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 2cbj_1_A DATA FIRST_RESID 40 DATA SEQUENCE QVLVPNLNPT PENLEVVGDG FKITSSINLV GEEEADENAV NALREFLTAN DATA SEQUENCE NIEINSENDP NSTTLIIGEV DDDIPELDEA LNGTTAENLK EEGYALVSND DATA SEQUENCE GKIAIEGKDG DGTFYGVQTF KQLVKESNIP EVNITDYPTV SARGIVEGFY DATA SEQUENCE GTPWTHQDRL DQIKFYGENK LNTYIYAPKD DPYHREKWRE PYPESEMQRM DATA SEQUENCE QELINASAEN KVDFVFGISP GIDIRFDGDA GEEDFNHLIT KAESLYDMGV DATA SEQUENCE RSFAIYWDDI QDKSAAKHAQ VLNRFNEEFV KAKGDVKPLI TVPTEYDTGA DATA SEQUENCE MVSNGQPRAY TRIFAETVDP SIEVMWTGPG VVTNEIPLSD AQLISGIYNR DATA SEQUENCE NMAVWWNYPV TDYFKGKLAL GPMHGLDKGL NQYVDFFTVN PMEHAELSKI DATA SEQUENCE SIHTAADYSW NMDNYDYDKA WNRAIDMLYG DLAEDMKVFA NHSTRMDNKT DATA SEQUENCE WAKSGREDAP ELRAKMDELW NKLSSKEDAS ALIEELYGEF ARMEEACNNL DATA SEQUENCE KANLPEVALE ECSRQLDELI TLAQGDKASL DMIVAQLNED TEAYESAKEI DATA SEQUENCE AQNKLNTALS SFAVISEKVA QSFIQEALSF DLTLI 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 40 Q HA 0.000 nan 4.340 nan 0.000 0.214 40 Q C 0.000 175.963 176.000 -0.062 0.000 1.003 40 Q CA 0.000 55.753 55.803 -0.083 0.000 1.022 40 Q CB 0.000 28.704 28.738 -0.057 0.000 1.108 41 V N 0.658 120.553 119.914 -0.032 0.000 2.352 41 V HA -0.338 3.778 4.120 -0.007 0.000 0.247 41 V C 1.020 177.104 176.094 -0.016 0.000 1.073 41 V CA 2.595 64.888 62.300 -0.011 0.000 1.104 41 V CB -0.784 31.037 31.823 -0.003 0.000 0.847 41 V HN 0.641 nan 8.190 nan 0.000 0.472 42 L N -0.374 120.835 121.223 -0.023 0.000 2.334 42 L HA 0.348 4.683 4.340 -0.007 0.000 0.277 42 L C -0.247 176.604 176.870 -0.032 0.000 1.075 42 L CA -0.536 54.291 54.840 -0.021 0.000 0.804 42 L CB 1.413 43.461 42.059 -0.018 0.000 1.174 42 L HN -0.007 nan 8.230 nan 0.000 0.438 43 V N 3.589 123.488 119.914 -0.025 0.000 2.470 43 V HA 0.119 4.235 4.120 -0.007 0.000 0.276 43 V C -1.693 174.381 176.094 -0.032 0.000 1.040 43 V CA -1.209 61.072 62.300 -0.031 0.000 1.008 43 V CB 0.187 31.999 31.823 -0.018 0.000 0.990 43 V HN 0.659 nan 8.190 nan 0.000 0.477 44 P HA 0.122 nan 4.420 nan 0.000 0.271 44 P C -0.069 177.214 177.300 -0.028 0.000 1.244 44 P CA -0.600 62.477 63.100 -0.039 0.000 0.793 44 P CB 0.300 31.966 31.700 -0.056 0.000 0.984 45 N N 0.563 119.253 118.700 -0.016 0.000 2.294 45 N HA -0.016 4.720 4.740 -0.007 0.000 0.263 45 N C -0.424 175.083 175.510 -0.004 0.000 1.281 45 N CA 0.744 53.794 53.050 0.001 0.000 0.846 45 N CB -0.294 38.200 38.487 0.013 0.000 1.061 45 N HN 0.270 nan 8.380 nan 0.000 0.478 46 L N 1.899 123.121 121.223 -0.001 0.000 2.354 46 L HA 0.502 4.838 4.340 -0.007 0.000 0.269 46 L C 0.069 176.928 176.870 -0.018 0.000 1.005 46 L CA -0.925 53.898 54.840 -0.028 0.000 0.819 46 L CB 1.842 43.874 42.059 -0.046 0.000 1.311 46 L HN 0.413 nan 8.230 nan 0.000 0.423 47 N N 1.560 120.210 118.700 -0.082 0.000 2.397 47 N HA 0.516 5.252 4.740 -0.007 0.000 0.291 47 N C -2.872 172.450 175.510 -0.315 0.000 1.065 47 N CA -1.295 51.659 53.050 -0.161 0.000 0.884 47 N CB 2.848 41.207 38.487 -0.215 0.000 1.551 47 N HN 0.143 nan 8.380 nan 0.000 0.487 48 P HA 0.177 nan 4.420 nan 0.000 0.275 48 P C -0.651 176.550 177.300 -0.165 0.000 1.266 48 P CA -0.264 62.677 63.100 -0.265 0.000 0.793 48 P CB 0.300 31.782 31.700 -0.363 0.000 1.074 49 T N 2.566 117.111 114.554 -0.015 0.000 2.769 49 T HA 0.207 4.553 4.350 -0.007 0.000 0.293 49 T C -2.167 172.566 174.700 0.055 0.000 0.931 49 T CA -0.697 61.419 62.100 0.026 0.000 1.139 49 T CB -0.757 68.150 68.868 0.065 0.000 0.881 49 T HN 0.295 nan 8.240 nan 0.000 0.532 50 P HA 0.111 nan 4.420 nan 0.000 0.268 50 P C 0.853 178.163 177.300 0.016 0.000 1.204 50 P CA -0.155 62.985 63.100 0.067 0.000 0.768 50 P CB 0.702 32.436 31.700 0.057 0.000 0.842 51 E N 3.402 123.567 120.200 -0.058 0.000 2.033 51 E HA -0.185 4.161 4.350 -0.007 0.000 0.199 51 E C 0.025 176.565 176.600 -0.099 0.000 1.011 51 E CA 1.783 58.066 56.400 -0.195 0.000 0.815 51 E CB -0.145 29.214 29.700 -0.568 0.000 0.755 51 E HN 0.408 nan 8.360 nan 0.000 0.451 52 N N 0.222 118.882 118.700 -0.067 0.000 2.491 52 N HA 0.273 5.009 4.740 -0.007 0.000 0.274 52 N C -1.279 174.233 175.510 0.003 0.000 1.023 52 N CA -0.367 52.674 53.050 -0.016 0.000 0.902 52 N CB 1.813 40.305 38.487 0.009 0.000 1.267 52 N HN 0.143 nan 8.380 nan 0.000 0.503 53 L N 0.736 121.966 121.223 0.012 0.000 2.385 53 L HA 0.549 4.885 4.340 -0.007 0.000 0.273 53 L C -0.773 176.111 176.870 0.024 0.000 0.990 53 L CA -0.452 54.403 54.840 0.025 0.000 0.821 53 L CB 2.192 44.267 42.059 0.026 0.000 1.279 53 L HN 0.428 nan 8.230 nan 0.000 0.412 54 E N 3.241 123.460 120.200 0.031 0.000 2.272 54 E HA 0.424 4.770 4.350 -0.007 0.000 0.269 54 E C -1.503 175.118 176.600 0.035 0.000 0.877 54 E CA -0.847 55.571 56.400 0.029 0.000 0.755 54 E CB 2.551 32.269 29.700 0.029 0.000 1.192 54 E HN 0.488 nan 8.360 nan 0.000 0.422 55 V N 4.595 124.527 119.914 0.030 0.000 2.455 55 V HA 0.057 4.173 4.120 -0.007 0.000 0.273 55 V C 1.047 177.164 176.094 0.038 0.000 1.045 55 V CA -0.036 62.285 62.300 0.034 0.000 0.976 55 V CB 0.894 32.732 31.823 0.025 0.000 0.993 55 V HN 0.659 nan 8.190 nan 0.000 0.475 56 V N 1.741 121.685 119.914 0.050 0.000 3.477 56 V HA 0.774 4.890 4.120 -0.007 0.000 0.297 56 V C 0.614 176.741 176.094 0.054 0.000 1.433 56 V CA 0.851 63.181 62.300 0.050 0.000 1.052 56 V CB 0.017 31.872 31.823 0.054 0.000 0.895 56 V HN 0.916 nan 8.190 nan 0.000 0.438 57 G N -0.441 108.397 108.800 0.063 0.000 2.664 57 G HA2 0.398 4.354 3.960 -0.007 0.000 0.303 57 G HA3 0.398 4.354 3.960 -0.007 0.000 0.303 57 G C -0.898 174.043 174.900 0.069 0.000 1.243 57 G CA 0.396 45.538 45.100 0.070 0.000 0.826 57 G HN -0.057 nan 8.290 nan 0.000 0.498 58 D N -0.275 120.174 120.400 0.083 0.000 2.366 58 D HA 0.398 5.034 4.640 -0.007 0.000 0.205 58 D C 1.242 177.588 176.300 0.076 0.000 1.022 58 D CA 1.540 55.581 54.000 0.069 0.000 0.868 58 D CB 0.773 41.610 40.800 0.061 0.000 0.953 58 D HN 1.243 nan 8.370 nan 0.000 0.514 59 G N 0.608 109.484 108.800 0.126 0.000 2.629 59 G HA2 0.110 4.065 3.960 -0.007 0.000 0.686 59 G HA3 0.110 4.065 3.960 -0.007 0.000 0.686 59 G C -0.727 174.290 174.900 0.194 0.000 1.232 59 G CA -0.538 44.614 45.100 0.087 0.000 0.803 59 G HN 0.196 nan 8.290 nan 0.000 0.638 60 F N -1.644 118.319 119.950 0.022 0.000 2.668 60 F HA 0.872 5.395 4.527 -0.007 0.000 0.309 60 F C -0.512 175.304 175.800 0.026 0.000 1.117 60 F CA -1.551 56.463 58.000 0.024 0.000 0.951 60 F CB 1.883 40.900 39.000 0.028 0.000 1.323 60 F HN 0.568 nan 8.300 nan 0.000 0.451 61 K N 2.860 123.371 120.400 0.184 0.000 2.253 61 K HA 0.535 4.850 4.320 -0.007 0.000 0.277 61 K C -0.635 176.076 176.600 0.185 0.000 1.053 61 K CA -0.548 55.789 56.287 0.085 0.000 0.892 61 K CB 0.682 33.226 32.500 0.074 0.000 1.102 61 K HN 0.701 nan 8.250 nan 0.000 0.469 62 I N 3.844 124.478 120.570 0.107 0.000 2.710 62 I HA -0.080 4.086 4.170 -0.007 0.000 0.286 62 I C 1.144 177.341 176.117 0.133 0.000 1.181 62 I CA 0.133 61.543 61.300 0.183 0.000 1.430 62 I CB 0.660 38.749 38.000 0.148 0.000 1.367 62 I HN 0.693 nan 8.210 nan 0.000 0.577 63 T N 1.381 116.017 114.554 0.136 0.000 2.828 63 T HA 0.115 4.461 4.350 -0.007 0.000 0.290 63 T C 1.135 175.874 174.700 0.064 0.000 1.019 63 T CA -0.758 61.393 62.100 0.086 0.000 1.031 63 T CB 1.249 70.162 68.868 0.074 0.000 1.001 63 T HN 0.573 nan 8.240 nan 0.000 0.531 64 S N 0.854 116.579 115.700 0.041 0.000 2.399 64 S HA 0.016 4.482 4.470 -0.007 0.000 0.231 64 S C 1.130 175.745 174.600 0.026 0.000 1.022 64 S CA 0.962 59.178 58.200 0.026 0.000 0.983 64 S CB -0.394 62.814 63.200 0.014 0.000 0.803 64 S HN 0.997 nan 8.310 nan 0.000 0.480 65 S N 0.585 116.304 115.700 0.031 0.000 2.566 65 S HA 0.780 5.246 4.470 -0.007 0.000 0.298 65 S C -0.655 173.970 174.600 0.043 0.000 1.083 65 S CA -1.117 57.102 58.200 0.031 0.000 0.978 65 S CB 1.800 65.012 63.200 0.020 0.000 1.073 65 S HN 0.312 nan 8.310 nan 0.000 0.491 66 I N -1.265 119.332 120.570 0.045 0.000 2.892 66 I HA 0.617 4.783 4.170 -0.007 0.000 0.306 66 I C -0.997 175.139 176.117 0.031 0.000 1.078 66 I CA -1.132 60.198 61.300 0.051 0.000 1.032 66 I CB 1.587 39.633 38.000 0.077 0.000 1.229 66 I HN 0.466 nan 8.210 nan 0.000 0.435 67 N N 3.348 122.064 118.700 0.026 0.000 2.458 67 N HA 0.378 5.114 4.740 -0.007 0.000 0.270 67 N C -1.174 174.338 175.510 0.004 0.000 1.102 67 N CA -0.228 52.829 53.050 0.012 0.000 0.967 67 N CB 1.649 40.141 38.487 0.008 0.000 1.078 67 N HN 0.535 nan 8.380 nan 0.000 0.471 68 L N 3.423 124.644 121.223 -0.004 0.000 2.313 68 L HA 0.488 4.824 4.340 -0.007 0.000 0.283 68 L C -0.981 175.878 176.870 -0.018 0.000 1.013 68 L CA -0.728 54.101 54.840 -0.018 0.000 0.816 68 L CB 1.609 43.657 42.059 -0.018 0.000 1.236 68 L HN 0.188 nan 8.230 nan 0.000 0.419 69 V N 4.524 124.423 119.914 -0.025 0.000 2.540 69 V HA 0.784 4.900 4.120 -0.007 0.000 0.302 69 V C 0.708 176.788 176.094 -0.025 0.000 1.035 69 V CA 0.225 62.513 62.300 -0.019 0.000 0.873 69 V CB 1.144 32.959 31.823 -0.014 0.000 0.992 69 V HN 0.929 nan 8.190 nan 0.000 0.428 70 G N 3.413 112.202 108.800 -0.018 0.000 2.218 70 G HA2 -0.202 3.754 3.960 -0.007 0.000 0.216 70 G HA3 -0.202 3.754 3.960 -0.007 0.000 0.216 70 G C 0.521 175.412 174.900 -0.015 0.000 0.994 70 G CA 0.385 45.475 45.100 -0.016 0.000 0.637 70 G HN 0.733 nan 8.290 nan 0.000 0.505 71 E N 1.442 121.632 120.200 -0.018 0.000 2.068 71 E HA -0.188 4.158 4.350 -0.007 0.000 0.207 71 E C 2.205 178.801 176.600 -0.008 0.000 1.032 71 E CA 2.153 58.544 56.400 -0.015 0.000 0.839 71 E CB -0.417 29.276 29.700 -0.012 0.000 0.758 71 E HN 0.866 nan 8.360 nan 0.000 0.457 72 E N 0.574 120.771 120.200 -0.005 0.000 2.274 72 E HA -0.143 4.203 4.350 -0.007 0.000 0.194 72 E C 1.385 177.985 176.600 -0.001 0.000 0.996 72 E CA 1.129 57.528 56.400 -0.002 0.000 0.840 72 E CB -0.043 29.656 29.700 -0.002 0.000 0.772 72 E HN 0.335 nan 8.360 nan 0.000 0.491 73 E N 0.887 121.086 120.200 -0.001 0.000 2.389 73 E HA 0.225 4.571 4.350 -0.007 0.000 0.199 73 E C 0.386 176.988 176.600 0.003 0.000 0.978 73 E CA 0.318 56.719 56.400 0.001 0.000 0.912 73 E CB 0.685 30.386 29.700 0.001 0.000 0.907 73 E HN 0.322 nan 8.360 nan 0.000 0.494 74 A N 1.255 124.075 122.820 -0.000 0.000 2.271 74 A HA 0.107 4.423 4.320 -0.007 0.000 0.288 74 A C -0.031 177.556 177.584 0.005 0.000 1.094 74 A CA -0.588 51.450 52.037 0.001 0.000 0.828 74 A CB 0.316 19.311 19.000 -0.008 0.000 1.091 74 A HN 0.100 nan 8.150 nan 0.000 0.493 75 D N 0.252 120.658 120.400 0.011 0.000 2.586 75 D HA -0.063 4.573 4.640 -0.007 0.000 0.234 75 D C 0.828 177.143 176.300 0.025 0.000 1.132 75 D CA 0.566 54.578 54.000 0.019 0.000 0.860 75 D CB 0.546 41.364 40.800 0.029 0.000 1.159 75 D HN 0.597 nan 8.370 nan 0.000 0.490 76 E N 2.995 123.207 120.200 0.021 0.000 2.058 76 E HA -0.239 4.107 4.350 -0.007 0.000 0.194 76 E C 1.579 178.208 176.600 0.048 0.000 0.997 76 E CA 1.528 57.942 56.400 0.023 0.000 0.801 76 E CB -0.009 29.699 29.700 0.013 0.000 0.746 76 E HN 0.608 nan 8.360 nan 0.000 0.450 77 N N 0.537 119.279 118.700 0.069 0.000 2.188 77 N HA -0.101 4.635 4.740 -0.007 0.000 0.184 77 N C 1.814 177.472 175.510 0.247 0.000 1.018 77 N CA 0.862 53.999 53.050 0.144 0.000 0.858 77 N CB -0.093 38.448 38.487 0.089 0.000 0.989 77 N HN 0.100 nan 8.380 nan 0.000 0.426 78 A N 0.895 123.839 122.820 0.207 0.000 1.877 78 A HA -0.117 4.199 4.320 -0.007 0.000 0.216 78 A C 2.367 179.947 177.584 -0.007 0.000 1.186 78 A CA 1.335 53.425 52.037 0.088 0.000 0.620 78 A CB -0.945 18.078 19.000 0.039 0.000 0.822 78 A HN 0.103 nan 8.150 nan 0.000 0.443 79 V N 1.183 121.102 119.914 0.008 0.000 2.332 79 V HA -0.295 3.821 4.120 -0.007 0.000 0.248 79 V C 2.300 178.399 176.094 0.009 0.000 1.055 79 V CA 2.144 64.440 62.300 -0.008 0.000 1.038 79 V CB -1.110 30.712 31.823 -0.002 0.000 0.651 79 V HN 0.554 nan 8.190 nan 0.000 0.450 80 N N 0.852 119.572 118.700 0.032 0.000 2.084 80 N HA -0.131 4.604 4.740 -0.007 0.000 0.190 80 N C 1.966 177.502 175.510 0.043 0.000 1.030 80 N CA 1.828 54.903 53.050 0.041 0.000 0.849 80 N CB -0.658 37.861 38.487 0.054 0.000 1.012 80 N HN 0.495 nan 8.380 nan 0.000 0.423 81 A N 1.332 124.174 122.820 0.035 0.000 1.908 81 A HA -0.117 4.199 4.320 -0.007 0.000 0.218 81 A C 2.247 179.839 177.584 0.012 0.000 1.181 81 A CA 1.105 53.137 52.037 -0.009 0.000 0.627 81 A CB -0.792 18.106 19.000 -0.170 0.000 0.818 81 A HN 0.236 nan 8.150 nan 0.000 0.445 82 L N -0.016 121.199 121.223 -0.014 0.000 2.012 82 L HA -0.171 4.165 4.340 -0.007 0.000 0.210 82 L C 2.454 179.393 176.870 0.115 0.000 1.073 82 L CA 2.113 56.974 54.840 0.034 0.000 0.748 82 L CB -0.712 41.309 42.059 -0.064 0.000 0.891 82 L HN 0.377 nan 8.230 nan 0.000 0.431 83 R N -0.415 120.124 120.500 0.064 0.000 2.083 83 R HA -0.188 4.148 4.340 -0.007 0.000 0.237 83 R C 2.176 178.522 176.300 0.076 0.000 1.137 83 R CA 1.919 58.056 56.100 0.061 0.000 0.951 83 R CB -0.461 29.859 30.300 0.033 0.000 0.851 83 R HN 0.544 nan 8.270 nan 0.000 0.434 84 E N -0.171 120.077 120.200 0.080 0.000 2.077 84 E HA -0.211 4.135 4.350 -0.007 0.000 0.193 84 E C 1.712 178.368 176.600 0.092 0.000 0.989 84 E CA 1.131 57.573 56.400 0.069 0.000 0.800 84 E CB -0.173 29.566 29.700 0.065 0.000 0.746 84 E HN 0.242 nan 8.360 nan 0.000 0.452 85 F N 0.990 120.946 119.950 0.010 0.000 2.171 85 F HA -0.189 4.334 4.527 -0.007 0.000 0.300 85 F C 1.787 177.608 175.800 0.036 0.000 1.090 85 F CA 0.848 58.861 58.000 0.021 0.000 1.293 85 F CB 0.082 39.115 39.000 0.054 0.000 1.013 85 F HN -0.034 nan 8.300 nan 0.000 0.486 86 L N 0.177 121.454 121.223 0.090 0.000 2.005 86 L HA -0.151 4.185 4.340 -0.007 0.000 0.207 86 L C 2.540 179.357 176.870 -0.088 0.000 1.072 86 L CA 2.144 56.987 54.840 0.006 0.000 0.744 86 L CB -1.719 40.398 42.059 0.097 0.000 0.895 86 L HN 0.111 nan 8.230 nan 0.000 0.433 87 T N -0.021 114.505 114.554 -0.046 0.000 2.665 87 T HA -0.265 4.081 4.350 -0.007 0.000 0.268 87 T C 1.918 176.557 174.700 -0.101 0.000 1.035 87 T CA 1.642 63.709 62.100 -0.055 0.000 1.151 87 T CB -0.461 68.391 68.868 -0.027 0.000 0.862 87 T HN 0.420 nan 8.240 nan 0.000 0.438 88 A N 2.132 124.867 122.820 -0.141 0.000 1.933 88 A HA -0.077 4.239 4.320 -0.007 0.000 0.218 88 A C 1.909 179.356 177.584 -0.228 0.000 1.175 88 A CA 1.200 53.137 52.037 -0.168 0.000 0.628 88 A CB -0.356 18.545 19.000 -0.165 0.000 0.814 88 A HN 0.544 nan 8.150 nan 0.000 0.444 89 N N 0.321 118.812 118.700 -0.349 0.000 2.279 89 N HA 0.025 4.761 4.740 -0.007 0.000 0.226 89 N C -0.650 174.738 175.510 -0.203 0.000 1.126 89 N CA -0.050 52.795 53.050 -0.341 0.000 0.846 89 N CB 0.042 38.170 38.487 -0.598 0.000 1.050 89 N HN 0.373 nan 8.380 nan 0.000 0.502 90 N N 1.116 119.729 118.700 -0.145 0.000 2.727 90 N HA -0.181 4.555 4.740 -0.007 0.000 0.249 90 N C -0.810 174.662 175.510 -0.063 0.000 1.048 90 N CA 0.732 53.730 53.050 -0.086 0.000 0.714 90 N CB -1.024 37.421 38.487 -0.070 0.000 0.959 90 N HN 0.437 nan 8.380 nan 0.000 0.544 91 I N 0.848 121.380 120.570 -0.063 0.000 2.328 91 I HA 0.150 4.316 4.170 -0.007 0.000 0.287 91 I C 0.733 176.852 176.117 0.002 0.000 1.012 91 I CA -0.532 60.759 61.300 -0.015 0.000 1.195 91 I CB 1.385 39.394 38.000 0.015 0.000 1.350 91 I HN -0.029 nan 8.210 nan 0.000 0.464 92 E N 5.904 126.109 120.200 0.007 0.000 2.374 92 E HA 0.473 4.819 4.350 -0.007 0.000 0.260 92 E C -0.795 175.816 176.600 0.019 0.000 1.101 92 E CA -0.168 56.237 56.400 0.008 0.000 0.907 92 E CB 1.019 30.721 29.700 0.004 0.000 1.014 92 E HN 0.376 nan 8.360 nan 0.000 0.427 93 I N 2.957 123.535 120.570 0.014 0.000 2.404 93 I HA 0.263 4.428 4.170 -0.007 0.000 0.293 93 I C -0.264 175.859 176.117 0.011 0.000 0.992 93 I CA -1.021 60.288 61.300 0.015 0.000 1.149 93 I CB 1.429 39.436 38.000 0.012 0.000 1.315 93 I HN 0.313 nan 8.210 nan 0.000 0.446 94 N N 3.548 122.255 118.700 0.012 0.000 2.468 94 N HA -0.017 4.719 4.740 -0.007 0.000 0.265 94 N C 0.971 176.483 175.510 0.005 0.000 1.199 94 N CA 0.126 53.181 53.050 0.008 0.000 0.928 94 N CB 1.172 39.664 38.487 0.009 0.000 1.059 94 N HN 0.692 nan 8.380 nan 0.000 0.467 95 S N 0.901 116.603 115.700 0.003 0.000 2.650 95 S HA 0.107 4.573 4.470 -0.007 0.000 0.219 95 S C 0.761 175.362 174.600 0.001 0.000 0.960 95 S CA 0.416 58.617 58.200 0.002 0.000 0.925 95 S CB 0.191 63.392 63.200 0.001 0.000 0.775 95 S HN 0.592 nan 8.310 nan 0.000 0.525 96 E N -0.006 120.195 120.200 0.002 0.000 3.596 96 E HA 0.245 4.591 4.350 -0.007 0.000 0.188 96 E C 0.813 177.414 176.600 0.001 0.000 1.232 96 E CA -0.040 56.361 56.400 0.001 0.000 1.460 96 E CB 0.442 30.142 29.700 0.001 0.000 1.513 96 E HN 0.448 nan 8.360 nan 0.000 0.530 97 N N -0.753 117.948 118.700 0.002 0.000 2.615 97 N HA -0.170 4.566 4.740 -0.007 0.000 0.377 97 N C 0.181 175.693 175.510 0.003 0.000 0.847 97 N CA 0.543 53.595 53.050 0.002 0.000 2.190 97 N CB -0.782 37.705 38.487 -0.000 0.000 1.189 97 N HN 0.002 nan 8.380 nan 0.000 1.871 98 D N 2.344 122.745 120.400 0.001 0.000 2.156 98 D HA -0.081 4.555 4.640 -0.007 0.000 0.190 98 D C -1.480 174.821 176.300 0.002 0.000 0.998 98 D CA 1.645 55.645 54.000 0.000 0.000 0.842 98 D CB -1.531 39.267 40.800 -0.002 0.000 0.974 98 D HN 0.345 nan 8.370 nan 0.000 0.447 99 P HA -0.144 nan 4.420 nan 0.000 0.067 99 P C -0.617 176.685 177.300 0.004 0.000 0.748 99 P CA 0.507 63.609 63.100 0.004 0.000 0.984 99 P CB -2.079 29.625 31.700 0.006 0.000 1.664 100 N N -1.872 116.828 118.700 -0.001 0.000 2.702 100 N HA -0.233 4.503 4.740 -0.007 0.000 0.261 100 N C -0.582 174.931 175.510 0.004 0.000 0.965 100 N CA 0.583 53.630 53.050 -0.005 0.000 0.795 100 N CB -2.062 36.420 38.487 -0.009 0.000 0.909 100 N HN 0.164 nan 8.380 nan 0.000 0.546 101 S N -0.638 115.069 115.700 0.011 0.000 2.632 101 S HA 0.342 4.808 4.470 -0.007 0.000 0.267 101 S C 0.593 175.211 174.600 0.031 0.000 1.276 101 S CA -0.717 57.500 58.200 0.027 0.000 0.998 101 S CB 0.979 64.196 63.200 0.028 0.000 0.953 101 S HN 0.364 nan 8.310 nan 0.000 0.547 102 T N 3.102 117.697 114.554 0.068 0.000 2.934 102 T HA 0.169 4.514 4.350 -0.007 0.000 0.306 102 T C 0.142 174.883 174.700 0.068 0.000 1.042 102 T CA 0.202 62.360 62.100 0.097 0.000 1.145 102 T CB 0.012 69.007 68.868 0.211 0.000 0.982 102 T HN 0.546 nan 8.240 nan 0.000 0.544 103 T N 4.226 118.807 114.554 0.045 0.000 2.795 103 T HA 0.518 4.864 4.350 -0.007 0.000 0.282 103 T C -0.286 174.435 174.700 0.036 0.000 0.980 103 T CA -0.648 61.468 62.100 0.026 0.000 1.012 103 T CB 0.816 69.685 68.868 0.002 0.000 0.936 103 T HN 0.425 nan 8.240 nan 0.000 0.457 104 L N 4.437 125.662 121.223 0.003 0.000 2.319 104 L HA 0.627 4.962 4.340 -0.007 0.000 0.281 104 L C -1.481 175.352 176.870 -0.061 0.000 1.005 104 L CA -0.961 53.850 54.840 -0.049 0.000 0.828 104 L CB 0.629 42.614 42.059 -0.124 0.000 1.227 104 L HN 0.576 nan 8.230 nan 0.000 0.415 105 I N 6.086 126.624 120.570 -0.054 0.000 2.378 105 I HA 0.477 4.643 4.170 -0.007 0.000 0.291 105 I C -0.422 175.661 176.117 -0.057 0.000 0.992 105 I CA -0.121 61.154 61.300 -0.042 0.000 1.154 105 I CB 1.785 39.776 38.000 -0.016 0.000 1.315 105 I HN 0.461 nan 8.210 nan 0.000 0.448 106 I N 4.571 125.108 120.570 -0.055 0.000 2.647 106 I HA 0.924 5.090 4.170 -0.007 0.000 0.295 106 I C -0.218 175.885 176.117 -0.025 0.000 1.078 106 I CA 0.066 61.332 61.300 -0.057 0.000 1.048 106 I CB 1.843 39.789 38.000 -0.090 0.000 1.239 106 I HN 0.728 nan 8.210 nan 0.000 0.421 107 G N 4.950 113.745 108.800 -0.008 0.000 2.322 107 G HA2 0.348 4.303 3.960 -0.007 0.000 0.295 107 G HA3 0.348 4.303 3.960 -0.007 0.000 0.295 107 G C -2.103 172.813 174.900 0.027 0.000 1.369 107 G CA -0.704 44.401 45.100 0.008 0.000 0.821 107 G HN 0.505 nan 8.290 nan 0.000 0.536 108 E N -0.699 119.518 120.200 0.029 0.000 2.212 108 E HA 0.490 4.836 4.350 -0.007 0.000 0.270 108 E C 1.542 178.164 176.600 0.036 0.000 0.956 108 E CA -0.218 56.206 56.400 0.040 0.000 0.825 108 E CB 2.211 31.932 29.700 0.036 0.000 1.167 108 E HN 0.932 nan 8.360 nan 0.000 0.400 109 V N -0.637 119.302 119.914 0.042 0.000 2.453 109 V HA -0.273 3.843 4.120 -0.007 0.000 0.252 109 V C 0.979 177.088 176.094 0.024 0.000 1.068 109 V CA 1.982 64.302 62.300 0.034 0.000 1.070 109 V CB -0.264 31.579 31.823 0.034 0.000 0.664 109 V HN 0.538 nan 8.190 nan 0.000 0.461 110 D N 0.181 120.594 120.400 0.023 0.000 2.183 110 D HA -0.030 4.606 4.640 -0.007 0.000 0.203 110 D C 0.641 176.950 176.300 0.015 0.000 0.969 110 D CA 0.958 54.968 54.000 0.017 0.000 0.842 110 D CB -0.320 40.490 40.800 0.017 0.000 0.957 110 D HN 0.571 nan 8.370 nan 0.000 0.484 111 D N 1.687 122.097 120.400 0.015 0.000 2.424 111 D HA 0.015 4.651 4.640 -0.007 0.000 0.244 111 D C -0.369 175.937 176.300 0.011 0.000 1.134 111 D CA 0.251 54.259 54.000 0.012 0.000 0.881 111 D CB 0.629 41.436 40.800 0.012 0.000 1.191 111 D HN -0.044 nan 8.370 nan 0.000 0.445 112 D N 1.897 122.302 120.400 0.008 0.000 2.470 112 D HA 0.219 4.854 4.640 -0.007 0.000 0.226 112 D C -0.155 176.149 176.300 0.006 0.000 1.196 112 D CA -0.003 54.002 54.000 0.007 0.000 0.979 112 D CB -0.060 40.744 40.800 0.006 0.000 1.059 112 D HN 0.210 nan 8.370 nan 0.000 0.515 113 I N 2.666 123.241 120.570 0.007 0.000 2.466 113 I HA 0.223 4.389 4.170 -0.007 0.000 0.279 113 I C -1.752 174.369 176.117 0.006 0.000 1.033 113 I CA -1.990 59.313 61.300 0.006 0.000 1.123 113 I CB 2.170 40.174 38.000 0.005 0.000 1.237 113 I HN 0.030 nan 8.210 nan 0.000 0.460 114 P HA -0.088 nan 4.420 nan 0.000 0.216 114 P C 1.100 178.402 177.300 0.004 0.000 1.153 114 P CA 1.216 64.319 63.100 0.004 0.000 0.844 114 P CB 0.384 32.086 31.700 0.003 0.000 0.787 115 E N -0.511 119.690 120.200 0.002 0.000 2.085 115 E HA -0.179 4.167 4.350 -0.007 0.000 0.194 115 E C 1.884 178.486 176.600 0.004 0.000 0.994 115 E CA 0.851 57.252 56.400 0.001 0.000 0.801 115 E CB -1.179 28.520 29.700 -0.002 0.000 0.743 115 E HN 0.086 nan 8.360 nan 0.000 0.453 116 L N 1.230 122.457 121.223 0.006 0.000 1.970 116 L HA -0.212 4.123 4.340 -0.007 0.000 0.212 116 L C 1.376 178.256 176.870 0.017 0.000 1.071 116 L CA 2.020 56.867 54.840 0.012 0.000 0.751 116 L CB -0.620 41.447 42.059 0.013 0.000 0.889 116 L HN 0.033 nan 8.230 nan 0.000 0.432 117 D N -0.466 119.943 120.400 0.015 0.000 2.126 117 D HA -0.236 4.400 4.640 -0.007 0.000 0.190 117 D C 2.120 178.428 176.300 0.014 0.000 1.001 117 D CA 1.635 55.644 54.000 0.016 0.000 0.841 117 D CB -0.122 40.685 40.800 0.012 0.000 0.949 117 D HN 0.391 nan 8.370 nan 0.000 0.446 118 E N 0.336 120.542 120.200 0.010 0.000 2.038 118 E HA -0.100 4.246 4.350 -0.007 0.000 0.195 118 E C 2.060 178.665 176.600 0.009 0.000 1.000 118 E CA 1.409 57.813 56.400 0.007 0.000 0.803 118 E CB -0.323 29.378 29.700 0.003 0.000 0.750 118 E HN 0.262 nan 8.360 nan 0.000 0.448 119 A N 0.171 122.997 122.820 0.010 0.000 1.972 119 A HA -0.143 4.173 4.320 -0.007 0.000 0.219 119 A C 2.151 179.751 177.584 0.026 0.000 1.169 119 A CA 1.080 53.125 52.037 0.014 0.000 0.635 119 A CB -0.535 18.473 19.000 0.014 0.000 0.810 119 A HN 0.198 nan 8.150 nan 0.000 0.446 120 L N -1.614 119.627 121.223 0.030 0.000 2.072 120 L HA -0.079 4.257 4.340 -0.007 0.000 0.205 120 L C 0.951 177.841 176.870 0.034 0.000 1.079 120 L CA 0.843 55.707 54.840 0.039 0.000 0.752 120 L CB -0.382 41.701 42.059 0.041 0.000 0.906 120 L HN 0.571 nan 8.230 nan 0.000 0.436 121 N N -0.053 118.662 118.700 0.025 0.000 2.726 121 N HA -0.185 4.551 4.740 -0.007 0.000 0.253 121 N C 0.512 176.035 175.510 0.022 0.000 1.059 121 N CA 0.954 54.016 53.050 0.020 0.000 0.701 121 N CB -1.055 37.443 38.487 0.019 0.000 0.899 121 N HN 0.594 nan 8.380 nan 0.000 0.548 122 G N -1.582 107.231 108.800 0.021 0.000 2.308 122 G HA2 -0.249 3.706 3.960 -0.007 0.000 0.221 122 G HA3 -0.249 3.706 3.960 -0.007 0.000 0.221 122 G C 0.254 175.168 174.900 0.024 0.000 1.032 122 G CA 0.873 45.985 45.100 0.020 0.000 0.623 122 G HN 1.633 nan 8.290 nan 0.000 0.506 123 T N -0.687 113.886 114.554 0.031 0.000 2.889 123 T HA 0.639 4.985 4.350 -0.007 0.000 0.291 123 T C -0.130 174.595 174.700 0.041 0.000 0.995 123 T CA 1.002 63.123 62.100 0.036 0.000 1.092 123 T CB 2.244 71.138 68.868 0.044 0.000 0.954 123 T HN 1.164 nan 8.240 nan 0.000 0.506 124 T N 0.826 115.404 114.554 0.039 0.000 2.821 124 T HA 0.628 4.974 4.350 -0.007 0.000 0.306 124 T C 0.504 175.229 174.700 0.042 0.000 1.313 124 T CA -0.077 62.048 62.100 0.041 0.000 1.012 124 T CB 1.111 69.996 68.868 0.028 0.000 1.298 124 T HN 0.914 nan 8.240 nan 0.000 0.502 125 A N 1.341 124.192 122.820 0.051 0.000 2.308 125 A HA 0.315 4.631 4.320 -0.007 0.000 0.217 125 A C 1.629 179.226 177.584 0.023 0.000 1.216 125 A CA 1.043 53.110 52.037 0.051 0.000 0.864 125 A CB -0.563 18.496 19.000 0.098 0.000 0.902 125 A HN 0.908 nan 8.150 nan 0.000 0.499 126 E N 1.609 121.820 120.200 0.017 0.000 2.136 126 E HA -0.257 4.089 4.350 -0.007 0.000 0.208 126 E C 0.894 177.485 176.600 -0.016 0.000 1.035 126 E CA 2.347 58.750 56.400 0.005 0.000 0.838 126 E CB -0.312 29.390 29.700 0.004 0.000 0.748 126 E HN 0.750 nan 8.360 nan 0.000 0.459 127 N N -0.922 117.758 118.700 -0.033 0.000 2.238 127 N HA 0.209 4.945 4.740 -0.007 0.000 0.222 127 N C -0.767 174.669 175.510 -0.123 0.000 1.133 127 N CA -0.295 52.717 53.050 -0.065 0.000 0.854 127 N CB 0.493 38.945 38.487 -0.059 0.000 1.041 127 N HN 0.059 nan 8.380 nan 0.000 0.510 128 L N 1.060 122.210 121.223 -0.122 0.000 2.421 128 L HA 0.317 4.653 4.340 -0.007 0.000 0.263 128 L C 0.690 177.443 176.870 -0.195 0.000 1.122 128 L CA -1.072 53.628 54.840 -0.233 0.000 0.804 128 L CB 0.667 42.643 42.059 -0.139 0.000 1.150 128 L HN 0.149 nan 8.230 nan 0.000 0.457 129 K N 0.380 120.603 120.400 -0.295 0.000 2.234 129 K HA 0.140 4.456 4.320 -0.007 0.000 0.251 129 K C -0.396 176.176 176.600 -0.047 0.000 1.011 129 K CA -0.587 55.603 56.287 -0.161 0.000 0.889 129 K CB 0.196 32.587 32.500 -0.181 0.000 1.011 129 K HN 0.384 nan 8.250 nan 0.000 0.505 130 E N 1.089 121.284 120.200 -0.008 0.000 2.467 130 E HA -0.137 4.208 4.350 -0.007 0.000 0.264 130 E C -0.377 176.288 176.600 0.107 0.000 1.020 130 E CA 0.414 56.843 56.400 0.049 0.000 0.945 130 E CB 0.132 29.859 29.700 0.045 0.000 0.942 130 E HN 0.693 nan 8.360 nan 0.000 0.449 131 E N -0.949 119.365 120.200 0.190 0.000 3.916 131 E HA -0.186 4.160 4.350 -0.007 0.000 0.331 131 E C 0.485 177.384 176.600 0.499 0.000 0.729 131 E CA 0.561 57.190 56.400 0.382 0.000 1.222 131 E CB -1.481 28.503 29.700 0.472 0.000 1.633 131 E HN 0.679 nan 8.360 nan 0.000 0.437 132 G N 0.318 109.300 108.800 0.304 0.000 2.569 132 G HA2 0.422 4.378 3.960 -0.007 0.000 0.249 132 G HA3 0.422 4.378 3.960 -0.007 0.000 0.249 132 G C -0.356 174.757 174.900 0.355 0.000 1.216 132 G CA 0.346 45.622 45.100 0.293 0.000 0.845 132 G HN 0.235 nan 8.290 nan 0.000 0.568 133 Y N -1.985 118.481 120.300 0.276 0.000 2.638 133 Y HA 0.760 5.306 4.550 -0.007 0.000 0.335 133 Y C -0.419 175.584 175.900 0.173 0.000 1.155 133 Y CA -1.699 56.522 58.100 0.202 0.000 1.046 133 Y CB 1.127 39.712 38.460 0.209 0.000 1.303 133 Y HN 0.822 nan 8.280 nan 0.000 0.460 134 A N 2.492 125.485 122.820 0.290 0.000 2.343 134 A HA 0.775 5.091 4.320 -0.007 0.000 0.316 134 A C -1.967 175.802 177.584 0.308 0.000 1.104 134 A CA -0.787 51.371 52.037 0.201 0.000 0.768 134 A CB 1.306 20.378 19.000 0.121 0.000 1.213 134 A HN 0.986 nan 8.150 nan 0.000 0.456 135 L N 3.108 124.499 121.223 0.280 0.000 2.409 135 L HA 0.767 5.103 4.340 -0.007 0.000 0.272 135 L C -1.603 175.363 176.870 0.160 0.000 0.980 135 L CA -0.588 54.390 54.840 0.231 0.000 0.826 135 L CB 2.028 44.258 42.059 0.285 0.000 1.268 135 L HN 0.452 nan 8.230 nan 0.000 0.407 136 V N 3.165 123.159 119.914 0.133 0.000 2.525 136 V HA 0.497 4.612 4.120 -0.007 0.000 0.299 136 V C -0.498 175.685 176.094 0.148 0.000 1.034 136 V CA -0.493 61.880 62.300 0.122 0.000 0.863 136 V CB 2.125 34.005 31.823 0.095 0.000 0.999 136 V HN 0.827 nan 8.190 nan 0.000 0.423 137 S N 3.536 119.343 115.700 0.178 0.000 2.474 137 S HA 0.746 5.212 4.470 -0.007 0.000 0.321 137 S C -0.674 174.115 174.600 0.314 0.000 1.080 137 S CA -0.728 57.642 58.200 0.282 0.000 1.106 137 S CB 1.160 64.513 63.200 0.255 0.000 0.984 137 S HN 0.767 nan 8.310 nan 0.000 0.464 138 N N 1.507 120.364 118.700 0.262 0.000 2.425 138 N HA 0.336 5.072 4.740 -0.007 0.000 0.289 138 N C -1.670 173.760 175.510 -0.134 0.000 1.074 138 N CA -0.146 52.978 53.050 0.123 0.000 0.905 138 N CB 1.594 40.120 38.487 0.065 0.000 1.586 138 N HN 0.661 nan 8.380 nan 0.000 0.490 139 D N 3.439 123.673 120.400 -0.276 0.000 2.904 139 D HA -0.131 4.505 4.640 -0.007 0.000 0.231 139 D C 0.901 176.805 176.300 -0.659 0.000 1.185 139 D CA 2.339 56.090 54.000 -0.415 0.000 0.783 139 D CB -1.103 39.592 40.800 -0.175 0.000 0.961 139 D HN 1.091 nan 8.370 nan 0.000 0.409 140 G N 1.012 108.923 108.800 -1.482 0.000 2.166 140 G HA2 -0.358 3.598 3.960 -0.007 0.000 0.260 140 G HA3 -0.358 3.598 3.960 -0.007 0.000 0.260 140 G C 0.337 174.978 174.900 -0.430 0.000 0.986 140 G CA 0.857 45.354 45.100 -1.006 0.000 0.683 140 G HN 0.633 nan 8.290 nan 0.000 0.527 141 K N -0.531 119.672 120.400 -0.328 0.000 2.378 141 K HA 0.671 4.987 4.320 -0.007 0.000 0.252 141 K C -0.744 175.965 176.600 0.181 0.000 0.931 141 K CA -0.925 55.352 56.287 -0.016 0.000 0.794 141 K CB 1.764 34.242 32.500 -0.036 0.000 1.181 141 K HN 0.103 nan 8.250 nan 0.000 0.425 142 I N 2.001 122.684 120.570 0.189 0.000 2.406 142 I HA 0.376 4.542 4.170 -0.007 0.000 0.290 142 I C -0.515 175.636 176.117 0.056 0.000 0.999 142 I CA -0.402 60.999 61.300 0.170 0.000 1.124 142 I CB 2.009 40.117 38.000 0.181 0.000 1.289 142 I HN 0.570 nan 8.210 nan 0.000 0.441 143 A N 7.501 130.358 122.820 0.062 0.000 2.304 143 A HA 0.867 5.183 4.320 -0.007 0.000 0.314 143 A C -0.658 176.950 177.584 0.040 0.000 1.187 143 A CA -0.401 51.655 52.037 0.032 0.000 0.810 143 A CB 0.456 19.482 19.000 0.043 0.000 1.183 143 A HN 0.654 nan 8.150 nan 0.000 0.487 144 I N 2.027 122.598 120.570 0.001 0.000 2.354 144 I HA 0.329 4.495 4.170 -0.007 0.000 0.286 144 I C 0.065 176.209 176.117 0.045 0.000 1.007 144 I CA 0.001 61.312 61.300 0.019 0.000 1.167 144 I CB 1.622 39.577 38.000 -0.075 0.000 1.320 144 I HN 0.745 nan 8.210 nan 0.000 0.458 145 E N 5.255 125.520 120.200 0.107 0.000 2.155 145 E HA 0.527 4.873 4.350 -0.007 0.000 0.264 145 E C -0.287 176.414 176.600 0.169 0.000 0.886 145 E CA -0.605 55.859 56.400 0.107 0.000 0.752 145 E CB 1.595 31.348 29.700 0.090 0.000 1.133 145 E HN 0.752 nan 8.360 nan 0.000 0.414 146 G N 2.993 111.879 108.800 0.143 0.000 2.448 146 G HA2 0.046 4.002 3.960 -0.007 0.000 0.285 146 G HA3 0.046 4.002 3.960 -0.007 0.000 0.285 146 G C 0.601 175.586 174.900 0.141 0.000 1.176 146 G CA -0.346 44.866 45.100 0.187 0.000 0.852 146 G HN 0.541 nan 8.290 nan 0.000 0.530 147 K N -0.024 120.469 120.400 0.155 0.000 2.097 147 K HA -0.017 4.299 4.320 -0.007 0.000 0.205 147 K C 0.517 177.164 176.600 0.078 0.000 1.050 147 K CA 1.924 58.270 56.287 0.098 0.000 0.938 147 K CB 0.048 32.602 32.500 0.089 0.000 0.718 147 K HN 0.712 nan 8.250 nan 0.000 0.442 148 D N -4.272 116.183 120.400 0.092 0.000 2.752 148 D HA 0.278 4.914 4.640 -0.007 0.000 0.313 148 D C 1.027 177.363 176.300 0.060 0.000 1.225 148 D CA -0.291 53.748 54.000 0.064 0.000 0.976 148 D CB 0.125 40.960 40.800 0.057 0.000 1.443 148 D HN -0.084 nan 8.370 nan 0.000 0.515 149 G N -0.586 108.233 108.800 0.031 0.000 2.442 149 G HA2 -0.260 3.696 3.960 -0.007 0.000 0.219 149 G HA3 -0.260 3.696 3.960 -0.007 0.000 0.219 149 G C 0.856 175.745 174.900 -0.017 0.000 1.141 149 G CA 1.004 46.111 45.100 0.012 0.000 0.763 149 G HN 0.522 nan 8.290 nan 0.000 0.554 150 D N 0.758 121.128 120.400 -0.050 0.000 2.104 150 D HA -0.090 4.546 4.640 -0.007 0.000 0.194 150 D C 2.675 178.872 176.300 -0.170 0.000 0.994 150 D CA 1.357 55.239 54.000 -0.197 0.000 0.830 150 D CB -0.769 39.977 40.800 -0.089 0.000 0.959 150 D HN 0.318 nan 8.370 nan 0.000 0.452 151 G N 0.176 109.054 108.800 0.130 0.000 2.422 151 G HA2 -0.251 3.705 3.960 -0.007 0.000 0.218 151 G HA3 -0.251 3.705 3.960 -0.007 0.000 0.218 151 G C 1.692 176.727 174.900 0.226 0.000 1.146 151 G CA 1.542 46.850 45.100 0.346 0.000 0.769 151 G HN 0.242 nan 8.290 nan 0.000 0.547 152 T N 0.720 115.339 114.554 0.108 0.000 2.708 152 T HA -0.128 4.218 4.350 -0.007 0.000 0.266 152 T C 1.940 176.624 174.700 -0.026 0.000 1.037 152 T CA 1.097 63.219 62.100 0.037 0.000 1.146 152 T CB -0.339 68.548 68.868 0.032 0.000 0.865 152 T HN 0.268 nan 8.240 nan 0.000 0.435 153 F N 1.007 120.849 119.950 -0.179 0.000 2.095 153 F HA -0.217 4.305 4.527 -0.007 0.000 0.298 153 F C 2.030 177.728 175.800 -0.170 0.000 1.104 153 F CA 1.328 59.198 58.000 -0.216 0.000 1.232 153 F CB -0.332 38.469 39.000 -0.330 0.000 0.987 153 F HN 0.108 nan 8.300 nan 0.000 0.475 154 Y N 0.553 120.894 120.300 0.069 0.000 2.242 154 Y HA 0.035 4.581 4.550 -0.007 0.000 0.291 154 Y C 2.728 178.231 175.900 -0.663 0.000 1.137 154 Y CA 0.597 58.604 58.100 -0.155 0.000 1.181 154 Y CB -1.565 36.979 38.460 0.140 0.000 0.989 154 Y HN 0.120 nan 8.280 nan 0.000 0.527 155 G N -0.256 108.088 108.800 -0.759 0.000 2.469 155 G HA2 -0.249 3.707 3.960 -0.007 0.000 0.219 155 G HA3 -0.249 3.707 3.960 -0.007 0.000 0.219 155 G C 1.895 176.531 174.900 -0.439 0.000 1.150 155 G CA 1.568 46.108 45.100 -0.933 0.000 0.763 155 G HN 0.307 nan 8.290 nan 0.000 0.561 156 V N 0.529 120.237 119.914 -0.342 0.000 2.407 156 V HA -0.168 3.947 4.120 -0.007 0.000 0.248 156 V C 3.008 178.927 176.094 -0.291 0.000 1.055 156 V CA 1.869 64.002 62.300 -0.278 0.000 1.049 156 V CB -0.260 31.373 31.823 -0.317 0.000 0.662 156 V HN 0.332 nan 8.190 nan 0.000 0.455 157 Q N -0.400 119.169 119.800 -0.384 0.000 2.124 157 Q HA -0.152 4.184 4.340 -0.007 0.000 0.202 157 Q C 2.330 178.156 176.000 -0.290 0.000 0.977 157 Q CA 2.045 57.645 55.803 -0.339 0.000 0.850 157 Q CB -0.961 27.606 28.738 -0.286 0.000 0.901 157 Q HN 0.604 nan 8.270 nan 0.000 0.429 158 T N 1.362 115.749 114.554 -0.278 0.000 2.777 158 T HA -0.099 4.247 4.350 -0.007 0.000 0.266 158 T C 1.474 176.074 174.700 -0.168 0.000 1.040 158 T CA 0.954 62.938 62.100 -0.195 0.000 1.141 158 T CB -0.415 68.387 68.868 -0.109 0.000 0.868 158 T HN 0.272 nan 8.240 nan 0.000 0.444 159 F N 2.329 122.100 119.950 -0.300 0.000 2.091 159 F HA -0.157 4.366 4.527 -0.007 0.000 0.299 159 F C 2.071 177.593 175.800 -0.463 0.000 1.103 159 F CA 1.435 59.250 58.000 -0.309 0.000 1.228 159 F CB -0.225 38.596 39.000 -0.298 0.000 0.984 159 F HN 0.004 nan 8.300 nan 0.000 0.477 160 K N -0.192 119.776 120.400 -0.721 0.000 2.057 160 K HA -0.197 4.119 4.320 -0.007 0.000 0.207 160 K C 2.098 178.343 176.600 -0.590 0.000 1.049 160 K CA 1.881 57.524 56.287 -1.073 0.000 0.931 160 K CB -0.318 31.731 32.500 -0.752 0.000 0.714 160 K HN 0.460 nan 8.250 nan 0.000 0.440 161 Q N 0.300 119.878 119.800 -0.370 0.000 2.230 161 Q HA -0.017 4.319 4.340 -0.007 0.000 0.202 161 Q C 1.973 177.846 176.000 -0.213 0.000 0.963 161 Q CA 0.691 56.361 55.803 -0.222 0.000 0.866 161 Q CB 0.127 28.768 28.738 -0.162 0.000 0.931 161 Q HN 0.302 nan 8.270 nan 0.000 0.452 162 L N 0.102 121.155 121.223 -0.284 0.000 2.240 162 L HA -0.002 4.334 4.340 -0.007 0.000 0.211 162 L C 0.502 177.212 176.870 -0.266 0.000 1.106 162 L CA 0.111 54.809 54.840 -0.237 0.000 0.793 162 L CB 0.364 42.301 42.059 -0.203 0.000 0.927 162 L HN -0.034 nan 8.230 nan 0.000 0.446 163 V N 1.108 120.796 119.914 -0.377 0.000 2.455 163 V HA 0.102 4.217 4.120 -0.007 0.000 0.273 163 V C 0.116 176.146 176.094 -0.106 0.000 1.045 163 V CA -0.207 61.934 62.300 -0.264 0.000 0.976 163 V CB 0.973 32.626 31.823 -0.283 0.000 0.993 163 V HN 0.140 nan 8.190 nan 0.000 0.475 164 K N 4.137 124.481 120.400 -0.094 0.000 2.579 164 K HA 0.311 4.627 4.320 -0.007 0.000 0.250 164 K C -0.288 176.278 176.600 -0.056 0.000 0.952 164 K CA -0.476 55.775 56.287 -0.060 0.000 0.857 164 K CB 0.806 33.269 32.500 -0.061 0.000 1.123 164 K HN 0.629 nan 8.250 nan 0.000 0.433 165 E N 2.548 122.719 120.200 -0.047 0.000 2.252 165 E HA -0.221 4.125 4.350 -0.007 0.000 0.218 165 E C -0.392 176.181 176.600 -0.044 0.000 1.253 165 E CA 1.346 57.718 56.400 -0.047 0.000 0.705 165 E CB -1.810 27.867 29.700 -0.039 0.000 1.172 165 E HN 0.937 nan 8.360 nan 0.000 0.369 166 S N -2.612 113.061 115.700 -0.045 0.000 2.868 166 S HA -0.249 4.217 4.470 -0.007 0.000 0.270 166 S C 0.428 174.990 174.600 -0.063 0.000 1.300 166 S CA 1.533 59.714 58.200 -0.032 0.000 1.362 166 S CB -0.597 62.597 63.200 -0.010 0.000 1.685 166 S HN 0.461 nan 8.310 nan 0.000 0.682 167 N N 0.923 119.572 118.700 -0.085 0.000 2.488 167 N HA 0.590 5.326 4.740 -0.007 0.000 0.274 167 N C -0.487 174.898 175.510 -0.208 0.000 1.111 167 N CA 0.044 53.014 53.050 -0.133 0.000 0.974 167 N CB 1.024 39.457 38.487 -0.091 0.000 1.089 167 N HN 0.546 nan 8.380 nan 0.000 0.465 168 I N 3.150 123.508 120.570 -0.354 0.000 2.498 168 I HA 0.404 4.569 4.170 -0.007 0.000 0.290 168 I C -2.359 173.544 176.117 -0.356 0.000 1.032 168 I CA -2.466 58.604 61.300 -0.384 0.000 1.073 168 I CB 2.735 40.458 38.000 -0.461 0.000 1.251 168 I HN 0.294 nan 8.210 nan 0.000 0.426 169 P HA 0.106 nan 4.420 nan 0.000 0.272 169 P C -1.289 175.981 177.300 -0.050 0.000 1.240 169 P CA -0.139 62.901 63.100 -0.099 0.000 0.791 169 P CB 0.489 32.157 31.700 -0.053 0.000 0.978 170 E N 0.069 120.298 120.200 0.050 0.000 2.081 170 E HA 0.356 4.702 4.350 -0.007 0.000 0.281 170 E C -0.278 176.378 176.600 0.092 0.000 0.986 170 E CA -0.628 55.854 56.400 0.137 0.000 0.796 170 E CB 0.784 30.602 29.700 0.196 0.000 1.085 170 E HN 0.253 nan 8.360 nan 0.000 0.398 171 V N 0.727 120.699 119.914 0.097 0.000 3.078 171 V HA 0.576 4.692 4.120 -0.007 0.000 0.311 171 V C -0.746 175.401 176.094 0.089 0.000 1.138 171 V CA -1.139 61.207 62.300 0.077 0.000 1.007 171 V CB 2.308 34.167 31.823 0.060 0.000 1.045 171 V HN 0.542 nan 8.190 nan 0.000 0.432 172 N N 1.980 120.724 118.700 0.074 0.000 2.483 172 N HA 0.562 5.298 4.740 -0.007 0.000 0.267 172 N C -1.583 173.968 175.510 0.068 0.000 0.998 172 N CA -0.345 52.749 53.050 0.074 0.000 0.918 172 N CB 1.468 39.991 38.487 0.060 0.000 1.215 172 N HN 0.866 nan 8.380 nan 0.000 0.500 173 I N 2.010 122.631 120.570 0.086 0.000 2.465 173 I HA 0.299 4.465 4.170 -0.007 0.000 0.291 173 I C 0.108 176.249 176.117 0.040 0.000 1.014 173 I CA -0.655 60.688 61.300 0.072 0.000 1.093 173 I CB 2.191 40.269 38.000 0.129 0.000 1.267 173 I HN 0.466 nan 8.210 nan 0.000 0.431 174 T N 0.590 115.140 114.554 -0.006 0.000 2.829 174 T HA 0.668 5.014 4.350 -0.007 0.000 0.280 174 T C -0.975 173.646 174.700 -0.131 0.000 0.999 174 T CA -0.731 61.342 62.100 -0.046 0.000 0.983 174 T CB 2.275 71.171 68.868 0.046 0.000 0.968 174 T HN 0.436 nan 8.240 nan 0.000 0.446 175 D N 1.078 121.296 120.400 -0.304 0.000 2.753 175 D HA 0.637 5.273 4.640 -0.007 0.000 0.224 175 D C -1.612 174.648 176.300 -0.065 0.000 1.213 175 D CA -0.316 53.483 54.000 -0.335 0.000 0.833 175 D CB 1.837 42.304 40.800 -0.555 0.000 1.607 175 D HN 0.777 nan 8.370 nan 0.000 0.463 176 Y N -1.085 119.151 120.300 -0.106 0.000 2.638 176 Y HA 0.567 5.112 4.550 -0.007 0.000 0.334 176 Y C -3.113 172.118 175.900 -1.116 0.000 1.182 176 Y CA -1.894 55.960 58.100 -0.409 0.000 1.102 176 Y CB 0.730 39.032 38.460 -0.264 0.000 1.343 176 Y HN 0.070 nan 8.280 nan 0.000 0.463 177 P HA 0.244 nan 4.420 nan 0.000 0.281 177 P C 0.157 177.096 177.300 -0.601 0.000 1.249 177 P CA -0.131 62.054 63.100 -1.524 0.000 0.810 177 P CB 2.011 33.006 31.700 -1.175 0.000 1.008 178 T N 0.157 114.424 114.554 -0.478 0.000 2.701 178 T HA 0.002 4.348 4.350 -0.007 0.000 0.263 178 T C 0.913 175.496 174.700 -0.196 0.000 1.040 178 T CA 1.130 63.072 62.100 -0.264 0.000 1.147 178 T CB -0.191 68.512 68.868 -0.275 0.000 0.865 178 T HN 0.213 nan 8.240 nan 0.000 0.426 179 V N 1.830 121.623 119.914 -0.203 0.000 2.483 179 V HA 0.359 4.475 4.120 -0.007 0.000 0.295 179 V C 1.260 177.298 176.094 -0.093 0.000 1.035 179 V CA -0.312 61.924 62.300 -0.106 0.000 0.896 179 V CB 1.758 33.540 31.823 -0.068 0.000 0.986 179 V HN 0.432 nan 8.190 nan 0.000 0.447 180 S N 3.447 119.116 115.700 -0.051 0.000 2.436 180 S HA 0.175 4.641 4.470 -0.007 0.000 0.228 180 S C 0.778 175.333 174.600 -0.075 0.000 1.014 180 S CA 0.600 58.771 58.200 -0.048 0.000 0.950 180 S CB 0.117 63.311 63.200 -0.011 0.000 0.784 180 S HN 1.100 nan 8.310 nan 0.000 0.504 181 A N 1.339 124.066 122.820 -0.155 0.000 2.291 181 A HA 0.804 5.120 4.320 -0.007 0.000 0.311 181 A C -0.436 176.997 177.584 -0.252 0.000 1.224 181 A CA -0.961 50.846 52.037 -0.383 0.000 0.821 181 A CB 0.787 19.137 19.000 -1.084 0.000 1.172 181 A HN 0.511 nan 8.150 nan 0.000 0.494 182 R N 1.921 122.351 120.500 -0.117 0.000 2.538 182 R HA 0.724 5.060 4.340 -0.007 0.000 0.292 182 R C 0.230 176.539 176.300 0.014 0.000 1.008 182 R CA -0.082 56.046 56.100 0.046 0.000 0.896 182 R CB 2.338 32.701 30.300 0.105 0.000 1.187 182 R HN 1.130 nan 8.270 nan 0.000 0.440 183 G N 2.014 110.833 108.800 0.031 0.000 2.441 183 G HA2 0.353 4.309 3.960 -0.007 0.000 0.225 183 G HA3 0.353 4.309 3.960 -0.007 0.000 0.225 183 G C -1.879 172.970 174.900 -0.084 0.000 1.200 183 G CA -0.543 44.509 45.100 -0.080 0.000 0.947 183 G HN 0.258 nan 8.290 nan 0.000 0.484 184 I N 0.202 120.710 120.570 -0.104 0.000 2.498 184 I HA 0.571 4.737 4.170 -0.007 0.000 0.290 184 I C -0.314 175.779 176.117 -0.041 0.000 1.032 184 I CA -0.978 60.309 61.300 -0.022 0.000 1.073 184 I CB 1.975 40.048 38.000 0.122 0.000 1.251 184 I HN 0.419 nan 8.210 nan 0.000 0.426 185 V N 6.545 126.316 119.914 -0.238 0.000 2.333 185 V HA 0.368 4.483 4.120 -0.007 0.000 0.274 185 V C 0.255 176.074 176.094 -0.457 0.000 1.028 185 V CA -0.349 61.681 62.300 -0.450 0.000 0.851 185 V CB 1.158 32.472 31.823 -0.849 0.000 1.000 185 V HN 0.849 nan 8.190 nan 0.000 0.456 186 E N 4.934 124.876 120.200 -0.429 0.000 1.775 186 E HA 0.288 4.634 4.350 -0.007 0.000 0.266 186 E C 0.916 177.071 176.600 -0.741 0.000 1.191 186 E CA 0.433 56.465 56.400 -0.614 0.000 1.048 186 E CB 0.074 29.398 29.700 -0.627 0.000 1.081 186 E HN 0.914 nan 8.360 nan 0.000 0.434 187 G N 4.001 112.437 108.800 -0.607 0.000 3.596 187 G HA2 0.087 4.043 3.960 -0.007 0.000 0.274 187 G HA3 0.087 4.043 3.960 -0.007 0.000 0.274 187 G C -0.023 174.725 174.900 -0.252 0.000 1.007 187 G CA -0.409 44.442 45.100 -0.415 0.000 0.825 187 G HN 0.444 nan 8.290 nan 0.000 0.508 188 F N -0.544 119.273 119.950 -0.222 0.000 2.368 188 F HA 0.771 5.294 4.527 -0.007 0.000 0.315 188 F C -0.173 175.490 175.800 -0.228 0.000 1.145 188 F CA -2.472 55.450 58.000 -0.130 0.000 1.095 188 F CB 0.351 39.303 39.000 -0.080 0.000 1.286 188 F HN -0.048 nan 8.300 nan 0.000 0.530 189 Y N 0.361 120.842 120.300 0.301 0.000 2.335 189 Y HA 0.575 5.121 4.550 -0.007 0.000 0.323 189 Y C 0.853 176.947 175.900 0.324 0.000 1.224 189 Y CA 0.232 58.456 58.100 0.206 0.000 1.241 189 Y CB 1.163 39.716 38.460 0.156 0.000 1.235 189 Y HN 1.094 nan 8.280 nan 0.000 0.492 190 G N 0.088 109.110 108.800 0.370 0.000 2.462 190 G HA2 -0.139 3.817 3.960 -0.007 0.000 0.685 190 G HA3 -0.139 3.817 3.960 -0.007 0.000 0.685 190 G C -0.934 174.130 174.900 0.273 0.000 1.295 190 G CA -1.057 44.212 45.100 0.281 0.000 0.941 190 G HN 0.569 nan 8.290 nan 0.000 0.554 191 T N 3.432 118.114 114.554 0.214 0.000 2.778 191 T HA 0.381 4.727 4.350 -0.007 0.000 0.282 191 T C -1.814 173.077 174.700 0.317 0.000 0.983 191 T CA 0.628 62.852 62.100 0.206 0.000 1.193 191 T CB 0.425 69.388 68.868 0.158 0.000 0.938 191 T HN 0.514 nan 8.240 nan 0.000 0.523 192 P HA 0.084 nan 4.420 nan 0.000 0.272 192 P C -0.044 177.488 177.300 0.387 0.000 1.223 192 P CA -0.738 62.468 63.100 0.178 0.000 0.784 192 P CB 0.390 32.108 31.700 0.030 0.000 0.923 193 W N 1.620 123.097 121.300 0.296 0.000 2.377 193 W HA 0.005 4.661 4.660 -0.007 0.000 0.341 193 W C 1.087 177.714 176.519 0.181 0.000 1.240 193 W CA 0.021 57.503 57.345 0.229 0.000 1.311 193 W CB -1.202 28.402 29.460 0.240 0.000 1.175 193 W HN 0.340 nan 8.180 nan 0.000 0.571 194 T N -0.811 113.946 114.554 0.339 0.000 2.802 194 T HA -0.049 4.297 4.350 -0.007 0.000 0.305 194 T C 1.111 175.961 174.700 0.249 0.000 1.053 194 T CA 0.227 62.474 62.100 0.245 0.000 1.058 194 T CB 0.906 69.866 68.868 0.153 0.000 0.988 194 T HN 0.510 nan 8.240 nan 0.000 0.539 195 H N 1.029 120.181 119.070 0.137 0.000 2.289 195 H HA -0.122 4.430 4.556 -0.007 0.000 0.296 195 H C 2.243 177.601 175.328 0.050 0.000 1.091 195 H CA 2.470 58.578 56.048 0.100 0.000 1.274 195 H CB -0.350 29.450 29.762 0.062 0.000 1.364 195 H HN 0.646 nan 8.280 nan 0.000 0.490 196 Q N 0.442 120.239 119.800 -0.005 0.000 2.077 196 Q HA -0.154 4.182 4.340 -0.007 0.000 0.206 196 Q C 2.025 177.942 176.000 -0.139 0.000 0.989 196 Q CA 1.847 57.595 55.803 -0.092 0.000 0.853 196 Q CB -0.465 28.259 28.738 -0.023 0.000 0.907 196 Q HN 0.588 nan 8.270 nan 0.000 0.418 197 D N -0.504 119.838 120.400 -0.097 0.000 2.092 197 D HA -0.152 4.484 4.640 -0.007 0.000 0.193 197 D C 1.933 178.080 176.300 -0.255 0.000 0.994 197 D CA 1.158 55.035 54.000 -0.205 0.000 0.828 197 D CB -0.172 40.517 40.800 -0.186 0.000 0.963 197 D HN 0.183 nan 8.370 nan 0.000 0.450 198 R N -0.087 120.358 120.500 -0.090 0.000 2.091 198 R HA -0.066 4.270 4.340 -0.007 0.000 0.238 198 R C 2.545 178.697 176.300 -0.247 0.000 1.136 198 R CA 0.738 56.790 56.100 -0.081 0.000 0.959 198 R CB -0.295 30.077 30.300 0.120 0.000 0.856 198 R HN 0.228 nan 8.270 nan 0.000 0.437 199 L N -0.191 120.867 121.223 -0.274 0.000 2.056 199 L HA -0.169 4.167 4.340 -0.007 0.000 0.207 199 L C 2.089 178.826 176.870 -0.222 0.000 1.078 199 L CA 1.418 56.104 54.840 -0.256 0.000 0.749 199 L CB -0.430 41.460 42.059 -0.281 0.000 0.901 199 L HN 0.197 nan 8.230 nan 0.000 0.433 200 D N -0.809 119.455 120.400 -0.227 0.000 2.097 200 D HA -0.221 4.415 4.640 -0.007 0.000 0.195 200 D C 2.284 178.431 176.300 -0.256 0.000 0.989 200 D CA 1.089 54.965 54.000 -0.206 0.000 0.827 200 D CB 0.181 40.852 40.800 -0.216 0.000 0.966 200 D HN 0.140 nan 8.370 nan 0.000 0.456 201 Q N 0.014 119.571 119.800 -0.404 0.000 2.061 201 Q HA -0.149 4.187 4.340 -0.007 0.000 0.204 201 Q C 2.623 178.035 176.000 -0.980 0.000 0.984 201 Q CA 0.984 56.405 55.803 -0.636 0.000 0.846 201 Q CB -0.379 27.953 28.738 -0.677 0.000 0.902 201 Q HN 0.509 nan 8.270 nan 0.000 0.421 202 I N 0.762 120.927 120.570 -0.675 0.000 2.163 202 I HA -0.321 3.845 4.170 -0.007 0.000 0.243 202 I C 2.409 178.426 176.117 -0.168 0.000 1.085 202 I CA 1.388 62.443 61.300 -0.409 0.000 1.347 202 I CB -0.232 37.672 38.000 -0.159 0.000 1.044 202 I HN 0.155 nan 8.210 nan 0.000 0.408 203 K N -0.017 120.319 120.400 -0.107 0.000 2.057 203 K HA -0.207 4.109 4.320 -0.007 0.000 0.207 203 K C 2.126 178.762 176.600 0.058 0.000 1.049 203 K CA 1.552 57.847 56.287 0.014 0.000 0.931 203 K CB -0.294 32.212 32.500 0.010 0.000 0.714 203 K HN 0.171 nan 8.250 nan 0.000 0.440 204 F N 0.781 120.650 119.950 -0.135 0.000 2.171 204 F HA -0.241 4.282 4.527 -0.007 0.000 0.300 204 F C 1.650 177.531 175.800 0.134 0.000 1.090 204 F CA 1.342 59.315 58.000 -0.046 0.000 1.293 204 F CB -0.132 38.805 39.000 -0.106 0.000 1.013 204 F HN 0.003 nan 8.300 nan 0.000 0.486 205 Y N 0.435 120.714 120.300 -0.036 0.000 2.163 205 Y HA 0.022 4.568 4.550 -0.007 0.000 0.288 205 Y C 2.830 178.718 175.900 -0.020 0.000 1.136 205 Y CA 0.563 58.627 58.100 -0.060 0.000 1.147 205 Y CB -1.676 36.841 38.460 0.095 0.000 0.987 205 Y HN 0.085 nan 8.280 nan 0.000 0.509 206 G N -0.096 108.858 108.800 0.257 0.000 2.469 206 G HA2 -0.287 3.669 3.960 -0.007 0.000 0.219 206 G HA3 -0.287 3.669 3.960 -0.007 0.000 0.219 206 G C 1.543 176.631 174.900 0.314 0.000 1.150 206 G CA 1.174 46.514 45.100 0.400 0.000 0.763 206 G HN 0.446 nan 8.290 nan 0.000 0.561 207 E N 0.213 120.452 120.200 0.066 0.000 2.204 207 E HA -0.025 4.321 4.350 -0.007 0.000 0.194 207 E C 1.522 178.001 176.600 -0.202 0.000 0.989 207 E CA 0.546 56.897 56.400 -0.081 0.000 0.824 207 E CB 0.048 29.692 29.700 -0.093 0.000 0.756 207 E HN 0.434 nan 8.360 nan 0.000 0.477 208 N N 0.148 118.681 118.700 -0.278 0.000 2.187 208 N HA 0.069 4.805 4.740 -0.007 0.000 0.212 208 N C -0.599 174.701 175.510 -0.350 0.000 1.152 208 N CA 0.118 52.939 53.050 -0.383 0.000 0.872 208 N CB 0.787 38.950 38.487 -0.540 0.000 1.025 208 N HN 0.002 nan 8.380 nan 0.000 0.514 209 K N 0.484 120.733 120.400 -0.253 0.000 3.291 209 K HA -0.139 4.177 4.320 -0.007 0.000 0.290 209 K C -0.617 175.874 176.600 -0.182 0.000 1.235 209 K CA 0.457 56.472 56.287 -0.453 0.000 0.848 209 K CB -1.797 30.019 32.500 -1.140 0.000 1.295 209 K HN 0.220 nan 8.250 nan 0.000 0.497 210 L N 1.647 122.864 121.223 -0.010 0.000 2.312 210 L HA 0.191 4.527 4.340 -0.007 0.000 0.281 210 L C 1.234 178.192 176.870 0.147 0.000 1.070 210 L CA -0.485 54.384 54.840 0.049 0.000 0.805 210 L CB 0.650 42.684 42.059 -0.042 0.000 1.174 210 L HN 0.199 nan 8.230 nan 0.000 0.434 211 N N -0.450 118.331 118.700 0.135 0.000 2.235 211 N HA 0.079 4.815 4.740 -0.007 0.000 0.231 211 N C -0.541 175.035 175.510 0.109 0.000 1.177 211 N CA -0.353 52.800 53.050 0.171 0.000 0.874 211 N CB 0.910 39.521 38.487 0.207 0.000 1.097 211 N HN 0.415 nan 8.380 nan 0.000 0.518 212 T N 0.689 115.291 114.554 0.080 0.000 3.011 212 T HA 0.227 4.573 4.350 -0.007 0.000 0.303 212 T C -2.194 172.603 174.700 0.161 0.000 0.997 212 T CA -0.448 61.698 62.100 0.076 0.000 1.007 212 T CB 1.290 70.119 68.868 -0.065 0.000 1.017 212 T HN 0.176 nan 8.240 nan 0.000 0.443 213 Y N 4.400 124.758 120.300 0.097 0.000 2.332 213 Y HA 0.636 5.182 4.550 -0.007 0.000 0.326 213 Y C -1.293 174.594 175.900 -0.022 0.000 0.978 213 Y CA -1.699 56.478 58.100 0.127 0.000 1.205 213 Y CB 0.605 39.285 38.460 0.368 0.000 1.131 213 Y HN 0.601 nan 8.280 nan 0.000 0.462 214 I N 7.678 127.960 120.570 -0.480 0.000 2.312 214 I HA 0.131 4.297 4.170 -0.007 0.000 0.290 214 I C -0.989 174.610 176.117 -0.864 0.000 1.008 214 I CA -0.929 60.032 61.300 -0.565 0.000 1.226 214 I CB 0.732 38.578 38.000 -0.257 0.000 1.371 214 I HN 0.627 nan 8.210 nan 0.000 0.468 215 Y N 7.169 126.863 120.300 -1.009 0.000 2.556 215 Y HA 0.491 5.037 4.550 -0.007 0.000 0.352 215 Y C 0.362 176.052 175.900 -0.349 0.000 1.006 215 Y CA -0.382 57.283 58.100 -0.726 0.000 1.277 215 Y CB 0.682 38.835 38.460 -0.511 0.000 1.136 215 Y HN 0.626 nan 8.280 nan 0.000 0.523 216 A N 7.921 130.324 122.820 -0.695 0.000 3.165 216 A HA 0.335 4.650 4.320 -0.007 0.000 0.212 216 A C -3.049 174.223 177.584 -0.519 0.000 0.935 216 A CA -0.959 50.879 52.037 -0.332 0.000 1.100 216 A CB -0.178 18.790 19.000 -0.052 0.000 1.260 216 A HN 0.495 nan 8.150 nan 0.000 0.532 217 P HA 0.158 nan 4.420 nan 0.000 0.282 217 P C 0.480 177.495 177.300 -0.475 0.000 1.262 217 P CA -0.004 62.623 63.100 -0.788 0.000 0.773 217 P CB 1.304 32.501 31.700 -0.839 0.000 0.879 218 K N 1.949 122.051 120.400 -0.496 0.000 2.160 218 K HA -0.132 4.184 4.320 -0.007 0.000 0.206 218 K C 0.433 176.930 176.600 -0.171 0.000 1.047 218 K CA 1.582 57.632 56.287 -0.396 0.000 0.930 218 K CB -0.317 31.666 32.500 -0.862 0.000 0.720 218 K HN 0.497 nan 8.250 nan 0.000 0.450 219 D N 0.566 120.886 120.400 -0.133 0.000 2.368 219 D HA -0.024 4.612 4.640 -0.007 0.000 0.218 219 D C -0.250 176.057 176.300 0.013 0.000 1.112 219 D CA -0.026 53.972 54.000 -0.003 0.000 0.834 219 D CB -0.024 40.813 40.800 0.061 0.000 0.953 219 D HN 0.126 nan 8.370 nan 0.000 0.505 220 D N 1.529 121.921 120.400 -0.013 0.000 2.336 220 D HA 0.056 4.691 4.640 -0.007 0.000 0.249 220 D C -1.350 175.028 176.300 0.129 0.000 1.213 220 D CA -1.860 52.203 54.000 0.105 0.000 0.870 220 D CB 1.739 42.619 40.800 0.134 0.000 1.076 220 D HN -0.100 nan 8.370 nan 0.000 0.483 221 P HA -0.177 nan 4.420 nan 0.000 0.218 221 P C 0.772 178.017 177.300 -0.091 0.000 1.149 221 P CA 1.086 64.146 63.100 -0.067 0.000 0.817 221 P CB -0.101 31.465 31.700 -0.223 0.000 0.785 222 Y N -1.585 118.735 120.300 0.034 0.000 2.632 222 Y HA -0.048 4.498 4.550 -0.007 0.000 0.301 222 Y C 2.648 178.647 175.900 0.166 0.000 1.172 222 Y CA 0.858 58.894 58.100 -0.107 0.000 1.328 222 Y CB -0.851 37.183 38.460 -0.711 0.000 1.016 222 Y HN 0.229 nan 8.280 nan 0.000 0.529 223 H N -1.780 117.411 119.070 0.202 0.000 2.615 223 H HA 0.190 4.742 4.556 -0.007 0.000 0.275 223 H C 1.849 177.204 175.328 0.045 0.000 0.981 223 H CA 0.382 56.510 56.048 0.134 0.000 1.252 223 H CB 0.846 30.642 29.762 0.057 0.000 1.447 223 H HN 0.235 nan 8.280 nan 0.000 0.498 224 R N 0.027 120.614 120.500 0.146 0.000 4.650 224 R HA -0.017 4.319 4.340 -0.007 0.000 0.128 224 R C 1.898 178.292 176.300 0.156 0.000 1.329 224 R CA 0.374 56.526 56.100 0.087 0.000 0.975 224 R CB 0.305 30.616 30.300 0.018 0.000 1.371 224 R HN 0.043 nan 8.270 nan 0.000 0.424 225 E N 1.710 121.955 120.200 0.076 0.000 2.118 225 E HA -0.175 4.171 4.350 -0.007 0.000 0.195 225 E C -0.000 176.591 176.600 -0.014 0.000 0.992 225 E CA 1.299 57.725 56.400 0.043 0.000 0.804 225 E CB -0.015 29.690 29.700 0.009 0.000 0.741 225 E HN 0.336 nan 8.360 nan 0.000 0.458 226 K N 1.405 121.748 120.400 -0.094 0.000 3.205 226 K HA 0.143 4.459 4.320 -0.007 0.000 0.202 226 K C 0.903 177.383 176.600 -0.200 0.000 1.160 226 K CA -0.386 55.768 56.287 -0.221 0.000 0.995 226 K CB -0.089 32.200 32.500 -0.351 0.000 1.041 226 K HN 0.235 nan 8.250 nan 0.000 0.507 227 W N 0.696 121.925 121.300 -0.119 0.000 2.424 227 W HA -0.118 4.537 4.660 -0.007 0.000 0.264 227 W C 0.622 177.102 176.519 -0.066 0.000 1.229 227 W CA 0.296 57.588 57.345 -0.088 0.000 1.208 227 W CB -0.391 28.996 29.460 -0.122 0.000 1.127 227 W HN 0.153 nan 8.180 nan 0.000 0.588 228 R N 1.321 121.382 120.500 -0.733 0.000 2.127 228 R HA -0.025 4.311 4.340 -0.007 0.000 0.217 228 R C 0.967 177.098 176.300 -0.283 0.000 1.074 228 R CA 0.950 56.582 56.100 -0.781 0.000 0.991 228 R CB -0.089 29.486 30.300 -1.208 0.000 0.895 228 R HN 0.303 nan 8.270 nan 0.000 0.450 229 E N 2.252 122.337 120.200 -0.191 0.000 2.301 229 E HA 0.247 4.593 4.350 -0.007 0.000 0.275 229 E C -2.553 174.104 176.600 0.096 0.000 1.030 229 E CA -2.576 53.806 56.400 -0.030 0.000 0.852 229 E CB 0.985 30.669 29.700 -0.028 0.000 1.060 229 E HN -0.116 nan 8.360 nan 0.000 0.401 230 P HA 0.051 nan 4.420 nan 0.000 0.274 230 P C -1.015 176.241 177.300 -0.073 0.000 1.256 230 P CA -0.255 62.880 63.100 0.059 0.000 0.795 230 P CB 0.212 31.955 31.700 0.073 0.000 1.038 231 Y N -0.161 120.060 120.300 -0.133 0.000 2.346 231 Y HA 0.221 4.767 4.550 -0.007 0.000 0.330 231 Y C -1.395 174.343 175.900 -0.269 0.000 1.178 231 Y CA -1.427 56.421 58.100 -0.421 0.000 1.331 231 Y CB -0.882 37.382 38.460 -0.328 0.000 1.253 231 Y HN 0.304 nan 8.280 nan 0.000 0.529 232 P HA -0.041 nan 4.420 nan 0.000 0.268 232 P C -0.114 177.167 177.300 -0.031 0.000 1.208 232 P CA -0.087 62.982 63.100 -0.052 0.000 0.777 232 P CB 0.628 32.309 31.700 -0.032 0.000 0.875 233 E N 0.794 120.984 120.200 -0.017 0.000 2.506 233 E HA -0.030 4.316 4.350 -0.007 0.000 0.210 233 E C 0.682 177.260 176.600 -0.036 0.000 1.325 233 E CA 0.619 57.005 56.400 -0.023 0.000 1.273 233 E CB -0.597 29.095 29.700 -0.012 0.000 1.276 233 E HN 0.511 nan 8.360 nan 0.000 0.442 234 S N -1.910 113.761 115.700 -0.049 0.000 2.490 234 S HA 0.034 4.500 4.470 -0.007 0.000 0.280 234 S C 1.199 175.739 174.600 -0.100 0.000 1.048 234 S CA -0.470 57.691 58.200 -0.066 0.000 1.263 234 S CB 0.162 63.334 63.200 -0.046 0.000 1.053 234 S HN 0.001 nan 8.310 nan 0.000 0.538 235 E N 1.387 121.534 120.200 -0.088 0.000 2.204 235 E HA 0.041 4.387 4.350 -0.007 0.000 0.194 235 E C 1.478 177.952 176.600 -0.209 0.000 0.989 235 E CA 0.891 57.218 56.400 -0.122 0.000 0.824 235 E CB -0.319 29.357 29.700 -0.040 0.000 0.756 235 E HN 0.418 nan 8.360 nan 0.000 0.477 236 M N 0.725 120.229 119.600 -0.161 0.000 2.099 236 M HA -0.118 4.358 4.480 -0.007 0.000 0.262 236 M C 2.090 178.283 176.300 -0.178 0.000 1.067 236 M CA 1.322 56.516 55.300 -0.178 0.000 1.124 236 M CB -0.671 31.869 32.600 -0.100 0.000 1.353 236 M HN -0.053 nan 8.290 nan 0.000 0.410 237 Q N 0.027 119.740 119.800 -0.145 0.000 2.135 237 Q HA -0.184 4.152 4.340 -0.007 0.000 0.204 237 Q C 2.198 178.090 176.000 -0.179 0.000 0.981 237 Q CA 1.747 57.468 55.803 -0.137 0.000 0.856 237 Q CB -0.166 28.505 28.738 -0.111 0.000 0.902 237 Q HN 0.460 nan 8.270 nan 0.000 0.425 238 R N -0.976 119.367 120.500 -0.262 0.000 2.115 238 R HA -0.028 4.308 4.340 -0.007 0.000 0.230 238 R C 2.373 178.566 176.300 -0.180 0.000 1.111 238 R CA 1.155 57.012 56.100 -0.405 0.000 0.976 238 R CB -0.112 29.816 30.300 -0.621 0.000 0.870 238 R HN 0.220 nan 8.270 nan 0.000 0.445 239 M N 0.193 119.639 119.600 -0.256 0.000 2.117 239 M HA -0.166 4.310 4.480 -0.007 0.000 0.262 239 M C 2.194 178.308 176.300 -0.311 0.000 1.065 239 M CA 1.608 56.711 55.300 -0.328 0.000 1.114 239 M CB -0.723 31.623 32.600 -0.423 0.000 1.361 239 M HN 0.033 nan 8.290 nan 0.000 0.408 240 Q N 0.840 120.504 119.800 -0.227 0.000 2.112 240 Q HA -0.183 4.153 4.340 -0.007 0.000 0.206 240 Q C 1.729 177.639 176.000 -0.150 0.000 0.987 240 Q CA 2.006 57.698 55.803 -0.184 0.000 0.858 240 Q CB -0.151 28.508 28.738 -0.131 0.000 0.905 240 Q HN 0.584 nan 8.270 nan 0.000 0.420 241 E N -0.551 119.600 120.200 -0.081 0.000 2.072 241 E HA -0.139 4.207 4.350 -0.007 0.000 0.191 241 E C 2.046 178.607 176.600 -0.064 0.000 0.985 241 E CA 1.183 57.573 56.400 -0.016 0.000 0.801 241 E CB -0.170 29.610 29.700 0.132 0.000 0.750 241 E HN 0.344 nan 8.360 nan 0.000 0.452 242 L N 0.695 121.867 121.223 -0.085 0.000 2.012 242 L HA -0.224 4.111 4.340 -0.007 0.000 0.210 242 L C 2.495 179.165 176.870 -0.333 0.000 1.073 242 L CA 1.114 55.849 54.840 -0.174 0.000 0.748 242 L CB -0.546 41.403 42.059 -0.183 0.000 0.891 242 L HN 0.171 nan 8.230 nan 0.000 0.431 243 I N -0.040 120.223 120.570 -0.511 0.000 2.127 243 I HA -0.305 3.861 4.170 -0.007 0.000 0.241 243 I C 2.362 178.362 176.117 -0.195 0.000 1.075 243 I CA 1.274 62.304 61.300 -0.450 0.000 1.334 243 I CB -0.491 37.263 38.000 -0.410 0.000 1.040 243 I HN 0.335 nan 8.210 nan 0.000 0.405 244 N N 1.198 119.808 118.700 -0.150 0.000 2.043 244 N HA -0.176 4.560 4.740 -0.007 0.000 0.193 244 N C 1.911 177.386 175.510 -0.058 0.000 1.037 244 N CA 1.829 54.828 53.050 -0.087 0.000 0.851 244 N CB -0.588 37.858 38.487 -0.070 0.000 1.027 244 N HN 0.388 nan 8.380 nan 0.000 0.422 245 A N 0.582 123.369 122.820 -0.056 0.000 1.940 245 A HA -0.108 4.208 4.320 -0.007 0.000 0.219 245 A C 2.491 180.073 177.584 -0.003 0.000 1.176 245 A CA 1.854 53.873 52.037 -0.031 0.000 0.631 245 A CB -0.694 18.276 19.000 -0.050 0.000 0.814 245 A HN 0.297 nan 8.150 nan 0.000 0.446 246 S N -0.075 115.637 115.700 0.021 0.000 2.368 246 S HA -0.023 4.442 4.470 -0.007 0.000 0.225 246 S C 2.318 176.932 174.600 0.024 0.000 1.030 246 S CA 1.133 59.389 58.200 0.092 0.000 0.999 246 S CB -0.495 62.843 63.200 0.230 0.000 0.844 246 S HN 0.810 nan 8.310 nan 0.000 0.459 247 A N 1.701 124.514 122.820 -0.012 0.000 1.883 247 A HA -0.168 4.148 4.320 -0.007 0.000 0.217 247 A C 1.963 179.495 177.584 -0.086 0.000 1.186 247 A CA 1.655 53.664 52.037 -0.046 0.000 0.624 247 A CB -0.690 18.283 19.000 -0.045 0.000 0.822 247 A HN 0.513 nan 8.150 nan 0.000 0.444 248 E N -0.193 119.974 120.200 -0.055 0.000 2.267 248 E HA -0.113 4.233 4.350 -0.007 0.000 0.197 248 E C 0.721 177.272 176.600 -0.082 0.000 0.998 248 E CA 1.024 57.405 56.400 -0.031 0.000 0.830 248 E CB -0.030 29.682 29.700 0.020 0.000 0.751 248 E HN 0.555 nan 8.360 nan 0.000 0.491 249 N N -0.024 118.580 118.700 -0.159 0.000 2.235 249 N HA 0.026 4.762 4.740 -0.007 0.000 0.231 249 N C -0.632 174.548 175.510 -0.549 0.000 1.177 249 N CA 0.087 52.973 53.050 -0.272 0.000 0.874 249 N CB 0.895 39.416 38.487 0.058 0.000 1.097 249 N HN -0.084 nan 8.380 nan 0.000 0.518 250 K N -0.165 119.910 120.400 -0.542 0.000 3.129 250 K HA -0.113 4.203 4.320 -0.007 0.000 0.273 250 K C -0.602 175.948 176.600 -0.083 0.000 1.123 250 K CA 0.317 56.359 56.287 -0.407 0.000 0.800 250 K CB -2.344 29.710 32.500 -0.743 0.000 1.238 250 K HN 0.034 nan 8.250 nan 0.000 0.492 251 V N 1.591 121.512 119.914 0.012 0.000 2.435 251 V HA 0.194 4.310 4.120 -0.007 0.000 0.290 251 V C 0.561 176.753 176.094 0.163 0.000 1.030 251 V CA -0.830 61.559 62.300 0.148 0.000 0.881 251 V CB 1.832 33.808 31.823 0.256 0.000 0.983 251 V HN 0.074 nan 8.190 nan 0.000 0.445 252 D N 4.051 124.547 120.400 0.160 0.000 2.339 252 D HA 0.128 4.764 4.640 -0.007 0.000 0.256 252 D C -0.416 176.021 176.300 0.228 0.000 1.214 252 D CA 0.116 54.216 54.000 0.166 0.000 0.877 252 D CB 1.200 42.073 40.800 0.123 0.000 1.111 252 D HN 0.418 nan 8.370 nan 0.000 0.478 253 F N 3.545 123.561 119.950 0.111 0.000 2.438 253 F HA 0.166 4.689 4.527 -0.007 0.000 0.360 253 F C -0.455 175.366 175.800 0.034 0.000 1.118 253 F CA -0.531 57.545 58.000 0.128 0.000 1.164 253 F CB 0.569 39.636 39.000 0.111 0.000 1.131 253 F HN -0.011 nan 8.300 nan 0.000 0.527 254 V N 8.189 127.818 119.914 -0.474 0.000 2.370 254 V HA 0.188 4.304 4.120 -0.007 0.000 0.283 254 V C -0.518 175.293 176.094 -0.471 0.000 1.023 254 V CA -0.795 61.303 62.300 -0.335 0.000 0.857 254 V CB 1.083 32.820 31.823 -0.143 0.000 0.985 254 V HN 0.598 nan 8.190 nan 0.000 0.443 255 F N 4.361 124.042 119.950 -0.448 0.000 2.390 255 F HA 0.714 5.237 4.527 -0.007 0.000 0.361 255 F C 0.773 176.498 175.800 -0.125 0.000 1.124 255 F CA -0.621 57.259 58.000 -0.200 0.000 1.149 255 F CB 0.730 39.685 39.000 -0.074 0.000 1.160 255 F HN 0.543 nan 8.300 nan 0.000 0.501 256 G N 7.251 115.649 108.800 -0.669 0.000 2.348 256 G HA2 0.579 4.535 3.960 -0.007 0.000 0.312 256 G HA3 0.579 4.535 3.960 -0.007 0.000 0.312 256 G C -1.076 173.018 174.900 -1.343 0.000 1.126 256 G CA -0.621 43.970 45.100 -0.849 0.000 0.865 256 G HN 0.687 nan 8.290 nan 0.000 0.474 257 I N 0.520 120.480 120.570 -1.017 0.000 2.545 257 I HA 0.358 4.524 4.170 -0.007 0.000 0.292 257 I C -0.286 175.372 176.117 -0.765 0.000 1.040 257 I CA -0.777 60.000 61.300 -0.872 0.000 1.068 257 I CB 2.667 40.329 38.000 -0.564 0.000 1.251 257 I HN 0.302 nan 8.210 nan 0.000 0.424 258 S N 5.867 121.187 115.700 -0.633 0.000 2.399 258 S HA 0.291 4.757 4.470 -0.007 0.000 0.215 258 S C -1.986 172.195 174.600 -0.697 0.000 1.456 258 S CA -0.906 56.939 58.200 -0.592 0.000 1.199 258 S CB 0.826 63.828 63.200 -0.329 0.000 1.063 258 S HN 0.535 nan 8.310 nan 0.000 0.476 259 P HA 0.108 nan 4.420 nan 0.000 0.249 259 P C 1.504 178.388 177.300 -0.692 0.000 1.229 259 P CA 0.172 62.253 63.100 -1.699 0.000 0.788 259 P CB -0.097 30.423 31.700 -1.967 0.000 1.072 260 G N 2.273 110.870 108.800 -0.338 0.000 2.469 260 G HA2 -0.255 3.701 3.960 -0.007 0.000 0.220 260 G HA3 -0.255 3.701 3.960 -0.007 0.000 0.220 260 G C 1.472 176.447 174.900 0.126 0.000 1.136 260 G CA 0.889 46.035 45.100 0.077 0.000 0.759 260 G HN 0.287 nan 8.290 nan 0.000 0.562 261 I N 1.231 121.848 120.570 0.079 0.000 2.179 261 I HA -0.077 4.089 4.170 -0.007 0.000 0.242 261 I C 1.364 177.576 176.117 0.158 0.000 1.088 261 I CA 2.382 63.757 61.300 0.125 0.000 1.357 261 I CB -1.196 36.874 38.000 0.116 0.000 1.051 261 I HN 0.323 nan 8.210 nan 0.000 0.409 262 D N -0.215 120.313 120.400 0.213 0.000 2.527 262 D HA 0.244 4.880 4.640 -0.007 0.000 0.224 262 D C 0.770 177.198 176.300 0.213 0.000 1.217 262 D CA -0.498 53.621 54.000 0.199 0.000 0.819 262 D CB -0.534 40.364 40.800 0.165 0.000 1.061 262 D HN 0.424 nan 8.370 nan 0.000 0.515 263 I N 1.137 121.830 120.570 0.205 0.000 2.752 263 I HA 0.095 4.261 4.170 -0.007 0.000 0.287 263 I C -0.079 175.903 176.117 -0.225 0.000 1.188 263 I CA -0.004 61.339 61.300 0.072 0.000 1.427 263 I CB 0.368 38.293 38.000 -0.124 0.000 1.365 263 I HN -0.114 nan 8.210 nan 0.000 0.585 264 R N 5.679 126.049 120.500 -0.218 0.000 2.732 264 R HA 0.438 4.774 4.340 -0.007 0.000 0.278 264 R C -0.556 175.502 176.300 -0.403 0.000 0.976 264 R CA -0.398 55.560 56.100 -0.236 0.000 0.963 264 R CB 1.287 31.593 30.300 0.010 0.000 1.150 264 R HN 0.555 nan 8.270 nan 0.000 0.478 265 F N -1.295 118.747 119.950 0.152 0.000 2.577 265 F HA 0.213 4.735 4.527 -0.007 0.000 0.276 265 F C 0.373 176.226 175.800 0.089 0.000 1.032 265 F CA -0.403 57.673 58.000 0.126 0.000 1.297 265 F CB 0.395 39.450 39.000 0.091 0.000 1.061 265 F HN 0.291 nan 8.300 nan 0.000 0.680 266 D N 1.004 121.566 120.400 0.269 0.000 2.345 266 D HA 0.386 5.021 4.640 -0.007 0.000 0.247 266 D C 0.911 177.280 176.300 0.116 0.000 1.108 266 D CA 1.181 55.278 54.000 0.162 0.000 0.894 266 D CB 0.971 41.851 40.800 0.135 0.000 1.203 266 D HN 0.340 nan 8.370 nan 0.000 0.430 267 G N 3.072 111.925 108.800 0.087 0.000 2.598 267 G HA2 -0.343 3.612 3.960 -0.007 0.000 0.269 267 G HA3 -0.343 3.612 3.960 -0.007 0.000 0.269 267 G C 0.578 175.524 174.900 0.075 0.000 1.289 267 G CA 0.468 45.609 45.100 0.069 0.000 0.926 267 G HN 0.523 nan 8.290 nan 0.000 0.567 268 D N 0.515 120.954 120.400 0.065 0.000 2.219 268 D HA 0.246 4.882 4.640 -0.007 0.000 0.205 268 D C 2.684 179.033 176.300 0.082 0.000 0.970 268 D CA 2.060 56.101 54.000 0.067 0.000 0.851 268 D CB -0.262 40.569 40.800 0.052 0.000 0.943 268 D HN 0.804 nan 8.370 nan 0.000 0.488 269 A N 0.870 123.740 122.820 0.082 0.000 1.865 269 A HA -0.093 4.223 4.320 -0.007 0.000 0.217 269 A C 2.420 180.073 177.584 0.115 0.000 1.191 269 A CA 2.012 54.104 52.037 0.091 0.000 0.623 269 A CB -1.393 17.654 19.000 0.079 0.000 0.826 269 A HN 0.321 nan 8.150 nan 0.000 0.444 270 G N -0.825 108.046 108.800 0.118 0.000 2.442 270 G HA2 -0.225 3.731 3.960 -0.007 0.000 0.219 270 G HA3 -0.225 3.731 3.960 -0.007 0.000 0.219 270 G C 1.472 176.489 174.900 0.195 0.000 1.141 270 G CA 1.038 46.224 45.100 0.143 0.000 0.763 270 G HN 0.543 nan 8.290 nan 0.000 0.554 271 E N 0.207 120.505 120.200 0.162 0.000 2.047 271 E HA -0.101 4.245 4.350 -0.007 0.000 0.191 271 E C 2.296 179.015 176.600 0.199 0.000 0.987 271 E CA 0.893 57.402 56.400 0.181 0.000 0.799 271 E CB -0.218 29.552 29.700 0.116 0.000 0.752 271 E HN 0.630 nan 8.360 nan 0.000 0.449 272 E N 0.649 120.938 120.200 0.149 0.000 2.058 272 E HA -0.207 4.139 4.350 -0.007 0.000 0.194 272 E C 1.644 178.378 176.600 0.224 0.000 0.997 272 E CA 1.355 57.825 56.400 0.117 0.000 0.801 272 E CB 0.104 29.878 29.700 0.123 0.000 0.746 272 E HN 0.076 nan 8.360 nan 0.000 0.450 273 D N -0.282 120.302 120.400 0.306 0.000 2.123 273 D HA -0.172 4.463 4.640 -0.007 0.000 0.196 273 D C 1.580 178.140 176.300 0.433 0.000 0.992 273 D CA 0.739 54.982 54.000 0.406 0.000 0.833 273 D CB -0.343 40.649 40.800 0.319 0.000 0.954 273 D HN 0.181 nan 8.370 nan 0.000 0.455 274 F N 1.773 121.857 119.950 0.224 0.000 2.102 274 F HA -0.184 4.339 4.527 -0.007 0.000 0.298 274 F C 1.919 177.830 175.800 0.187 0.000 1.105 274 F CA 1.155 59.278 58.000 0.206 0.000 1.239 274 F CB -0.263 38.834 39.000 0.161 0.000 0.991 274 F HN -0.120 nan 8.300 nan 0.000 0.474 275 N N -0.152 118.603 118.700 0.093 0.000 2.094 275 N HA -0.231 4.505 4.740 -0.007 0.000 0.191 275 N C 1.859 177.295 175.510 -0.124 0.000 1.023 275 N CA 1.669 54.681 53.050 -0.063 0.000 0.857 275 N CB -0.969 37.475 38.487 -0.072 0.000 1.013 275 N HN 0.447 nan 8.380 nan 0.000 0.426 276 H N 0.636 119.713 119.070 0.013 0.000 2.422 276 H HA -0.013 4.539 4.556 -0.007 0.000 0.298 276 H C 2.233 177.616 175.328 0.093 0.000 1.098 276 H CA 0.656 56.713 56.048 0.015 0.000 1.315 276 H CB -0.137 29.577 29.762 -0.081 0.000 1.382 276 H HN 0.216 nan 8.280 nan 0.000 0.523 277 L N 0.083 121.417 121.223 0.184 0.000 2.027 277 L HA -0.171 4.164 4.340 -0.007 0.000 0.206 277 L C 2.503 179.353 176.870 -0.034 0.000 1.074 277 L CA 0.644 55.529 54.840 0.074 0.000 0.745 277 L CB -0.238 41.734 42.059 -0.144 0.000 0.898 277 L HN 0.193 nan 8.230 nan 0.000 0.433 278 I N 0.117 120.564 120.570 -0.204 0.000 2.163 278 I HA -0.271 3.895 4.170 -0.007 0.000 0.243 278 I C 2.749 178.812 176.117 -0.091 0.000 1.085 278 I CA 2.266 63.433 61.300 -0.222 0.000 1.347 278 I CB -1.578 36.295 38.000 -0.212 0.000 1.044 278 I HN 0.427 nan 8.210 nan 0.000 0.408 279 T N -0.601 113.934 114.554 -0.031 0.000 2.788 279 T HA -0.209 4.137 4.350 -0.007 0.000 0.268 279 T C 1.893 176.636 174.700 0.072 0.000 1.044 279 T CA 1.331 63.445 62.100 0.023 0.000 1.139 279 T CB -0.303 68.568 68.868 0.005 0.000 0.867 279 T HN 0.046 nan 8.240 nan 0.000 0.454 280 K N 2.015 122.479 120.400 0.107 0.000 2.097 280 K HA 0.237 4.553 4.320 -0.007 0.000 0.205 280 K C 2.353 179.059 176.600 0.177 0.000 1.050 280 K CA 1.182 57.575 56.287 0.177 0.000 0.938 280 K CB -0.846 31.815 32.500 0.267 0.000 0.718 280 K HN 0.421 nan 8.250 nan 0.000 0.442 281 A N 0.256 123.120 122.820 0.073 0.000 1.898 281 A HA -0.090 4.226 4.320 -0.007 0.000 0.214 281 A C 2.095 179.752 177.584 0.122 0.000 1.183 281 A CA 1.610 53.640 52.037 -0.012 0.000 0.622 281 A CB -0.631 17.973 19.000 -0.659 0.000 0.824 281 A HN 0.439 nan 8.150 nan 0.000 0.444 282 E N 0.935 121.211 120.200 0.126 0.000 2.085 282 E HA -0.198 4.148 4.350 -0.007 0.000 0.194 282 E C 2.130 178.902 176.600 0.286 0.000 0.994 282 E CA 2.043 58.643 56.400 0.333 0.000 0.801 282 E CB -0.399 29.439 29.700 0.230 0.000 0.743 282 E HN 0.624 nan 8.360 nan 0.000 0.453 283 S N -0.599 115.206 115.700 0.175 0.000 2.402 283 S HA -0.204 4.262 4.470 -0.007 0.000 0.233 283 S C 1.917 176.574 174.600 0.094 0.000 1.030 283 S CA 1.512 59.784 58.200 0.120 0.000 1.003 283 S CB -0.395 62.862 63.200 0.096 0.000 0.813 283 S HN 0.338 nan 8.310 nan 0.000 0.477 284 L N -0.990 120.304 121.223 0.118 0.000 2.298 284 L HA 0.246 4.582 4.340 -0.007 0.000 0.209 284 L C 2.363 179.366 176.870 0.222 0.000 1.084 284 L CA 0.837 55.697 54.840 0.033 0.000 0.816 284 L CB -0.596 41.319 42.059 -0.241 0.000 0.967 284 L HN 0.328 nan 8.230 nan 0.000 0.460 285 Y N 1.176 121.705 120.300 0.382 0.000 2.128 285 Y HA -0.336 4.210 4.550 -0.007 0.000 0.284 285 Y C 2.220 178.234 175.900 0.191 0.000 1.154 285 Y CA 1.919 60.272 58.100 0.420 0.000 1.149 285 Y CB -0.152 38.625 38.460 0.528 0.000 0.976 285 Y HN 0.224 nan 8.280 nan 0.000 0.505 286 D N 0.264 120.834 120.400 0.284 0.000 2.228 286 D HA -0.222 4.413 4.640 -0.007 0.000 0.203 286 D C 1.759 178.058 176.300 -0.002 0.000 0.988 286 D CA 2.103 56.182 54.000 0.132 0.000 0.864 286 D CB -0.408 40.474 40.800 0.137 0.000 0.928 286 D HN 0.659 nan 8.370 nan 0.000 0.469 287 M N -3.253 116.328 119.600 -0.031 0.000 2.383 287 M HA 0.426 4.902 4.480 -0.007 0.000 0.247 287 M C 0.973 177.195 176.300 -0.130 0.000 1.117 287 M CA 0.406 55.653 55.300 -0.087 0.000 0.995 287 M CB 1.119 33.657 32.600 -0.103 0.000 1.480 287 M HN -0.063 nan 8.290 nan 0.000 0.485 288 G N 0.686 109.392 108.800 -0.158 0.000 2.159 288 G HA2 -0.120 3.836 3.960 -0.007 0.000 0.170 288 G HA3 -0.120 3.836 3.960 -0.007 0.000 0.170 288 G C -0.269 174.551 174.900 -0.133 0.000 1.007 288 G CA -0.441 44.547 45.100 -0.186 0.000 0.672 288 G HN 0.291 nan 8.290 nan 0.000 0.507 289 V N 1.982 121.856 119.914 -0.067 0.000 2.470 289 V HA 0.423 4.539 4.120 -0.007 0.000 0.276 289 V C 1.243 177.393 176.094 0.093 0.000 1.040 289 V CA -0.064 62.227 62.300 -0.015 0.000 1.008 289 V CB 1.246 33.014 31.823 -0.093 0.000 0.990 289 V HN 0.300 nan 8.190 nan 0.000 0.477 290 R N 2.186 122.741 120.500 0.092 0.000 2.476 290 R HA 0.337 4.673 4.340 -0.007 0.000 0.276 290 R C 0.062 176.554 176.300 0.320 0.000 0.941 290 R CA -0.022 56.262 56.100 0.306 0.000 1.088 290 R CB 1.026 31.438 30.300 0.187 0.000 1.216 290 R HN 0.573 nan 8.270 nan 0.000 0.533 291 S N 0.429 116.150 115.700 0.035 0.000 2.526 291 S HA 0.745 5.210 4.470 -0.007 0.000 0.293 291 S C -1.206 173.261 174.600 -0.222 0.000 1.092 291 S CA -0.393 57.870 58.200 0.107 0.000 0.980 291 S CB 1.525 64.793 63.200 0.114 0.000 1.048 291 S HN 0.014 nan 8.310 nan 0.000 0.483 292 F N 0.775 120.849 119.950 0.208 0.000 2.613 292 F HA 0.770 5.293 4.527 -0.007 0.000 0.310 292 F C -0.014 175.719 175.800 -0.112 0.000 1.085 292 F CA -0.813 57.246 58.000 0.098 0.000 0.945 292 F CB 1.777 40.894 39.000 0.195 0.000 1.298 292 F HN 0.642 nan 8.300 nan 0.000 0.455 293 A N 2.471 125.180 122.820 -0.185 0.000 2.414 293 A HA 0.903 5.219 4.320 -0.007 0.000 0.306 293 A C -1.369 175.746 177.584 -0.781 0.000 1.054 293 A CA -0.581 51.130 52.037 -0.543 0.000 0.724 293 A CB 1.113 19.581 19.000 -0.887 0.000 1.267 293 A HN 0.697 nan 8.150 nan 0.000 0.418 294 I N 2.179 122.306 120.570 -0.739 0.000 2.410 294 I HA 0.331 4.497 4.170 -0.007 0.000 0.286 294 I C -1.225 174.423 176.117 -0.781 0.000 1.009 294 I CA -0.213 60.596 61.300 -0.819 0.000 1.111 294 I CB 1.224 38.797 38.000 -0.712 0.000 1.262 294 I HN 0.676 nan 8.210 nan 0.000 0.443 295 Y N 3.972 123.804 120.300 -0.780 0.000 2.377 295 Y HA 0.212 4.758 4.550 -0.007 0.000 0.339 295 Y C -0.146 175.262 175.900 -0.821 0.000 1.011 295 Y CA -0.733 56.988 58.100 -0.632 0.000 1.093 295 Y CB 1.981 40.209 38.460 -0.386 0.000 1.201 295 Y HN 0.634 nan 8.280 nan 0.000 0.455 296 W N 1.184 122.464 121.300 -0.034 0.000 2.846 296 W HA 0.077 4.733 4.660 -0.007 0.000 0.391 296 W C 0.008 176.432 176.519 -0.158 0.000 1.011 296 W CA -0.579 56.682 57.345 -0.139 0.000 1.832 296 W CB 0.436 29.816 29.460 -0.133 0.000 1.151 296 W HN 0.441 nan 8.180 nan 0.000 0.582 297 D N 0.921 121.236 120.400 -0.142 0.000 2.399 297 D HA -0.036 4.600 4.640 -0.007 0.000 0.241 297 D C 0.310 176.531 176.300 -0.132 0.000 1.133 297 D CA 0.260 54.054 54.000 -0.343 0.000 0.890 297 D CB 0.618 40.788 40.800 -1.050 0.000 1.201 297 D HN 0.223 nan 8.370 nan 0.000 0.432 298 D N -0.295 120.118 120.400 0.022 0.000 2.810 298 D HA -0.209 4.427 4.640 -0.007 0.000 0.224 298 D C 0.010 176.340 176.300 0.051 0.000 1.222 298 D CA 0.639 54.672 54.000 0.055 0.000 0.698 298 D CB -1.927 38.913 40.800 0.067 0.000 0.961 298 D HN 0.622 nan 8.370 nan 0.000 0.403 299 I N -5.585 115.023 120.570 0.064 0.000 2.957 299 I HA 0.411 4.577 4.170 -0.007 0.000 0.310 299 I C 1.059 177.209 176.117 0.055 0.000 1.063 299 I CA -1.276 60.072 61.300 0.080 0.000 1.033 299 I CB 1.500 39.582 38.000 0.137 0.000 1.230 299 I HN -0.206 nan 8.210 nan 0.000 0.447 300 Q N 0.715 120.551 119.800 0.060 0.000 2.089 300 Q HA -0.022 4.313 4.340 -0.007 0.000 0.195 300 Q C -0.011 176.020 176.000 0.051 0.000 0.963 300 Q CA 0.986 56.809 55.803 0.033 0.000 0.834 300 Q CB -0.157 28.601 28.738 0.033 0.000 0.906 300 Q HN 0.739 nan 8.270 nan 0.000 0.452 301 D N 2.213 122.686 120.400 0.121 0.000 2.536 301 D HA -0.082 4.554 4.640 -0.007 0.000 0.260 301 D C -0.529 175.849 176.300 0.130 0.000 1.270 301 D CA 0.635 54.729 54.000 0.157 0.000 0.934 301 D CB 0.157 41.135 40.800 0.297 0.000 1.129 301 D HN -0.106 nan 8.370 nan 0.000 0.533 302 K N 1.919 122.327 120.400 0.013 0.000 2.778 302 K HA 0.172 4.488 4.320 -0.007 0.000 0.238 302 K C -0.416 176.194 176.600 0.017 0.000 1.233 302 K CA -0.350 55.922 56.287 -0.025 0.000 1.195 302 K CB 0.351 32.788 32.500 -0.105 0.000 1.743 302 K HN 0.201 nan 8.250 nan 0.000 0.418 303 S N 0.479 116.027 115.700 -0.254 0.000 2.567 303 S HA 0.248 4.714 4.470 -0.007 0.000 0.262 303 S C 1.173 175.318 174.600 -0.759 0.000 1.237 303 S CA -0.752 57.184 58.200 -0.439 0.000 1.093 303 S CB 1.371 64.283 63.200 -0.479 0.000 1.095 303 S HN 0.447 nan 8.310 nan 0.000 0.489 304 A N 3.344 125.826 122.820 -0.563 0.000 1.892 304 A HA -0.031 4.285 4.320 -0.007 0.000 0.218 304 A C 2.312 179.578 177.584 -0.530 0.000 1.188 304 A CA 1.897 53.463 52.037 -0.785 0.000 0.631 304 A CB -1.165 17.260 19.000 -0.958 0.000 0.822 304 A HN 0.940 nan 8.150 nan 0.000 0.447 305 A N -0.463 122.097 122.820 -0.434 0.000 1.873 305 A HA -0.151 4.164 4.320 -0.007 0.000 0.215 305 A C 2.095 179.469 177.584 -0.351 0.000 1.186 305 A CA 1.877 53.708 52.037 -0.343 0.000 0.616 305 A CB -0.481 18.366 19.000 -0.256 0.000 0.823 305 A HN 0.544 nan 8.150 nan 0.000 0.442 306 K N -0.871 119.247 120.400 -0.469 0.000 2.044 306 K HA -0.223 4.093 4.320 -0.007 0.000 0.210 306 K C 1.903 178.281 176.600 -0.370 0.000 1.049 306 K CA 2.048 57.987 56.287 -0.581 0.000 0.927 306 K CB -0.443 31.305 32.500 -1.254 0.000 0.713 306 K HN 0.779 nan 8.250 nan 0.000 0.443 307 H N -0.754 117.976 119.070 -0.567 0.000 2.353 307 H HA -0.058 4.493 4.556 -0.007 0.000 0.300 307 H C 2.099 177.254 175.328 -0.288 0.000 1.090 307 H CA 0.662 56.289 56.048 -0.701 0.000 1.327 307 H CB 0.055 29.186 29.762 -1.052 0.000 1.383 307 H HN 0.286 nan 8.280 nan 0.000 0.508 308 A N 0.676 123.339 122.820 -0.263 0.000 1.968 308 A HA -0.165 4.151 4.320 -0.007 0.000 0.217 308 A C 2.230 179.738 177.584 -0.126 0.000 1.169 308 A CA 1.230 53.049 52.037 -0.362 0.000 0.638 308 A CB -0.165 18.418 19.000 -0.695 0.000 0.812 308 A HN 0.246 nan 8.150 nan 0.000 0.446 309 Q N 0.044 119.787 119.800 -0.094 0.000 2.172 309 Q HA -0.047 4.289 4.340 -0.007 0.000 0.200 309 Q C 1.846 177.880 176.000 0.056 0.000 0.964 309 Q CA 1.786 57.567 55.803 -0.038 0.000 0.855 309 Q CB -0.697 28.001 28.738 -0.067 0.000 0.918 309 Q HN 0.314 nan 8.270 nan 0.000 0.444 310 V N 0.602 120.627 119.914 0.184 0.000 2.255 310 V HA -0.302 3.814 4.120 -0.007 0.000 0.247 310 V C 2.327 178.668 176.094 0.412 0.000 1.051 310 V CA 1.964 64.485 62.300 0.370 0.000 1.018 310 V CB -0.656 31.529 31.823 0.603 0.000 0.641 310 V HN 0.378 nan 8.190 nan 0.000 0.445 311 L N 0.155 121.589 121.223 0.351 0.000 2.042 311 L HA -0.189 4.147 4.340 -0.007 0.000 0.210 311 L C 2.391 179.417 176.870 0.260 0.000 1.076 311 L CA 1.649 56.671 54.840 0.303 0.000 0.749 311 L CB -0.826 41.387 42.059 0.257 0.000 0.893 311 L HN 0.390 nan 8.230 nan 0.000 0.432 312 N N -0.394 118.396 118.700 0.150 0.000 2.270 312 N HA -0.111 4.625 4.740 -0.007 0.000 0.181 312 N C 1.926 177.510 175.510 0.123 0.000 1.016 312 N CA 0.736 53.849 53.050 0.105 0.000 0.870 312 N CB -0.235 38.265 38.487 0.021 0.000 0.979 312 N HN 0.194 nan 8.380 nan 0.000 0.431 313 R N 0.098 120.662 120.500 0.106 0.000 2.073 313 R HA -0.050 4.286 4.340 -0.007 0.000 0.234 313 R C 2.013 178.517 176.300 0.342 0.000 1.134 313 R CA 0.843 56.963 56.100 0.035 0.000 0.952 313 R CB -0.776 29.276 30.300 -0.413 0.000 0.850 313 R HN 0.255 nan 8.270 nan 0.000 0.433 314 F N 1.935 122.141 119.950 0.427 0.000 2.134 314 F HA -0.194 4.329 4.527 -0.007 0.000 0.299 314 F C 2.246 178.199 175.800 0.255 0.000 1.097 314 F CA 1.682 59.924 58.000 0.404 0.000 1.264 314 F CB -0.421 38.733 39.000 0.256 0.000 1.001 314 F HN 0.112 nan 8.300 nan 0.000 0.479 315 N N -0.125 118.828 118.700 0.422 0.000 2.205 315 N HA -0.256 4.480 4.740 -0.007 0.000 0.186 315 N C 1.788 177.377 175.510 0.132 0.000 1.015 315 N CA 1.492 54.706 53.050 0.274 0.000 0.862 315 N CB -0.080 38.544 38.487 0.230 0.000 0.986 315 N HN 0.419 nan 8.380 nan 0.000 0.429 316 E N 0.658 120.925 120.200 0.110 0.000 2.057 316 E HA -0.021 4.325 4.350 -0.007 0.000 0.190 316 E C 1.316 177.923 176.600 0.012 0.000 0.969 316 E CA 1.011 57.442 56.400 0.050 0.000 0.812 316 E CB 0.142 29.867 29.700 0.042 0.000 0.777 316 E HN 0.353 nan 8.360 nan 0.000 0.455 317 E N -1.277 118.947 120.200 0.039 0.000 2.442 317 E HA -0.005 4.340 4.350 -0.007 0.000 0.195 317 E C 0.968 177.521 176.600 -0.078 0.000 1.030 317 E CA 0.166 56.576 56.400 0.017 0.000 0.869 317 E CB 0.262 30.041 29.700 0.132 0.000 0.857 317 E HN 0.245 nan 8.360 nan 0.000 0.505 318 F N -0.303 119.421 119.950 -0.376 0.000 2.522 318 F HA 0.027 4.550 4.527 -0.007 0.000 0.275 318 F C 1.915 177.463 175.800 -0.419 0.000 0.890 318 F CA 0.210 57.843 58.000 -0.611 0.000 1.157 318 F CB -0.036 38.149 39.000 -1.359 0.000 1.117 318 F HN -0.264 nan 8.300 nan 0.000 0.787 319 V N 1.167 121.005 119.914 -0.127 0.000 2.261 319 V HA -0.285 3.831 4.120 -0.007 0.000 0.246 319 V C 2.149 178.201 176.094 -0.069 0.000 1.047 319 V CA 2.349 64.647 62.300 -0.005 0.000 1.015 319 V CB -0.678 31.266 31.823 0.201 0.000 0.642 319 V HN 0.218 nan 8.190 nan 0.000 0.446 320 K N 0.050 120.424 120.400 -0.042 0.000 2.155 320 K HA -0.008 4.308 4.320 -0.007 0.000 0.203 320 K C 2.228 178.774 176.600 -0.091 0.000 1.052 320 K CA 1.257 57.523 56.287 -0.035 0.000 0.948 320 K CB -0.369 32.128 32.500 -0.005 0.000 0.728 320 K HN 0.464 nan 8.250 nan 0.000 0.448 321 A N 1.524 124.250 122.820 -0.157 0.000 1.969 321 A HA -0.136 4.180 4.320 -0.007 0.000 0.218 321 A C 1.730 179.167 177.584 -0.244 0.000 1.169 321 A CA 1.295 53.221 52.037 -0.185 0.000 0.635 321 A CB -0.100 18.777 19.000 -0.205 0.000 0.810 321 A HN 0.122 nan 8.150 nan 0.000 0.445 322 K N -2.021 118.163 120.400 -0.360 0.000 2.186 322 K HA 0.139 4.455 4.320 -0.007 0.000 0.202 322 K C 1.513 178.033 176.600 -0.134 0.000 1.052 322 K CA 0.748 56.807 56.287 -0.379 0.000 0.965 322 K CB -0.046 31.993 32.500 -0.768 0.000 0.746 322 K HN 0.636 nan 8.250 nan 0.000 0.457 323 G N 2.528 111.280 108.800 -0.080 0.000 2.304 323 G HA2 -0.272 3.684 3.960 -0.007 0.000 0.252 323 G HA3 -0.272 3.684 3.960 -0.007 0.000 0.252 323 G C 0.435 175.365 174.900 0.049 0.000 1.014 323 G CA 0.826 45.922 45.100 -0.006 0.000 0.619 323 G HN 0.512 nan 8.290 nan 0.000 0.525 324 D N 0.179 120.635 120.400 0.092 0.000 2.571 324 D HA 0.366 5.002 4.640 -0.007 0.000 0.239 324 D C 0.345 176.775 176.300 0.216 0.000 1.267 324 D CA -0.032 54.053 54.000 0.141 0.000 0.823 324 D CB 0.106 40.988 40.800 0.138 0.000 1.056 324 D HN 0.350 nan 8.370 nan 0.000 0.494 325 V N 1.283 121.334 119.914 0.228 0.000 2.481 325 V HA 0.208 4.324 4.120 -0.007 0.000 0.286 325 V C 0.835 177.099 176.094 0.282 0.000 1.042 325 V CA -0.858 61.644 62.300 0.338 0.000 0.928 325 V CB 1.757 33.818 31.823 0.398 0.000 0.986 325 V HN -0.005 nan 8.190 nan 0.000 0.462 326 K N 3.808 124.390 120.400 0.303 0.000 2.187 326 K HA 0.258 4.574 4.320 -0.007 0.000 0.247 326 K C -2.343 174.423 176.600 0.276 0.000 1.019 326 K CA -1.421 55.020 56.287 0.256 0.000 0.893 326 K CB -0.053 32.593 32.500 0.243 0.000 1.025 326 K HN 0.379 nan 8.250 nan 0.000 0.500 327 P HA -0.075 nan 4.420 nan 0.000 0.261 327 P C -0.068 177.383 177.300 0.251 0.000 1.173 327 P CA 0.118 63.357 63.100 0.231 0.000 0.760 327 P CB 0.322 32.150 31.700 0.213 0.000 0.783 328 L N 4.789 126.162 121.223 0.250 0.000 2.490 328 L HA 0.171 4.507 4.340 -0.007 0.000 0.274 328 L C -0.128 176.829 176.870 0.145 0.000 1.201 328 L CA 0.354 55.337 54.840 0.238 0.000 0.869 328 L CB -0.023 42.198 42.059 0.271 0.000 1.123 328 L HN 0.332 nan 8.230 nan 0.000 0.484 329 I N 4.061 124.675 120.570 0.073 0.000 2.493 329 I HA 0.411 4.577 4.170 -0.007 0.000 0.298 329 I C 0.122 176.233 176.117 -0.009 0.000 0.998 329 I CA -0.222 61.079 61.300 0.001 0.000 1.137 329 I CB 2.087 40.043 38.000 -0.074 0.000 1.310 329 I HN 0.553 nan 8.210 nan 0.000 0.445 330 T N 3.995 118.624 114.554 0.124 0.000 2.816 330 T HA 0.646 4.991 4.350 -0.007 0.000 0.299 330 T C -1.931 172.974 174.700 0.341 0.000 1.230 330 T CA -0.507 61.745 62.100 0.254 0.000 1.007 330 T CB 2.023 71.115 68.868 0.373 0.000 1.289 330 T HN 0.360 nan 8.240 nan 0.000 0.508 331 V N 4.023 124.149 119.914 0.354 0.000 2.668 331 V HA 0.745 4.861 4.120 -0.007 0.000 0.304 331 V C -2.756 173.429 176.094 0.152 0.000 1.071 331 V CA -2.171 60.187 62.300 0.096 0.000 0.894 331 V CB 2.450 34.105 31.823 -0.280 0.000 1.008 331 V HN 0.761 nan 8.190 nan 0.000 0.425 332 P HA 0.403 nan 4.420 nan 0.000 0.278 332 P C 0.792 178.162 177.300 0.117 0.000 1.266 332 P CA -0.116 62.919 63.100 -0.109 0.000 0.807 332 P CB 0.792 32.050 31.700 -0.736 0.000 1.094 333 T N -1.502 113.090 114.554 0.064 0.000 2.759 333 T HA -0.123 4.222 4.350 -0.007 0.000 0.269 333 T C 0.298 174.891 174.700 -0.179 0.000 1.042 333 T CA 1.484 63.520 62.100 -0.106 0.000 1.140 333 T CB -0.518 68.119 68.868 -0.386 0.000 0.864 333 T HN 0.493 nan 8.240 nan 0.000 0.455 334 E N 1.000 121.016 120.200 -0.307 0.000 2.130 334 E HA 0.264 4.610 4.350 -0.007 0.000 0.284 334 E C -0.410 176.165 176.600 -0.042 0.000 1.018 334 E CA -0.359 55.904 56.400 -0.228 0.000 0.817 334 E CB 0.577 30.204 29.700 -0.122 0.000 1.078 334 E HN 0.682 nan 8.360 nan 0.000 0.396 335 Y N 0.691 120.946 120.300 -0.076 0.000 2.610 335 Y HA 0.241 4.787 4.550 -0.007 0.000 0.254 335 Y C -0.246 175.701 175.900 0.079 0.000 1.110 335 Y CA -0.841 57.244 58.100 -0.025 0.000 1.238 335 Y CB 0.484 38.838 38.460 -0.178 0.000 1.322 335 Y HN 0.258 nan 8.280 nan 0.000 0.547 336 D N -0.556 119.779 120.400 -0.109 0.000 2.527 336 D HA 0.187 4.823 4.640 -0.007 0.000 0.233 336 D C -0.050 176.316 176.300 0.110 0.000 1.063 336 D CA -0.506 53.536 54.000 0.070 0.000 0.880 336 D CB 2.399 43.148 40.800 -0.085 0.000 1.457 336 D HN -0.034 nan 8.370 nan 0.000 0.475 337 T N 1.047 115.742 114.554 0.234 0.000 2.759 337 T HA -0.072 4.274 4.350 -0.007 0.000 0.269 337 T C 1.903 176.635 174.700 0.053 0.000 1.042 337 T CA 1.648 63.847 62.100 0.165 0.000 1.140 337 T CB -0.565 68.434 68.868 0.218 0.000 0.864 337 T HN 0.715 nan 8.240 nan 0.000 0.455 338 G N 0.980 109.794 108.800 0.024 0.000 2.450 338 G HA2 -0.060 3.895 3.960 -0.007 0.000 0.220 338 G HA3 -0.060 3.895 3.960 -0.007 0.000 0.220 338 G C 1.658 176.518 174.900 -0.066 0.000 1.130 338 G CA 0.874 45.961 45.100 -0.023 0.000 0.760 338 G HN 0.615 nan 8.290 nan 0.000 0.557 339 A N -0.316 122.438 122.820 -0.110 0.000 2.081 339 A HA 0.433 4.749 4.320 -0.007 0.000 0.214 339 A C 2.252 179.776 177.584 -0.100 0.000 1.158 339 A CA 0.879 52.820 52.037 -0.160 0.000 0.724 339 A CB -0.031 18.785 19.000 -0.307 0.000 0.826 339 A HN 0.372 nan 8.150 nan 0.000 0.463 340 M N -1.062 118.512 119.600 -0.043 0.000 2.516 340 M HA 0.177 4.653 4.480 -0.007 0.000 0.259 340 M C -0.481 175.817 176.300 -0.002 0.000 1.146 340 M CA 0.602 55.906 55.300 0.006 0.000 1.122 340 M CB 0.870 33.503 32.600 0.055 0.000 1.341 340 M HN 0.026 nan 8.290 nan 0.000 0.478 341 V N -0.560 119.347 119.914 -0.011 0.000 2.789 341 V HA 0.455 4.571 4.120 -0.007 0.000 0.311 341 V C -0.875 175.207 176.094 -0.020 0.000 1.073 341 V CA -0.751 61.538 62.300 -0.017 0.000 0.921 341 V CB 2.100 33.916 31.823 -0.013 0.000 1.009 341 V HN 0.076 nan 8.190 nan 0.000 0.426 342 S N 3.787 119.473 115.700 -0.023 0.000 2.707 342 S HA 0.432 4.898 4.470 -0.007 0.000 0.303 342 S C -0.078 174.509 174.600 -0.021 0.000 1.132 342 S CA -0.591 57.596 58.200 -0.022 0.000 1.046 342 S CB 0.214 63.399 63.200 -0.024 0.000 1.004 342 S HN 0.842 nan 8.310 nan 0.000 0.483 343 N N 3.369 122.059 118.700 -0.017 0.000 2.669 343 N HA -0.199 4.537 4.740 -0.007 0.000 0.266 343 N C 0.908 176.407 175.510 -0.019 0.000 1.024 343 N CA 1.432 54.473 53.050 -0.015 0.000 0.766 343 N CB -1.448 37.031 38.487 -0.014 0.000 0.898 343 N HN 1.433 nan 8.380 nan 0.000 0.548 344 G N -1.331 107.458 108.800 -0.020 0.000 2.168 344 G HA2 -0.331 3.625 3.960 -0.007 0.000 0.263 344 G HA3 -0.331 3.625 3.960 -0.007 0.000 0.263 344 G C -0.131 174.747 174.900 -0.036 0.000 0.977 344 G CA 0.694 45.778 45.100 -0.026 0.000 0.659 344 G HN 0.532 nan 8.290 nan 0.000 0.533 345 Q N -0.073 119.706 119.800 -0.036 0.000 2.413 345 Q HA 0.496 4.832 4.340 -0.007 0.000 0.276 345 Q C -2.611 173.360 176.000 -0.048 0.000 1.099 345 Q CA -1.925 53.851 55.803 -0.045 0.000 0.814 345 Q CB 2.731 31.445 28.738 -0.040 0.000 1.379 345 Q HN 0.234 nan 8.270 nan 0.000 0.436 346 P HA 0.141 nan 4.420 nan 0.000 0.271 346 P C -0.231 177.043 177.300 -0.043 0.000 1.216 346 P CA -0.034 63.028 63.100 -0.064 0.000 0.776 346 P CB 1.044 32.681 31.700 -0.104 0.000 0.881 347 R N 1.382 121.869 120.500 -0.022 0.000 2.738 347 R HA 0.275 4.611 4.340 -0.007 0.000 0.275 347 R C 1.815 178.114 176.300 -0.000 0.000 1.121 347 R CA -0.153 55.942 56.100 -0.009 0.000 1.207 347 R CB -0.144 30.156 30.300 -0.001 0.000 1.141 347 R HN 0.473 nan 8.270 nan 0.000 0.571 348 A N 0.785 123.608 122.820 0.006 0.000 1.865 348 A HA -0.242 4.074 4.320 -0.007 0.000 0.217 348 A C 2.053 179.644 177.584 0.010 0.000 1.191 348 A CA 1.599 53.634 52.037 -0.004 0.000 0.623 348 A CB -0.878 18.118 19.000 -0.007 0.000 0.826 348 A HN 0.853 nan 8.150 nan 0.000 0.444 349 Y N 1.022 121.285 120.300 -0.062 0.000 2.070 349 Y HA -0.239 4.307 4.550 -0.007 0.000 0.280 349 Y C 2.734 178.631 175.900 -0.005 0.000 1.148 349 Y CA 2.654 60.723 58.100 -0.052 0.000 1.125 349 Y CB -0.778 37.641 38.460 -0.068 0.000 0.975 349 Y HN 0.303 nan 8.280 nan 0.000 0.492 350 T N 1.037 115.699 114.554 0.180 0.000 2.699 350 T HA -0.274 4.071 4.350 -0.007 0.000 0.268 350 T C 1.912 176.562 174.700 -0.082 0.000 1.036 350 T CA 1.829 63.976 62.100 0.077 0.000 1.147 350 T CB -0.387 68.523 68.868 0.070 0.000 0.862 350 T HN 0.380 nan 8.240 nan 0.000 0.446 351 R N 0.572 121.018 120.500 -0.091 0.000 2.073 351 R HA -0.025 4.311 4.340 -0.007 0.000 0.234 351 R C 2.387 178.602 176.300 -0.141 0.000 1.134 351 R CA 1.489 57.512 56.100 -0.127 0.000 0.952 351 R CB -0.396 29.847 30.300 -0.095 0.000 0.850 351 R HN 0.392 nan 8.270 nan 0.000 0.433 352 I N 0.036 120.517 120.570 -0.149 0.000 2.252 352 I HA -0.236 3.929 4.170 -0.007 0.000 0.245 352 I C 2.163 178.168 176.117 -0.187 0.000 1.102 352 I CA 1.014 62.208 61.300 -0.177 0.000 1.385 352 I CB -0.340 37.533 38.000 -0.211 0.000 1.064 352 I HN 0.177 nan 8.210 nan 0.000 0.414 353 F N 1.784 121.519 119.950 -0.358 0.000 2.051 353 F HA -0.272 4.251 4.527 -0.007 0.000 0.296 353 F C 2.627 178.371 175.800 -0.094 0.000 1.122 353 F CA 1.799 59.644 58.000 -0.258 0.000 1.201 353 F CB -0.294 38.541 39.000 -0.275 0.000 0.978 353 F HN 0.002 nan 8.300 nan 0.000 0.472 354 A N 0.349 123.172 122.820 0.004 0.000 1.917 354 A HA -0.305 4.011 4.320 -0.007 0.000 0.219 354 A C 1.887 179.399 177.584 -0.121 0.000 1.182 354 A CA 2.215 54.096 52.037 -0.261 0.000 0.633 354 A CB -1.060 17.522 19.000 -0.696 0.000 0.819 354 A HN 0.627 nan 8.150 nan 0.000 0.448 355 E N -0.940 119.178 120.200 -0.137 0.000 2.435 355 E HA -0.012 4.334 4.350 -0.007 0.000 0.195 355 E C 1.341 177.877 176.600 -0.107 0.000 1.029 355 E CA 1.576 57.911 56.400 -0.109 0.000 0.865 355 E CB -0.512 29.122 29.700 -0.110 0.000 0.833 355 E HN 0.425 nan 8.360 nan 0.000 0.510 356 T N -0.421 114.044 114.554 -0.149 0.000 3.042 356 T HA 0.159 4.505 4.350 -0.007 0.000 0.245 356 T C 0.603 175.203 174.700 -0.166 0.000 1.029 356 T CA 0.171 62.167 62.100 -0.172 0.000 1.120 356 T CB 0.202 68.926 68.868 -0.239 0.000 0.917 356 T HN 0.071 nan 8.240 nan 0.000 0.467 357 V N 3.345 123.139 119.914 -0.201 0.000 2.637 357 V HA 0.122 4.238 4.120 -0.007 0.000 0.296 357 V C -0.411 175.673 176.094 -0.016 0.000 1.046 357 V CA -0.521 61.682 62.300 -0.162 0.000 1.066 357 V CB 0.527 32.205 31.823 -0.240 0.000 0.968 357 V HN 0.331 nan 8.190 nan 0.000 0.483 358 D N 8.171 128.576 120.400 0.009 0.000 2.458 358 D HA 0.108 4.744 4.640 -0.007 0.000 0.243 358 D C -1.476 174.870 176.300 0.077 0.000 1.146 358 D CA -1.173 52.853 54.000 0.044 0.000 0.877 358 D CB 1.325 42.160 40.800 0.059 0.000 1.176 358 D HN 0.401 nan 8.370 nan 0.000 0.461 359 P HA -0.171 nan 4.420 nan 0.000 0.218 359 P C 1.204 178.566 177.300 0.102 0.000 1.146 359 P CA 1.244 64.398 63.100 0.091 0.000 0.813 359 P CB 0.152 31.896 31.700 0.073 0.000 0.778 360 S N -1.470 114.289 115.700 0.099 0.000 2.447 360 S HA -0.045 4.421 4.470 -0.007 0.000 0.233 360 S C 0.925 175.603 174.600 0.130 0.000 1.006 360 S CA 0.360 58.627 58.200 0.112 0.000 0.957 360 S CB -1.101 62.163 63.200 0.108 0.000 0.773 360 S HN 0.067 nan 8.310 nan 0.000 0.507 361 I N 2.516 123.163 120.570 0.129 0.000 2.496 361 I HA 0.139 4.305 4.170 -0.007 0.000 0.285 361 I C 0.406 176.595 176.117 0.121 0.000 1.080 361 I CA 0.008 61.391 61.300 0.138 0.000 1.404 361 I CB 0.582 38.669 38.000 0.145 0.000 1.403 361 I HN 0.181 nan 8.210 nan 0.000 0.539 362 E N 5.789 126.049 120.200 0.100 0.000 2.167 362 E HA 0.300 4.646 4.350 -0.007 0.000 0.284 362 E C -1.009 175.598 176.600 0.011 0.000 1.016 362 E CA -0.412 56.014 56.400 0.043 0.000 0.817 362 E CB 2.030 31.718 29.700 -0.019 0.000 1.080 362 E HN 0.263 nan 8.360 nan 0.000 0.397 363 V N 5.379 125.282 119.914 -0.017 0.000 2.398 363 V HA 0.309 4.425 4.120 -0.007 0.000 0.286 363 V C 0.297 176.385 176.094 -0.010 0.000 1.026 363 V CA -0.512 61.751 62.300 -0.062 0.000 0.868 363 V CB 1.314 32.918 31.823 -0.364 0.000 0.982 363 V HN 0.614 nan 8.190 nan 0.000 0.443 364 M N 5.020 124.657 119.600 0.061 0.000 2.314 364 M HA 0.542 5.018 4.480 -0.007 0.000 0.342 364 M C -0.559 175.917 176.300 0.292 0.000 1.171 364 M CA -0.166 55.239 55.300 0.174 0.000 1.098 364 M CB 1.391 34.081 32.600 0.151 0.000 1.559 364 M HN 0.880 nan 8.290 nan 0.000 0.459 365 W N 0.806 122.144 121.300 0.065 0.000 3.062 365 W HA 0.580 5.236 4.660 -0.007 0.000 0.336 365 W C -0.019 176.607 176.519 0.178 0.000 1.224 365 W CA -0.658 56.745 57.345 0.097 0.000 1.159 365 W CB 0.904 30.419 29.460 0.092 0.000 1.454 365 W HN 0.705 nan 8.180 nan 0.000 0.569 366 T N -0.089 114.340 114.554 -0.208 0.000 3.086 366 T HA 0.508 4.854 4.350 -0.007 0.000 0.250 366 T C 0.789 175.275 174.700 -0.358 0.000 1.074 366 T CA 0.576 62.552 62.100 -0.207 0.000 0.988 366 T CB -0.419 68.428 68.868 -0.035 0.000 0.988 366 T HN 1.911 nan 8.240 nan 0.000 0.530 367 G N 1.923 110.114 108.800 -1.015 0.000 2.500 367 G HA2 -0.057 3.899 3.960 -0.007 0.000 0.209 367 G HA3 -0.057 3.899 3.960 -0.007 0.000 0.209 367 G C -2.499 172.501 174.900 0.166 0.000 1.283 367 G CA -0.393 44.513 45.100 -0.324 0.000 0.960 367 G HN 0.045 nan 8.290 nan 0.000 0.528 368 P HA 0.182 nan 4.420 nan 0.000 0.221 368 P C 1.070 178.442 177.300 0.120 0.000 1.145 368 P CA 2.363 65.584 63.100 0.200 0.000 0.795 368 P CB 0.010 31.809 31.700 0.166 0.000 0.775 369 G N -2.708 106.146 108.800 0.089 0.000 2.708 369 G HA2 0.328 4.284 3.960 -0.007 0.000 0.289 369 G HA3 0.328 4.284 3.960 -0.007 0.000 0.289 369 G C 0.534 175.449 174.900 0.026 0.000 1.416 369 G CA -0.464 44.662 45.100 0.043 0.000 0.829 369 G HN -0.227 nan 8.290 nan 0.000 0.480 370 V N -0.657 119.276 119.914 0.031 0.000 2.295 370 V HA -0.010 4.105 4.120 -0.007 0.000 0.246 370 V C 0.923 177.049 176.094 0.054 0.000 1.049 370 V CA 1.231 63.572 62.300 0.069 0.000 1.024 370 V CB -0.413 31.447 31.823 0.062 0.000 0.648 370 V HN 0.362 nan 8.190 nan 0.000 0.447 371 V N 1.165 121.112 119.914 0.055 0.000 2.419 371 V HA 0.517 4.633 4.120 -0.007 0.000 0.287 371 V C -0.310 175.700 176.094 -0.141 0.000 1.017 371 V CA -0.234 61.964 62.300 -0.169 0.000 0.844 371 V CB 1.327 32.916 31.823 -0.390 0.000 1.011 371 V HN 0.533 nan 8.190 nan 0.000 0.429 372 T N 0.296 114.762 114.554 -0.148 0.000 2.901 372 T HA 0.414 4.759 4.350 -0.007 0.000 0.293 372 T C 0.807 175.545 174.700 0.062 0.000 1.084 372 T CA -0.833 61.261 62.100 -0.009 0.000 1.008 372 T CB 1.814 70.739 68.868 0.094 0.000 1.170 372 T HN 0.245 nan 8.240 nan 0.000 0.509 373 N N 1.028 119.782 118.700 0.091 0.000 2.069 373 N HA -0.050 4.686 4.740 -0.007 0.000 0.191 373 N C 0.292 175.937 175.510 0.224 0.000 1.031 373 N CA 1.306 54.433 53.050 0.128 0.000 0.852 373 N CB -0.064 38.471 38.487 0.079 0.000 1.018 373 N HN 0.732 nan 8.380 nan 0.000 0.423 374 E N -0.870 119.472 120.200 0.236 0.000 2.413 374 E HA 0.457 4.803 4.350 -0.007 0.000 0.277 374 E C -0.837 175.859 176.600 0.161 0.000 0.958 374 E CA -0.522 55.968 56.400 0.150 0.000 0.779 374 E CB 2.420 32.156 29.700 0.060 0.000 1.278 374 E HN -0.074 nan 8.360 nan 0.000 0.456 375 I N 2.374 122.946 120.570 0.004 0.000 2.464 375 I HA 0.294 4.460 4.170 -0.007 0.000 0.277 375 I C -2.477 173.680 176.117 0.066 0.000 1.040 375 I CA -2.172 59.161 61.300 0.056 0.000 1.153 375 I CB 1.033 39.024 38.000 -0.015 0.000 1.274 375 I HN 0.086 nan 8.210 nan 0.000 0.469 376 P HA 0.096 nan 4.420 nan 0.000 0.274 376 P C 0.730 178.113 177.300 0.138 0.000 1.231 376 P CA -0.536 62.622 63.100 0.096 0.000 0.790 376 P CB 1.195 32.946 31.700 0.085 0.000 0.951 377 L N 2.849 124.154 121.223 0.137 0.000 2.081 377 L HA -0.242 4.094 4.340 -0.007 0.000 0.212 377 L C 2.212 179.170 176.870 0.147 0.000 1.080 377 L CA 2.638 57.592 54.840 0.191 0.000 0.754 377 L CB -1.518 40.654 42.059 0.188 0.000 0.893 377 L HN 0.475 nan 8.230 nan 0.000 0.433 378 S N -1.902 113.854 115.700 0.094 0.000 2.399 378 S HA -0.236 4.230 4.470 -0.007 0.000 0.231 378 S C 1.831 176.438 174.600 0.011 0.000 1.022 378 S CA 1.317 59.538 58.200 0.035 0.000 0.983 378 S CB -0.742 62.483 63.200 0.041 0.000 0.803 378 S HN 0.632 nan 8.310 nan 0.000 0.480 379 D N 1.752 122.208 120.400 0.092 0.000 2.117 379 D HA 0.092 4.728 4.640 -0.007 0.000 0.198 379 D C 2.122 178.484 176.300 0.105 0.000 0.982 379 D CA 1.280 55.370 54.000 0.150 0.000 0.828 379 D CB -0.498 40.481 40.800 0.298 0.000 0.967 379 D HN 0.489 nan 8.370 nan 0.000 0.464 380 A N 0.204 123.128 122.820 0.173 0.000 1.902 380 A HA -0.226 4.089 4.320 -0.007 0.000 0.217 380 A C 2.161 179.484 177.584 -0.434 0.000 1.181 380 A CA 1.782 53.833 52.037 0.024 0.000 0.623 380 A CB -0.902 18.318 19.000 0.367 0.000 0.818 380 A HN 0.393 nan 8.150 nan 0.000 0.443 381 Q N -0.854 118.530 119.800 -0.693 0.000 2.045 381 Q HA -0.237 4.098 4.340 -0.007 0.000 0.206 381 Q C 2.017 177.696 176.000 -0.536 0.000 0.991 381 Q CA 1.982 57.104 55.803 -1.135 0.000 0.851 381 Q CB -0.307 28.021 28.738 -0.682 0.000 0.911 381 Q HN 0.515 nan 8.270 nan 0.000 0.418 382 L N 0.646 121.684 121.223 -0.308 0.000 1.990 382 L HA -0.233 4.102 4.340 -0.007 0.000 0.213 382 L C 2.184 178.917 176.870 -0.228 0.000 1.072 382 L CA 1.747 56.465 54.840 -0.203 0.000 0.755 382 L CB -0.657 41.331 42.059 -0.119 0.000 0.889 382 L HN 0.357 nan 8.230 nan 0.000 0.432 383 I N -1.186 119.189 120.570 -0.326 0.000 2.286 383 I HA -0.197 3.969 4.170 -0.007 0.000 0.245 383 I C 2.729 178.707 176.117 -0.232 0.000 1.104 383 I CA 1.611 62.686 61.300 -0.375 0.000 1.397 383 I CB -1.607 35.848 38.000 -0.909 0.000 1.072 383 I HN 0.388 nan 8.210 nan 0.000 0.417 384 S N 1.027 116.555 115.700 -0.288 0.000 2.383 384 S HA -0.141 4.325 4.470 -0.007 0.000 0.229 384 S C 2.144 176.720 174.600 -0.039 0.000 1.030 384 S CA 1.687 59.824 58.200 -0.104 0.000 1.002 384 S CB -0.569 62.591 63.200 -0.066 0.000 0.829 384 S HN 0.533 nan 8.310 nan 0.000 0.467 385 G N 1.083 109.812 108.800 -0.118 0.000 2.408 385 G HA2 -0.050 3.906 3.960 -0.007 0.000 0.217 385 G HA3 -0.050 3.906 3.960 -0.007 0.000 0.217 385 G C 1.417 176.277 174.900 -0.065 0.000 1.150 385 G CA 0.769 45.825 45.100 -0.074 0.000 0.776 385 G HN 0.570 nan 8.290 nan 0.000 0.542 386 I N -0.907 119.606 120.570 -0.097 0.000 2.252 386 I HA -0.133 4.033 4.170 -0.007 0.000 0.245 386 I C 2.153 178.148 176.117 -0.203 0.000 1.102 386 I CA 1.001 62.206 61.300 -0.158 0.000 1.385 386 I CB -0.115 37.767 38.000 -0.196 0.000 1.064 386 I HN 0.134 nan 8.210 nan 0.000 0.414 387 Y N 0.192 120.463 120.300 -0.047 0.000 2.511 387 Y HA 0.014 4.560 4.550 -0.007 0.000 0.279 387 Y C 1.045 176.953 175.900 0.014 0.000 1.157 387 Y CA 0.148 58.249 58.100 0.002 0.000 1.300 387 Y CB -0.154 38.318 38.460 0.021 0.000 1.052 387 Y HN 0.228 nan 8.280 nan 0.000 0.529 388 N N 0.968 119.728 118.700 0.101 0.000 2.735 388 N HA -0.243 4.493 4.740 -0.007 0.000 0.248 388 N C -1.146 174.434 175.510 0.116 0.000 1.083 388 N CA 0.962 54.061 53.050 0.082 0.000 0.703 388 N CB -0.710 37.808 38.487 0.052 0.000 1.005 388 N HN 0.495 nan 8.380 nan 0.000 0.550 389 R N -1.709 118.876 120.500 0.142 0.000 2.756 389 R HA 0.432 4.768 4.340 -0.007 0.000 0.273 389 R C -0.752 175.640 176.300 0.153 0.000 1.030 389 R CA -0.848 55.337 56.100 0.141 0.000 0.887 389 R CB -0.135 30.250 30.300 0.140 0.000 1.274 389 R HN 0.090 nan 8.270 nan 0.000 0.461 390 N N 0.480 119.274 118.700 0.157 0.000 2.483 390 N HA 0.189 4.924 4.740 -0.007 0.000 0.264 390 N C -0.391 175.228 175.510 0.181 0.000 1.197 390 N CA 0.083 53.243 53.050 0.183 0.000 0.927 390 N CB 0.414 39.005 38.487 0.174 0.000 1.065 390 N HN 0.238 nan 8.380 nan 0.000 0.461 391 M N 1.496 121.223 119.600 0.212 0.000 2.471 391 M HA 0.508 4.984 4.480 -0.007 0.000 0.309 391 M C 0.051 176.558 176.300 0.345 0.000 1.186 391 M CA -0.946 54.485 55.300 0.219 0.000 1.008 391 M CB 1.228 33.913 32.600 0.141 0.000 1.551 391 M HN 0.505 nan 8.290 nan 0.000 0.477 392 A N 1.373 124.383 122.820 0.317 0.000 2.324 392 A HA 0.707 5.023 4.320 -0.007 0.000 0.330 392 A C -0.730 177.093 177.584 0.398 0.000 1.165 392 A CA -0.639 51.574 52.037 0.294 0.000 0.813 392 A CB 0.864 19.802 19.000 -0.104 0.000 1.197 392 A HN 0.571 nan 8.150 nan 0.000 0.484 393 V N 2.719 122.826 119.914 0.322 0.000 2.435 393 V HA 0.306 4.422 4.120 -0.007 0.000 0.290 393 V C -0.708 175.439 176.094 0.088 0.000 1.030 393 V CA -0.493 61.884 62.300 0.129 0.000 0.881 393 V CB 1.500 33.373 31.823 0.084 0.000 0.983 393 V HN 0.875 nan 8.190 nan 0.000 0.445 394 W N 7.251 128.483 121.300 -0.113 0.000 2.298 394 W HA 0.318 4.974 4.660 -0.007 0.000 0.327 394 W C -0.817 175.673 176.519 -0.048 0.000 0.988 394 W CA -1.722 55.548 57.345 -0.124 0.000 1.448 394 W CB 1.097 30.448 29.460 -0.181 0.000 1.243 394 W HN 0.741 nan 8.180 nan 0.000 0.388 395 W N 8.558 129.821 121.300 -0.062 0.000 2.316 395 W HA 0.189 4.845 4.660 -0.007 0.000 0.308 395 W C -0.140 176.470 176.519 0.152 0.000 1.106 395 W CA -0.459 56.883 57.345 -0.006 0.000 1.262 395 W CB 0.844 30.217 29.460 -0.145 0.000 1.233 395 W HN 0.257 nan 8.180 nan 0.000 0.447 396 N N 6.490 125.046 118.700 -0.240 0.000 3.254 396 N HA -0.010 4.726 4.740 -0.007 0.000 0.308 396 N C -1.543 173.844 175.510 -0.205 0.000 1.281 396 N CA 0.425 53.414 53.050 -0.101 0.000 1.212 396 N CB -0.307 38.206 38.487 0.043 0.000 1.478 396 N HN 0.439 nan 8.380 nan 0.000 0.548 397 Y N 0.389 120.497 120.300 -0.321 0.000 2.376 397 Y HA 0.248 4.794 4.550 -0.007 0.000 0.321 397 Y C -2.389 173.575 175.900 0.107 0.000 1.189 397 Y CA -1.369 56.662 58.100 -0.115 0.000 1.069 397 Y CB 2.289 40.636 38.460 -0.188 0.000 1.292 397 Y HN 0.045 nan 8.280 nan 0.000 0.430 398 P HA 0.030 nan 4.420 nan 0.000 0.258 398 P C 0.125 177.265 177.300 -0.268 0.000 1.416 398 P CA 0.286 63.084 63.100 -0.504 0.000 0.927 398 P CB 0.372 31.910 31.700 -0.269 0.000 1.444 399 V N 2.293 122.162 119.914 -0.075 0.000 2.752 399 V HA -0.046 4.070 4.120 -0.007 0.000 0.306 399 V C 1.191 177.221 176.094 -0.107 0.000 1.099 399 V CA 1.909 64.190 62.300 -0.031 0.000 1.240 399 V CB 0.161 32.069 31.823 0.142 0.000 0.887 399 V HN 0.400 nan 8.190 nan 0.000 0.499 400 T N 0.706 115.131 114.554 -0.216 0.000 3.200 400 T HA 0.177 4.523 4.350 -0.007 0.000 0.284 400 T C 0.846 175.303 174.700 -0.405 0.000 1.009 400 T CA 0.274 62.126 62.100 -0.413 0.000 0.907 400 T CB -0.079 68.636 68.868 -0.254 0.000 1.120 400 T HN 0.840 nan 8.240 nan 0.000 0.534 401 D N 2.053 122.366 120.400 -0.145 0.000 2.218 401 D HA -0.217 4.419 4.640 -0.007 0.000 0.204 401 D C 1.499 177.858 176.300 0.097 0.000 0.976 401 D CA 1.143 55.177 54.000 0.057 0.000 0.853 401 D CB -0.798 40.185 40.800 0.304 0.000 0.939 401 D HN 0.750 nan 8.370 nan 0.000 0.481 402 Y N -2.681 117.733 120.300 0.190 0.000 2.466 402 Y HA 0.401 4.947 4.550 -0.007 0.000 0.272 402 Y C 0.027 176.066 175.900 0.231 0.000 1.169 402 Y CA -1.086 57.143 58.100 0.215 0.000 1.285 402 Y CB -0.148 38.454 38.460 0.236 0.000 1.078 402 Y HN -0.084 nan 8.280 nan 0.000 0.523 403 F N 1.477 121.146 119.950 -0.467 0.000 2.946 403 F HA 0.353 4.876 4.527 -0.007 0.000 0.399 403 F C 0.207 175.815 175.800 -0.320 0.000 1.269 403 F CA -1.439 56.361 58.000 -0.335 0.000 1.165 403 F CB 0.333 39.146 39.000 -0.312 0.000 2.380 403 F HN -0.157 nan 8.300 nan 0.000 0.589 404 K N 0.334 120.526 120.400 -0.348 0.000 2.486 404 K HA 0.094 4.410 4.320 -0.007 0.000 0.194 404 K C 1.988 178.386 176.600 -0.337 0.000 1.033 404 K CA 0.762 56.943 56.287 -0.178 0.000 1.004 404 K CB 0.169 32.738 32.500 0.115 0.000 0.798 404 K HN 0.631 nan 8.250 nan 0.000 0.495 405 G N 1.888 110.125 108.800 -0.939 0.000 2.422 405 G HA2 -0.198 3.758 3.960 -0.007 0.000 0.218 405 G HA3 -0.198 3.758 3.960 -0.007 0.000 0.218 405 G C 0.518 175.043 174.900 -0.625 0.000 1.140 405 G CA 0.231 44.552 45.100 -1.299 0.000 0.775 405 G HN 0.157 nan 8.290 nan 0.000 0.545 406 K N 0.147 120.270 120.400 -0.463 0.000 2.156 406 K HA 0.539 4.855 4.320 -0.007 0.000 0.271 406 K C -0.615 175.914 176.600 -0.119 0.000 0.995 406 K CA -0.610 55.565 56.287 -0.187 0.000 0.890 406 K CB 0.818 33.312 32.500 -0.010 0.000 1.073 406 K HN -0.007 nan 8.250 nan 0.000 0.454 407 L N 3.276 124.449 121.223 -0.083 0.000 2.292 407 L HA 0.416 4.752 4.340 -0.007 0.000 0.284 407 L C -0.045 176.783 176.870 -0.070 0.000 1.065 407 L CA -0.786 54.023 54.840 -0.052 0.000 0.806 407 L CB 1.665 43.706 42.059 -0.030 0.000 1.175 407 L HN 0.683 nan 8.230 nan 0.000 0.431 408 A N 4.320 127.074 122.820 -0.110 0.000 2.391 408 A HA 0.503 4.819 4.320 -0.007 0.000 0.316 408 A C 0.200 177.745 177.584 -0.064 0.000 1.381 408 A CA -0.223 51.694 52.037 -0.201 0.000 0.998 408 A CB 0.052 18.686 19.000 -0.609 0.000 1.147 408 A HN 0.620 nan 8.150 nan 0.000 0.545 409 L N 2.683 123.957 121.223 0.085 0.000 2.959 409 L HA 0.298 4.633 4.340 -0.007 0.000 0.259 409 L C 1.209 178.336 176.870 0.428 0.000 1.185 409 L CA 0.323 55.292 54.840 0.216 0.000 0.998 409 L CB 0.164 42.302 42.059 0.133 0.000 1.337 409 L HN 0.706 nan 8.230 nan 0.000 0.555 410 G N -0.307 108.747 108.800 0.423 0.000 2.531 410 G HA2 0.588 4.544 3.960 -0.007 0.000 0.313 410 G HA3 0.588 4.544 3.960 -0.007 0.000 0.313 410 G C -2.711 172.496 174.900 0.513 0.000 1.238 410 G CA -1.007 44.288 45.100 0.325 0.000 0.994 410 G HN -0.101 nan 8.290 nan 0.000 0.493 411 P HA 0.197 nan 4.420 nan 0.000 0.278 411 P C 0.012 177.497 177.300 0.308 0.000 1.258 411 P CA -0.576 62.806 63.100 0.469 0.000 0.811 411 P CB 0.789 32.806 31.700 0.527 0.000 1.063 412 M N 1.848 121.657 119.600 0.349 0.000 2.286 412 M HA -0.050 4.426 4.480 -0.007 0.000 0.365 412 M C 0.601 176.957 176.300 0.094 0.000 1.443 412 M CA 1.476 56.852 55.300 0.127 0.000 0.951 412 M CB -1.560 30.925 32.600 -0.191 0.000 1.961 412 M HN 0.536 nan 8.290 nan 0.000 0.468 413 H N 0.616 119.583 119.070 -0.171 0.000 2.947 413 H HA 0.392 4.944 4.556 -0.007 0.000 0.354 413 H C 0.648 175.860 175.328 -0.194 0.000 1.085 413 H CA 0.875 56.764 56.048 -0.265 0.000 1.253 413 H CB 1.463 30.971 29.762 -0.422 0.000 1.757 413 H HN 0.834 nan 8.280 nan 0.000 0.523 414 G N 3.790 112.201 108.800 -0.648 0.000 2.176 414 G HA2 -0.226 3.729 3.960 -0.007 0.000 0.232 414 G HA3 -0.226 3.729 3.960 -0.007 0.000 0.232 414 G C -0.195 174.517 174.900 -0.312 0.000 0.986 414 G CA 0.197 45.073 45.100 -0.373 0.000 0.643 414 G HN 0.486 nan 8.290 nan 0.000 0.522 415 L N 1.880 122.830 121.223 -0.456 0.000 2.264 415 L HA 0.395 4.731 4.340 -0.007 0.000 0.289 415 L C 0.580 177.338 176.870 -0.185 0.000 1.044 415 L CA -0.884 53.661 54.840 -0.492 0.000 0.807 415 L CB 1.156 42.630 42.059 -0.976 0.000 1.192 415 L HN 0.146 nan 8.230 nan 0.000 0.425 416 D N 2.852 123.227 120.400 -0.041 0.000 2.506 416 D HA -0.088 4.548 4.640 -0.007 0.000 0.234 416 D C 0.529 176.916 176.300 0.145 0.000 1.143 416 D CA 0.461 54.498 54.000 0.061 0.000 0.871 416 D CB 1.009 41.863 40.800 0.089 0.000 1.190 416 D HN 0.511 nan 8.370 nan 0.000 0.459 417 K N 1.525 122.003 120.400 0.130 0.000 2.487 417 K HA 0.096 4.412 4.320 -0.007 0.000 0.192 417 K C 1.252 177.866 176.600 0.024 0.000 1.027 417 K CA 0.101 56.458 56.287 0.117 0.000 1.054 417 K CB 0.535 33.117 32.500 0.137 0.000 0.824 417 K HN 0.405 nan 8.250 nan 0.000 0.510 418 G N 0.114 108.938 108.800 0.041 0.000 3.774 418 G HA2 0.014 3.970 3.960 -0.007 0.000 0.287 418 G HA3 0.014 3.970 3.960 -0.007 0.000 0.287 418 G C 0.739 175.661 174.900 0.036 0.000 1.030 418 G CA -0.275 44.833 45.100 0.013 0.000 0.824 418 G HN 0.054 nan 8.290 nan 0.000 0.518 419 L N 1.957 123.221 121.223 0.069 0.000 2.187 419 L HA -0.095 4.241 4.340 -0.007 0.000 0.213 419 L C 2.639 179.574 176.870 0.109 0.000 1.100 419 L CA 1.473 56.401 54.840 0.147 0.000 0.765 419 L CB -0.282 41.884 42.059 0.178 0.000 0.904 419 L HN 0.471 nan 8.230 nan 0.000 0.437 420 N N -0.503 118.193 118.700 -0.007 0.000 2.513 420 N HA -0.290 4.445 4.740 -0.007 0.000 0.187 420 N C 1.658 177.136 175.510 -0.053 0.000 1.056 420 N CA 1.236 54.269 53.050 -0.028 0.000 0.907 420 N CB -0.495 37.934 38.487 -0.097 0.000 0.954 420 N HN 0.628 nan 8.380 nan 0.000 0.445 421 Q N -0.592 119.130 119.800 -0.131 0.000 2.224 421 Q HA -0.111 4.225 4.340 -0.007 0.000 0.203 421 Q C 0.405 176.111 176.000 -0.489 0.000 0.970 421 Q CA 1.176 56.759 55.803 -0.367 0.000 0.865 421 Q CB 0.024 28.432 28.738 -0.550 0.000 0.922 421 Q HN 0.538 nan 8.270 nan 0.000 0.445 422 Y N -1.802 118.552 120.300 0.090 0.000 2.527 422 Y HA 0.333 4.879 4.550 -0.007 0.000 0.247 422 Y C -0.456 175.535 175.900 0.151 0.000 1.138 422 Y CA -0.442 57.719 58.100 0.101 0.000 1.228 422 Y CB 1.490 40.002 38.460 0.086 0.000 1.252 422 Y HN -0.204 nan 8.280 nan 0.000 0.531 423 V N 0.628 120.715 119.914 0.288 0.000 2.531 423 V HA 0.269 4.385 4.120 -0.007 0.000 0.301 423 V C -0.734 175.501 176.094 0.235 0.000 1.034 423 V CA -0.611 61.883 62.300 0.323 0.000 0.865 423 V CB 2.003 34.068 31.823 0.403 0.000 0.995 423 V HN -0.022 nan 8.190 nan 0.000 0.424 424 D N 3.062 123.620 120.400 0.262 0.000 2.623 424 D HA 0.309 4.945 4.640 -0.007 0.000 0.252 424 D C -0.845 175.622 176.300 0.278 0.000 1.294 424 D CA 0.203 54.328 54.000 0.207 0.000 0.824 424 D CB 0.207 41.100 40.800 0.155 0.000 1.070 424 D HN 0.380 nan 8.370 nan 0.000 0.487 425 F N 1.020 121.090 119.950 0.199 0.000 2.991 425 F HA 0.302 4.825 4.527 -0.007 0.000 0.355 425 F C -1.979 173.982 175.800 0.267 0.000 1.262 425 F CA -1.091 57.031 58.000 0.203 0.000 1.127 425 F CB 0.923 40.031 39.000 0.179 0.000 1.447 425 F HN -0.240 nan 8.300 nan 0.000 0.584 426 F N 5.754 125.872 119.950 0.281 0.000 2.496 426 F HA 0.606 5.129 4.527 -0.007 0.000 0.341 426 F C -0.578 175.350 175.800 0.213 0.000 1.134 426 F CA -0.254 57.895 58.000 0.247 0.000 0.968 426 F CB 1.304 40.401 39.000 0.161 0.000 1.205 426 F HN 0.391 nan 8.300 nan 0.000 0.436 427 T N 3.362 117.724 114.554 -0.320 0.000 2.908 427 T HA 0.754 5.100 4.350 -0.007 0.000 0.290 427 T C -0.665 173.734 174.700 -0.503 0.000 1.034 427 T CA -0.743 61.183 62.100 -0.290 0.000 1.010 427 T CB 1.512 70.322 68.868 -0.096 0.000 1.068 427 T HN 0.711 nan 8.240 nan 0.000 0.481 428 V N 0.019 119.790 119.914 -0.239 0.000 2.667 428 V HA 0.734 4.849 4.120 -0.007 0.000 0.308 428 V C -0.491 175.529 176.094 -0.123 0.000 1.048 428 V CA -1.043 61.216 62.300 -0.069 0.000 0.928 428 V CB 1.535 33.476 31.823 0.197 0.000 1.004 428 V HN 0.936 nan 8.190 nan 0.000 0.444 429 N N 5.630 124.253 118.700 -0.129 0.000 2.439 429 N HA 0.588 5.324 4.740 -0.007 0.000 0.249 429 N C -2.441 173.108 175.510 0.065 0.000 1.003 429 N CA -1.959 51.015 53.050 -0.127 0.000 0.942 429 N CB 1.610 40.051 38.487 -0.076 0.000 1.115 429 N HN 0.666 nan 8.380 nan 0.000 0.505 430 P HA 0.294 nan 4.420 nan 0.000 0.297 430 P C -0.254 177.045 177.300 -0.003 0.000 1.307 430 P CA -0.489 62.723 63.100 0.186 0.000 0.773 430 P CB 1.198 33.173 31.700 0.459 0.000 1.265 431 M N -0.000 119.591 119.600 -0.015 0.000 2.227 431 M HA 0.141 4.617 4.480 -0.007 0.000 0.316 431 M C 1.809 177.796 176.300 -0.522 0.000 1.144 431 M CA -0.088 55.051 55.300 -0.269 0.000 1.121 431 M CB 0.300 32.864 32.600 -0.060 0.000 1.440 431 M HN 0.465 nan 8.290 nan 0.000 0.473 432 E N 0.245 119.864 120.200 -0.968 0.000 2.401 432 E HA -0.147 4.198 4.350 -0.007 0.000 0.199 432 E C -0.254 176.242 176.600 -0.173 0.000 1.023 432 E CA 0.979 56.936 56.400 -0.739 0.000 0.859 432 E CB -0.153 29.198 29.700 -0.582 0.000 0.780 432 E HN 0.517 nan 8.360 nan 0.000 0.523 433 H N 0.614 119.714 119.070 0.049 0.000 2.872 433 H HA 0.325 4.877 4.556 -0.007 0.000 0.273 433 H C 0.747 176.088 175.328 0.022 0.000 1.205 433 H CA 0.243 56.317 56.048 0.044 0.000 1.342 433 H CB 1.308 31.078 29.762 0.014 0.000 1.469 433 H HN 0.241 nan 8.280 nan 0.000 0.487 434 A N 3.163 125.932 122.820 -0.086 0.000 1.902 434 A HA -0.215 4.101 4.320 -0.007 0.000 0.217 434 A C 2.326 179.726 177.584 -0.307 0.000 1.181 434 A CA 1.711 53.430 52.037 -0.529 0.000 0.623 434 A CB -0.033 18.338 19.000 -1.049 0.000 0.818 434 A HN 0.575 nan 8.150 nan 0.000 0.443 435 E N 0.173 120.260 120.200 -0.189 0.000 2.028 435 E HA -0.069 4.277 4.350 -0.007 0.000 0.191 435 E C 1.785 178.337 176.600 -0.079 0.000 0.988 435 E CA 1.207 57.504 56.400 -0.172 0.000 0.799 435 E CB -0.374 29.257 29.700 -0.115 0.000 0.755 435 E HN 0.546 nan 8.360 nan 0.000 0.447 436 L N 0.233 121.472 121.223 0.026 0.000 2.376 436 L HA -0.022 4.314 4.340 -0.007 0.000 0.219 436 L C 2.231 179.170 176.870 0.114 0.000 1.133 436 L CA 0.632 55.531 54.840 0.098 0.000 0.816 436 L CB -0.165 41.958 42.059 0.107 0.000 0.933 436 L HN 0.095 nan 8.230 nan 0.000 0.449 437 S N -0.079 115.683 115.700 0.103 0.000 2.419 437 S HA -0.160 4.306 4.470 -0.007 0.000 0.233 437 S C 1.880 176.592 174.600 0.188 0.000 1.016 437 S CA 1.044 59.343 58.200 0.166 0.000 0.974 437 S CB -0.073 63.270 63.200 0.239 0.000 0.786 437 S HN 0.394 nan 8.310 nan 0.000 0.492 438 K N 0.975 121.403 120.400 0.047 0.000 2.113 438 K HA -0.104 4.212 4.320 -0.007 0.000 0.208 438 K C 1.870 178.636 176.600 0.277 0.000 1.047 438 K CA 1.322 57.603 56.287 -0.010 0.000 0.928 438 K CB -0.456 31.737 32.500 -0.511 0.000 0.716 438 K HN 0.389 nan 8.250 nan 0.000 0.446 439 I N 0.363 121.078 120.570 0.241 0.000 2.118 439 I HA -0.334 3.832 4.170 -0.007 0.000 0.241 439 I C 2.664 179.020 176.117 0.398 0.000 1.070 439 I CA 1.287 62.757 61.300 0.283 0.000 1.327 439 I CB -0.417 37.729 38.000 0.242 0.000 1.034 439 I HN 0.138 nan 8.210 nan 0.000 0.405 440 S N 0.600 116.546 115.700 0.410 0.000 2.371 440 S HA -0.041 4.425 4.470 -0.007 0.000 0.224 440 S C 2.039 176.930 174.600 0.485 0.000 1.029 440 S CA 0.813 59.304 58.200 0.485 0.000 0.978 440 S CB -0.268 63.218 63.200 0.478 0.000 0.833 440 S HN 0.271 nan 8.310 nan 0.000 0.466 441 I N 1.367 122.217 120.570 0.466 0.000 2.151 441 I HA -0.251 3.915 4.170 -0.007 0.000 0.243 441 I C 2.585 178.989 176.117 0.479 0.000 1.080 441 I CA 1.785 63.375 61.300 0.482 0.000 1.339 441 I CB -0.638 37.708 38.000 0.578 0.000 1.039 441 I HN 0.462 nan 8.210 nan 0.000 0.409 442 H N 1.211 120.554 119.070 0.454 0.000 2.319 442 H HA -0.211 4.340 4.556 -0.007 0.000 0.297 442 H C 2.421 177.926 175.328 0.295 0.000 1.097 442 H CA 2.499 58.763 56.048 0.360 0.000 1.285 442 H CB -0.114 29.876 29.762 0.380 0.000 1.368 442 H HN 0.463 nan 8.280 nan 0.000 0.495 443 T N -1.685 113.202 114.554 0.555 0.000 2.904 443 T HA 0.062 4.408 4.350 -0.007 0.000 0.267 443 T C 2.236 177.172 174.700 0.393 0.000 1.059 443 T CA 1.196 63.618 62.100 0.537 0.000 1.137 443 T CB -0.569 68.663 68.868 0.606 0.000 0.879 443 T HN 0.367 nan 8.240 nan 0.000 0.467 444 A N 1.518 124.550 122.820 0.352 0.000 1.972 444 A HA 0.382 4.698 4.320 -0.007 0.000 0.219 444 A C 2.762 180.486 177.584 0.233 0.000 1.169 444 A CA 1.649 53.873 52.037 0.312 0.000 0.635 444 A CB -1.250 18.026 19.000 0.460 0.000 0.810 444 A HN 0.784 nan 8.150 nan 0.000 0.446 445 A N -0.301 122.624 122.820 0.176 0.000 1.968 445 A HA -0.112 4.204 4.320 -0.007 0.000 0.217 445 A C 1.824 179.451 177.584 0.072 0.000 1.169 445 A CA 1.967 54.047 52.037 0.071 0.000 0.638 445 A CB -0.464 18.491 19.000 -0.075 0.000 0.812 445 A HN 0.538 nan 8.150 nan 0.000 0.446 446 D N -2.131 118.342 120.400 0.122 0.000 2.137 446 D HA -0.149 4.487 4.640 -0.007 0.000 0.202 446 D C 1.726 178.126 176.300 0.166 0.000 0.970 446 D CA 1.126 55.236 54.000 0.184 0.000 0.837 446 D CB -0.285 40.702 40.800 0.310 0.000 0.981 446 D HN 0.430 nan 8.370 nan 0.000 0.475 447 Y N 1.117 121.311 120.300 -0.177 0.000 2.114 447 Y HA -0.257 4.289 4.550 -0.007 0.000 0.282 447 Y C 2.353 178.038 175.900 -0.359 0.000 1.165 447 Y CA 2.502 60.228 58.100 -0.624 0.000 1.148 447 Y CB -0.629 37.146 38.460 -1.142 0.000 0.972 447 Y HN 0.114 nan 8.280 nan 0.000 0.504 448 S N -0.901 114.596 115.700 -0.338 0.000 2.458 448 S HA -0.137 4.329 4.470 -0.007 0.000 0.223 448 S C 1.963 176.455 174.600 -0.180 0.000 1.019 448 S CA 0.396 58.360 58.200 -0.394 0.000 0.937 448 S CB -1.101 62.018 63.200 -0.135 0.000 0.788 448 S HN 0.725 nan 8.310 nan 0.000 0.511 449 W N 2.665 123.836 121.300 -0.216 0.000 2.441 449 W HA 0.268 4.924 4.660 -0.007 0.000 0.302 449 W C 0.165 176.566 176.519 -0.198 0.000 1.191 449 W CA 0.710 57.948 57.345 -0.179 0.000 1.327 449 W CB -0.192 29.175 29.460 -0.155 0.000 1.128 449 W HN 0.310 nan 8.180 nan 0.000 0.522 450 N N 1.162 119.910 118.700 0.081 0.000 2.841 450 N HA 0.073 4.809 4.740 -0.007 0.000 0.257 450 N C 0.716 176.187 175.510 -0.064 0.000 1.396 450 N CA -0.066 52.980 53.050 -0.006 0.000 0.823 450 N CB -0.008 38.553 38.487 0.122 0.000 1.162 450 N HN 0.057 nan 8.380 nan 0.000 0.503 451 M N 0.624 120.088 119.600 -0.227 0.000 2.132 451 M HA -0.108 4.368 4.480 -0.007 0.000 0.263 451 M C 0.920 177.170 176.300 -0.084 0.000 1.065 451 M CA 1.745 56.846 55.300 -0.332 0.000 1.122 451 M CB 0.153 32.441 32.600 -0.520 0.000 1.365 451 M HN 0.251 nan 8.290 nan 0.000 0.411 452 D N -0.076 120.286 120.400 -0.063 0.000 2.224 452 D HA -0.084 4.551 4.640 -0.007 0.000 0.205 452 D C 1.161 177.483 176.300 0.036 0.000 0.965 452 D CA 0.942 54.936 54.000 -0.009 0.000 0.852 452 D CB 0.119 40.903 40.800 -0.027 0.000 0.947 452 D HN 0.385 nan 8.370 nan 0.000 0.494 453 N N -0.606 118.121 118.700 0.046 0.000 2.280 453 N HA -0.079 4.657 4.740 -0.007 0.000 0.192 453 N C -0.327 175.245 175.510 0.104 0.000 1.109 453 N CA -0.127 52.956 53.050 0.056 0.000 0.855 453 N CB 0.143 38.648 38.487 0.029 0.000 0.974 453 N HN 0.268 nan 8.380 nan 0.000 0.482 454 Y N 2.792 123.118 120.300 0.043 0.000 2.729 454 Y HA -0.046 4.500 4.550 -0.007 0.000 0.331 454 Y C -0.053 175.911 175.900 0.107 0.000 1.208 454 Y CA 0.074 58.238 58.100 0.106 0.000 1.521 454 Y CB 0.188 38.766 38.460 0.197 0.000 1.233 454 Y HN -0.099 nan 8.280 nan 0.000 0.539 455 D N 6.095 126.180 120.400 -0.526 0.000 2.462 455 D HA 0.014 4.650 4.640 -0.007 0.000 0.245 455 D C 0.351 176.231 176.300 -0.699 0.000 1.122 455 D CA -0.554 53.157 54.000 -0.482 0.000 0.864 455 D CB 0.345 40.990 40.800 -0.258 0.000 1.098 455 D HN 0.654 nan 8.370 nan 0.000 0.541 456 Y N 2.700 122.631 120.300 -0.614 0.000 2.181 456 Y HA -0.119 4.427 4.550 -0.007 0.000 0.288 456 Y C 1.612 177.491 175.900 -0.035 0.000 1.146 456 Y CA 1.616 59.512 58.100 -0.341 0.000 1.164 456 Y CB -0.573 37.903 38.460 0.027 0.000 0.982 456 Y HN 0.325 nan 8.280 nan 0.000 0.515 457 D N 0.287 120.417 120.400 -0.449 0.000 2.097 457 D HA -0.166 4.469 4.640 -0.007 0.000 0.195 457 D C 1.897 178.237 176.300 0.066 0.000 0.989 457 D CA 1.827 55.752 54.000 -0.124 0.000 0.827 457 D CB -0.066 40.563 40.800 -0.285 0.000 0.966 457 D HN 0.419 nan 8.370 nan 0.000 0.456 458 K N -0.164 120.199 120.400 -0.062 0.000 2.057 458 K HA 0.005 4.321 4.320 -0.007 0.000 0.206 458 K C 2.198 178.833 176.600 0.059 0.000 1.050 458 K CA 0.974 57.258 56.287 -0.006 0.000 0.935 458 K CB -0.130 32.337 32.500 -0.056 0.000 0.715 458 K HN 0.139 nan 8.250 nan 0.000 0.439 459 A N 0.754 123.608 122.820 0.057 0.000 1.902 459 A HA -0.201 4.115 4.320 -0.007 0.000 0.217 459 A C 1.929 179.681 177.584 0.280 0.000 1.181 459 A CA 1.357 53.508 52.037 0.190 0.000 0.623 459 A CB -0.894 18.252 19.000 0.243 0.000 0.818 459 A HN 0.603 nan 8.150 nan 0.000 0.443 460 W N 1.412 122.788 121.300 0.128 0.000 2.358 460 W HA -0.152 4.504 4.660 -0.006 0.000 0.303 460 W C 2.017 178.580 176.519 0.074 0.000 1.208 460 W CA 1.795 59.224 57.345 0.140 0.000 1.274 460 W CB -0.262 29.291 29.460 0.156 0.000 1.138 460 W HN 0.365 nan 8.180 nan 0.000 0.515 461 N N 0.269 119.015 118.700 0.077 0.000 2.120 461 N HA -0.212 4.523 4.740 -0.007 0.000 0.188 461 N C 1.865 177.273 175.510 -0.169 0.000 1.024 461 N CA 1.751 54.712 53.050 -0.148 0.000 0.852 461 N CB -0.541 37.961 38.487 0.024 0.000 1.003 461 N HN 0.235 nan 8.380 nan 0.000 0.424 462 R N 1.011 121.474 120.500 -0.061 0.000 2.083 462 R HA -0.090 4.246 4.340 -0.007 0.000 0.237 462 R C 2.304 178.477 176.300 -0.212 0.000 1.137 462 R CA 1.513 57.583 56.100 -0.050 0.000 0.951 462 R CB -0.282 30.062 30.300 0.074 0.000 0.851 462 R HN 0.171 nan 8.270 nan 0.000 0.434 463 A N 0.905 123.526 122.820 -0.332 0.000 1.884 463 A HA -0.228 4.088 4.320 -0.007 0.000 0.219 463 A C 2.169 179.510 177.584 -0.405 0.000 1.197 463 A CA 1.936 53.532 52.037 -0.735 0.000 0.637 463 A CB -0.711 18.131 19.000 -0.264 0.000 0.827 463 A HN 0.376 nan 8.150 nan 0.000 0.450 464 I N -0.635 119.739 120.570 -0.326 0.000 2.286 464 I HA -0.191 3.975 4.170 -0.007 0.000 0.245 464 I C 1.969 178.046 176.117 -0.067 0.000 1.104 464 I CA 1.256 62.450 61.300 -0.177 0.000 1.397 464 I CB -0.564 37.164 38.000 -0.453 0.000 1.072 464 I HN 0.267 nan 8.210 nan 0.000 0.417 465 D N 1.003 121.320 120.400 -0.138 0.000 2.106 465 D HA -0.214 4.421 4.640 -0.007 0.000 0.191 465 D C 2.261 178.535 176.300 -0.043 0.000 0.997 465 D CA 1.685 55.642 54.000 -0.071 0.000 0.834 465 D CB -0.196 40.562 40.800 -0.071 0.000 0.956 465 D HN 0.328 nan 8.370 nan 0.000 0.448 466 M N -0.351 119.206 119.600 -0.071 0.000 2.394 466 M HA -0.023 4.453 4.480 -0.007 0.000 0.264 466 M C 2.070 178.352 176.300 -0.030 0.000 1.073 466 M CA 0.623 55.907 55.300 -0.026 0.000 1.111 466 M CB 0.143 32.764 32.600 0.036 0.000 1.401 466 M HN -0.027 nan 8.290 nan 0.000 0.448 467 L N -2.239 118.943 121.223 -0.069 0.000 2.298 467 L HA -0.045 4.291 4.340 -0.007 0.000 0.209 467 L C 1.408 178.051 176.870 -0.378 0.000 1.084 467 L CA 0.828 55.554 54.840 -0.190 0.000 0.816 467 L CB 0.013 41.948 42.059 -0.206 0.000 0.967 467 L HN 0.206 nan 8.230 nan 0.000 0.460 468 Y N -1.065 119.190 120.300 -0.075 0.000 2.444 468 Y HA 0.323 4.869 4.550 -0.007 0.000 0.252 468 Y C 1.761 177.627 175.900 -0.056 0.000 1.091 468 Y CA 0.296 58.356 58.100 -0.067 0.000 1.276 468 Y CB 0.488 38.901 38.460 -0.077 0.000 1.170 468 Y HN 0.154 nan 8.280 nan 0.000 0.517 469 G N 1.059 109.887 108.800 0.046 0.000 2.596 469 G HA2 -0.447 3.509 3.960 -0.007 0.000 0.304 469 G HA3 -0.447 3.509 3.960 -0.007 0.000 0.304 469 G C 0.835 175.747 174.900 0.020 0.000 1.189 469 G CA 0.865 45.973 45.100 0.013 0.000 0.986 469 G HN 0.266 nan 8.290 nan 0.000 0.548 470 D N 0.519 120.926 120.400 0.012 0.000 2.190 470 D HA -0.029 4.607 4.640 -0.007 0.000 0.200 470 D C 2.429 178.739 176.300 0.017 0.000 0.992 470 D CA 1.231 55.235 54.000 0.008 0.000 0.854 470 D CB -0.147 40.653 40.800 0.001 0.000 0.936 470 D HN 0.347 nan 8.370 nan 0.000 0.462 471 L N -0.115 121.134 121.223 0.044 0.000 2.592 471 L HA 0.194 4.530 4.340 -0.007 0.000 0.227 471 L C 2.130 179.011 176.870 0.019 0.000 1.127 471 L CA -0.118 54.747 54.840 0.041 0.000 0.884 471 L CB 0.042 42.150 42.059 0.081 0.000 1.065 471 L HN -0.067 nan 8.230 nan 0.000 0.457 472 A N 0.172 123.009 122.820 0.028 0.000 1.902 472 A HA -0.180 4.136 4.320 -0.007 0.000 0.217 472 A C 2.187 179.730 177.584 -0.069 0.000 1.181 472 A CA 1.391 53.419 52.037 -0.016 0.000 0.623 472 A CB -0.152 18.841 19.000 -0.011 0.000 0.818 472 A HN 0.301 nan 8.150 nan 0.000 0.443 473 E N 0.548 120.726 120.200 -0.037 0.000 2.072 473 E HA -0.155 4.191 4.350 -0.007 0.000 0.191 473 E C 1.552 178.145 176.600 -0.013 0.000 0.985 473 E CA 1.303 57.688 56.400 -0.026 0.000 0.801 473 E CB -0.485 29.208 29.700 -0.011 0.000 0.750 473 E HN 0.590 nan 8.360 nan 0.000 0.452 474 D N 0.368 120.759 120.400 -0.016 0.000 2.117 474 D HA -0.152 4.484 4.640 -0.007 0.000 0.197 474 D C 1.956 178.252 176.300 -0.008 0.000 0.987 474 D CA 0.881 54.877 54.000 -0.007 0.000 0.829 474 D CB -0.225 40.561 40.800 -0.022 0.000 0.961 474 D HN 0.096 nan 8.370 nan 0.000 0.460 475 M N 1.001 120.550 119.600 -0.086 0.000 2.159 475 M HA -0.112 4.364 4.480 -0.007 0.000 0.263 475 M C 1.728 177.998 176.300 -0.051 0.000 1.063 475 M CA 1.499 56.708 55.300 -0.151 0.000 1.110 475 M CB -0.005 32.278 32.600 -0.529 0.000 1.374 475 M HN -0.201 nan 8.290 nan 0.000 0.411 476 K N -1.031 119.317 120.400 -0.087 0.000 2.097 476 K HA -0.126 4.190 4.320 -0.007 0.000 0.206 476 K C 1.785 178.516 176.600 0.217 0.000 1.049 476 K CA 1.605 57.880 56.287 -0.020 0.000 0.933 476 K CB -0.447 32.002 32.500 -0.086 0.000 0.717 476 K HN 0.242 nan 8.250 nan 0.000 0.442 477 V N 1.116 121.134 119.914 0.173 0.000 2.287 477 V HA -0.270 3.846 4.120 -0.007 0.000 0.248 477 V C 1.978 178.263 176.094 0.318 0.000 1.053 477 V CA 1.957 64.392 62.300 0.225 0.000 1.027 477 V CB -0.510 31.407 31.823 0.157 0.000 0.646 477 V HN 0.258 nan 8.190 nan 0.000 0.447 478 F N 1.488 121.505 119.950 0.110 0.000 2.074 478 F HA 0.015 4.538 4.527 -0.007 0.000 0.293 478 F C 2.322 178.219 175.800 0.162 0.000 1.116 478 F CA 1.460 59.516 58.000 0.094 0.000 1.212 478 F CB -0.744 38.257 39.000 0.002 0.000 0.998 478 F HN 0.039 nan 8.300 nan 0.000 0.471 479 A N 0.456 123.270 122.820 -0.010 0.000 1.978 479 A HA -0.279 4.037 4.320 -0.007 0.000 0.220 479 A C 1.993 179.668 177.584 0.152 0.000 1.170 479 A CA 1.930 53.951 52.037 -0.027 0.000 0.636 479 A CB -1.356 17.777 19.000 0.223 0.000 0.810 479 A HN 0.594 nan 8.150 nan 0.000 0.448 480 N N -0.310 118.573 118.700 0.306 0.000 2.192 480 N HA -0.194 4.542 4.740 -0.007 0.000 0.188 480 N C 1.377 176.785 175.510 -0.170 0.000 1.013 480 N CA 1.629 54.712 53.050 0.055 0.000 0.863 480 N CB -0.467 38.103 38.487 0.139 0.000 0.990 480 N HN 0.674 nan 8.380 nan 0.000 0.430 481 H N -1.931 117.070 119.070 -0.116 0.000 2.539 481 H HA 0.202 4.754 4.556 -0.007 0.000 0.267 481 H C 0.160 175.384 175.328 -0.174 0.000 0.982 481 H CA 0.321 56.290 56.048 -0.131 0.000 1.146 481 H CB 0.353 30.054 29.762 -0.101 0.000 1.382 481 H HN 0.059 nan 8.280 nan 0.000 0.577 482 S N 0.218 115.840 115.700 -0.130 0.000 2.569 482 S HA 0.081 4.547 4.470 -0.007 0.000 0.215 482 S C 1.109 175.669 174.600 -0.066 0.000 1.096 482 S CA -0.193 57.922 58.200 -0.143 0.000 1.183 482 S CB -0.069 62.940 63.200 -0.318 0.000 1.324 482 S HN 0.541 nan 8.310 nan 0.000 0.421 483 T N -1.343 113.174 114.554 -0.061 0.000 2.987 483 T HA 0.344 4.690 4.350 -0.007 0.000 0.248 483 T C 0.637 175.382 174.700 0.075 0.000 0.997 483 T CA -0.181 61.921 62.100 0.003 0.000 1.013 483 T CB 0.031 68.793 68.868 -0.177 0.000 1.077 483 T HN 0.240 nan 8.240 nan 0.000 0.483 484 R N 1.904 122.399 120.500 -0.010 0.000 2.202 484 R HA 0.494 4.829 4.340 -0.007 0.000 0.334 484 R C -0.579 175.748 176.300 0.045 0.000 1.036 484 R CA -0.566 55.532 56.100 -0.003 0.000 0.878 484 R CB 0.094 30.350 30.300 -0.072 0.000 1.067 484 R HN 0.178 nan 8.270 nan 0.000 0.457 485 M N 2.950 122.613 119.600 0.105 0.000 2.209 485 M HA 0.287 4.763 4.480 -0.007 0.000 0.355 485 M C -0.950 175.327 176.300 -0.037 0.000 1.171 485 M CA -0.394 54.954 55.300 0.080 0.000 1.069 485 M CB 1.412 34.125 32.600 0.189 0.000 1.622 485 M HN 0.578 nan 8.290 nan 0.000 0.459 486 D N 2.482 122.778 120.400 -0.173 0.000 2.548 486 D HA 0.117 4.753 4.640 -0.007 0.000 0.214 486 D C -0.198 175.710 176.300 -0.653 0.000 1.345 486 D CA -0.234 53.579 54.000 -0.312 0.000 0.945 486 D CB 0.869 41.539 40.800 -0.216 0.000 1.499 486 D HN 0.602 nan 8.370 nan 0.000 0.579 487 N N 3.213 121.515 118.700 -0.663 0.000 2.314 487 N HA 0.032 4.768 4.740 -0.007 0.000 0.200 487 N C 0.361 175.575 175.510 -0.492 0.000 1.135 487 N CA 0.003 52.548 53.050 -0.841 0.000 0.835 487 N CB 0.104 38.258 38.487 -0.555 0.000 0.989 487 N HN 0.618 nan 8.380 nan 0.000 0.478 488 K N -2.140 118.035 120.400 -0.375 0.000 3.553 488 K HA -0.215 4.101 4.320 -0.007 0.000 0.303 488 K C 0.334 176.845 176.600 -0.149 0.000 1.327 488 K CA 1.588 57.747 56.287 -0.212 0.000 0.983 488 K CB -1.718 30.689 32.500 -0.155 0.000 1.275 488 K HN 0.668 nan 8.250 nan 0.000 0.453 489 T N -3.369 111.070 114.554 -0.191 0.000 2.639 489 T HA 0.126 4.472 4.350 -0.007 0.000 0.156 489 T C 1.114 175.765 174.700 -0.082 0.000 0.817 489 T CA -0.098 61.953 62.100 -0.082 0.000 0.914 489 T CB -0.514 68.372 68.868 0.029 0.000 2.461 489 T HN 0.330 nan 8.240 nan 0.000 0.367 490 W N 2.757 123.990 121.300 -0.111 0.000 2.770 490 W HA 0.646 5.302 4.660 -0.007 0.000 0.256 490 W C 0.211 176.622 176.519 -0.180 0.000 1.291 490 W CA 0.054 57.321 57.345 -0.130 0.000 1.396 490 W CB -0.460 28.923 29.460 -0.128 0.000 1.114 490 W HN 0.562 nan 8.180 nan 0.000 0.637 491 A N 2.400 124.690 122.820 -0.884 0.000 2.267 491 A HA 0.600 4.916 4.320 -0.007 0.000 0.315 491 A C -0.539 176.737 177.584 -0.513 0.000 1.297 491 A CA -0.644 50.807 52.037 -0.976 0.000 0.865 491 A CB 0.409 18.201 19.000 -2.013 0.000 1.165 491 A HN 0.182 nan 8.150 nan 0.000 0.513 492 K N 1.379 121.603 120.400 -0.293 0.000 2.535 492 K HA 0.683 4.999 4.320 -0.007 0.000 0.250 492 K C -1.143 175.401 176.600 -0.094 0.000 0.948 492 K CA -0.430 55.759 56.287 -0.164 0.000 0.796 492 K CB 2.239 34.668 32.500 -0.119 0.000 1.216 492 K HN 0.535 nan 8.250 nan 0.000 0.432 493 S N 0.945 116.624 115.700 -0.035 0.000 2.552 493 S HA 0.831 5.297 4.470 -0.007 0.000 0.272 493 S C -1.402 173.204 174.600 0.010 0.000 1.150 493 S CA 0.261 58.459 58.200 -0.002 0.000 0.849 493 S CB 1.750 64.922 63.200 -0.047 0.000 1.113 493 S HN 1.048 nan 8.310 nan 0.000 0.458 494 G N 2.551 111.288 108.800 -0.106 0.000 2.459 494 G HA2 0.063 4.019 3.960 -0.007 0.000 0.685 494 G HA3 0.063 4.019 3.960 -0.007 0.000 0.685 494 G C -1.021 173.623 174.900 -0.428 0.000 1.303 494 G CA -0.837 44.075 45.100 -0.313 0.000 0.907 494 G HN 0.786 nan 8.290 nan 0.000 0.632 495 R N 0.634 120.689 120.500 -0.742 0.000 2.585 495 R HA 0.113 4.449 4.340 -0.007 0.000 0.275 495 R C 0.521 176.534 176.300 -0.479 0.000 1.018 495 R CA -0.141 55.371 56.100 -0.980 0.000 1.072 495 R CB 0.223 30.043 30.300 -0.800 0.000 0.953 495 R HN 0.539 nan 8.270 nan 0.000 0.419 496 E N 2.658 122.627 120.200 -0.384 0.000 2.534 496 E HA -0.102 4.243 4.350 -0.007 0.000 0.264 496 E C -0.422 176.037 176.600 -0.235 0.000 0.981 496 E CA 0.530 56.794 56.400 -0.227 0.000 0.948 496 E CB 0.270 29.874 29.700 -0.159 0.000 0.934 496 E HN 0.441 nan 8.360 nan 0.000 0.459 497 D N 0.914 121.203 120.400 -0.185 0.000 2.472 497 D HA 0.081 4.717 4.640 -0.007 0.000 0.237 497 D C 0.340 176.486 176.300 -0.256 0.000 1.141 497 D CA 0.559 54.430 54.000 -0.214 0.000 0.875 497 D CB 0.344 41.059 40.800 -0.143 0.000 1.192 497 D HN 0.505 nan 8.370 nan 0.000 0.450 498 A N 3.688 126.290 122.820 -0.363 0.000 2.151 498 A HA -0.168 4.148 4.320 -0.007 0.000 0.271 498 A C -1.269 176.181 177.584 -0.224 0.000 1.348 498 A CA -0.059 51.750 52.037 -0.380 0.000 0.763 498 A CB -1.002 17.573 19.000 -0.709 0.000 1.117 498 A HN 0.432 nan 8.150 nan 0.000 0.342 499 P HA -0.115 nan 4.420 nan 0.000 0.215 499 P C 1.161 178.412 177.300 -0.082 0.000 1.153 499 P CA 1.647 64.682 63.100 -0.109 0.000 0.853 499 P CB 0.113 31.760 31.700 -0.089 0.000 0.788 500 E N -0.730 119.418 120.200 -0.086 0.000 2.106 500 E HA -0.129 4.217 4.350 -0.007 0.000 0.192 500 E C 1.871 178.422 176.600 -0.081 0.000 0.984 500 E CA 0.631 56.989 56.400 -0.069 0.000 0.806 500 E CB -1.124 28.541 29.700 -0.058 0.000 0.750 500 E HN 0.112 nan 8.360 nan 0.000 0.458 501 L N 0.729 121.894 121.223 -0.097 0.000 2.056 501 L HA -0.067 4.269 4.340 -0.007 0.000 0.207 501 L C 2.179 178.998 176.870 -0.085 0.000 1.078 501 L CA 1.610 56.390 54.840 -0.099 0.000 0.749 501 L CB -0.311 41.706 42.059 -0.070 0.000 0.901 501 L HN -0.069 nan 8.230 nan 0.000 0.433 502 R N 0.491 120.955 120.500 -0.061 0.000 2.091 502 R HA -0.099 4.237 4.340 -0.007 0.000 0.238 502 R C 2.115 178.412 176.300 -0.004 0.000 1.136 502 R CA 1.822 57.915 56.100 -0.012 0.000 0.959 502 R CB -1.218 29.076 30.300 -0.011 0.000 0.856 502 R HN 0.518 nan 8.270 nan 0.000 0.437 503 A N 0.303 123.108 122.820 -0.026 0.000 1.930 503 A HA -0.131 4.185 4.320 -0.007 0.000 0.217 503 A C 2.138 179.699 177.584 -0.038 0.000 1.175 503 A CA 1.669 53.696 52.037 -0.017 0.000 0.627 503 A CB -0.356 18.631 19.000 -0.022 0.000 0.815 503 A HN 0.369 nan 8.150 nan 0.000 0.443 504 K N -0.949 119.403 120.400 -0.079 0.000 2.097 504 K HA -0.034 4.282 4.320 -0.007 0.000 0.205 504 K C 2.065 178.565 176.600 -0.168 0.000 1.050 504 K CA 1.640 57.851 56.287 -0.127 0.000 0.938 504 K CB -0.248 32.151 32.500 -0.168 0.000 0.718 504 K HN 0.514 nan 8.250 nan 0.000 0.442 505 M N 0.731 120.238 119.600 -0.154 0.000 2.086 505 M HA -0.194 4.282 4.480 -0.007 0.000 0.261 505 M C 1.400 177.621 176.300 -0.131 0.000 1.067 505 M CA 1.452 56.651 55.300 -0.168 0.000 1.116 505 M CB -0.252 32.362 32.600 0.023 0.000 1.348 505 M HN 0.055 nan 8.290 nan 0.000 0.407 506 D N 0.246 120.679 120.400 0.055 0.000 2.123 506 D HA -0.180 4.456 4.640 -0.007 0.000 0.196 506 D C 1.983 178.333 176.300 0.082 0.000 0.992 506 D CA 1.124 55.215 54.000 0.152 0.000 0.833 506 D CB -0.424 40.452 40.800 0.126 0.000 0.954 506 D HN 0.279 nan 8.370 nan 0.000 0.455 507 E N 0.348 120.544 120.200 -0.005 0.000 2.110 507 E HA -0.131 4.215 4.350 -0.007 0.000 0.193 507 E C 2.163 178.727 176.600 -0.060 0.000 0.988 507 E CA 0.211 56.599 56.400 -0.020 0.000 0.804 507 E CB -0.218 29.454 29.700 -0.047 0.000 0.745 507 E HN 0.238 nan 8.360 nan 0.000 0.458 508 L N -0.432 120.679 121.223 -0.187 0.000 2.027 508 L HA -0.112 4.224 4.340 -0.007 0.000 0.206 508 L C 2.114 178.851 176.870 -0.221 0.000 1.074 508 L CA 1.743 56.400 54.840 -0.304 0.000 0.745 508 L CB -0.775 40.959 42.059 -0.541 0.000 0.898 508 L HN 0.149 nan 8.230 nan 0.000 0.433 509 W N 0.368 121.691 121.300 0.038 0.000 2.358 509 W HA -0.211 4.446 4.660 -0.005 0.000 0.303 509 W C 2.364 178.976 176.519 0.156 0.000 1.208 509 W CA 0.808 58.197 57.345 0.074 0.000 1.274 509 W CB -0.732 28.840 29.460 0.187 0.000 1.138 509 W HN 0.473 nan 8.180 nan 0.000 0.515 510 N N 0.752 119.632 118.700 0.300 0.000 2.300 510 N HA -0.105 4.631 4.740 -0.007 0.000 0.179 510 N C 1.253 176.856 175.510 0.156 0.000 1.016 510 N CA 1.198 54.379 53.050 0.219 0.000 0.876 510 N CB -0.877 37.705 38.487 0.158 0.000 0.979 510 N HN 0.069 nan 8.380 nan 0.000 0.432 511 K N 0.314 120.775 120.400 0.102 0.000 2.063 511 K HA -0.004 4.312 4.320 -0.007 0.000 0.208 511 K C 1.865 178.526 176.600 0.102 0.000 1.048 511 K CA 1.144 57.473 56.287 0.069 0.000 0.928 511 K CB -0.261 32.248 32.500 0.015 0.000 0.713 511 K HN 0.244 nan 8.250 nan 0.000 0.442 512 L N 0.670 121.973 121.223 0.133 0.000 2.109 512 L HA -0.128 4.208 4.340 -0.007 0.000 0.207 512 L C 2.362 179.434 176.870 0.336 0.000 1.086 512 L CA 1.195 56.144 54.840 0.181 0.000 0.760 512 L CB -0.341 41.760 42.059 0.069 0.000 0.910 512 L HN 0.223 nan 8.230 nan 0.000 0.437 513 S N -2.390 113.567 115.700 0.430 0.000 2.562 513 S HA -0.003 4.463 4.470 -0.007 0.000 0.221 513 S C 1.565 176.267 174.600 0.171 0.000 0.975 513 S CA 0.421 58.824 58.200 0.338 0.000 0.918 513 S CB 0.052 63.430 63.200 0.297 0.000 0.772 513 S HN 0.235 nan 8.310 nan 0.000 0.531 514 S N 1.520 117.310 115.700 0.150 0.000 2.577 514 S HA 0.307 4.773 4.470 -0.007 0.000 0.219 514 S C 0.249 174.898 174.600 0.081 0.000 0.962 514 S CA -0.476 57.781 58.200 0.095 0.000 0.921 514 S CB -0.226 63.022 63.200 0.080 0.000 0.789 514 S HN 0.529 nan 8.310 nan 0.000 0.497 515 K N 0.988 121.448 120.400 0.100 0.000 3.088 515 K HA -0.197 4.119 4.320 -0.007 0.000 0.273 515 K C -0.559 176.077 176.600 0.061 0.000 1.111 515 K CA 0.746 57.082 56.287 0.081 0.000 0.803 515 K CB -1.369 31.168 32.500 0.062 0.000 1.226 515 K HN 0.575 nan 8.250 nan 0.000 0.485 516 E N 0.656 120.892 120.200 0.059 0.000 2.280 516 E HA 0.122 4.468 4.350 -0.007 0.000 0.264 516 E C -0.216 176.403 176.600 0.031 0.000 1.064 516 E CA -0.860 55.564 56.400 0.040 0.000 0.900 516 E CB 0.643 30.364 29.700 0.035 0.000 1.123 516 E HN 0.028 nan 8.360 nan 0.000 0.418 517 D N 0.363 120.775 120.400 0.021 0.000 2.363 517 D HA 0.109 4.745 4.640 -0.007 0.000 0.263 517 D C -0.405 175.896 176.300 0.002 0.000 1.258 517 D CA 0.160 54.169 54.000 0.014 0.000 0.907 517 D CB 0.735 41.541 40.800 0.011 0.000 1.107 517 D HN 0.462 nan 8.370 nan 0.000 0.495 518 A N 2.974 125.791 122.820 -0.005 0.000 2.465 518 A HA 0.098 4.414 4.320 -0.007 0.000 0.255 518 A C 1.894 179.459 177.584 -0.032 0.000 1.274 518 A CA 0.379 52.398 52.037 -0.031 0.000 0.920 518 A CB -0.256 18.710 19.000 -0.056 0.000 1.033 518 A HN 0.525 nan 8.150 nan 0.000 0.516 519 S N 0.429 116.124 115.700 -0.008 0.000 2.382 519 S HA -0.088 4.378 4.470 -0.007 0.000 0.228 519 S C 2.016 176.617 174.600 0.002 0.000 1.027 519 S CA 1.388 59.592 58.200 0.007 0.000 0.991 519 S CB -0.493 62.718 63.200 0.018 0.000 0.823 519 S HN 0.880 nan 8.310 nan 0.000 0.469 520 A N 1.396 124.209 122.820 -0.012 0.000 1.930 520 A HA 0.142 4.458 4.320 -0.007 0.000 0.217 520 A C 2.226 179.784 177.584 -0.043 0.000 1.175 520 A CA 1.442 53.468 52.037 -0.020 0.000 0.627 520 A CB -0.782 18.205 19.000 -0.021 0.000 0.815 520 A HN 0.528 nan 8.150 nan 0.000 0.443 521 L N -0.071 121.115 121.223 -0.063 0.000 2.072 521 L HA -0.006 4.330 4.340 -0.007 0.000 0.205 521 L C 2.206 178.993 176.870 -0.139 0.000 1.079 521 L CA 1.459 56.234 54.840 -0.107 0.000 0.752 521 L CB -0.585 41.402 42.059 -0.120 0.000 0.906 521 L HN 0.421 nan 8.230 nan 0.000 0.436 522 I N -0.327 120.177 120.570 -0.111 0.000 2.151 522 I HA -0.335 3.830 4.170 -0.007 0.000 0.243 522 I C 2.503 178.588 176.117 -0.054 0.000 1.080 522 I CA 1.682 62.908 61.300 -0.123 0.000 1.339 522 I CB -0.241 37.735 38.000 -0.040 0.000 1.039 522 I HN 0.343 nan 8.210 nan 0.000 0.409 523 E N 1.140 121.377 120.200 0.062 0.000 2.077 523 E HA -0.292 4.054 4.350 -0.007 0.000 0.193 523 E C 2.004 178.628 176.600 0.040 0.000 0.989 523 E CA 1.738 58.224 56.400 0.144 0.000 0.800 523 E CB -0.172 29.571 29.700 0.071 0.000 0.746 523 E HN 0.447 nan 8.360 nan 0.000 0.452 524 E N -0.236 119.928 120.200 -0.060 0.000 2.085 524 E HA -0.193 4.153 4.350 -0.007 0.000 0.194 524 E C 2.119 178.577 176.600 -0.235 0.000 0.994 524 E CA 1.302 57.630 56.400 -0.120 0.000 0.801 524 E CB -0.176 29.445 29.700 -0.130 0.000 0.743 524 E HN 0.350 nan 8.360 nan 0.000 0.453 525 L N -0.205 120.805 121.223 -0.355 0.000 2.093 525 L HA -0.171 4.165 4.340 -0.007 0.000 0.208 525 L C 2.292 178.661 176.870 -0.835 0.000 1.085 525 L CA 1.020 55.424 54.840 -0.726 0.000 0.755 525 L CB -0.492 41.124 42.059 -0.738 0.000 0.904 525 L HN 0.265 nan 8.230 nan 0.000 0.435 526 Y N 0.182 120.286 120.300 -0.326 0.000 2.151 526 Y HA -0.273 4.273 4.550 -0.007 0.000 0.284 526 Y C 2.577 178.391 175.900 -0.143 0.000 1.166 526 Y CA 1.227 59.250 58.100 -0.128 0.000 1.163 526 Y CB -0.615 37.827 38.460 -0.031 0.000 0.974 526 Y HN 0.194 nan 8.280 nan 0.000 0.511 527 G N -0.509 108.279 108.800 -0.020 0.000 2.402 527 G HA2 -0.193 3.763 3.960 -0.007 0.000 0.216 527 G HA3 -0.193 3.763 3.960 -0.007 0.000 0.216 527 G C 1.480 176.330 174.900 -0.082 0.000 1.162 527 G CA 0.861 45.940 45.100 -0.035 0.000 0.777 527 G HN 0.309 nan 8.290 nan 0.000 0.539 528 E N 0.195 120.257 120.200 -0.230 0.000 2.072 528 E HA -0.072 4.274 4.350 -0.007 0.000 0.191 528 E C 2.260 178.818 176.600 -0.069 0.000 0.985 528 E CA 0.716 56.984 56.400 -0.220 0.000 0.801 528 E CB -0.250 29.213 29.700 -0.395 0.000 0.750 528 E HN 0.467 nan 8.360 nan 0.000 0.452 529 F N 0.981 120.917 119.950 -0.025 0.000 2.163 529 F HA 0.018 4.540 4.527 -0.007 0.000 0.297 529 F C 2.516 178.323 175.800 0.012 0.000 1.094 529 F CA 0.557 58.545 58.000 -0.020 0.000 1.290 529 F CB -1.314 37.673 39.000 -0.022 0.000 1.017 529 F HN -0.046 nan 8.300 nan 0.000 0.483 530 A N 0.164 123.106 122.820 0.203 0.000 1.908 530 A HA -0.237 4.079 4.320 -0.007 0.000 0.218 530 A C 2.306 179.937 177.584 0.079 0.000 1.181 530 A CA 2.003 54.114 52.037 0.124 0.000 0.627 530 A CB -0.677 18.379 19.000 0.093 0.000 0.818 530 A HN 0.228 nan 8.150 nan 0.000 0.445 531 R N -0.356 120.182 120.500 0.063 0.000 2.075 531 R HA 0.003 4.339 4.340 -0.007 0.000 0.232 531 R C 2.020 178.354 176.300 0.057 0.000 1.126 531 R CA 2.080 58.207 56.100 0.045 0.000 0.963 531 R CB -0.745 29.572 30.300 0.029 0.000 0.858 531 R HN 0.566 nan 8.270 nan 0.000 0.435 532 M N 0.062 119.707 119.600 0.076 0.000 2.082 532 M HA -0.210 4.266 4.480 -0.007 0.000 0.258 532 M C 2.252 178.574 176.300 0.037 0.000 1.069 532 M CA 2.417 57.750 55.300 0.055 0.000 1.102 532 M CB -0.401 32.213 32.600 0.023 0.000 1.336 532 M HN 0.294 nan 8.290 nan 0.000 0.404 533 E N 0.317 120.542 120.200 0.042 0.000 2.106 533 E HA -0.247 4.099 4.350 -0.007 0.000 0.192 533 E C 1.941 178.548 176.600 0.012 0.000 0.984 533 E CA 1.367 57.781 56.400 0.024 0.000 0.806 533 E CB -0.045 29.675 29.700 0.033 0.000 0.750 533 E HN 0.568 nan 8.360 nan 0.000 0.458 534 E N 0.283 120.494 120.200 0.019 0.000 2.107 534 E HA -0.166 4.180 4.350 -0.007 0.000 0.191 534 E C 1.964 178.563 176.600 -0.002 0.000 0.982 534 E CA 0.900 57.305 56.400 0.007 0.000 0.809 534 E CB -0.151 29.556 29.700 0.012 0.000 0.756 534 E HN 0.285 nan 8.360 nan 0.000 0.459 535 A N 1.221 124.047 122.820 0.010 0.000 1.883 535 A HA -0.212 4.104 4.320 -0.007 0.000 0.217 535 A C 2.567 180.132 177.584 -0.032 0.000 1.186 535 A CA 1.599 53.639 52.037 0.004 0.000 0.624 535 A CB -1.173 17.853 19.000 0.043 0.000 0.822 535 A HN 0.544 nan 8.150 nan 0.000 0.444 536 C N -0.300 118.980 119.300 -0.032 0.000 2.413 536 C HA -0.107 4.349 4.460 -0.007 0.000 0.276 536 C C 2.707 177.633 174.990 -0.107 0.000 1.248 536 C CA 1.191 60.150 59.018 -0.098 0.000 1.742 536 C CB -1.501 26.205 27.740 -0.057 0.000 2.017 536 C HN 0.639 nan 8.230 nan 0.000 0.481 537 N N 1.497 120.159 118.700 -0.062 0.000 2.142 537 N HA -0.088 4.648 4.740 -0.007 0.000 0.186 537 N C 1.384 176.860 175.510 -0.056 0.000 1.023 537 N CA 1.147 54.164 53.050 -0.055 0.000 0.852 537 N CB -0.633 37.834 38.487 -0.033 0.000 0.998 537 N HN 0.577 nan 8.380 nan 0.000 0.424 538 N N 1.279 119.950 118.700 -0.049 0.000 2.120 538 N HA -0.067 4.669 4.740 -0.007 0.000 0.188 538 N C 1.994 177.467 175.510 -0.062 0.000 1.024 538 N CA 0.532 53.555 53.050 -0.045 0.000 0.852 538 N CB -0.549 37.918 38.487 -0.032 0.000 1.003 538 N HN 0.266 nan 8.380 nan 0.000 0.424 539 L N 1.126 122.293 121.223 -0.094 0.000 2.017 539 L HA -0.155 4.181 4.340 -0.007 0.000 0.208 539 L C 2.238 179.032 176.870 -0.128 0.000 1.073 539 L CA 1.321 56.082 54.840 -0.132 0.000 0.745 539 L CB -0.341 41.580 42.059 -0.230 0.000 0.894 539 L HN 0.125 nan 8.230 nan 0.000 0.432 540 K N -0.026 120.294 120.400 -0.133 0.000 2.063 540 K HA -0.170 4.146 4.320 -0.007 0.000 0.208 540 K C 2.181 178.738 176.600 -0.072 0.000 1.048 540 K CA 1.519 57.742 56.287 -0.108 0.000 0.928 540 K CB -0.294 32.149 32.500 -0.096 0.000 0.713 540 K HN 0.315 nan 8.250 nan 0.000 0.442 541 A N 1.178 123.962 122.820 -0.060 0.000 1.970 541 A HA -0.067 4.248 4.320 -0.007 0.000 0.216 541 A C 1.538 179.100 177.584 -0.038 0.000 1.170 541 A CA 1.290 53.301 52.037 -0.043 0.000 0.645 541 A CB -0.030 18.949 19.000 -0.036 0.000 0.816 541 A HN 0.203 nan 8.150 nan 0.000 0.447 542 N N -1.071 117.605 118.700 -0.039 0.000 2.210 542 N HA 0.231 4.967 4.740 -0.007 0.000 0.203 542 N C -0.075 175.424 175.510 -0.018 0.000 1.175 542 N CA -0.091 52.943 53.050 -0.026 0.000 0.894 542 N CB 0.263 38.737 38.487 -0.020 0.000 1.041 542 N HN 0.330 nan 8.380 nan 0.000 0.506 543 L N 2.596 123.804 121.223 -0.025 0.000 2.456 543 L HA 0.168 4.503 4.340 -0.007 0.000 0.272 543 L C -1.789 175.076 176.870 -0.009 0.000 1.189 543 L CA -1.238 53.601 54.840 -0.001 0.000 0.846 543 L CB 0.016 42.064 42.059 -0.018 0.000 1.111 543 L HN -0.149 nan 8.230 nan 0.000 0.475 544 P HA -0.061 nan 4.420 nan 0.000 0.267 544 P C 0.371 177.657 177.300 -0.024 0.000 1.200 544 P CA -0.036 63.050 63.100 -0.023 0.000 0.772 544 P CB 0.509 32.185 31.700 -0.040 0.000 0.855 545 E N 2.126 122.308 120.200 -0.029 0.000 2.110 545 E HA -0.175 4.171 4.350 -0.007 0.000 0.193 545 E C 1.563 178.147 176.600 -0.026 0.000 0.988 545 E CA 1.051 57.434 56.400 -0.027 0.000 0.804 545 E CB -0.132 29.553 29.700 -0.025 0.000 0.745 545 E HN 0.170 nan 8.360 nan 0.000 0.458 546 V N 0.624 120.518 119.914 -0.033 0.000 2.469 546 V HA -0.244 3.872 4.120 -0.007 0.000 0.251 546 V C 2.145 178.220 176.094 -0.031 0.000 1.064 546 V CA 2.216 64.493 62.300 -0.038 0.000 1.066 546 V CB -0.330 31.455 31.823 -0.062 0.000 0.667 546 V HN 0.481 nan 8.190 nan 0.000 0.461 547 A N -0.942 121.866 122.820 -0.019 0.000 1.943 547 A HA 0.049 4.365 4.320 -0.007 0.000 0.213 547 A C 1.970 179.549 177.584 -0.009 0.000 1.181 547 A CA 1.236 53.281 52.037 0.012 0.000 0.653 547 A CB -0.473 18.582 19.000 0.091 0.000 0.833 547 A HN 0.516 nan 8.150 nan 0.000 0.451 548 L N 1.211 122.418 121.223 -0.025 0.000 2.093 548 L HA -0.142 4.194 4.340 -0.007 0.000 0.208 548 L C 2.370 179.209 176.870 -0.051 0.000 1.085 548 L CA 2.611 57.419 54.840 -0.054 0.000 0.755 548 L CB -0.613 41.413 42.059 -0.055 0.000 0.904 548 L HN 0.657 nan 8.230 nan 0.000 0.435 549 E N -1.027 119.154 120.200 -0.032 0.000 2.333 549 E HA -0.247 4.099 4.350 -0.007 0.000 0.198 549 E C 1.448 178.031 176.600 -0.028 0.000 1.007 549 E CA 1.484 57.872 56.400 -0.021 0.000 0.845 549 E CB -0.368 29.330 29.700 -0.003 0.000 0.766 549 E HN 0.694 nan 8.360 nan 0.000 0.507 550 E N -0.039 120.128 120.200 -0.056 0.000 2.340 550 E HA -0.004 4.342 4.350 -0.007 0.000 0.194 550 E C 1.603 178.083 176.600 -0.199 0.000 0.996 550 E CA 0.901 57.206 56.400 -0.158 0.000 0.869 550 E CB 0.499 30.114 29.700 -0.141 0.000 0.835 550 E HN 0.573 nan 8.360 nan 0.000 0.493 551 C N -1.069 118.174 119.300 -0.095 0.000 3.785 551 C HA 0.302 4.758 4.460 -0.007 0.000 0.312 551 C C 2.499 177.447 174.990 -0.069 0.000 1.566 551 C CA -0.071 58.922 59.018 -0.043 0.000 1.837 551 C CB -0.566 27.189 27.740 0.024 0.000 2.826 551 C HN 0.223 nan 8.230 nan 0.000 0.667 552 S N 2.089 117.745 115.700 -0.073 0.000 2.400 552 S HA -0.190 4.276 4.470 -0.007 0.000 0.232 552 S C 1.926 176.503 174.600 -0.037 0.000 1.025 552 S CA 1.323 59.477 58.200 -0.077 0.000 0.993 552 S CB -0.568 62.598 63.200 -0.057 0.000 0.808 552 S HN 0.770 nan 8.310 nan 0.000 0.478 553 R N 0.686 121.192 120.500 0.009 0.000 2.093 553 R HA 0.093 4.429 4.340 -0.007 0.000 0.224 553 R C 2.615 178.948 176.300 0.055 0.000 1.101 553 R CA 1.391 57.517 56.100 0.044 0.000 0.979 553 R CB -0.258 30.103 30.300 0.101 0.000 0.877 553 R HN 0.433 nan 8.270 nan 0.000 0.441 554 Q N 0.107 119.958 119.800 0.085 0.000 2.172 554 Q HA -0.054 4.282 4.340 -0.007 0.000 0.200 554 Q C 1.785 177.941 176.000 0.260 0.000 0.964 554 Q CA 0.768 56.671 55.803 0.168 0.000 0.855 554 Q CB -0.012 28.867 28.738 0.235 0.000 0.918 554 Q HN 0.109 nan 8.270 nan 0.000 0.444 555 L N 0.827 122.089 121.223 0.066 0.000 1.970 555 L HA -0.218 4.118 4.340 -0.007 0.000 0.212 555 L C 1.527 178.384 176.870 -0.021 0.000 1.071 555 L CA 1.989 56.758 54.840 -0.119 0.000 0.751 555 L CB -1.141 40.740 42.059 -0.296 0.000 0.889 555 L HN 0.212 nan 8.230 nan 0.000 0.432 556 D N -0.915 119.473 120.400 -0.020 0.000 2.178 556 D HA -0.178 4.458 4.640 -0.007 0.000 0.201 556 D C 2.264 178.570 176.300 0.010 0.000 0.980 556 D CA 0.809 54.803 54.000 -0.009 0.000 0.842 556 D CB 0.120 40.916 40.800 -0.008 0.000 0.948 556 D HN 0.354 nan 8.370 nan 0.000 0.472 557 E N -0.419 119.799 120.200 0.031 0.000 2.106 557 E HA -0.143 4.203 4.350 -0.007 0.000 0.192 557 E C 1.929 178.543 176.600 0.023 0.000 0.984 557 E CA 0.352 56.768 56.400 0.027 0.000 0.806 557 E CB 0.002 29.720 29.700 0.029 0.000 0.750 557 E HN 0.149 nan 8.360 nan 0.000 0.458 558 L N 1.066 122.320 121.223 0.053 0.000 2.141 558 L HA -0.118 4.218 4.340 -0.007 0.000 0.209 558 L C 2.058 178.918 176.870 -0.016 0.000 1.094 558 L CA 1.138 55.987 54.840 0.014 0.000 0.763 558 L CB -0.252 41.852 42.059 0.074 0.000 0.908 558 L HN 0.163 nan 8.230 nan 0.000 0.437 559 I N -1.297 119.273 120.570 0.000 0.000 2.099 559 I HA -0.373 3.793 4.170 -0.007 0.000 0.239 559 I C 2.265 178.373 176.117 -0.015 0.000 1.066 559 I CA 1.884 63.178 61.300 -0.009 0.000 1.324 559 I CB -0.718 37.276 38.000 -0.011 0.000 1.037 559 I HN 0.231 nan 8.210 nan 0.000 0.401 560 T N 1.407 115.953 114.554 -0.012 0.000 2.635 560 T HA -0.198 4.147 4.350 -0.007 0.000 0.267 560 T C 1.945 176.628 174.700 -0.029 0.000 1.040 560 T CA 1.477 63.569 62.100 -0.014 0.000 1.156 560 T CB -0.405 68.459 68.868 -0.007 0.000 0.863 560 T HN 0.222 nan 8.240 nan 0.000 0.430 561 L N 0.550 121.752 121.223 -0.036 0.000 2.012 561 L HA -0.150 4.186 4.340 -0.007 0.000 0.210 561 L C 3.054 179.855 176.870 -0.115 0.000 1.073 561 L CA 1.387 56.191 54.840 -0.059 0.000 0.748 561 L CB -0.722 41.306 42.059 -0.050 0.000 0.891 561 L HN 0.263 nan 8.230 nan 0.000 0.431 562 A N -0.425 122.330 122.820 -0.109 0.000 1.908 562 A HA -0.284 4.032 4.320 -0.007 0.000 0.218 562 A C 2.183 179.707 177.584 -0.100 0.000 1.181 562 A CA 1.825 53.788 52.037 -0.122 0.000 0.627 562 A CB -0.544 18.445 19.000 -0.020 0.000 0.818 562 A HN 0.516 nan 8.150 nan 0.000 0.445 563 Q N -0.957 118.818 119.800 -0.042 0.000 2.124 563 Q HA -0.090 4.246 4.340 -0.007 0.000 0.202 563 Q C 2.146 178.128 176.000 -0.029 0.000 0.977 563 Q CA 1.143 56.939 55.803 -0.012 0.000 0.850 563 Q CB -0.399 28.339 28.738 0.000 0.000 0.901 563 Q HN 0.692 nan 8.270 nan 0.000 0.429 564 G N 0.758 109.523 108.800 -0.059 0.000 2.421 564 G HA2 -0.213 3.743 3.960 -0.007 0.000 0.217 564 G HA3 -0.213 3.743 3.960 -0.007 0.000 0.217 564 G C 0.880 175.730 174.900 -0.083 0.000 1.143 564 G CA 0.711 45.778 45.100 -0.054 0.000 0.784 564 G HN 0.206 nan 8.290 nan 0.000 0.541 565 D N 0.435 120.699 120.400 -0.226 0.000 2.117 565 D HA -0.066 4.570 4.640 -0.007 0.000 0.198 565 D C 2.320 178.452 176.300 -0.279 0.000 0.982 565 D CA 0.659 54.383 54.000 -0.460 0.000 0.828 565 D CB -0.081 39.814 40.800 -1.508 0.000 0.967 565 D HN 0.159 nan 8.370 nan 0.000 0.464 566 K N 1.430 121.759 120.400 -0.119 0.000 2.032 566 K HA -0.091 4.225 4.320 -0.007 0.000 0.209 566 K C 1.893 178.604 176.600 0.184 0.000 1.048 566 K CA 1.348 57.750 56.287 0.191 0.000 0.927 566 K CB -0.292 32.347 32.500 0.233 0.000 0.712 566 K HN 0.027 nan 8.250 nan 0.000 0.441 567 A N 0.548 123.424 122.820 0.094 0.000 1.972 567 A HA -0.086 4.230 4.320 -0.007 0.000 0.219 567 A C 2.306 179.927 177.584 0.062 0.000 1.169 567 A CA 1.892 53.974 52.037 0.076 0.000 0.635 567 A CB -0.454 18.560 19.000 0.024 0.000 0.810 567 A HN 0.401 nan 8.150 nan 0.000 0.446 568 S N -0.122 115.608 115.700 0.051 0.000 2.368 568 S HA -0.079 4.387 4.470 -0.007 0.000 0.225 568 S C 1.815 176.467 174.600 0.087 0.000 1.030 568 S CA 1.359 59.580 58.200 0.035 0.000 0.999 568 S CB -0.415 62.768 63.200 -0.028 0.000 0.844 568 S HN 0.545 nan 8.310 nan 0.000 0.459 569 L N 1.320 122.620 121.223 0.129 0.000 2.046 569 L HA -0.166 4.170 4.340 -0.007 0.000 0.208 569 L C 2.163 179.104 176.870 0.119 0.000 1.077 569 L CA 1.136 55.991 54.840 0.024 0.000 0.747 569 L CB -0.755 41.065 42.059 -0.399 0.000 0.896 569 L HN 0.201 nan 8.230 nan 0.000 0.432 570 D N -0.152 120.372 120.400 0.207 0.000 2.133 570 D HA -0.232 4.404 4.640 -0.007 0.000 0.195 570 D C 2.302 178.707 176.300 0.175 0.000 0.997 570 D CA 1.358 55.495 54.000 0.228 0.000 0.840 570 D CB -0.127 40.784 40.800 0.185 0.000 0.947 570 D HN 0.245 nan 8.370 nan 0.000 0.452 571 M N -0.101 119.586 119.600 0.144 0.000 2.082 571 M HA -0.184 4.292 4.480 -0.007 0.000 0.258 571 M C 1.928 178.397 176.300 0.282 0.000 1.069 571 M CA 1.013 56.442 55.300 0.215 0.000 1.102 571 M CB -0.071 32.620 32.600 0.151 0.000 1.336 571 M HN 0.038 nan 8.290 nan 0.000 0.404 572 I N -0.367 120.314 120.570 0.185 0.000 2.163 572 I HA -0.220 3.945 4.170 -0.007 0.000 0.243 572 I C 2.418 178.610 176.117 0.125 0.000 1.085 572 I CA 1.373 62.755 61.300 0.137 0.000 1.347 572 I CB -1.474 36.562 38.000 0.059 0.000 1.044 572 I HN 0.125 nan 8.210 nan 0.000 0.408 573 V N 1.343 121.339 119.914 0.136 0.000 2.343 573 V HA -0.240 3.876 4.120 -0.007 0.000 0.247 573 V C 2.814 178.983 176.094 0.124 0.000 1.051 573 V CA 1.718 64.098 62.300 0.132 0.000 1.036 573 V CB -1.233 30.696 31.823 0.176 0.000 0.654 573 V HN 0.461 nan 8.190 nan 0.000 0.451 574 A N -0.905 122.007 122.820 0.154 0.000 1.933 574 A HA -0.281 4.034 4.320 -0.007 0.000 0.218 574 A C 2.193 179.847 177.584 0.117 0.000 1.175 574 A CA 1.965 54.093 52.037 0.151 0.000 0.628 574 A CB -0.425 18.702 19.000 0.213 0.000 0.814 574 A HN 0.628 nan 8.150 nan 0.000 0.444 575 Q N -0.408 119.458 119.800 0.110 0.000 1.993 575 Q HA -0.098 4.238 4.340 -0.007 0.000 0.202 575 Q C 2.098 178.116 176.000 0.030 0.000 0.984 575 Q CA 1.540 57.352 55.803 0.014 0.000 0.837 575 Q CB -0.390 28.348 28.738 -0.001 0.000 0.902 575 Q HN 0.666 nan 8.270 nan 0.000 0.423 576 L N 1.018 122.275 121.223 0.057 0.000 2.064 576 L HA -0.279 4.057 4.340 -0.007 0.000 0.216 576 L C 1.759 178.656 176.870 0.044 0.000 1.077 576 L CA 0.939 55.811 54.840 0.053 0.000 0.766 576 L CB -0.564 41.530 42.059 0.058 0.000 0.890 576 L HN 0.288 nan 8.230 nan 0.000 0.435 577 N N 0.038 118.769 118.700 0.051 0.000 2.467 577 N HA -0.061 4.675 4.740 -0.007 0.000 0.184 577 N C 0.120 175.651 175.510 0.036 0.000 1.106 577 N CA 0.278 53.355 53.050 0.045 0.000 0.892 577 N CB 0.082 38.602 38.487 0.055 0.000 0.969 577 N HN 0.276 nan 8.380 nan 0.000 0.454 578 E N 0.256 120.473 120.200 0.028 0.000 2.440 578 E HA -0.208 4.138 4.350 -0.007 0.000 0.246 578 E C -0.875 175.741 176.600 0.027 0.000 1.165 578 E CA 0.370 56.779 56.400 0.015 0.000 0.726 578 E CB -1.057 28.649 29.700 0.010 0.000 1.271 578 E HN 0.232 nan 8.360 nan 0.000 0.397 579 D N -0.126 120.303 120.400 0.049 0.000 2.467 579 D HA 0.140 4.776 4.640 -0.007 0.000 0.220 579 D C 0.796 177.154 176.300 0.097 0.000 1.103 579 D CA -0.078 53.962 54.000 0.065 0.000 0.886 579 D CB 0.812 41.655 40.800 0.072 0.000 1.025 579 D HN -0.011 nan 8.370 nan 0.000 0.514 580 T N 2.655 117.257 114.554 0.079 0.000 2.788 580 T HA -0.154 4.192 4.350 -0.007 0.000 0.268 580 T C 1.419 176.216 174.700 0.162 0.000 1.044 580 T CA 1.225 63.393 62.100 0.112 0.000 1.139 580 T CB 0.223 69.132 68.868 0.068 0.000 0.867 580 T HN 0.376 nan 8.240 nan 0.000 0.454 581 E N 1.481 121.745 120.200 0.106 0.000 2.028 581 E HA 0.082 4.428 4.350 -0.007 0.000 0.191 581 E C 2.480 179.132 176.600 0.088 0.000 0.988 581 E CA 1.137 57.588 56.400 0.084 0.000 0.799 581 E CB -0.575 29.158 29.700 0.056 0.000 0.755 581 E HN 0.448 nan 8.360 nan 0.000 0.447 582 A N 0.152 123.029 122.820 0.095 0.000 1.978 582 A HA -0.227 4.089 4.320 -0.007 0.000 0.220 582 A C 2.136 179.786 177.584 0.110 0.000 1.170 582 A CA 1.611 53.701 52.037 0.089 0.000 0.636 582 A CB -0.838 18.217 19.000 0.091 0.000 0.810 582 A HN 0.434 nan 8.150 nan 0.000 0.448 583 Y N 0.651 120.974 120.300 0.038 0.000 2.145 583 Y HA -0.171 4.376 4.550 -0.006 0.000 0.286 583 Y C 2.296 178.215 175.900 0.032 0.000 1.145 583 Y CA 2.107 60.231 58.100 0.040 0.000 1.148 583 Y CB -0.101 38.383 38.460 0.039 0.000 0.981 583 Y HN 0.301 nan 8.280 nan 0.000 0.507 584 E N -0.281 119.899 120.200 -0.034 0.000 2.072 584 E HA -0.199 4.147 4.350 -0.007 0.000 0.191 584 E C 2.486 178.997 176.600 -0.149 0.000 0.985 584 E CA 1.272 57.597 56.400 -0.125 0.000 0.801 584 E CB -0.704 29.019 29.700 0.038 0.000 0.750 584 E HN 0.452 nan 8.360 nan 0.000 0.452 585 S N 0.419 116.076 115.700 -0.072 0.000 2.368 585 S HA -0.119 4.346 4.470 -0.007 0.000 0.225 585 S C 2.039 176.594 174.600 -0.075 0.000 1.030 585 S CA 1.362 59.530 58.200 -0.052 0.000 0.999 585 S CB -0.030 63.162 63.200 -0.012 0.000 0.844 585 S HN 0.279 nan 8.310 nan 0.000 0.459 586 A N 1.376 124.137 122.820 -0.099 0.000 1.929 586 A HA 0.021 4.337 4.320 -0.007 0.000 0.216 586 A C 2.123 179.617 177.584 -0.151 0.000 1.176 586 A CA 1.605 53.590 52.037 -0.087 0.000 0.628 586 A CB -0.661 18.317 19.000 -0.037 0.000 0.816 586 A HN 0.654 nan 8.150 nan 0.000 0.444 587 K N 0.417 120.635 120.400 -0.303 0.000 2.026 587 K HA -0.260 4.056 4.320 -0.007 0.000 0.208 587 K C 1.991 178.492 176.600 -0.166 0.000 1.048 587 K CA 2.038 58.137 56.287 -0.313 0.000 0.929 587 K CB -0.209 31.952 32.500 -0.566 0.000 0.713 587 K HN 0.511 nan 8.250 nan 0.000 0.439 588 E N 1.153 121.272 120.200 -0.136 0.000 2.118 588 E HA -0.199 4.147 4.350 -0.007 0.000 0.195 588 E C 1.796 178.362 176.600 -0.057 0.000 0.992 588 E CA 1.747 58.100 56.400 -0.078 0.000 0.804 588 E CB -0.486 29.179 29.700 -0.058 0.000 0.741 588 E HN 0.525 nan 8.360 nan 0.000 0.458 589 I N 0.945 121.482 120.570 -0.055 0.000 2.202 589 I HA -0.204 3.962 4.170 -0.007 0.000 0.242 589 I C 2.592 178.689 176.117 -0.034 0.000 1.091 589 I CA 1.142 62.421 61.300 -0.034 0.000 1.368 589 I CB -0.559 37.429 38.000 -0.021 0.000 1.058 589 I HN 0.305 nan 8.210 nan 0.000 0.410 590 A N 0.192 122.984 122.820 -0.046 0.000 1.908 590 A HA -0.297 4.019 4.320 -0.007 0.000 0.218 590 A C 2.250 179.810 177.584 -0.040 0.000 1.181 590 A CA 2.078 54.090 52.037 -0.042 0.000 0.627 590 A CB -0.645 18.323 19.000 -0.054 0.000 0.818 590 A HN 0.436 nan 8.150 nan 0.000 0.445 591 Q N 0.221 119.992 119.800 -0.048 0.000 2.167 591 Q HA -0.079 4.257 4.340 -0.007 0.000 0.202 591 Q C 1.895 177.880 176.000 -0.026 0.000 0.970 591 Q CA 1.774 57.554 55.803 -0.038 0.000 0.855 591 Q CB -0.387 28.326 28.738 -0.043 0.000 0.911 591 Q HN 0.723 nan 8.270 nan 0.000 0.438 592 N N -0.621 118.064 118.700 -0.025 0.000 2.142 592 N HA -0.117 4.619 4.740 -0.007 0.000 0.186 592 N C 1.308 176.810 175.510 -0.013 0.000 1.023 592 N CA 0.989 54.028 53.050 -0.017 0.000 0.852 592 N CB 0.158 38.635 38.487 -0.016 0.000 0.998 592 N HN 0.161 nan 8.380 nan 0.000 0.424 593 K N 1.248 121.638 120.400 -0.016 0.000 2.057 593 K HA -0.119 4.197 4.320 -0.007 0.000 0.207 593 K C 2.045 178.638 176.600 -0.012 0.000 1.049 593 K CA 0.470 56.748 56.287 -0.015 0.000 0.931 593 K CB -0.693 31.795 32.500 -0.020 0.000 0.714 593 K HN 0.158 nan 8.250 nan 0.000 0.440 594 L N 2.234 123.449 121.223 -0.014 0.000 2.017 594 L HA -0.148 4.188 4.340 -0.007 0.000 0.208 594 L C 1.602 178.469 176.870 -0.004 0.000 1.073 594 L CA 1.782 56.617 54.840 -0.008 0.000 0.745 594 L CB -0.714 41.339 42.059 -0.010 0.000 0.894 594 L HN 0.089 nan 8.230 nan 0.000 0.432 595 N N -0.793 117.904 118.700 -0.006 0.000 2.166 595 N HA -0.156 4.580 4.740 -0.007 0.000 0.186 595 N C 1.734 177.245 175.510 0.002 0.000 1.019 595 N CA 1.827 54.877 53.050 -0.001 0.000 0.856 595 N CB -0.744 37.741 38.487 -0.004 0.000 0.993 595 N HN 0.421 nan 8.380 nan 0.000 0.426 596 T N 0.913 115.468 114.554 0.001 0.000 2.684 596 T HA -0.111 4.235 4.350 -0.007 0.000 0.267 596 T C 1.950 176.654 174.700 0.006 0.000 1.036 596 T CA 1.556 63.658 62.100 0.004 0.000 1.148 596 T CB -0.407 68.462 68.868 0.001 0.000 0.863 596 T HN 0.362 nan 8.240 nan 0.000 0.436 597 A N 1.177 123.999 122.820 0.003 0.000 1.877 597 A HA 0.016 4.332 4.320 -0.007 0.000 0.216 597 A C 2.330 179.916 177.584 0.004 0.000 1.186 597 A CA 1.236 53.275 52.037 0.003 0.000 0.620 597 A CB -0.904 18.097 19.000 0.002 0.000 0.822 597 A HN 0.473 nan 8.150 nan 0.000 0.443 598 L N -0.205 121.023 121.223 0.008 0.000 2.079 598 L HA -0.179 4.156 4.340 -0.007 0.000 0.210 598 L C 2.702 179.580 176.870 0.014 0.000 1.081 598 L CA 1.594 56.442 54.840 0.012 0.000 0.752 598 L CB -0.368 41.699 42.059 0.013 0.000 0.896 598 L HN 0.332 nan 8.230 nan 0.000 0.433 599 S N -1.320 114.389 115.700 0.016 0.000 2.461 599 S HA -0.054 4.412 4.470 -0.007 0.000 0.228 599 S C 1.109 175.729 174.600 0.033 0.000 1.005 599 S CA 0.170 58.384 58.200 0.023 0.000 0.942 599 S CB -0.038 63.174 63.200 0.021 0.000 0.776 599 S HN 0.366 nan 8.310 nan 0.000 0.514 600 S N 0.589 116.306 115.700 0.027 0.000 2.572 600 S HA 0.185 4.650 4.470 -0.007 0.000 0.279 600 S C 0.827 175.456 174.600 0.049 0.000 1.341 600 S CA -0.605 57.623 58.200 0.046 0.000 1.043 600 S CB 0.112 63.329 63.200 0.029 0.000 0.887 600 S HN 0.354 nan 8.310 nan 0.000 0.516 601 F N 4.451 124.376 119.950 -0.041 0.000 2.095 601 F HA 0.109 4.632 4.527 -0.007 0.000 0.298 601 F C 1.313 177.052 175.800 -0.101 0.000 1.104 601 F CA 1.233 59.191 58.000 -0.070 0.000 1.232 601 F CB -0.737 38.228 39.000 -0.059 0.000 0.987 601 F HN 0.688 nan 8.300 nan 0.000 0.475 602 A N 1.003 123.710 122.820 -0.188 0.000 2.498 602 A HA 0.427 4.743 4.320 -0.007 0.000 0.239 602 A C -0.593 176.845 177.584 -0.243 0.000 1.068 602 A CA -0.034 51.850 52.037 -0.255 0.000 0.766 602 A CB 0.053 19.038 19.000 -0.025 0.000 1.003 602 A HN 0.166 nan 8.150 nan 0.000 0.497 603 V N 3.459 123.218 119.914 -0.259 0.000 2.638 603 V HA 0.655 4.771 4.120 -0.007 0.000 0.306 603 V C -0.298 175.754 176.094 -0.070 0.000 1.052 603 V CA -0.303 61.911 62.300 -0.143 0.000 0.885 603 V CB 1.498 33.227 31.823 -0.157 0.000 0.999 603 V HN 0.867 nan 8.190 nan 0.000 0.424 604 I N 2.704 123.263 120.570 -0.018 0.000 2.775 604 I HA 0.502 4.668 4.170 -0.007 0.000 0.295 604 I C 0.388 176.523 176.117 0.030 0.000 1.287 604 I CA -0.064 61.232 61.300 -0.007 0.000 1.029 604 I CB 2.279 40.270 38.000 -0.015 0.000 1.282 604 I HN 0.761 nan 8.210 nan 0.000 0.426 605 S N 3.068 118.796 115.700 0.047 0.000 3.682 605 S HA -0.169 4.297 4.470 -0.007 0.000 0.354 605 S C 0.974 175.620 174.600 0.075 0.000 1.034 605 S CA 1.444 59.702 58.200 0.098 0.000 1.084 605 S CB -0.840 62.504 63.200 0.241 0.000 0.903 605 S HN 0.859 nan 8.310 nan 0.000 0.470 606 E N 0.993 121.221 120.200 0.047 0.000 2.085 606 E HA -0.112 4.234 4.350 -0.007 0.000 0.194 606 E C 1.930 178.561 176.600 0.050 0.000 0.994 606 E CA 1.445 57.871 56.400 0.044 0.000 0.801 606 E CB -0.014 29.705 29.700 0.031 0.000 0.743 606 E HN 0.393 nan 8.360 nan 0.000 0.453 607 K N -0.042 120.382 120.400 0.040 0.000 2.444 607 K HA 0.116 4.432 4.320 -0.007 0.000 0.193 607 K C 1.197 177.845 176.600 0.081 0.000 1.024 607 K CA 0.275 56.590 56.287 0.046 0.000 1.077 607 K CB 0.585 33.094 32.500 0.014 0.000 0.833 607 K HN 0.073 nan 8.250 nan 0.000 0.517 608 V N -0.579 119.391 119.914 0.094 0.000 4.233 608 V HA 0.174 4.290 4.120 -0.007 0.000 0.183 608 V C 1.930 178.132 176.094 0.181 0.000 1.097 608 V CA 0.743 63.118 62.300 0.126 0.000 1.385 608 V CB -0.796 31.065 31.823 0.063 0.000 1.805 608 V HN 0.053 nan 8.190 nan 0.000 0.496 609 A N -0.509 122.421 122.820 0.184 0.000 1.972 609 A HA -0.266 4.050 4.320 -0.007 0.000 0.219 609 A C 2.123 179.769 177.584 0.103 0.000 1.169 609 A CA 2.500 54.605 52.037 0.113 0.000 0.635 609 A CB -0.520 18.510 19.000 0.049 0.000 0.810 609 A HN 0.672 nan 8.150 nan 0.000 0.446 610 Q N -0.599 119.263 119.800 0.103 0.000 2.036 610 Q HA -0.101 4.235 4.340 -0.007 0.000 0.195 610 Q C 2.337 178.397 176.000 0.099 0.000 0.971 610 Q CA 1.613 57.462 55.803 0.076 0.000 0.826 610 Q CB -0.244 28.527 28.738 0.056 0.000 0.896 610 Q HN 0.628 nan 8.270 nan 0.000 0.449 611 S N -0.159 115.612 115.700 0.118 0.000 2.400 611 S HA -0.186 4.280 4.470 -0.007 0.000 0.232 611 S C 1.753 176.464 174.600 0.185 0.000 1.025 611 S CA 1.037 59.309 58.200 0.118 0.000 0.993 611 S CB -0.605 62.659 63.200 0.107 0.000 0.808 611 S HN 0.537 nan 8.310 nan 0.000 0.478 612 F N 2.230 122.248 119.950 0.114 0.000 2.154 612 F HA -0.052 4.472 4.527 -0.006 0.000 0.301 612 F C 1.749 177.648 175.800 0.165 0.000 1.087 612 F CA 1.599 59.720 58.000 0.201 0.000 1.274 612 F CB -0.402 38.684 39.000 0.144 0.000 1.009 612 F HN 0.266 nan 8.300 nan 0.000 0.485 613 I N -0.139 120.476 120.570 0.075 0.000 2.315 613 I HA -0.303 3.863 4.170 -0.007 0.000 0.248 613 I C 2.262 178.332 176.117 -0.077 0.000 1.117 613 I CA 1.315 62.586 61.300 -0.049 0.000 1.404 613 I CB -0.728 37.268 38.000 -0.006 0.000 1.071 613 I HN 0.216 nan 8.210 nan 0.000 0.419 614 Q N 0.780 120.557 119.800 -0.038 0.000 2.119 614 Q HA -0.210 4.126 4.340 -0.007 0.000 0.201 614 Q C 2.063 177.993 176.000 -0.116 0.000 0.972 614 Q CA 1.393 57.163 55.803 -0.055 0.000 0.847 614 Q CB -0.145 28.578 28.738 -0.026 0.000 0.903 614 Q HN 0.548 nan 8.270 nan 0.000 0.433 615 E N 0.926 121.037 120.200 -0.148 0.000 2.031 615 E HA -0.191 4.155 4.350 -0.007 0.000 0.193 615 E C 2.046 178.340 176.600 -0.510 0.000 0.994 615 E CA 1.086 57.282 56.400 -0.340 0.000 0.800 615 E CB -0.176 29.364 29.700 -0.267 0.000 0.752 615 E HN 0.370 nan 8.360 nan 0.000 0.447 616 A N 1.073 123.668 122.820 -0.375 0.000 1.902 616 A HA -0.163 4.153 4.320 -0.007 0.000 0.217 616 A C 2.193 179.732 177.584 -0.074 0.000 1.181 616 A CA 1.104 53.017 52.037 -0.206 0.000 0.623 616 A CB -0.692 18.204 19.000 -0.174 0.000 0.818 616 A HN 0.151 nan 8.150 nan 0.000 0.443 617 L N -0.383 120.793 121.223 -0.077 0.000 2.191 617 L HA -0.134 4.202 4.340 -0.007 0.000 0.212 617 L C 2.222 179.091 176.870 -0.002 0.000 1.103 617 L CA 1.384 56.214 54.840 -0.017 0.000 0.769 617 L CB -0.108 41.929 42.059 -0.036 0.000 0.908 617 L HN 0.316 nan 8.230 nan 0.000 0.438 618 S N -1.649 114.012 115.700 -0.065 0.000 2.511 618 S HA 0.116 4.582 4.470 -0.007 0.000 0.214 618 S C 0.383 174.925 174.600 -0.098 0.000 0.997 618 S CA -0.403 57.747 58.200 -0.083 0.000 0.908 618 S CB 0.089 63.212 63.200 -0.127 0.000 0.803 618 S HN 0.159 nan 8.310 nan 0.000 0.504 619 F N 3.459 123.258 119.950 -0.252 0.000 2.413 619 F HA 0.256 4.781 4.527 -0.003 0.000 0.359 619 F C 0.006 175.746 175.800 -0.100 0.000 1.122 619 F CA -0.715 57.139 58.000 -0.244 0.000 1.160 619 F CB 0.467 39.217 39.000 -0.417 0.000 1.146 619 F HN -0.084 nan 8.300 nan 0.000 0.514 620 D N 6.701 127.068 120.400 -0.056 0.000 2.485 620 D HA 0.094 4.730 4.640 -0.007 0.000 0.221 620 D C 0.593 176.916 176.300 0.038 0.000 1.112 620 D CA -0.217 53.779 54.000 -0.008 0.000 0.911 620 D CB 0.856 41.608 40.800 -0.080 0.000 1.019 620 D HN 0.457 nan 8.370 nan 0.000 0.516 621 L N 3.338 124.677 121.223 0.194 0.000 2.478 621 L HA 0.003 4.339 4.340 -0.007 0.000 0.223 621 L C 2.271 179.184 176.870 0.071 0.000 1.140 621 L CA 1.171 56.149 54.840 0.231 0.000 0.842 621 L CB -0.824 41.390 42.059 0.259 0.000 0.953 621 L HN 0.517 nan 8.230 nan 0.000 0.452 622 T N -3.977 110.569 114.554 -0.014 0.000 3.129 622 T HA 0.017 4.363 4.350 -0.007 0.000 0.251 622 T C 0.823 175.504 174.700 -0.033 0.000 1.117 622 T CA -0.262 61.812 62.100 -0.043 0.000 1.034 622 T CB -0.322 68.483 68.868 -0.105 0.000 0.968 622 T HN -0.062 nan 8.240 nan 0.000 0.526 623 L N 3.442 124.647 121.223 -0.030 0.000 2.451 623 L HA 0.277 4.613 4.340 -0.007 0.000 0.272 623 L C 0.759 177.619 176.870 -0.016 0.000 1.258 623 L CA -0.762 54.058 54.840 -0.033 0.000 1.132 623 L CB -1.665 40.361 42.059 -0.054 0.000 1.361 623 L HN 0.347 nan 8.230 nan 0.000 0.438 624 I N 0.000 120.563 120.570 -0.012 0.000 2.984 624 I HA 0.000 4.166 4.170 -0.007 0.000 0.288 624 I CA 0.000 61.299 61.300 -0.001 0.000 1.566 624 I CB 0.000 37.998 38.000 -0.003 0.000 1.214 624 I HN 0.000 nan 8.210 nan 0.000 0.494