.184 122.606 120.400 0.036 0.000 2.393 417 D HA 0.024 4.665 4.640 0.002 0.000 0.246 417 D C 1.445 177.787 176.300 0.070 0.000 1.275 417 D CA -0.327 53.699 54.000 0.044 0.000 0.979 417 D CB 0.178 40.993 40.800 0.027 0.000 1.101 417 D HN 0.097 nan 8.370 nan 0.000 0.505 418 M N -0.133 119.494 119.600 0.044 0.000 2.296 418 M HA -0.080 4.401 4.480 0.002 0.000 0.265 418 M C 0.688 176.986 176.300 -0.003 0.000 1.064 418 M CA 1.068 56.377 55.300 0.016 0.000 1.109 418 M CB -0.804 31.791 32.600 -0.008 0.000 1.396 418 M HN 0.423 nan 8.290 nan 0.000 0.430 419 D N 0.073 120.480 120.400 0.012 0.000 2.317 419 D HA -0.092 4.549 4.640 0.002 0.000 0.211 419 D C 1.936 178.254 176.300 0.030 0.000 0.966 419 D CA 0.937 54.941 54.000 0.006 0.000 0.876 419 D CB 0.110 40.914 40.800 0.007 0.000 0.927 419 D HN 0.306 nan 8.370 nan 0.000 0.519 420 K N -0.944 119.499 120.400 0.071 0.000 2.391 420 K HA 0.092 4.413 4.320 0.002 0.000 0.197 420 K C -0.472 176.276 176.600 0.247 0.000 1.087 420 K CA 0.018 56.373 56.287 0.114 0.000 1.012 420 K CB 0.523 33.075 32.500 0.088 0.000 0.925 420 K HN -0.063 nan 8.250 nan 0.000 0.547 421 F N 2.117 122.087 119.950 0.034 0.000 3.159 421 F HA 0.344 4.868 4.527 -0.005 0.000 0.394 421 F C -2.707 173.139 175.800 0.076 0.000 1.214 421 F CA -2.236 55.835 58.000 0.117 0.000 1.241 421 F CB 1.483 40.561 39.000 0.130 0.000 2.238 421 F HN -0.098 nan 8.300 nan 0.000 0.658 422 P HA 0.117 nan 4.420 nan 0.000 0.235 422 P C -1.452 175.320 177.300 -0.879 0.000 1.765 422 P CA 0.714 63.512 63.100 -0.502 0.000 1.034 422 P CB -0.694 30.725 31.700 -0.468 0.000 1.984 423 Y N -1.406 118.695 120.300 -0.332 0.000 2.562 423 Y HA 0.326 4.876 4.550 0.000 0.000 0.345 423 Y C 0.809 176.678 175.900 -0.052 0.000 1.045 423 Y CA -0.914 57.025 58.100 -0.269 0.000 1.028 423 Y CB 1.452 39.598 38.460 -0.524 0.000 1.297 423 Y HN -0.236 nan 8.280 nan 0.000 0.463 424 T N 2.775 117.428 114.554 0.165 0.000 2.794 424 T HA 0.443 4.794 4.350 0.002 0.000 0.296 424 T C -0.524 174.304 174.700 0.214 0.000 0.949 424 T CA -0.411 61.790 62.100 0.168 0.000 1.101 424 T CB 0.253 69.193 68.868 0.120 0.000 0.905 424 T HN 0.303 nan 8.240 nan 0.000 0.516 425 V N 4.837 124.907 119.914 0.261 0.000 2.409 425 V HA 0.498 4.619 4.120 0.002 0.000 0.291 425 V C 0.227 176.458 176.094 0.228 0.000 1.020 425 V CA -0.904 61.566 62.300 0.283 0.000 0.848 425 V CB 1.548 33.582 31.823 0.351 0.000 0.990 425 V HN 0.703 nan 8.190 nan 0.000 0.430 426 R N 3.655 124.218 120.500 0.105 0.000 2.343 426 R HA 0.708 5.049 4.340 0.002 0.000 0.320 426 R C -1.653 174.579 176.300 -0.112 0.000 0.956 426 R CA -0.374 55.700 56.100 -0.044 0.000 0.836 426 R CB 1.842 32.121 30.300 -0.035 0.000 1.151 426 R HN 0.552 nan 8.270 nan 0.000 0.450 427 V N 5.345 125.072 119.914 -0.313 0.000 2.417 427 V HA 0.368 4.489 4.120 0.002 0.000 0.291 427 V C -0.318 175.429 176.094 -0.577 0.000 1.024 427 V CA -0.733 61.276 62.300 -0.485 0.000 0.861 427 V CB 1.794 33.146 31.823 -0.786 0.000 0.985 427 V HN 0.462 nan 8.190 nan 0.000 0.436 428 V N 3.656 123.379 119.914 -0.318 0.000 2.409 428 V HA 0.482 4.603 4.120 0.002 0.000 0.291 428 V C 0.121 176.150 176.094 -0.108 0.000 1.020 428 V CA -0.308 61.900 62.300 -0.154 0.000 0.848 428 V CB 1.857 33.659 31.823 -0.035 0.000 0.990 428 V HN 0.833 nan 8.190 nan 0.000 0.430 429 S N 4.150 119.844 115.700 -0.009 0.000 2.438 429 S HA 0.423 4.894 4.470 0.002 0.000 0.316 429 S C -0.402 174.187 174.600 -0.019 0.000 1.084 429 S CA -0.697 57.536 58.200 0.056 0.000 1.107 429 S CB 0.484 63.838 63.200 0.257 0.000 0.981 429 S HN 0.724 nan 8.310 nan 0.000 0.466 430 E N 4.682 124.862 120.200 -0.033 0.000 2.081 430 E HA 0.230 4.581 4.350 0.002 0.000 0.276 430 E C -0.320 176.216 176.600 -0.106 0.000 0.950 430 E CA -0.653 55.699 56.400 -0.080 0.000 0.776 430 E CB 0.796 30.482 29.700 -0.024 0.000 1.094 430 E HN 0.533 nan 8.360 nan 0.000 0.402 431 I N 3.798 124.230 120.570 -0.230 0.000 2.406 431 I HA -0.031 4.140 4.170 0.002 0.000 0.293 431 I C 1.687 177.629 176.117 -0.292 0.000 1.101 431 I CA 0.269 61.429 61.300 -0.234 0.000 1.334 431 I CB -0.271 37.552 38.000 -0.296 0.000 1.421 431 I HN 0.419 nan 8.210 nan 0.000 0.513 432 T N 2.468 116.951 114.554 -0.119 0.000 3.044 432 T HA 0.207 4.558 4.350 0.002 0.000 0.255 432 T C 0.592 175.276 174.700 -0.028 0.000 1.073 432 T CA 0.157 62.252 62.100 -0.008 0.000 1.125 432 T CB 0.345 69.272 68.868 0.099 0.000 0.908 432 T HN 0.546 nan 8.240 nan 0.000 0.480 433 E N 0.245 120.410 120.200 -0.060 0.000 2.314 433 E HA 0.633 4.984 4.350 0.002 0.000 0.272 433 E C -1.640 174.942 176.600 -0.030 0.000 0.884 433 E CA -0.623 55.752 56.400 -0.041 0.000 0.753 433 E CB 2.415 32.115 29.700 0.000 0.000 1.213 433 E HN 0.017 nan 8.360 nan 0.000 0.432 434 S N 1.506 117.207 115.700 0.002 0.000 2.647 434 S HA 0.458 4.929 4.470 0.002 0.000 0.300 434 S C -0.969 173.707 174.600 0.127 0.000 1.129 434 S CA -0.590 57.682 58.200 0.120 0.000 1.029 434 S CB 0.562 63.919 63.200 0.261 0.000 1.007 434 S HN 0.507 nan 8.310 nan 0.000 0.484 435 N N 2.566 121.337 118.700 0.118 0.000 2.604 435 N HA 0.386 5.127 4.740 0.002 0.000 0.284 435 N C -0.263 175.301 175.510 0.090 0.000 1.716 435 N CA 0.818 53.929 53.050 0.101 0.000 0.859 435 N CB 0.645 39.157 38.487 0.041 0.000 1.403 435 N HN 1.015 nan 8.380 nan 0.000 0.501 436 G N -0.069 108.799 108.800 0.114 0.000 2.707 436 G HA2 -0.134 3.827 3.960 0.002 0.000 0.686 436 G HA3 -0.134 3.827 3.960 0.002 0.000 0.686 436 G C -0.533 174.425 174.900 0.096 0.000 1.315 436 G CA -0.402 44.746 45.100 0.081 0.000 0.832 436 G HN 0.455 nan 8.290 nan 0.000 0.573 437 S N -0.363 115.385 115.700 0.079 0.000 2.546 437 S HA 0.398 4.869 4.470 0.002 0.000 0.290 437 S C 1.808 176.476 174.600 0.113 0.000 1.262 437 S CA 0.917 59.153 58.200 0.060 0.000 1.083 437 S CB 0.293 63.509 63.200 0.026 0.000 0.859 437 S HN 2.099 nan 8.310 nan 0.000 0.495 438 S N 3.603 119.387 115.700 0.140 0.000 2.456 438 S HA -0.055 4.416 4.470 0.002 0.000 0.224 438 S C 2.056 176.836 174.600 0.299 0.000 1.035 438 S CA 0.583 58.945 58.200 0.270 0.000 0.940 438 S CB -0.665 62.803 63.200 0.446 0.000 0.799 438 S HN 0.922 nan 8.310 nan 0.000 0.508 439 S N 2.028 117.794 115.700 0.110 0.000 2.423 439 S HA 0.027 4.498 4.470 0.002 0.000 0.231 439 S C 1.880 176.489 174.600 0.015 0.000 1.014 439 S CA 0.818 59.024 58.200 0.010 0.000 0.965 439 S CB -0.569 62.442 63.200 -0.315 0.000 0.785 439 S HN 0.317 nan 8.310 nan 0.000 0.495 440 M N 1.485 121.096 119.600 0.018 0.000 2.349 440 M HA 0.306 4.786 4.480 0.002 0.000 0.266 440 M C 2.556 178.874 176.300 0.031 0.000 1.076 440 M CA 1.082 56.391 55.300 0.014 0.000 1.126 440 M CB -1.716 30.900 32.600 0.026 0.000 1.392 440 M HN 0.549 nan 8.290 nan 0.000 0.440 441 A N -0.257 122.646 122.820 0.138 0.000 1.969 441 A HA -0.071 4.250 4.320 0.002 0.000 0.218 441 A C 2.434 180.078 177.584 0.101 0.000 1.169 441 A CA 1.766 53.933 52.037 0.216 0.000 0.635 441 A CB -0.596 18.642 19.000 0.396 0.000 0.810 441 A HN 0.455 nan 8.150 nan 0.000 0.445 442 S N -0.437 115.366 115.700 0.173 0.000 2.402 442 S HA -0.088 4.383 4.470 0.002 0.000 0.229 442 S C 1.843 176.566 174.600 0.205 0.000 1.021 442 S CA 1.243 59.594 58.200 0.251 0.000 0.974 442 S CB -0.298 63.153 63.200 0.418 0.000 0.800 442 S HN 0.357 nan 8.310 nan 0.000 0.484 443 V N 1.142 121.093 119.914 0.062 0.000 2.307 443 V HA -0.220 3.900 4.120 0.002 0.000 0.245 443 V C 2.461 178.512 176.094 -0.072 0.000 1.045 443 V CA 1.529 63.839 62.300 0.016 0.000 1.024 443 V CB -0.896 30.900 31.823 -0.046 0.000 0.651 443 V HN 0.577 nan 8.190 nan 0.000 0.449 444 C N 0.766 119.892 119.300 -0.289 0.000 2.453 444 C HA -0.030 4.431 4.460 0.002 0.000 0.277 444 C C 2.958 177.728 174.990 -0.367 0.000 1.262 444 C CA 0.711 59.415 59.018 -0.524 0.000 1.718 444 C CB -1.718 25.192 27.740 -1.384 0.000 2.031 444 C HN 0.670 nan 8.230 nan 0.000 0.480 445 G N 0.387 109.018 108.800 -0.283 0.000 2.422 445 G HA2 -0.034 3.927 3.960 0.002 0.000 0.218 445 G HA3 -0.034 3.927 3.960 0.002 0.000 0.218 445 G C 1.846 176.758 174.900 0.020 0.000 1.146 445 G CA 1.092 46.174 45.100 -0.030 0.000 0.769 445 G HN 0.626 nan 8.290 nan 0.000 0.547 446 A N 0.586 123.446 122.820 0.065 0.000 1.873 446 A HA 0.005 4.326 4.320 0.002 0.000 0.215 446 A C 2.629 180.249 177.584 0.061 0.000 1.186 446 A CA 2.216 54.313 52.037 0.101 0.000 0.616 446 A CB -0.888 18.299 19.000 0.310 0.000 0.823 446 A HN 0.412 nan 8.150 nan 0.000 0.442 447 S N -0.479 115.239 115.700 0.031 0.000 2.370 447 S HA -0.131 4.340 4.470 0.002 0.000 0.226 447 S C 1.894 176.485 174.600 -0.014 0.000 1.033 447 S CA 1.647 59.845 58.200 -0.003 0.000 1.011 447 S CB -0.494 62.686 63.200 -0.034 0.000 0.852 447 S HN 0.469 nan 8.310 nan 0.000 0.457 448 L N 0.752 121.967 121.223 -0.012 0.000 2.109 448 L HA 0.086 4.427 4.340 0.002 0.000 0.207 448 L C 2.887 179.762 176.870 0.008 0.000 1.086 448 L CA 1.083 55.925 54.840 0.004 0.000 0.760 448 L CB -0.574 41.504 42.059 0.031 0.000 0.910 448 L HN 0.366 nan 8.230 nan 0.000 0.437 449 A N -0.030 122.797 122.820 0.012 0.000 1.968 449 A HA -0.074 4.247 4.320 0.002 0.000 0.217 449 A C 2.258 179.844 177.584 0.003 0.000 1.169 449 A CA 1.110 53.154 52.037 0.011 0.000 0.638 449 A CB -0.532 18.471 19.000 0.006 0.000 0.812 449 A HN 0.322 nan 8.150 nan 0.000 0.446 450 L N -1.216 120.005 121.223 -0.003 0.000 2.056 450 L HA -0.155 4.186 4.340 0.002 0.000 0.207 450 L C 2.836 179.671 176.870 -0.059 0.000 1.078 450 L CA 1.375 56.200 54.840 -0.026 0.000 0.749 450 L CB -0.394 41.645 42.059 -0.032 0.000 0.901 450 L HN 0.392 nan 8.230 nan 0.000 0.433 451 M N -0.708 118.862 119.600 -0.051 0.000 2.175 451 M HA -0.224 4.257 4.480 0.002 0.000 0.264 451 M C 1.801 178.075 176.300 -0.043 0.000 1.063 451 M CA 1.621 56.886 55.300 -0.058 0.000 1.119 451 M CB -0.422 32.153 32.600 -0.042 0.000 1.377 451 M HN 0.184 nan 8.290 nan 0.000 0.415 452 D N 0.374 120.761 120.400 -0.021 0.000 2.178 452 D HA -0.075 4.566 4.640 0.002 0.000 0.202 452 D C 1.686 177.982 176.300 -0.007 0.000 0.974 452 D CA 1.390 55.386 54.000 -0.007 0.000 0.841 452 D CB 0.192 40.997 40.800 0.008 0.000 0.953 452 D HN 0.288 nan 8.370 nan 0.000 0.478 453 A N -0.926 121.889 122.820 -0.008 0.000 2.169 453 A HA 0.421 4.742 4.320 0.002 0.000 0.212 453 A C 1.811 179.367 177.584 -0.047 0.000 1.153 453 A CA 1.031 53.068 52.037 0.001 0.000 0.756 453 A CB -0.376 18.646 19.000 0.038 0.000 0.813 453 A HN 0.432 nan 8.150 nan 0.000 0.471 454 G N -1.359 107.394 108.800 -0.079 0.000 2.132 454 G HA2 -0.175 3.786 3.960 0.002 0.000 0.234 454 G HA3 -0.175 3.786 3.960 0.002 0.000 0.234 454 G C 0.090 174.836 174.900 -0.257 0.000 0.989 454 G CA 0.043 45.072 45.100 -0.119 0.000 0.676 454 G HN 0.751 nan 8.290 nan 0.000 0.522 455 V N 2.026 121.754 119.914 -0.311 0.000 2.508 455 V HA 0.366 4.487 4.120 0.002 0.000 0.281 455 V C -1.005 174.817 176.094 -0.454 0.000 1.041 455 V CA -0.569 61.383 62.300 -0.581 0.000 1.016 455 V CB 1.378 32.968 31.823 -0.389 0.000 0.984 455 V HN 0.242 nan 8.190 nan 0.000 0.478 456 P HA 0.246 nan 4.420 nan 0.000 0.214 456 P C 0.072 177.244 177.300 -0.213 0.000 1.826 456 P CA -0.223 62.694 63.100 -0.305 0.000 0.977 456 P CB -0.246 31.296 31.700 -0.263 0.000 1.930 457 I N -1.966 118.491 120.570 -0.188 0.000 2.836 457 I HA 0.123 4.294 4.170 0.002 0.000 0.285 457 I C 1.020 177.082 176.117 -0.091 0.000 1.174 457 I CA -0.338 60.882 61.300 -0.133 0.000 1.405 457 I CB 0.632 38.561 38.000 -0.118 0.000 1.385 457 I HN -0.143 nan 8.210 nan 0.000 0.594 458 K N 3.721 124.079 120.400 -0.071 0.000 2.288 458 K HA 0.334 4.655 4.320 0.002 0.000 0.201 458 K C 0.291 176.866 176.600 -0.041 0.000 1.048 458 K CA 0.993 57.251 56.287 -0.049 0.000 0.956 458 K CB -0.052 32.425 32.500 -0.038 0.000 0.746 458 K HN 0.798 nan 8.250 nan 0.000 0.461 459 A N 0.527 123.320 122.820 -0.044 0.000 2.547 459 A HA 0.589 4.910 4.320 0.002 0.000 0.300 459 A C -1.196 176.367 177.584 -0.035 0.000 1.061 459 A CA -0.819 51.198 52.037 -0.033 0.000 0.808 459 A CB 0.651 19.636 19.000 -0.025 0.000 1.304 459 A HN 0.100 nan 8.150 nan 0.000 0.393 460 A N 0.867 123.669 122.820 -0.030 0.000 2.520 460 A HA 0.521 4.841 4.320 0.002 0.000 0.235 460 A C 0.255 177.822 177.584 -0.028 0.000 1.065 460 A CA 0.567 52.586 52.037 -0.030 0.000 0.764 460 A CB 0.320 19.304 19.000 -0.026 0.000 1.002 460 A HN 2.149 nan 8.150 nan 0.000 0.502 461 V N 1.160 121.054 119.914 -0.034 0.000 2.789 461 V HA 0.811 4.932 4.120 0.002 0.000 0.311 461 V C 0.014 176.074 176.094 -0.056 0.000 1.073 461 V CA 0.384 62.664 62.300 -0.032 0.000 0.921 461 V CB 1.750 33.561 31.823 -0.020 0.000 1.009 461 V HN 1.799 nan 8.190 nan 0.000 0.426 462 A N 3.778 126.569 122.820 -0.048 0.000 2.593 462 A HA 1.049 5.370 4.320 0.002 0.000 0.290 462 A C -0.326 177.237 177.584 -0.035 0.000 1.126 462 A CA -0.122 51.873 52.037 -0.069 0.000 0.695 462 A CB 1.991 20.963 19.000 -0.047 0.000 1.290 462 A HN 1.773 nan 8.150 nan 0.000 0.414 463 G N -0.935 107.848 108.800 -0.029 0.000 2.684 463 G HA2 0.792 4.753 3.960 0.002 0.000 0.290 463 G HA3 0.792 4.753 3.960 0.002 0.000 0.290 463 G C -1.441 173.486 174.900 0.045 0.000 1.425 463 G CA -0.048 45.055 45.100 0.004 0.000 0.822 463 G HN 1.593 nan 8.290 nan 0.000 0.482 464 I N -2.141 118.463 120.570 0.057 0.000 3.093 464 I HA 0.861 5.032 4.170 0.002 0.000 0.308 464 I C -0.164 175.998 176.117 0.074 0.000 1.303 464 I CA -1.811 59.536 61.300 0.079 0.000 0.975 464 I CB 1.783 39.839 38.000 0.094 0.000 1.286 464 I HN 0.870 nan 8.210 nan 0.000 0.459 465 A N 4.280 127.145 122.820 0.075 0.000 2.288 465 A HA 0.898 5.219 4.320 0.002 0.000 0.320 465 A C -0.448 177.193 177.584 0.095 0.000 1.217 465 A CA -0.591 51.495 52.037 0.080 0.000 0.840 465 A CB 0.717 19.744 19.000 0.045 0.000 1.179 465 A HN 0.620 nan 8.150 nan 0.000 0.504 466 M N 2.036 121.724 119.600 0.147 0.000 2.423 466 M HA 0.538 5.019 4.480 0.002 0.000 0.335 466 M C 0.569 176.917 176.300 0.079 0.000 1.177 466 M CA -0.313 55.041 55.300 0.090 0.000 1.038 466 M CB 1.112 33.730 32.600 0.030 0.000 1.641 466 M HN 0.787 nan 8.290 nan 0.000 0.455 467 G N 1.190 110.007 108.800 0.028 0.000 2.685 467 G HA2 0.826 4.787 3.960 0.002 0.000 0.298 467 G HA3 0.826 4.787 3.960 0.002 0.000 0.298 467 G C -2.058 172.844 174.900 0.004 0.000 1.277 467 G CA -0.478 44.638 45.100 0.026 0.000 0.986 467 G HN 0.596 nan 8.290 nan 0.000 0.487 468 L N -0.410 120.823 121.223 0.016 0.000 2.513 468 L HA 0.703 5.044 4.340 0.002 0.000 0.261 468 L C -1.326 175.563 176.870 0.033 0.000 0.945 468 L CA -0.600 54.252 54.840 0.020 0.000 0.848 468 L CB 2.389 44.443 42.059 -0.007 0.000 1.334 468 L HN 0.405 nan 8.230 nan 0.000 0.407 469 V N 4.351 124.295 119.914 0.050 0.000 2.483 469 V HA 0.605 4.725 4.120 0.002 0.000 0.297 469 V C -0.603 175.536 176.094 0.076 0.000 1.027 469 V CA -0.638 61.689 62.300 0.045 0.000 0.855 469 V CB 1.659 33.496 31.823 0.024 0.000 0.995 469 V HN 0.747 nan 8.190 nan 0.000 0.424 470 K N 3.683 124.121 120.400 0.064 0.000 2.541 470 K HA 0.543 4.864 4.320 0.002 0.000 0.250 470 K C -1.262 175.369 176.600 0.052 0.000 0.950 470 K CA -0.532 55.806 56.287 0.085 0.000 0.805 470 K CB 1.734 34.273 32.500 0.066 0.000 1.166 470 K HN 0.633 nan 8.250 nan 0.000 0.430 471 E N 2.995 123.226 120.200 0.052 0.000 2.220 471 E HA 0.274 4.625 4.350 0.002 0.000 0.256 471 E C 0.433 177.054 176.600 0.036 0.000 0.881 471 E CA -0.131 56.288 56.400 0.032 0.000 0.766 471 E CB 1.692 31.404 29.700 0.019 0.000 1.187 471 E HN 0.953 nan 8.360 nan 0.000 0.419 472 G N 5.017 113.834 108.800 0.029 0.000 2.574 472 G HA2 -0.364 3.597 3.960 0.002 0.000 0.301 472 G HA3 -0.364 3.597 3.960 0.002 0.000 0.301 472 G C 0.460 175.388 174.900 0.047 0.000 1.166 472 G CA 0.595 45.711 45.100 0.028 0.000 0.971 472 G HN 0.554 nan 8.290 nan 0.000 0.542 473 D N 1.749 122.183 120.400 0.055 0.000 2.389 473 D HA 0.103 4.744 4.640 0.002 0.000 0.206 473 D C 0.851 177.235 176.300 0.140 0.000 1.055 473 D CA 0.153 54.208 54.000 0.091 0.000 0.856 473 D CB -0.059 40.777 40.800 0.060 0.000 0.957 473 D HN 0.455 nan 8.370 nan 0.000 0.509 474 N N 0.689 119.438 118.700 0.081 0.000 2.458 474 N HA 0.268 5.008 4.740 0.002 0.000 0.270 474 N C -0.771 174.804 175.510 0.108 0.000 1.102 474 N CA -0.188 52.880 53.050 0.030 0.000 0.967 474 N CB 0.534 39.014 38.487 -0.011 0.000 1.078 474 N HN 0.090 nan 8.380 nan 0.000 0.471 475 Y N -1.304 118.981 120.300 -0.025 0.000 2.571 475 Y HA 0.734 5.285 4.550 0.002 0.000 0.341 475 Y C -1.683 174.197 175.900 -0.034 0.000 1.076 475 Y CA -1.263 56.819 58.100 -0.030 0.000 1.029 475 Y CB 0.910 39.349 38.460 -0.035 0.000 1.308 475 Y HN 0.102 nan 8.280 nan 0.000 0.461 476 V N 2.989 122.964 119.914 0.102 0.000 2.577 476 V HA 0.486 4.607 4.120 0.002 0.000 0.303 476 V C -0.729 175.428 176.094 0.106 0.000 1.042 476 V CA -0.945 61.372 62.300 0.029 0.000 0.872 476 V CB 1.589 33.399 31.823 -0.021 0.000 0.998 476 V HN 0.772 nan 8.190 nan 0.000 0.423 477 V N 5.947 125.919 119.914 0.097 0.000 2.432 477 V HA 0.418 4.539 4.120 0.002 0.000 0.275 477 V C -0.288 175.807 176.094 0.001 0.000 1.043 477 V CA -0.384 61.940 62.300 0.039 0.000 0.925 477 V CB 1.390 33.222 31.823 0.015 0.000 0.985 477 V HN 0.553 nan 8.190 nan 0.000 0.466 478 L N 4.267 125.487 121.223 -0.006 0.000 2.307 478 L HA 0.508 4.849 4.340 0.002 0.000 0.284 478 L C 0.365 177.235 176.870 -0.001 0.000 1.023 478 L CA 0.457 55.297 54.840 -0.002 0.000 0.810 478 L CB 1.969 44.033 42.059 0.007 0.000 1.231 478 L HN 0.635 nan 8.230 nan 0.000 0.423 479 S N 1.608 117.309 115.700 0.003 0.000 2.525 479 S HA 0.276 4.747 4.470 0.002 0.000 0.278 479 S C -0.505 174.112 174.600 0.027 0.000 1.234 479 S CA -0.419 57.790 58.200 0.015 0.000 1.058 479 S CB 0.706 63.911 63.200 0.008 0.000 0.983 479 S HN 0.703 nan 8.310 nan 0.000 0.495 480 D N 1.769 122.196 120.400 0.045 0.000 3.038 480 D HA -0.186 4.455 4.640 0.002 0.000 0.229 480 D C -0.161 176.164 176.300 0.041 0.000 1.182 480 D CA 0.438 54.470 54.000 0.054 0.000 0.852 480 D CB -1.269 39.569 40.800 0.063 0.000 0.932 480 D HN 0.564 nan 8.370 nan 0.000 0.406 481 I N -1.281 119.311 120.570 0.037 0.000 2.581 481 I HA 0.370 4.541 4.170 0.002 0.000 0.288 481 I C 0.963 177.093 176.117 0.022 0.000 1.047 481 I CA -1.068 60.247 61.300 0.025 0.000 1.374 481 I CB 0.637 38.647 38.000 0.017 0.000 1.423 481 I HN 0.072 nan 8.210 nan 0.000 0.549 482 L N 4.049 125.285 121.223 0.021 0.000 2.475 482 L HA 0.280 4.621 4.340 0.002 0.000 0.250 482 L C 1.888 178.754 176.870 -0.007 0.000 1.224 482 L CA 0.116 54.971 54.840 0.025 0.000 0.821 482 L CB 0.307 42.393 42.059 0.044 0.000 1.141 482 L HN 0.922 nan 8.230 nan 0.000 0.494 483 G N -0.784 108.023 108.800 0.011 0.000 2.442 483 G HA2 -0.225 3.736 3.960 0.002 0.000 0.219 483 G HA3 -0.225 3.736 3.960 0.002 0.000 0.219 483 G C 1.034 175.821 174.900 -0.188 0.000 1.141 483 G CA 0.553 45.603 45.100 -0.085 0.000 0.763 483 G HN 0.743 nan 8.290 nan 0.000 0.554 484 D N 0.634 121.095 120.400 0.100 0.000 2.144 484 D HA -0.051 4.590 4.640 0.002 0.000 0.200 484 D C 2.390 178.734 176.300 0.074 0.000 0.978 484 D CA 0.809 54.926 54.000 0.195 0.000 0.833 484 D CB -0.163 40.835 40.800 0.330 0.000 0.961 484 D HN 0.462 nan 8.370 nan 0.000 0.470 485 E N 0.141 120.356 120.200 0.026 0.000 2.274 485 E HA -0.126 4.225 4.350 0.002 0.000 0.194 485 E C 1.313 177.903 176.600 -0.016 0.000 0.996 485 E CA 0.490 56.896 56.400 0.010 0.000 0.840 485 E CB 0.202 29.912 29.700 0.015 0.000 0.772 485 E HN 0.160 nan 8.360 nan 0.000 0.491 486 D N 0.074 120.417 120.400 -0.094 0.000 2.120 486 D HA -0.098 4.543 4.640 0.002 0.000 0.202 486 D C 1.540 177.826 176.300 -0.023 0.000 0.972 486 D CA 1.227 55.163 54.000 -0.106 0.000 0.837 486 D CB 0.084 40.752 40.800 -0.220 0.000 0.989 486 D HN 0.297 nan 8.370 nan 0.000 0.469 487 H N -0.779 118.352 119.070 0.101 0.000 2.395 487 H HA 0.142 4.699 4.556 0.002 0.000 0.299 487 H C 1.678 177.074 175.328 0.113 0.000 1.070 487 H CA 0.638 56.755 56.048 0.114 0.000 1.356 487 H CB 0.307 30.153 29.762 0.140 0.000 1.401 487 H HN 0.121 nan 8.280 nan 0.000 0.524 488 L N 0.339 121.665 121.223 0.171 0.000 2.567 488 L HA 0.203 4.544 4.340 0.002 0.000 0.225 488 L C 1.509 178.408 176.870 0.049 0.000 1.119 488 L CA -0.259 54.627 54.840 0.078 0.000 0.871 488 L CB 0.276 42.325 42.059 -0.015 0.000 1.036 488 L HN 0.180 nan 8.230 nan 0.000 0.459 489 G N -0.816 108.018 108.800 0.057 0.000 2.510 489 G HA2 0.123 4.084 3.960 0.002 0.000 0.280 489 G HA3 0.123 4.084 3.960 0.002 0.000 0.280 489 G C -0.094 174.839 174.900 0.054 0.000 1.386 489 G CA -0.223 44.902 45.100 0.042 0.000 1.047 489 G HN -0.028 nan 8.290 nan 0.000 0.527 490 D N -0.913 119.514 120.400 0.045 0.000 2.417 490 D HA 0.156 4.797 4.640 0.002 0.000 0.207 490 D C 0.946 177.276 176.300 0.051 0.000 1.075 490 D CA 0.534 54.560 54.000 0.044 0.000 0.851 490 D CB 0.468 41.285 40.800 0.029 0.000 0.976 490 D HN 0.471 nan 8.370 nan 0.000 0.505 491 M N -1.416 118.220 119.600 0.059 0.000 2.682 491 M HA 0.467 4.948 4.480 0.002 0.000 0.272 491 M C -2.135 174.217 176.300 0.087 0.000 1.232 491 M CA -0.862 54.486 55.300 0.079 0.000 0.849 491 M CB 3.074 35.737 32.600 0.105 0.000 1.695 491 M HN -0.428 nan 8.290 nan 0.000 0.481 492 D N 1.649 122.104 120.400 0.092 0.000 2.471 492 D HA 0.498 5.139 4.640 0.002 0.000 0.245 492 D C -2.210 174.157 176.300 0.112 0.000 1.116 492 D CA 0.018 54.069 54.000 0.085 0.000 0.853 492 D CB 1.471 42.295 40.800 0.039 0.000 1.123 492 D HN 0.613 nan 8.370 nan 0.000 0.540 493 F N 3.649 123.587 119.950 -0.021 0.000 2.434 493 F HA 0.370 4.898 4.527 0.002 0.000 0.367 493 F C -0.406 175.379 175.800 -0.025 0.000 1.093 493 F CA -0.754 57.231 58.000 -0.024 0.000 1.085 493 F CB 0.644 39.631 39.000 -0.022 0.000 1.322 493 F HN -0.031 nan 8.300 nan 0.000 0.452 494 K N 5.136 125.474 120.400 -0.103 0.000 2.213 494 K HA 0.684 5.005 4.320 0.002 0.000 0.270 494 K C -1.278 175.267 176.600 -0.091 0.000 1.002 494 K CA -0.832 55.424 56.287 -0.052 0.000 0.868 494 K CB 2.399 34.846 32.500 -0.089 0.000 1.093 494 K HN 0.285 nan 8.250 nan 0.000 0.454 495 V N 1.846 121.765 119.914 0.009 0.000 2.531 495 V HA 0.675 4.796 4.120 0.002 0.000 0.301 495 V C -0.657 175.440 176.094 0.004 0.000 1.034 495 V CA -0.939 61.365 62.300 0.008 0.000 0.865 495 V CB 1.564 33.443 31.823 0.093 0.000 0.995 495 V HN 0.911 nan 8.190 nan 0.000 0.424 496 A N 3.013 125.820 122.820 -0.020 0.000 2.380 496 A HA 1.086 5.407 4.320 0.002 0.000 0.315 496 A C 0.092 177.668 177.584 -0.015 0.000 1.101 496 A CA -0.059 51.966 52.037 -0.020 0.000 0.771 496 A CB 2.050 21.026 19.000 -0.041 0.000 1.287 496 A HN 1.763 nan 8.150 nan 0.000 0.436 497 G N -0.546 108.248 108.800 -0.011 0.000 2.313 497 G HA2 0.581 4.542 3.960 0.002 0.000 0.296 497 G HA3 0.581 4.542 3.960 0.002 0.000 0.296 497 G C -0.227 174.669 174.900 -0.007 0.000 1.356 497 G CA 0.234 45.328 45.100 -0.009 0.000 0.833 497 G HN 1.739 nan 8.290 nan 0.000 0.552 498 S N -0.720 114.976 115.700 -0.007 0.000 2.566 498 S HA 0.456 4.926 4.470 0.002 0.000 0.277 498 S C 1.347 175.947 174.600 0.000 0.000 1.150 498 S CA -0.220 57.976 58.200 -0.007 0.000 1.032 498 S CB 1.090 64.283 63.200 -0.011 0.000 1.157 498 S HN 0.695 nan 8.310 nan 0.000 0.507 499 R N 0.243 120.744 120.500 0.001 0.000 2.189 499 R HA 0.035 4.376 4.340 0.002 0.000 0.218 499 R C 0.519 176.823 176.300 0.006 0.000 1.074 499 R CA 1.202 57.306 56.100 0.006 0.000 0.991 499 R CB -0.276 30.026 30.300 0.005 0.000 0.883 499 R HN 0.614 nan 8.270 nan 0.000 0.457 500 D N -1.058 119.344 120.400 0.002 0.000 2.389 500 D HA 0.164 4.805 4.640 0.002 0.000 0.206 500 D C 0.735 177.035 176.300 0.001 0.000 1.055 500 D CA 0.598 54.599 54.000 0.002 0.000 0.856 500 D CB 1.234 42.034 40.800 -0.000 0.000 0.957 500 D HN 0.279 nan 8.370 nan 0.000 0.509 501 G N -0.146 108.654 108.800 -0.000 0.000 2.340 501 G HA2 0.415 4.376 3.960 0.002 0.000 0.299 501 G HA3 0.415 4.376 3.960 0.002 0.000 0.299 501 G C -1.705 173.192 174.900 -0.004 0.000 1.291 501 G CA -0.860 44.238 45.100 -0.003 0.000 0.841 501 G HN -0.009 nan 8.290 nan 0.000 0.500 502 I N 1.633 122.196 120.570 -0.010 0.000 2.336 502 I HA 0.283 4.454 4.170 0.002 0.000 0.292 502 I C 1.426 177.532 176.117 -0.019 0.000 0.991 502 I CA -0.402 60.890 61.300 -0.012 0.000 1.227 502 I CB 2.103 40.096 38.000 -0.012 0.000 1.366 502 I HN 0.609 nan 8.210 nan 0.000 0.466 503 S N 4.236 119.924 115.700 -0.019 0.000 2.456 503 S HA 0.407 4.878 4.470 0.002 0.000 0.224 503 S C 0.649 175.233 174.600 -0.028 0.000 1.035 503 S CA 0.083 58.272 58.200 -0.019 0.000 0.940 503 S CB 0.404 63.595 63.200 -0.015 0.000 0.799 503 S HN 0.688 nan 8.310 nan 0.000 0.508 504 A N 0.635 123.431 122.820 -0.041 0.000 2.517 504 A HA 0.738 5.059 4.320 0.002 0.000 0.297 504 A C -1.690 175.845 177.584 -0.080 0.000 1.050 504 A CA -0.635 51.365 52.037 -0.060 0.000 0.694 504 A CB 1.573 20.531 19.000 -0.070 0.000 1.277 504 A HN 0.517 nan 8.150 nan 0.000 0.400 505 L N 1.175 122.334 121.223 -0.106 0.000 2.406 505 L HA 0.664 5.005 4.340 0.002 0.000 0.272 505 L C -0.616 176.127 176.870 -0.211 0.000 0.980 505 L CA 0.100 54.837 54.840 -0.170 0.000 0.831 505 L CB 1.850 43.812 42.059 -0.162 0.000 1.253 505 L HN 0.801 nan 8.230 nan 0.000 0.406 506 Q N 5.263 124.898 119.800 -0.276 0.000 2.321 506 Q HA 0.653 4.994 4.340 0.002 0.000 0.270 506 Q C -1.728 174.059 176.000 -0.355 0.000 1.032 506 Q CA -0.612 55.042 55.803 -0.248 0.000 0.784 506 Q CB 1.998 30.635 28.738 -0.168 0.000 1.264 506 Q HN 0.769 nan 8.270 nan 0.000 0.448 507 M N 2.753 122.179 119.600 -0.290 0.000 2.321 507 M HA 0.438 4.919 4.480 0.002 0.000 0.315 507 M C -1.324 174.917 176.300 -0.098 0.000 1.052 507 M CA -0.635 54.513 55.300 -0.253 0.000 0.936 507 M CB 1.996 34.442 32.600 -0.257 0.000 1.639 507 M HN 0.368 nan 8.290 nan 0.000 0.433 508 D N 4.764 125.143 120.400 -0.035 0.000 2.389 508 D HA 0.437 5.078 4.640 0.002 0.000 0.256 508 D C -1.005 175.317 176.300 0.037 0.000 1.239 508 D CA -0.106 53.898 54.000 0.005 0.000 0.925 508 D CB 1.528 42.338 40.800 0.016 0.000 1.145 508 D HN 0.472 nan 8.370 nan 0.000 0.542 509 I N 1.566 122.155 120.570 0.032 0.000 2.331 509 I HA 0.195 4.366 4.170 0.002 0.000 0.292 509 I C 1.553 177.692 176.117 0.037 0.000 0.998 509 I CA -0.421 60.902 61.300 0.038 0.000 1.267 509 I CB 1.636 39.649 38.000 0.022 0.000 1.386 509 I HN -0.071 nan 8.210 nan 0.000 0.476 510 K N 6.117 126.544 120.400 0.045 0.000 2.374 510 K HA 0.291 4.612 4.320 0.002 0.000 0.196 510 K C 0.095 176.717 176.600 0.037 0.000 1.023 510 K CA 0.353 56.673 56.287 0.054 0.000 1.103 510 K CB 0.167 32.711 32.500 0.074 0.000 0.848 510 K HN 0.609 nan 8.250 nan 0.000 0.528 511 I N -2.424 118.156 120.570 0.017 0.000 2.892 511 I HA 0.373 4.544 4.170 0.002 0.000 0.306 511 I C -0.589 175.515 176.117 -0.022 0.000 1.078 511 I CA -1.149 60.151 61.300 0.000 0.000 1.032 511 I CB 1.854 39.855 38.000 0.002 0.000 1.229 511 I HN -0.198 nan 8.210 nan 0.000 0.435 512 E N 1.758 121.937 120.200 -0.035 0.000 2.349 512 E HA 0.468 4.819 4.350 0.002 0.000 0.262 512 E C 0.504 177.077 176.600 -0.045 0.000 1.088 512 E CA 0.134 56.505 56.400 -0.048 0.000 0.899 512 E CB 1.145 30.809 29.700 -0.059 0.000 1.044 512 E HN 1.096 nan 8.360 nan 0.000 0.420 513 G N 1.960 110.728 108.800 -0.053 0.000 2.131 513 G HA2 -0.256 3.705 3.960 0.002 0.000 0.223 513 G HA3 -0.256 3.705 3.960 0.002 0.000 0.223 513 G C 0.107 174.962 174.900 -0.075 0.000 0.990 513 G CA -0.183 44.885 45.100 -0.054 0.000 0.671 513 G HN 0.517 nan 8.290 nan 0.000 0.521 514 I N 1.261 121.778 120.570 -0.088 0.000 2.754 514 I HA 0.472 4.643 4.170 0.002 0.000 0.285 514 I C 0.536 176.575 176.117 -0.129 0.000 1.166 514 I CA 0.534 61.765 61.300 -0.115 0.000 1.417 514 I CB 0.848 38.795 38.000 -0.088 0.000 1.382 514 I HN 0.125 nan 8.210 nan 0.000 0.588 515 T N 6.392 120.850 114.554 -0.160 0.000 2.908 515 T HA 0.193 4.544 4.350 0.002 0.000 0.290 515 T C 0.748 175.375 174.700 -0.122 0.000 1.034 515 T CA -0.717 61.301 62.100 -0.137 0.000 1.010 515 T CB 2.005 70.785 68.868 -0.147 0.000 1.068 515 T HN 0.620 nan 8.240 nan 0.000 0.481 516 K N 1.293 121.646 120.400 -0.079 0.000 2.074 516 K HA -0.191 4.130 4.320 0.002 0.000 0.209 516 K C 1.984 178.552 176.600 -0.054 0.000 1.048 516 K CA 1.844 58.101 56.287 -0.049 0.000 0.926 516 K CB 0.025 32.513 32.500 -0.020 0.000 0.713 516 K HN 0.740 nan 8.250 nan 0.000 0.444 517 E N 0.592 120.754 120.200 -0.063 0.000 2.077 517 E HA -0.204 4.147 4.350 0.002 0.000 0.193 517 E C 2.013 178.547 176.600 -0.109 0.000 0.989 517 E CA 1.383 57.753 56.400 -0.051 0.000 0.800 517 E CB -0.117 29.576 29.700 -0.013 0.000 0.746 517 E HN 0.387 nan 8.360 nan 0.000 0.452 518 I N 0.577 120.999 120.570 -0.247 0.000 2.226 518 I HA -0.301 3.870 4.170 0.002 0.000 0.245 518 I C 2.666 178.621 176.117 -0.270 0.000 1.100 518 I CA 1.121 62.189 61.300 -0.386 0.000 1.374 518 I CB -0.219 37.438 38.000 -0.572 0.000 1.057 518 I HN 0.233 nan 8.210 nan 0.000 0.413 519 M N -0.330 119.161 119.600 -0.182 0.000 2.229 519 M HA -0.243 4.238 4.480 0.002 0.000 0.264 519 M C 2.393 178.640 176.300 -0.089 0.000 1.063 519 M CA 1.652 56.883 55.300 -0.116 0.000 1.114 519 M CB -0.414 32.221 32.600 0.059 0.000 1.387 519 M HN 0.283 nan 8.290 nan 0.000 0.420 520 Q N 0.334 120.098 119.800 -0.059 0.000 2.079 520 Q HA -0.128 4.213 4.340 0.002 0.000 0.200 520 Q C 1.916 177.891 176.000 -0.043 0.000 0.974 520 Q CA 1.395 57.183 55.803 -0.025 0.000 0.840 520 Q CB 0.146 28.880 28.738 -0.007 0.000 0.898 520 Q HN 0.335 nan 8.270 nan 0.000 0.430 521 V N 0.868 120.747 119.914 -0.059 0.000 2.358 521 V HA -0.249 3.871 4.120 0.002 0.000 0.246 521 V C 2.323 178.353 176.094 -0.106 0.000 1.047 521 V CA 1.708 63.983 62.300 -0.041 0.000 1.035 521 V CB -1.010 30.833 31.823 0.033 0.000 0.658 521 V HN 0.518 nan 8.190 nan 0.000 0.452 522 A N -0.286 122.387 122.820 -0.245 0.000 1.902 522 A HA -0.161 4.160 4.320 0.002 0.000 0.217 522 A C 2.225 179.657 177.584 -0.253 0.000 1.181 522 A CA 1.794 53.572 52.037 -0.433 0.000 0.623 522 A CB -0.528 17.810 19.000 -1.104 0.000 0.818 522 A HN 0.493 nan 8.150 nan 0.000 0.443 523 L N -0.687 120.465 121.223 -0.117 0.000 2.093 523 L HA -0.179 4.162 4.340 0.002 0.000 0.208 523 L C 2.506 179.396 176.870 0.033 0.000 1.085 523 L CA 1.603 56.482 54.840 0.064 0.000 0.755 523 L CB -0.460 41.665 42.059 0.110 0.000 0.904 523 L HN 0.542 nan 8.230 nan 0.000 0.435 524 N N -0.241 118.461 118.700 0.002 0.000 2.142 524 N HA -0.241 4.500 4.740 0.002 0.000 0.186 524 N C 1.897 177.410 175.510 0.006 0.000 1.023 524 N CA 1.215 54.270 53.050 0.007 0.000 0.852 524 N CB 0.030 38.519 38.487 0.002 0.000 0.998 524 N HN 0.228 nan 8.380 nan 0.000 0.424 525 Q N -0.801 118.992 119.800 -0.011 0.000 2.172 525 Q HA 0.040 4.381 4.340 0.002 0.000 0.200 525 Q C 1.767 177.774 176.000 0.011 0.000 0.964 525 Q CA 1.136 56.934 55.803 -0.008 0.000 0.855 525 Q CB -0.131 28.591 28.738 -0.027 0.000 0.918 525 Q HN 0.506 nan 8.270 nan 0.000 0.444 526 A N 0.971 123.804 122.820 0.022 0.000 1.969 526 A HA -0.195 4.126 4.320 0.002 0.000 0.218 526 A C 1.948 179.567 177.584 0.060 0.000 1.169 526 A CA 1.482 53.554 52.037 0.059 0.000 0.635 526 A CB -0.392 18.675 19.000 0.111 0.000 0.810 526 A HN 0.306 nan 8.150 nan 0.000 0.445 527 K N -0.554 119.875 120.400 0.048 0.000 2.025 527 K HA -0.088 4.233 4.320 0.002 0.000 0.207 527 K C 2.071 178.699 176.600 0.048 0.000 1.049 527 K CA 1.345 57.659 56.287 0.044 0.000 0.933 527 K CB -0.556 31.965 32.500 0.035 0.000 0.714 527 K HN 0.358 nan 8.250 nan 0.000 0.438 528 G N 0.410 109.235 108.800 0.042 0.000 2.442 528 G HA2 -0.266 3.695 3.960 0.002 0.000 0.219 528 G HA3 -0.266 3.695 3.960 0.002 0.000 0.219 528 G C 1.541 176.486 174.900 0.076 0.000 1.141 528 G CA 0.985 46.113 45.100 0.048 0.000 0.763 528 G HN 0.455 nan 8.290 nan 0.000 0.554 529 A N 1.634 124.497 122.820 0.072 0.000 1.877 529 A HA -0.062 4.259 4.320 0.002 0.000 0.216 529 A C 2.380 180.047 177.584 0.139 0.000 1.186 529 A CA 2.011 54.110 52.037 0.103 0.000 0.620 529 A CB -0.432 18.617 19.000 0.081 0.000 0.822 529 A HN 0.518 nan 8.150 nan 0.000 0.443 530 R N -0.334 120.225 120.500 0.098 0.000 2.148 530 R HA 0.143 4.484 4.340 0.002 0.000 0.223 530 R C 1.702 178.045 176.300 0.072 0.000 1.088 530 R CA 1.280 57.428 56.100 0.080 0.000 0.985 530 R CB -0.601 29.730 30.300 0.052 0.000 0.880 530 R HN 0.419 nan 8.270 nan 0.000 0.451 531 L N 0.444 121.714 121.223 0.078 0.000 2.141 531 L HA -0.118 4.223 4.340 0.002 0.000 0.209 531 L C 2.682 179.606 176.870 0.089 0.000 1.094 531 L CA 1.607 56.488 54.840 0.068 0.000 0.763 531 L CB -0.545 41.551 42.059 0.062 0.000 0.908 531 L HN 0.357 nan 8.230 nan 0.000 0.437 532 H N 0.319 119.411 119.070 0.036 0.000 2.357 532 H HA -0.117 4.439 4.556 0.002 0.000 0.301 532 H C 2.132 177.493 175.328 0.056 0.000 1.082 532 H CA 1.716 57.788 56.048 0.040 0.000 1.342 532 H CB 0.028 29.813 29.762 0.037 0.000 1.389 532 H HN 0.194 nan 8.280 nan 0.000 0.511 533 I N -0.093 120.461 120.570 -0.027 0.000 2.252 533 I HA -0.225 3.946 4.170 0.002 0.000 0.245 533 I C 2.198 178.303 176.117 -0.020 0.000 1.102 533 I CA 0.927 62.212 61.300 -0.025 0.000 1.385 533 I CB -0.219 37.855 38.000 0.125 0.000 1.064 533 I HN 0.256 nan 8.210 nan 0.000 0.414 534 L N 0.523 121.744 121.223 -0.005 0.000 2.131 534 L HA -0.151 4.190 4.340 0.002 0.000 0.210 534 L C 2.644 179.502 176.870 -0.019 0.000 1.092 534 L CA 1.489 56.325 54.840 -0.007 0.000 0.759 534 L CB -1.017 41.042 42.059 0.000 0.000 0.903 534 L HN 0.329 nan 8.230 nan 0.000 0.435 535 G N -0.583 108.193 108.800 -0.039 0.000 2.418 535 G HA2 -0.182 3.779 3.960 0.002 0.000 0.217 535 G HA3 -0.182 3.779 3.960 0.002 0.000 0.217 535 G C 1.547 176.414 174.900 -0.055 0.000 1.158 535 G CA 0.936 46.011 45.100 -0.041 0.000 0.771 535 G HN 0.222 nan 8.290 nan 0.000 0.545 536 V N 0.850 120.705 119.914 -0.098 0.000 2.453 536 V HA -0.117 4.004 4.120 0.002 0.000 0.247 536 V C 2.836 178.927 176.094 -0.004 0.000 1.048 536 V CA 1.805 64.064 62.300 -0.068 0.000 1.049 536 V CB -0.396 31.360 31.823 -0.112 0.000 0.672 536 V HN 0.341 nan 8.190 nan 0.000 0.457 537 M N -0.417 119.195 119.600 0.020 0.000 2.159 537 M HA -0.196 4.284 4.480 0.002 0.000 0.263 537 M C 2.189 178.499 176.300 0.017 0.000 1.063 537 M CA 1.795 57.120 55.300 0.042 0.000 1.110 537 M CB -0.444 32.178 32.600 0.036 0.000 1.374 537 M HN 0.349 nan 8.290 nan 0.000 0.411 538 E N 0.037 120.238 120.200 0.002 0.000 2.110 538 E HA -0.219 4.132 4.350 0.002 0.000 0.193 538 E C 2.043 178.643 176.600 -0.000 0.000 0.988 538 E CA 1.037 57.436 56.400 -0.002 0.000 0.804 538 E CB -0.077 29.620 29.700 -0.005 0.000 0.745 538 E HN 0.569 nan 8.360 nan 0.000 0.458 539 Q N -0.124 119.675 119.800 -0.001 0.000 2.181 539 Q HA -0.180 4.161 4.340 0.002 0.000 0.205 539 Q C 2.069 178.071 176.000 0.004 0.000 0.980 539 Q CA 1.304 57.107 55.803 0.000 0.000 0.862 539 Q CB -0.074 28.662 28.738 -0.003 0.000 0.905 539 Q HN 0.231 nan 8.270 nan 0.000 0.429 540 A N 0.394 123.221 122.820 0.010 0.000 1.850 540 A HA 0.144 4.465 4.320 0.002 0.000 0.212 540 A C 1.091 178.681 177.584 0.010 0.000 1.208 540 A CA 0.549 52.594 52.037 0.014 0.000 0.609 540 A CB 0.336 19.352 19.000 0.028 0.000 0.860 540 A HN 0.348 nan 8.150 nan 0.000 0.448 541 I N -0.810 119.765 120.570 0.008 0.000 2.680 541 I HA 0.303 4.474 4.170 0.002 0.000 0.291 541 I C -1.118 174.996 176.117 -0.005 0.000 1.244 541 I CA -0.670 60.630 61.300 0.001 0.000 1.042 541 I CB 2.003 40.004 38.000 0.001 0.000 1.277 541 I HN 0.385 nan 8.210 nan 0.000 0.423 542 N N 5.429 124.123 118.700 -0.010 0.000 2.143 542 N HA 0.568 5.309 4.740 0.002 0.000 0.222 542 N C -0.673 174.825 175.510 -0.020 0.000 1.264 542 N CA -0.109 52.933 53.050 -0.013 0.000 0.897 542 N CB 1.474 39.955 38.487 -0.010 0.000 1.092 542 N HN 0.516 nan 8.380 nan 0.000 0.516 543 A N 0.150 122.956 122.820 -0.023 0.000 2.574 543 A HA 0.683 5.004 4.320 0.002 0.000 0.297 543 A C -3.042 174.519 177.584 -0.039 0.000 1.062 543 A CA -1.271 50.747 52.037 -0.032 0.000 0.686 543 A CB 0.799 19.784 19.000 -0.026 0.000 1.285 543 A HN 0.011 nan 8.150 nan 0.000 0.403 544 P HA 0.246 nan 4.420 nan 0.000 0.269 544 P C -0.016 177.253 177.300 -0.051 0.000 1.209 544 P CA -0.070 62.989 63.100 -0.069 0.000 0.776 544 P CB 0.464 32.099 31.700 -0.108 0.000 0.876 545 R N 0.000 120.472 120.500 -0.046 0.000 2.786 545 R HA 0.000 4.341 4.340 0.002 0.000 0.208 545 R CA 0.000 56.081 56.100 -0.032 0.000 0.921 545 R CB 0.000 30.286 30.300 -0.023 0.000 0.687 545 R HN 0.000 nan 8.270 nan 0.000 0.535