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 2ffl_1_B DATA FIRST_RESID 0 DATA SEQUENCE AMHALGHCCT VVTTRGPSHW LLLLDTHLGT LPGFKVSAGR GLPAAEVYFE DATA SEQUENCE AGPRVSLSRT DATIVAVYQS ILFQLLGPTF PASWTEIGAT MPHNEYTFPR DATA SEQUENCE FISNPPQFAT LAFLPLLSPT SPLDLRALMV TAQLMCDAKR LSDEXXXXXX DATA SEQUENCE LSASLHGRMV ATPEISWSLY VVLGIDSTQT SLSYFTRANE SITYMRYYAT DATA SEQUENCE AHNIHLRAAD LPLVAAVRLD DLKDHQIPAP GSXDDLAPKL RFLPPELCLL DATA SEQUENCE LPDEFDLIRV QALQFLPEIA KHICDIQNTI CALDKSFPDC GRIGGERYFA DATA SEQUENCE ITAGLRLDQG RGRGLAGWRT PFGPFGVSHT DVFQRLELLG DAVLGFIVTA DATA SEQUENCE RLLCLFPDAS VGTLVELKME LVRNEALNYL VQTLGLPQLA EXXNNLVAKS DATA SEQUENCE KTWADMYEEI VGSIFTGPNG IYGCEEFLAK TLMSPEHSKT XXXACPDAVT DATA SEQUENCE KASKRVCMGE AGAHEFRSLV DYACEQGISV FCSSRVSTMF LERLRDIPAE DATA SEQUENCE DMLDWYRLGI QFSHRSGLSG XXXXVSVIDI MTHLARGLWL GSPGFYVEXX DATA SEQUENCE XXXXXXXXPP TIPVLYIYHR SVQCPVLYGS LTXXXTGPVA SKVLALYEKI DATA SEQUENCE LAYESSGGSK HIAAQTVSRS LAVPIPSGTI PFLIRLLQIA LTPHVYQKLE DATA SEQUENCE LLGDAFLKCS LALHLHALHP TLTEGALTRM RQSAETNSVL GRLTKRFPSV DATA SEQUENCE VSEVIIESHP KIQPDSKVYG DTFEAILAAI LLACGEEAAG AFVREHVLPQ DATA SEQUENCE VVADA 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.618 177.584 0.056 0.000 1.274 0 A CA 0.000 52.067 52.037 0.050 0.000 0.836 0 A CB 0.000 19.035 19.000 0.058 0.000 0.831 1 M N 0.851 120.483 119.600 0.055 0.000 2.080 1 M HA -0.109 4.367 4.480 -0.006 0.000 0.260 1 M C 0.920 177.249 176.300 0.048 0.000 1.068 1 M CA 1.542 56.864 55.300 0.037 0.000 1.109 1 M CB -0.232 32.381 32.600 0.022 0.000 1.342 1 M HN 0.788 nan 8.290 nan 0.000 0.405 2 H N 1.276 120.343 119.070 -0.005 0.000 3.342 2 H HA 0.243 4.795 4.556 -0.008 0.000 0.233 2 H C -1.294 174.014 175.328 -0.034 0.000 0.967 2 H CA 0.936 56.971 56.048 -0.022 0.000 1.404 2 H CB -0.624 29.121 29.762 -0.028 0.000 1.560 2 H HN 0.404 nan 8.280 nan 0.000 0.510 3 A N 6.162 129.013 122.820 0.051 0.000 2.500 3 A HA 0.425 4.742 4.320 -0.006 0.000 0.291 3 A C -1.461 176.118 177.584 -0.009 0.000 1.048 3 A CA -0.734 51.329 52.037 0.043 0.000 0.791 3 A CB 0.803 19.822 19.000 0.032 0.000 1.309 3 A HN 0.439 nan 8.150 nan 0.000 0.397 4 L N 1.692 122.913 121.223 -0.004 0.000 2.334 4 L HA 0.793 5.129 4.340 -0.006 0.000 0.275 4 L C 0.983 177.830 176.870 -0.039 0.000 1.036 4 L CA -0.037 54.781 54.840 -0.035 0.000 0.807 4 L CB 1.924 43.971 42.059 -0.020 0.000 1.231 4 L HN 0.837 nan 8.230 nan 0.000 0.438 5 G N -0.320 108.400 108.800 -0.134 0.000 2.441 5 G HA2 0.645 4.601 3.960 -0.006 0.000 0.334 5 G HA3 0.645 4.601 3.960 -0.006 0.000 0.334 5 G C -1.097 173.605 174.900 -0.330 0.000 1.161 5 G CA -0.218 44.818 45.100 -0.107 0.000 0.935 5 G HN 0.572 nan 8.290 nan 0.000 0.488 6 H N -0.376 118.739 119.070 0.076 0.000 3.083 6 H HA 0.152 4.703 4.556 -0.007 0.000 0.339 6 H C -1.072 174.364 175.328 0.181 0.000 1.020 6 H CA -0.591 55.540 56.048 0.138 0.000 1.360 6 H CB 1.577 31.449 29.762 0.182 0.000 1.811 6 H HN 0.476 nan 8.280 nan 0.000 0.493 7 C N 3.276 122.724 119.300 0.247 0.000 2.485 7 C HA 0.048 4.504 4.460 -0.006 0.000 0.408 7 C C 1.367 176.505 174.990 0.246 0.000 1.034 7 C CA -0.275 58.865 59.018 0.203 0.000 1.267 7 C CB -1.776 26.029 27.740 0.109 0.000 1.703 7 C HN 0.617 nan 8.230 nan 0.000 0.530 8 C N 4.242 123.721 119.300 0.298 0.000 2.566 8 C HA 0.434 4.890 4.460 -0.006 0.000 0.393 8 C C 0.754 175.838 174.990 0.155 0.000 1.309 8 C CA 0.526 59.656 59.018 0.185 0.000 1.801 8 C CB -1.005 26.929 27.740 0.323 0.000 2.493 8 C HN 0.867 nan 8.230 nan 0.000 0.575 9 T N 6.043 120.601 114.554 0.007 0.000 2.833 9 T HA 0.346 4.692 4.350 -0.006 0.000 0.297 9 T C -0.421 174.227 174.700 -0.086 0.000 1.015 9 T CA -0.298 61.836 62.100 0.057 0.000 0.963 9 T CB 1.138 70.096 68.868 0.150 0.000 0.955 9 T HN 0.497 nan 8.240 nan 0.000 0.449 10 V N 4.637 124.497 119.914 -0.090 0.000 2.385 10 V HA 0.369 4.485 4.120 -0.006 0.000 0.269 10 V C -0.026 175.966 176.094 -0.170 0.000 1.043 10 V CA -0.521 61.649 62.300 -0.216 0.000 0.906 10 V CB 1.244 32.962 31.823 -0.176 0.000 0.995 10 V HN 0.682 nan 8.190 nan 0.000 0.467 11 V N 5.136 124.927 119.914 -0.204 0.000 2.378 11 V HA 0.583 4.699 4.120 -0.006 0.000 0.288 11 V C 0.335 176.331 176.094 -0.164 0.000 1.016 11 V CA -0.323 61.909 62.300 -0.114 0.000 0.840 11 V CB 1.780 33.630 31.823 0.044 0.000 0.994 11 V HN 1.001 nan 8.190 nan 0.000 0.431 12 T N 0.293 114.778 114.554 -0.115 0.000 2.927 12 T HA 0.289 4.635 4.350 -0.006 0.000 0.286 12 T C 1.197 175.871 174.700 -0.045 0.000 1.040 12 T CA 0.090 62.134 62.100 -0.093 0.000 1.010 12 T CB 1.674 70.514 68.868 -0.046 0.000 1.177 12 T HN 0.421 nan 8.240 nan 0.000 0.546 13 T N 1.062 115.597 114.554 -0.030 0.000 2.721 13 T HA -0.162 4.184 4.350 -0.006 0.000 0.268 13 T C 1.888 176.584 174.700 -0.006 0.000 1.038 13 T CA 2.049 64.139 62.100 -0.015 0.000 1.145 13 T CB -0.413 68.449 68.868 -0.010 0.000 0.858 13 T HN 0.782 nan 8.240 nan 0.000 0.459 14 R N 1.173 121.673 120.500 -0.001 0.000 2.307 14 R HA 0.400 4.736 4.340 -0.006 0.000 0.199 14 R C 1.050 177.350 176.300 0.001 0.000 1.000 14 R CA 0.409 56.514 56.100 0.007 0.000 1.023 14 R CB 0.043 30.354 30.300 0.018 0.000 0.908 14 R HN 0.381 nan 8.270 nan 0.000 0.473 15 G N 0.872 109.664 108.800 -0.012 0.000 2.351 15 G HA2 0.031 3.987 3.960 -0.006 0.000 0.353 15 G HA3 0.031 3.987 3.960 -0.006 0.000 0.353 15 G C -3.243 171.627 174.900 -0.051 0.000 1.358 15 G CA -1.105 43.981 45.100 -0.023 0.000 0.995 15 G HN -0.003 nan 8.290 nan 0.000 0.611 16 P HA 0.551 nan 4.420 nan 0.000 0.288 16 P C -0.667 176.442 177.300 -0.317 0.000 1.267 16 P CA -0.390 62.603 63.100 -0.179 0.000 0.815 16 P CB 1.938 33.547 31.700 -0.152 0.000 0.989 17 S N 2.232 117.718 115.700 -0.358 0.000 2.594 17 S HA 0.406 4.872 4.470 -0.006 0.000 0.296 17 S C -0.844 173.555 174.600 -0.335 0.000 1.124 17 S CA -0.637 57.382 58.200 -0.303 0.000 1.011 17 S CB 0.220 63.441 63.200 0.035 0.000 1.016 17 S HN 0.351 nan 8.310 nan 0.000 0.485 18 H N 3.066 122.074 119.070 -0.104 0.000 2.458 18 H HA 0.455 5.007 4.556 -0.007 0.000 0.330 18 H C -1.115 174.034 175.328 -0.299 0.000 1.111 18 H CA -0.311 55.690 56.048 -0.078 0.000 1.245 18 H CB 0.857 30.569 29.762 -0.084 0.000 1.456 18 H HN 0.601 nan 8.280 nan 0.000 0.488 19 W N 1.773 123.151 121.300 0.130 0.000 3.031 19 W HA 0.363 5.019 4.660 -0.007 0.000 0.337 19 W C -0.858 175.754 176.519 0.156 0.000 1.187 19 W CA -0.807 56.617 57.345 0.132 0.000 1.166 19 W CB 1.521 31.062 29.460 0.135 0.000 1.437 19 W HN 0.322 nan 8.180 nan 0.000 0.551 20 L N 3.892 125.347 121.223 0.387 0.000 2.298 20 L HA 0.629 4.965 4.340 -0.006 0.000 0.284 20 L C -1.153 175.873 176.870 0.259 0.000 1.013 20 L CA -0.829 54.167 54.840 0.261 0.000 0.824 20 L CB 0.662 42.797 42.059 0.126 0.000 1.221 20 L HN 0.378 nan 8.230 nan 0.000 0.418 21 L N 6.256 127.611 121.223 0.220 0.000 2.264 21 L HA 0.528 4.864 4.340 -0.006 0.000 0.289 21 L C -1.316 175.542 176.870 -0.019 0.000 1.044 21 L CA 0.014 54.834 54.840 -0.032 0.000 0.807 21 L CB 0.858 42.948 42.059 0.053 0.000 1.192 21 L HN 0.595 nan 8.230 nan 0.000 0.425 22 L N 6.958 128.091 121.223 -0.150 0.000 2.276 22 L HA 0.459 4.795 4.340 -0.006 0.000 0.286 22 L C -0.541 176.284 176.870 -0.076 0.000 1.024 22 L CA -0.333 54.474 54.840 -0.056 0.000 0.826 22 L CB 1.105 43.142 42.059 -0.037 0.000 1.211 22 L HN 0.609 nan 8.230 nan 0.000 0.422 23 L N 2.986 124.207 121.223 -0.003 0.000 2.334 23 L HA 0.375 4.711 4.340 -0.006 0.000 0.272 23 L C 0.437 177.312 176.870 0.008 0.000 1.020 23 L CA -0.544 54.286 54.840 -0.016 0.000 0.812 23 L CB 2.037 44.097 42.059 0.002 0.000 1.264 23 L HN 0.590 nan 8.230 nan 0.000 0.439 24 D N -0.678 119.716 120.400 -0.011 0.000 2.463 24 D HA 0.084 4.720 4.640 -0.006 0.000 0.224 24 D C -0.446 175.802 176.300 -0.088 0.000 1.174 24 D CA -0.095 53.896 54.000 -0.015 0.000 0.829 24 D CB 0.465 41.231 40.800 -0.057 0.000 0.993 24 D HN 0.352 nan 8.370 nan 0.000 0.497 25 T N 0.062 114.571 114.554 -0.075 0.000 2.971 25 T HA 0.166 4.512 4.350 -0.006 0.000 0.304 25 T C -0.635 174.019 174.700 -0.077 0.000 1.038 25 T CA -0.678 61.361 62.100 -0.103 0.000 1.007 25 T CB 1.493 70.323 68.868 -0.062 0.000 1.055 25 T HN 0.083 nan 8.240 nan 0.000 0.451 26 H N 3.474 122.597 119.070 0.089 0.000 3.082 26 H HA 0.160 4.713 4.556 -0.005 0.000 0.275 26 H C 0.254 175.607 175.328 0.041 0.000 1.032 26 H CA -0.025 56.063 56.048 0.066 0.000 1.477 26 H CB 0.347 30.141 29.762 0.054 0.000 1.520 26 H HN 0.421 nan 8.280 nan 0.000 0.521 27 L N 2.849 124.159 121.223 0.144 0.000 3.218 27 L HA 0.180 4.516 4.340 -0.006 0.000 0.279 27 L C 1.547 178.470 176.870 0.089 0.000 1.287 27 L CA -0.118 54.763 54.840 0.067 0.000 1.024 27 L CB 0.390 42.427 42.059 -0.036 0.000 1.409 27 L HN 0.863 nan 8.230 nan 0.000 0.580 28 G N 1.595 110.471 108.800 0.126 0.000 2.672 28 G HA2 -0.366 3.590 3.960 -0.006 0.000 0.324 28 G HA3 -0.366 3.590 3.960 -0.006 0.000 0.324 28 G C 0.258 175.253 174.900 0.158 0.000 1.286 28 G CA 0.650 45.817 45.100 0.112 0.000 1.004 28 G HN 0.385 nan 8.290 nan 0.000 0.548 29 T N -0.460 114.167 114.554 0.121 0.000 2.895 29 T HA 0.695 5.041 4.350 -0.006 0.000 0.283 29 T C 0.110 174.843 174.700 0.055 0.000 1.014 29 T CA -0.759 61.422 62.100 0.136 0.000 1.037 29 T CB 1.945 70.885 68.868 0.119 0.000 1.006 29 T HN 0.691 nan 8.240 nan 0.000 0.468 30 L N 3.459 124.666 121.223 -0.026 0.000 2.289 30 L HA 0.440 4.777 4.340 -0.006 0.000 0.285 30 L C -2.007 174.901 176.870 0.063 0.000 1.049 30 L CA -2.431 52.308 54.840 -0.168 0.000 0.804 30 L CB 0.970 42.555 42.059 -0.791 0.000 1.195 30 L HN 0.446 nan 8.230 nan 0.000 0.428 31 P HA 0.042 nan 4.420 nan 0.000 0.267 31 P C 0.105 177.472 177.300 0.111 0.000 1.205 31 P CA -0.100 63.031 63.100 0.051 0.000 0.765 31 P CB 0.750 32.511 31.700 0.101 0.000 0.828 32 G N 2.781 111.432 108.800 -0.248 0.000 2.636 32 G HA2 0.443 4.399 3.960 -0.006 0.000 0.246 32 G HA3 0.443 4.399 3.960 -0.006 0.000 0.246 32 G C -0.665 173.569 174.900 -1.111 0.000 1.216 32 G CA -0.397 44.303 45.100 -0.667 0.000 0.854 32 G HN 0.561 nan 8.290 nan 0.000 0.572 33 F N -1.513 117.873 119.950 -0.940 0.000 2.626 33 F HA 0.734 5.257 4.527 -0.007 0.000 0.311 33 F C -0.412 175.291 175.800 -0.162 0.000 1.088 33 F CA -1.648 56.016 58.000 -0.561 0.000 0.949 33 F CB 1.700 40.434 39.000 -0.444 0.000 1.322 33 F HN 0.604 nan 8.300 nan 0.000 0.461 34 K N 1.777 122.335 120.400 0.262 0.000 2.207 34 K HA 0.750 5.066 4.320 -0.006 0.000 0.255 34 K C -1.064 175.659 176.600 0.206 0.000 0.941 34 K CA -1.000 55.359 56.287 0.120 0.000 0.825 34 K CB 2.471 35.028 32.500 0.094 0.000 1.119 34 K HN 0.831 nan 8.250 nan 0.000 0.430 35 V N -0.748 119.235 119.914 0.116 0.000 2.472 35 V HA 0.350 4.466 4.120 -0.006 0.000 0.290 35 V C 0.393 176.609 176.094 0.203 0.000 1.037 35 V CA -0.731 61.708 62.300 0.232 0.000 0.908 35 V CB 1.316 33.311 31.823 0.287 0.000 0.985 35 V HN 0.939 nan 8.190 nan 0.000 0.454 36 S N 4.324 120.202 115.700 0.297 0.000 2.580 36 S HA 0.539 5.005 4.470 -0.006 0.000 0.266 36 S C 0.787 175.573 174.600 0.310 0.000 1.354 36 S CA 0.057 58.427 58.200 0.284 0.000 1.008 36 S CB 0.530 63.926 63.200 0.327 0.000 0.898 36 S HN 2.250 nan 8.310 nan 0.000 0.555 37 A N 2.398 125.359 122.820 0.236 0.000 2.598 37 A HA 0.447 4.763 4.320 -0.006 0.000 0.239 37 A C 0.867 178.617 177.584 0.277 0.000 1.032 37 A CA 0.455 52.616 52.037 0.206 0.000 0.760 37 A CB -0.974 18.117 19.000 0.153 0.000 0.946 37 A HN 1.178 nan 8.150 nan 0.000 0.512 38 G N 1.195 110.076 108.800 0.135 0.000 2.488 38 G HA2 0.508 4.465 3.960 -0.006 0.000 0.318 38 G HA3 0.508 4.465 3.960 -0.006 0.000 0.318 38 G C -0.172 174.622 174.900 -0.176 0.000 1.188 38 G CA -1.001 44.082 45.100 -0.029 0.000 0.944 38 G HN 0.704 nan 8.290 nan 0.000 0.495 39 R N 0.402 120.629 120.500 -0.455 0.000 3.641 39 R HA 0.360 4.696 4.340 -0.006 0.000 0.189 39 R C 1.423 177.592 176.300 -0.218 0.000 1.706 39 R CA 0.605 56.483 56.100 -0.370 0.000 1.311 39 R CB -0.282 29.713 30.300 -0.508 0.000 1.330 39 R HN 1.069 nan 8.270 nan 0.000 0.727 40 G N 0.067 108.788 108.800 -0.132 0.000 2.189 40 G HA2 -0.326 3.630 3.960 -0.006 0.000 0.267 40 G HA3 -0.326 3.630 3.960 -0.006 0.000 0.267 40 G C -0.084 174.750 174.900 -0.110 0.000 0.975 40 G CA 0.719 45.759 45.100 -0.100 0.000 0.644 40 G HN 0.420 nan 8.290 nan 0.000 0.537 41 L N -1.753 119.392 121.223 -0.131 0.000 2.330 41 L HA 0.949 5.285 4.340 -0.006 0.000 0.271 41 L C -1.822 175.071 176.870 0.039 0.000 1.013 41 L CA -3.134 51.639 54.840 -0.113 0.000 0.816 41 L CB 0.665 42.517 42.059 -0.346 0.000 1.287 41 L HN -0.086 nan 8.230 nan 0.000 0.435 42 P HA 0.219 nan 4.420 nan 0.000 0.274 42 P C -0.735 176.689 177.300 0.208 0.000 1.260 42 P CA -0.418 62.762 63.100 0.132 0.000 0.793 42 P CB 0.417 32.175 31.700 0.097 0.000 1.048 43 A N 0.001 122.885 122.820 0.107 0.000 2.445 43 A HA 0.523 4.840 4.320 -0.006 0.000 0.242 43 A C 0.239 177.786 177.584 -0.062 0.000 1.075 43 A CA 0.437 52.514 52.037 0.067 0.000 0.777 43 A CB -0.735 18.293 19.000 0.046 0.000 1.013 43 A HN 0.729 nan 8.150 nan 0.000 0.493 44 A N 1.840 124.536 122.820 -0.206 0.000 2.602 44 A HA 0.749 5.065 4.320 -0.006 0.000 0.290 44 A C -1.217 176.130 177.584 -0.395 0.000 1.114 44 A CA -0.707 51.061 52.037 -0.448 0.000 0.683 44 A CB 1.140 19.463 19.000 -1.129 0.000 1.281 44 A HN 0.737 nan 8.150 nan 0.000 0.416 45 E N -0.222 119.716 120.200 -0.437 0.000 2.234 45 E HA 0.568 4.914 4.350 -0.006 0.000 0.266 45 E C -1.289 174.874 176.600 -0.729 0.000 0.877 45 E CA -0.526 55.577 56.400 -0.495 0.000 0.758 45 E CB 2.187 31.633 29.700 -0.423 0.000 1.170 45 E HN 0.385 nan 8.360 nan 0.000 0.415 46 V N 3.714 123.046 119.914 -0.971 0.000 2.417 46 V HA 0.436 4.552 4.120 -0.006 0.000 0.291 46 V C -1.053 174.357 176.094 -1.140 0.000 1.024 46 V CA -0.804 60.837 62.300 -1.098 0.000 0.861 46 V CB 0.290 31.234 31.823 -1.465 0.000 0.985 46 V HN 0.592 nan 8.190 nan 0.000 0.436 47 Y N 3.904 123.831 120.300 -0.622 0.000 2.468 47 Y HA 0.773 5.319 4.550 -0.007 0.000 0.342 47 Y C -0.389 175.140 175.900 -0.618 0.000 1.021 47 Y CA -0.902 56.938 58.100 -0.433 0.000 1.079 47 Y CB 1.755 40.129 38.460 -0.144 0.000 1.226 47 Y HN 0.493 nan 8.280 nan 0.000 0.460 48 F N 0.499 120.523 119.950 0.125 0.000 2.577 48 F HA 0.559 5.083 4.527 -0.005 0.000 0.318 48 F C -0.673 175.209 175.800 0.137 0.000 1.065 48 F CA -1.194 56.882 58.000 0.126 0.000 0.929 48 F CB 2.233 41.287 39.000 0.090 0.000 1.237 48 F HN 0.454 nan 8.300 nan 0.000 0.468 49 E N 0.942 121.354 120.200 0.354 0.000 2.334 49 E HA 0.628 4.974 4.350 -0.006 0.000 0.280 49 E C -1.423 175.293 176.600 0.194 0.000 0.899 49 E CA -1.139 55.398 56.400 0.228 0.000 0.813 49 E CB 1.445 31.214 29.700 0.116 0.000 1.318 49 E HN 0.765 nan 8.360 nan 0.000 0.399 50 A N 2.891 125.810 122.820 0.167 0.000 2.609 50 A HA 0.401 4.718 4.320 -0.006 0.000 0.232 50 A C 0.619 178.157 177.584 -0.077 0.000 1.041 50 A CA 1.093 53.088 52.037 -0.070 0.000 0.753 50 A CB 0.241 19.204 19.000 -0.063 0.000 0.966 50 A HN 0.835 nan 8.150 nan 0.000 0.510 51 G N 1.424 110.133 108.800 -0.152 0.000 3.211 51 G HA2 0.710 4.666 3.960 -0.006 0.000 0.167 51 G HA3 0.710 4.666 3.960 -0.006 0.000 0.167 51 G C -1.872 172.977 174.900 -0.086 0.000 1.212 51 G CA -0.229 44.822 45.100 -0.081 0.000 0.928 51 G HN 0.708 nan 8.290 nan 0.000 0.607 52 P HA 0.286 nan 4.420 nan 0.000 0.317 52 P C -0.758 176.505 177.300 -0.063 0.000 1.316 52 P CA -0.238 62.830 63.100 -0.054 0.000 0.744 52 P CB 0.577 32.252 31.700 -0.041 0.000 1.521 53 R N -0.519 119.952 120.500 -0.048 0.000 2.782 53 R HA 0.330 4.666 4.340 -0.006 0.000 0.293 53 R C -0.334 175.941 176.300 -0.041 0.000 1.333 53 R CA -0.633 55.438 56.100 -0.048 0.000 1.479 53 R CB 0.441 30.715 30.300 -0.043 0.000 1.306 53 R HN 0.192 nan 8.270 nan 0.000 0.654 54 V N 2.344 122.238 119.914 -0.034 0.000 2.742 54 V HA -0.108 4.008 4.120 -0.006 0.000 0.302 54 V C 0.244 176.329 176.094 -0.015 0.000 1.133 54 V CA 0.899 63.186 62.300 -0.022 0.000 1.284 54 V CB 0.573 32.387 31.823 -0.015 0.000 0.850 54 V HN 0.685 nan 8.190 nan 0.000 0.494 55 S N 7.836 123.530 115.700 -0.011 0.000 2.473 55 S HA 0.761 5.227 4.470 -0.006 0.000 0.307 55 S C -1.029 173.574 174.600 0.005 0.000 1.094 55 S CA -0.931 57.267 58.200 -0.003 0.000 1.070 55 S CB 1.468 64.664 63.200 -0.007 0.000 1.019 55 S HN 0.773 nan 8.310 nan 0.000 0.480 56 L N 3.459 124.690 121.223 0.014 0.000 2.365 56 L HA 0.566 4.902 4.340 -0.006 0.000 0.273 56 L C 0.579 177.462 176.870 0.021 0.000 1.000 56 L CA -0.827 54.024 54.840 0.017 0.000 0.819 56 L CB 2.349 44.423 42.059 0.024 0.000 1.284 56 L HN 0.929 nan 8.230 nan 0.000 0.418 57 S N 1.809 117.520 115.700 0.018 0.000 2.600 57 S HA 0.164 4.631 4.470 -0.006 0.000 0.265 57 S C 1.087 175.702 174.600 0.025 0.000 1.325 57 S CA -0.366 57.846 58.200 0.020 0.000 1.002 57 S CB 1.128 64.338 63.200 0.016 0.000 0.921 57 S HN 0.778 nan 8.310 nan 0.000 0.554 58 R N 0.556 121.071 120.500 0.025 0.000 2.139 58 R HA -0.120 4.216 4.340 -0.006 0.000 0.243 58 R C 1.714 178.032 176.300 0.030 0.000 1.145 58 R CA 2.150 58.267 56.100 0.028 0.000 0.976 58 R CB -1.057 29.258 30.300 0.025 0.000 0.866 58 R HN 0.853 nan 8.270 nan 0.000 0.449 59 T N 0.418 114.988 114.554 0.027 0.000 2.894 59 T HA -0.036 4.310 4.350 -0.006 0.000 0.258 59 T C 1.043 175.763 174.700 0.033 0.000 1.043 59 T CA 1.025 63.142 62.100 0.030 0.000 1.141 59 T CB -0.223 68.660 68.868 0.025 0.000 0.873 59 T HN 0.263 nan 8.240 nan 0.000 0.449 60 D N 1.912 122.330 120.400 0.029 0.000 2.133 60 D HA -0.069 4.567 4.640 -0.006 0.000 0.195 60 D C 2.313 178.638 176.300 0.041 0.000 0.997 60 D CA 1.376 55.394 54.000 0.030 0.000 0.840 60 D CB -0.461 40.352 40.800 0.021 0.000 0.947 60 D HN 0.420 nan 8.370 nan 0.000 0.452 61 A N 0.241 123.087 122.820 0.043 0.000 1.969 61 A HA -0.131 4.185 4.320 -0.006 0.000 0.218 61 A C 2.269 179.892 177.584 0.066 0.000 1.169 61 A CA 2.275 54.343 52.037 0.053 0.000 0.635 61 A CB -0.747 18.282 19.000 0.048 0.000 0.810 61 A HN 0.396 nan 8.150 nan 0.000 0.445 62 T N -2.694 111.897 114.554 0.061 0.000 3.067 62 T HA 0.156 4.502 4.350 -0.006 0.000 0.257 62 T C 1.672 176.420 174.700 0.080 0.000 1.105 62 T CA 0.870 63.011 62.100 0.068 0.000 1.104 62 T CB -0.426 68.475 68.868 0.055 0.000 0.925 62 T HN 0.323 nan 8.240 nan 0.000 0.498 63 I N 0.930 121.546 120.570 0.076 0.000 2.353 63 I HA -0.069 4.097 4.170 -0.006 0.000 0.248 63 I C 2.607 178.797 176.117 0.122 0.000 1.119 63 I CA 0.567 61.920 61.300 0.088 0.000 1.417 63 I CB -0.311 37.728 38.000 0.065 0.000 1.078 63 I HN 0.103 nan 8.210 nan 0.000 0.421 64 V N 1.207 121.188 119.914 0.112 0.000 2.332 64 V HA -0.337 3.779 4.120 -0.006 0.000 0.248 64 V C 2.707 178.921 176.094 0.200 0.000 1.055 64 V CA 2.165 64.552 62.300 0.145 0.000 1.038 64 V CB -0.943 30.947 31.823 0.111 0.000 0.651 64 V HN 0.519 nan 8.190 nan 0.000 0.450 65 A N -0.612 122.305 122.820 0.162 0.000 2.015 65 A HA -0.115 4.201 4.320 -0.006 0.000 0.219 65 A C 2.336 180.019 177.584 0.164 0.000 1.163 65 A CA 1.793 53.930 52.037 0.167 0.000 0.646 65 A CB -0.471 18.604 19.000 0.126 0.000 0.806 65 A HN 0.364 nan 8.150 nan 0.000 0.448 66 V N -1.641 118.367 119.914 0.156 0.000 2.244 66 V HA -0.266 3.850 4.120 -0.006 0.000 0.244 66 V C 2.296 178.494 176.094 0.173 0.000 1.042 66 V CA 1.994 64.379 62.300 0.142 0.000 1.006 66 V CB -1.113 30.789 31.823 0.132 0.000 0.641 66 V HN 0.688 nan 8.190 nan 0.000 0.446 67 Y N 0.755 121.124 120.300 0.115 0.000 2.241 67 Y HA -0.317 4.229 4.550 -0.007 0.000 0.286 67 Y C 2.654 178.639 175.900 0.142 0.000 1.166 67 Y CA 2.007 60.195 58.100 0.146 0.000 1.203 67 Y CB -0.187 38.367 38.460 0.157 0.000 0.977 67 Y HN 0.232 nan 8.280 nan 0.000 0.529 68 Q N 0.182 120.121 119.800 0.232 0.000 1.985 68 Q HA -0.228 4.109 4.340 -0.006 0.000 0.207 68 Q C 2.725 178.667 176.000 -0.097 0.000 0.996 68 Q CA 2.620 58.485 55.803 0.104 0.000 0.851 68 Q CB -0.995 27.890 28.738 0.245 0.000 0.921 68 Q HN 0.609 nan 8.270 nan 0.000 0.418 69 S N -0.061 115.692 115.700 0.088 0.000 2.400 69 S HA -0.136 4.330 4.470 -0.006 0.000 0.232 69 S C 1.911 176.454 174.600 -0.095 0.000 1.025 69 S CA 1.194 59.458 58.200 0.107 0.000 0.993 69 S CB -0.522 62.722 63.200 0.073 0.000 0.808 69 S HN 0.310 nan 8.310 nan 0.000 0.478 70 I N 1.976 122.446 120.570 -0.167 0.000 2.264 70 I HA -0.151 4.015 4.170 -0.006 0.000 0.248 70 I C 2.464 178.351 176.117 -0.383 0.000 1.111 70 I CA 1.226 62.362 61.300 -0.274 0.000 1.382 70 I CB -1.216 36.626 38.000 -0.263 0.000 1.060 70 I HN 0.356 nan 8.210 nan 0.000 0.418 71 L N -0.389 120.596 121.223 -0.396 0.000 2.027 71 L HA -0.177 4.159 4.340 -0.006 0.000 0.206 71 L C 2.664 179.325 176.870 -0.349 0.000 1.074 71 L CA 1.410 56.042 54.840 -0.345 0.000 0.745 71 L CB -0.771 41.151 42.059 -0.229 0.000 0.898 71 L HN 0.048 nan 8.230 nan 0.000 0.433 72 F N 0.112 119.890 119.950 -0.287 0.000 2.126 72 F HA -0.308 4.215 4.527 -0.007 0.000 0.299 72 F C 2.882 178.468 175.800 -0.356 0.000 1.096 72 F CA 1.391 59.172 58.000 -0.365 0.000 1.255 72 F CB -0.204 38.570 39.000 -0.376 0.000 0.997 72 F HN 0.146 nan 8.300 nan 0.000 0.479 73 Q N 0.657 120.306 119.800 -0.252 0.000 2.084 73 Q HA -0.187 4.149 4.340 -0.006 0.000 0.202 73 Q C 2.186 177.844 176.000 -0.570 0.000 0.978 73 Q CA 1.367 56.833 55.803 -0.561 0.000 0.844 73 Q CB -0.187 28.046 28.738 -0.841 0.000 0.898 73 Q HN 0.458 nan 8.270 nan 0.000 0.426 74 L N 0.216 121.183 121.223 -0.426 0.000 2.131 74 L HA -0.179 4.157 4.340 -0.006 0.000 0.210 74 L C 2.217 179.012 176.870 -0.126 0.000 1.092 74 L CA 0.620 55.315 54.840 -0.242 0.000 0.759 74 L CB -0.261 41.626 42.059 -0.286 0.000 0.903 74 L HN 0.333 nan 8.230 nan 0.000 0.435 75 L N -0.509 120.628 121.223 -0.143 0.000 2.265 75 L HA -0.033 4.303 4.340 -0.006 0.000 0.215 75 L C 1.129 178.074 176.870 0.125 0.000 1.117 75 L CA 0.668 55.459 54.840 -0.083 0.000 0.782 75 L CB -0.585 41.353 42.059 -0.202 0.000 0.914 75 L HN 0.494 nan 8.230 nan 0.000 0.441 76 G N -1.032 107.806 108.800 0.064 0.000 2.592 76 G HA2 -0.148 3.808 3.960 -0.006 0.000 0.684 76 G HA3 -0.148 3.808 3.960 -0.006 0.000 0.684 76 G C -2.507 172.436 174.900 0.071 0.000 1.291 76 G CA -0.360 44.802 45.100 0.104 0.000 0.891 76 G HN -0.058 nan 8.290 nan 0.000 0.544 77 P HA 0.138 nan 4.420 nan 0.000 0.255 77 P C 1.516 178.776 177.300 -0.068 0.000 1.248 77 P CA 1.561 64.654 63.100 -0.013 0.000 0.807 77 P CB 0.155 31.862 31.700 0.012 0.000 1.150 78 T N -4.198 110.280 114.554 -0.127 0.000 3.100 78 T HA 0.142 4.488 4.350 -0.006 0.000 0.253 78 T C 0.192 174.594 174.700 -0.497 0.000 1.118 78 T CA 0.219 62.118 62.100 -0.336 0.000 1.058 78 T CB -0.610 67.958 68.868 -0.501 0.000 0.953 78 T HN -0.125 nan 8.240 nan 0.000 0.515 79 F N 2.771 122.664 119.950 -0.096 0.000 2.482 79 F HA 0.524 5.047 4.527 -0.007 0.000 0.331 79 F C -2.337 173.345 175.800 -0.198 0.000 1.115 79 F CA -2.924 55.007 58.000 -0.116 0.000 0.955 79 F CB 1.361 40.310 39.000 -0.085 0.000 1.136 79 F HN -0.162 nan 8.300 nan 0.000 0.452 80 P HA 0.161 nan 4.420 nan 0.000 0.271 80 P C -0.556 176.416 177.300 -0.546 0.000 1.218 80 P CA -0.386 62.574 63.100 -0.233 0.000 0.780 80 P CB 1.112 32.702 31.700 -0.184 0.000 0.901 81 A N 1.632 124.013 122.820 -0.731 0.000 3.029 81 A HA 0.346 4.662 4.320 -0.006 0.000 0.251 81 A C 0.539 177.209 177.584 -1.523 0.000 1.749 81 A CA 0.232 51.350 52.037 -1.530 0.000 1.386 81 A CB -1.274 17.201 19.000 -0.874 0.000 1.043 81 A HN 0.492 nan 8.150 nan 0.000 0.638 82 S N -1.315 113.646 115.700 -1.232 0.000 2.592 82 S HA 0.347 4.813 4.470 -0.006 0.000 0.275 82 S C -0.006 174.486 174.600 -0.180 0.000 1.169 82 S CA -0.663 57.224 58.200 -0.521 0.000 0.958 82 S CB 0.304 63.347 63.200 -0.261 0.000 1.095 82 S HN 0.507 nan 8.310 nan 0.000 0.471 83 W N 2.650 124.140 121.300 0.316 0.000 2.402 83 W HA -0.036 4.620 4.660 -0.006 0.000 0.286 83 W C 2.375 178.976 176.519 0.137 0.000 1.221 83 W CA 1.223 58.739 57.345 0.283 0.000 1.257 83 W CB -0.430 29.204 29.460 0.290 0.000 1.120 83 W HN 0.643 nan 8.180 nan 0.000 0.551 84 T N -0.042 114.687 114.554 0.292 0.000 2.674 84 T HA -0.264 4.082 4.350 -0.006 0.000 0.265 84 T C 1.497 176.224 174.700 0.045 0.000 1.039 84 T CA 1.600 63.791 62.100 0.152 0.000 1.150 84 T CB -0.425 68.493 68.868 0.082 0.000 0.864 84 T HN 0.213 nan 8.240 nan 0.000 0.427 85 E N 0.213 120.403 120.200 -0.017 0.000 2.265 85 E HA -0.067 4.279 4.350 -0.006 0.000 0.196 85 E C 2.067 178.665 176.600 -0.003 0.000 0.996 85 E CA 0.514 56.871 56.400 -0.071 0.000 0.832 85 E CB -0.169 29.462 29.700 -0.116 0.000 0.756 85 E HN 0.505 nan 8.360 nan 0.000 0.491 86 I N -0.058 120.559 120.570 0.078 0.000 2.202 86 I HA -0.169 3.997 4.170 -0.006 0.000 0.242 86 I C 2.428 178.626 176.117 0.134 0.000 1.091 86 I CA 1.230 62.619 61.300 0.147 0.000 1.368 86 I CB -0.253 37.907 38.000 0.268 0.000 1.058 86 I HN 0.148 nan 8.210 nan 0.000 0.410 87 G N -0.002 108.879 108.800 0.136 0.000 2.394 87 G HA2 -0.146 3.810 3.960 -0.006 0.000 0.215 87 G HA3 -0.146 3.810 3.960 -0.006 0.000 0.215 87 G C 1.733 176.693 174.900 0.101 0.000 1.165 87 G CA 0.599 45.758 45.100 0.098 0.000 0.784 87 G HN 0.463 nan 8.290 nan 0.000 0.535 88 A N 0.462 123.318 122.820 0.059 0.000 2.216 88 A HA 0.184 4.500 4.320 -0.006 0.000 0.214 88 A C 2.055 179.661 177.584 0.037 0.000 1.160 88 A CA 1.988 54.021 52.037 -0.007 0.000 0.725 88 A CB -0.461 18.319 19.000 -0.365 0.000 0.784 88 A HN 0.547 nan 8.150 nan 0.000 0.472 89 T N -3.396 111.194 114.554 0.060 0.000 3.296 89 T HA 0.539 4.885 4.350 -0.006 0.000 0.285 89 T C 0.213 174.986 174.700 0.122 0.000 1.014 89 T CA -0.435 61.712 62.100 0.078 0.000 0.920 89 T CB -0.641 68.245 68.868 0.029 0.000 1.143 89 T HN 0.223 nan 8.240 nan 0.000 0.522 90 M N 3.549 123.244 119.600 0.159 0.000 2.249 90 M HA 0.277 4.754 4.480 -0.006 0.000 0.340 90 M C -1.947 174.517 176.300 0.273 0.000 1.166 90 M CA -1.627 53.770 55.300 0.162 0.000 1.115 90 M CB 0.184 32.804 32.600 0.034 0.000 1.606 90 M HN 0.085 nan 8.290 nan 0.000 0.448 91 P HA -0.034 nan 4.420 nan 0.000 0.268 91 P C -0.160 177.385 177.300 0.408 0.000 1.205 91 P CA 0.325 63.583 63.100 0.262 0.000 0.771 91 P CB 0.291 32.094 31.700 0.172 0.000 0.858 92 H N 1.741 120.926 119.070 0.192 0.000 2.422 92 H HA -0.127 4.426 4.556 -0.006 0.000 0.298 92 H C 1.595 177.074 175.328 0.251 0.000 1.098 92 H CA 1.216 57.380 56.048 0.195 0.000 1.315 92 H CB 0.055 29.838 29.762 0.035 0.000 1.382 92 H HN 0.565 nan 8.280 nan 0.000 0.523 93 N N 1.354 120.228 118.700 0.290 0.000 2.501 93 N HA -0.094 4.642 4.740 -0.006 0.000 0.195 93 N C 0.728 176.334 175.510 0.160 0.000 1.213 93 N CA 0.463 53.621 53.050 0.181 0.000 0.864 93 N CB 0.019 38.570 38.487 0.106 0.000 0.999 93 N HN 0.511 nan 8.380 nan 0.000 0.454 94 E N -0.554 119.775 120.200 0.215 0.000 2.481 94 E HA 0.074 4.421 4.350 -0.006 0.000 0.198 94 E C -0.553 176.062 176.600 0.024 0.000 1.027 94 E CA -0.244 56.220 56.400 0.107 0.000 0.900 94 E CB 0.273 30.026 29.700 0.087 0.000 0.993 94 E HN 0.321 nan 8.360 nan 0.000 0.482 95 Y N 0.189 120.517 120.300 0.047 0.000 2.316 95 Y HA 0.035 4.581 4.550 -0.007 0.000 0.324 95 Y C 1.917 177.825 175.900 0.014 0.000 1.267 95 Y CA 0.174 58.300 58.100 0.043 0.000 1.311 95 Y CB 1.008 39.504 38.460 0.061 0.000 1.267 95 Y HN -0.192 nan 8.280 nan 0.000 0.516 96 T N 1.289 115.949 114.554 0.176 0.000 2.867 96 T HA -0.095 4.251 4.350 -0.006 0.000 0.268 96 T C -0.056 174.438 174.700 -0.342 0.000 1.057 96 T CA 1.323 63.378 62.100 -0.075 0.000 1.136 96 T CB -0.310 68.574 68.868 0.027 0.000 0.874 96 T HN 0.301 nan 8.240 nan 0.000 0.466 97 F N 1.400 121.469 119.950 0.198 0.000 2.550 97 F HA 0.331 4.855 4.527 -0.005 0.000 0.348 97 F C -1.806 174.075 175.800 0.135 0.000 1.219 97 F CA -2.579 55.532 58.000 0.185 0.000 1.203 97 F CB 1.580 40.722 39.000 0.236 0.000 1.436 97 F HN -0.084 nan 8.300 nan 0.000 0.541 98 P HA -0.180 nan 4.420 nan 0.000 0.219 98 P C 1.155 178.464 177.300 0.014 0.000 1.146 98 P CA 1.383 64.544 63.100 0.102 0.000 0.808 98 P CB 0.233 31.989 31.700 0.092 0.000 0.779 99 R N -1.760 118.718 120.500 -0.036 0.000 2.275 99 R HA 0.118 4.454 4.340 -0.006 0.000 0.199 99 R C 0.248 176.170 176.300 -0.630 0.000 0.989 99 R CA 0.482 56.372 56.100 -0.351 0.000 1.016 99 R CB -0.146 29.846 30.300 -0.512 0.000 0.918 99 R HN 0.215 nan 8.270 nan 0.000 0.473 100 F N 0.916 120.887 119.950 0.035 0.000 2.622 100 F HA 0.334 4.858 4.527 -0.005 0.000 0.338 100 F C -0.472 175.273 175.800 -0.092 0.000 1.334 100 F CA -0.948 57.037 58.000 -0.026 0.000 1.179 100 F CB 0.798 39.768 39.000 -0.049 0.000 1.471 100 F HN -0.230 nan 8.300 nan 0.000 0.576 101 I N 1.371 121.894 120.570 -0.078 0.000 2.352 101 I HA 0.261 4.427 4.170 -0.006 0.000 0.290 101 I C 0.299 176.330 176.117 -0.142 0.000 1.036 101 I CA -0.039 61.095 61.300 -0.276 0.000 1.336 101 I CB 0.866 38.508 38.000 -0.598 0.000 1.407 101 I HN 0.225 nan 8.210 nan 0.000 0.497 102 S N 6.077 121.714 115.700 -0.106 0.000 2.473 102 S HA 0.390 4.856 4.470 -0.006 0.000 0.307 102 S C 0.016 174.584 174.600 -0.053 0.000 1.094 102 S CA -0.839 57.328 58.200 -0.056 0.000 1.070 102 S CB 1.233 64.412 63.200 -0.036 0.000 1.019 102 S HN 0.458 nan 8.310 nan 0.000 0.480 103 N N 4.777 123.468 118.700 -0.015 0.000 2.448 103 N HA 0.211 4.947 4.740 -0.006 0.000 0.250 103 N C -2.357 173.116 175.510 -0.060 0.000 1.136 103 N CA -0.985 52.091 53.050 0.043 0.000 0.953 103 N CB 0.139 38.693 38.487 0.112 0.000 1.251 103 N HN 0.410 nan 8.380 nan 0.000 0.502 104 P HA 0.113 nan 4.420 nan 0.000 0.269 104 P C -1.635 175.463 177.300 -0.336 0.000 1.215 104 P CA -0.874 62.012 63.100 -0.357 0.000 0.780 104 P CB 0.591 31.957 31.700 -0.556 0.000 0.898 105 P HA -0.111 nan 4.420 nan 0.000 0.212 105 P C 0.463 177.702 177.300 -0.101 0.000 1.180 105 P CA 1.309 64.359 63.100 -0.084 0.000 0.906 105 P CB 0.100 31.769 31.700 -0.052 0.000 0.782 106 Q N -0.749 118.957 119.800 -0.156 0.000 2.340 106 Q HA 0.334 4.670 4.340 -0.006 0.000 0.249 106 Q C -0.789 175.027 176.000 -0.307 0.000 0.957 106 Q CA 0.075 55.811 55.803 -0.112 0.000 0.882 106 Q CB 0.404 29.092 28.738 -0.084 0.000 1.235 106 Q HN 0.101 nan 8.270 nan 0.000 0.439 107 F N 0.479 120.425 119.950 -0.007 0.000 2.507 107 F HA 0.380 4.904 4.527 -0.005 0.000 0.328 107 F C 0.140 175.936 175.800 -0.008 0.000 1.136 107 F CA -0.845 57.155 58.000 0.000 0.000 0.930 107 F CB 1.419 40.429 39.000 0.017 0.000 1.166 107 F HN 0.560 nan 8.300 nan 0.000 0.436 108 A N 2.370 125.258 122.820 0.114 0.000 2.565 108 A HA 0.375 4.691 4.320 -0.006 0.000 0.237 108 A C 0.158 177.798 177.584 0.094 0.000 1.053 108 A CA 0.147 52.215 52.037 0.052 0.000 0.755 108 A CB -0.263 18.733 19.000 -0.007 0.000 0.980 108 A HN 0.685 nan 8.150 nan 0.000 0.506 109 T N 3.696 118.286 114.554 0.060 0.000 2.767 109 T HA 0.552 4.899 4.350 -0.006 0.000 0.284 109 T C 0.026 174.749 174.700 0.039 0.000 0.973 109 T CA -0.212 61.937 62.100 0.082 0.000 0.996 109 T CB 0.395 69.303 68.868 0.068 0.000 0.927 109 T HN 0.560 nan 8.240 nan 0.000 0.456 110 L N 0.715 121.972 121.223 0.057 0.000 2.303 110 L HA 1.059 5.395 4.340 -0.006 0.000 0.266 110 L C -0.334 176.471 176.870 -0.108 0.000 1.011 110 L CA -1.507 53.254 54.840 -0.131 0.000 0.818 110 L CB 1.590 43.446 42.059 -0.339 0.000 1.326 110 L HN 0.686 nan 8.230 nan 0.000 0.435 111 A N 0.467 123.080 122.820 -0.345 0.000 2.572 111 A HA 0.865 5.181 4.320 -0.006 0.000 0.295 111 A C -1.677 175.611 177.584 -0.493 0.000 1.072 111 A CA -0.347 51.566 52.037 -0.207 0.000 0.691 111 A CB 1.369 20.393 19.000 0.039 0.000 1.291 111 A HN 0.509 nan 8.150 nan 0.000 0.404 112 F N 0.374 120.354 119.950 0.051 0.000 2.532 112 F HA 0.795 5.318 4.527 -0.006 0.000 0.321 112 F C -0.149 175.863 175.800 0.353 0.000 1.089 112 F CA -0.577 57.512 58.000 0.148 0.000 0.926 112 F CB 2.140 41.121 39.000 -0.031 0.000 1.168 112 F HN 0.422 nan 8.300 nan 0.000 0.459 113 L N 3.219 124.748 121.223 0.510 0.000 2.472 113 L HA 0.530 4.866 4.340 -0.006 0.000 0.260 113 L C -2.730 174.145 176.870 0.008 0.000 0.963 113 L CA -2.224 52.705 54.840 0.149 0.000 0.829 113 L CB 2.688 44.748 42.059 0.002 0.000 1.348 113 L HN 0.306 nan 8.230 nan 0.000 0.408 114 P HA 0.306 nan 4.420 nan 0.000 0.272 114 P C -1.245 175.869 177.300 -0.310 0.000 1.223 114 P CA -0.024 62.779 63.100 -0.496 0.000 0.784 114 P CB 0.585 31.987 31.700 -0.497 0.000 0.923 115 L N 2.250 123.293 121.223 -0.300 0.000 2.470 115 L HA 0.296 4.633 4.340 -0.006 0.000 0.268 115 L C 1.367 178.152 176.870 -0.141 0.000 0.964 115 L CA -0.631 54.110 54.840 -0.166 0.000 0.839 115 L CB 1.900 43.911 42.059 -0.081 0.000 1.276 115 L HN 0.312 nan 8.230 nan 0.000 0.403 116 L N 0.965 122.111 121.223 -0.129 0.000 1.994 116 L HA -0.090 4.246 4.340 -0.006 0.000 0.208 116 L C 1.044 177.877 176.870 -0.062 0.000 1.071 116 L CA 1.376 56.159 54.840 -0.095 0.000 0.745 116 L CB -0.317 41.686 42.059 -0.093 0.000 0.892 116 L HN 0.782 nan 8.230 nan 0.000 0.431 117 S N -2.601 113.010 115.700 -0.149 0.000 2.667 117 S HA 0.429 4.895 4.470 -0.006 0.000 0.292 117 S C -2.265 172.082 174.600 -0.423 0.000 1.126 117 S CA -1.231 56.782 58.200 -0.313 0.000 0.881 117 S CB 1.732 64.810 63.200 -0.202 0.000 1.132 117 S HN -0.155 nan 8.310 nan 0.000 0.492 118 P HA 0.064 nan 4.420 nan 0.000 0.242 118 P C 1.115 178.303 177.300 -0.186 0.000 1.197 118 P CA 0.846 63.723 63.100 -0.372 0.000 0.765 118 P CB -0.387 31.096 31.700 -0.362 0.000 0.936 119 T N -4.069 110.382 114.554 -0.173 0.000 3.023 119 T HA 0.050 4.397 4.350 -0.006 0.000 0.249 119 T C 1.095 175.740 174.700 -0.093 0.000 1.050 119 T CA 0.105 62.139 62.100 -0.110 0.000 1.088 119 T CB -0.864 67.946 68.868 -0.097 0.000 0.946 119 T HN 0.174 nan 8.240 nan 0.000 0.480 120 S N 3.804 119.440 115.700 -0.106 0.000 2.560 120 S HA 0.357 4.823 4.470 -0.006 0.000 0.284 120 S C -2.028 172.527 174.600 -0.076 0.000 1.327 120 S CA -1.124 57.024 58.200 -0.087 0.000 1.055 120 S CB 0.064 63.207 63.200 -0.095 0.000 0.868 120 S HN 0.372 nan 8.310 nan 0.000 0.506 121 P HA 0.247 nan 4.420 nan 0.000 0.274 121 P C -0.491 176.774 177.300 -0.059 0.000 1.256 121 P CA -0.854 62.213 63.100 -0.054 0.000 0.795 121 P CB 0.374 32.046 31.700 -0.046 0.000 1.038 122 L N 1.236 122.429 121.223 -0.050 0.000 2.418 122 L HA 0.246 4.583 4.340 -0.006 0.000 0.274 122 L C -0.099 176.737 176.870 -0.057 0.000 1.135 122 L CA 0.543 55.350 54.840 -0.055 0.000 0.870 122 L CB -0.668 41.367 42.059 -0.039 0.000 1.154 122 L HN 0.252 nan 8.230 nan 0.000 0.462 123 D N 4.702 125.057 120.400 -0.075 0.000 2.381 123 D HA 0.180 4.816 4.640 -0.006 0.000 0.235 123 D C 0.597 176.853 176.300 -0.073 0.000 1.068 123 D CA -0.252 53.706 54.000 -0.068 0.000 0.832 123 D CB 1.414 42.169 40.800 -0.075 0.000 1.101 123 D HN 0.683 nan 8.370 nan 0.000 0.515 124 L N 3.395 124.589 121.223 -0.049 0.000 2.249 124 L HA 0.146 4.482 4.340 -0.006 0.000 0.207 124 L C 2.546 179.400 176.870 -0.028 0.000 1.090 124 L CA 0.081 54.898 54.840 -0.038 0.000 0.802 124 L CB 0.024 42.072 42.059 -0.018 0.000 0.947 124 L HN 0.347 nan 8.230 nan 0.000 0.453 125 R N 0.395 120.880 120.500 -0.025 0.000 2.096 125 R HA -0.167 4.169 4.340 -0.006 0.000 0.235 125 R C 2.256 178.543 176.300 -0.022 0.000 1.127 125 R CA 1.332 57.423 56.100 -0.016 0.000 0.968 125 R CB -0.156 30.135 30.300 -0.014 0.000 0.861 125 R HN 0.339 nan 8.270 nan 0.000 0.440 126 A N 1.205 123.999 122.820 -0.044 0.000 1.908 126 A HA -0.172 4.144 4.320 -0.006 0.000 0.218 126 A C 2.183 179.732 177.584 -0.058 0.000 1.181 126 A CA 1.234 53.235 52.037 -0.060 0.000 0.627 126 A CB -0.548 18.396 19.000 -0.093 0.000 0.818 126 A HN 0.316 nan 8.150 nan 0.000 0.445 127 L N -1.332 119.848 121.223 -0.072 0.000 1.994 127 L HA -0.227 4.109 4.340 -0.006 0.000 0.208 127 L C 2.853 179.755 176.870 0.053 0.000 1.071 127 L CA 1.330 56.143 54.840 -0.045 0.000 0.745 127 L CB -0.532 41.483 42.059 -0.072 0.000 0.892 127 L HN 0.327 nan 8.230 nan 0.000 0.431 128 M N -0.615 119.008 119.600 0.038 0.000 2.106 128 M HA -0.188 4.288 4.480 -0.006 0.000 0.259 128 M C 2.350 178.684 176.300 0.057 0.000 1.068 128 M CA 1.504 56.837 55.300 0.055 0.000 1.100 128 M CB -1.211 31.411 32.600 0.037 0.000 1.351 128 M HN 0.089 nan 8.290 nan 0.000 0.404 129 V N 0.246 120.182 119.914 0.037 0.000 2.231 129 V HA -0.320 3.796 4.120 -0.006 0.000 0.248 129 V C 2.401 178.532 176.094 0.062 0.000 1.054 129 V CA 2.465 64.786 62.300 0.035 0.000 1.015 129 V CB -1.453 30.375 31.823 0.009 0.000 0.638 129 V HN 0.470 nan 8.190 nan 0.000 0.444 130 T N 0.743 115.342 114.554 0.074 0.000 2.624 130 T HA -0.283 4.063 4.350 -0.006 0.000 0.268 130 T C 2.010 176.827 174.700 0.194 0.000 1.041 130 T CA 1.955 64.137 62.100 0.135 0.000 1.159 130 T CB -0.666 68.312 68.868 0.183 0.000 0.863 130 T HN 0.602 nan 8.240 nan 0.000 0.434 131 A N 1.157 124.095 122.820 0.196 0.000 2.024 131 A HA -0.181 4.135 4.320 -0.006 0.000 0.220 131 A C 2.333 179.993 177.584 0.126 0.000 1.164 131 A CA 1.461 53.602 52.037 0.173 0.000 0.643 131 A CB -0.564 18.530 19.000 0.157 0.000 0.806 131 A HN 0.568 nan 8.150 nan 0.000 0.451 132 Q N -0.571 119.293 119.800 0.105 0.000 2.033 132 Q HA -0.012 4.324 4.340 -0.006 0.000 0.196 132 Q C 2.111 178.164 176.000 0.089 0.000 0.970 132 Q CA 1.243 57.096 55.803 0.083 0.000 0.828 132 Q CB -0.283 28.493 28.738 0.064 0.000 0.895 132 Q HN 0.701 nan 8.270 nan 0.000 0.440 133 L N 0.126 121.408 121.223 0.098 0.000 2.131 133 L HA -0.155 4.181 4.340 -0.006 0.000 0.210 133 L C 2.395 179.342 176.870 0.128 0.000 1.092 133 L CA 0.624 55.524 54.840 0.101 0.000 0.759 133 L CB -0.361 41.757 42.059 0.099 0.000 0.903 133 L HN 0.305 nan 8.230 nan 0.000 0.435 134 M N -1.492 118.205 119.600 0.161 0.000 2.492 134 M HA -0.140 4.336 4.480 -0.006 0.000 0.262 134 M C 2.093 178.469 176.300 0.127 0.000 1.090 134 M CA 0.988 56.389 55.300 0.168 0.000 1.110 134 M CB -0.930 31.787 32.600 0.195 0.000 1.407 134 M HN 0.393 nan 8.290 nan 0.000 0.470 135 C N -0.108 119.255 119.300 0.106 0.000 2.611 135 C HA 0.036 4.492 4.460 -0.006 0.000 0.282 135 C C 1.995 177.029 174.990 0.073 0.000 1.321 135 C CA 0.305 59.375 59.018 0.087 0.000 1.747 135 C CB -0.423 27.363 27.740 0.076 0.000 2.124 135 C HN 0.398 nan 8.230 nan 0.000 0.531 136 D N 1.227 121.669 120.400 0.071 0.000 2.289 136 D HA 0.138 4.774 4.640 -0.006 0.000 0.207 136 D C 1.068 177.401 176.300 0.054 0.000 0.966 136 D CA 0.510 54.543 54.000 0.056 0.000 0.868 136 D CB -0.091 40.739 40.800 0.051 0.000 0.943 136 D HN 0.503 nan 8.370 nan 0.000 0.514 137 A N 1.440 124.302 122.820 0.070 0.000 2.537 137 A HA 0.029 4.345 4.320 -0.006 0.000 0.260 137 A C 0.477 178.085 177.584 0.040 0.000 1.082 137 A CA 0.588 52.664 52.037 0.065 0.000 0.765 137 A CB -0.013 19.043 19.000 0.092 0.000 1.019 137 A HN -0.028 nan 8.150 nan 0.000 0.507 138 K N 1.606 122.019 120.400 0.022 0.000 2.185 138 K HA 0.466 4.783 4.320 -0.006 0.000 0.240 138 K C -0.008 176.581 176.600 -0.018 0.000 0.983 138 K CA -1.001 55.287 56.287 0.002 0.000 0.873 138 K CB 1.137 33.638 32.500 0.002 0.000 1.118 138 K HN 0.683 nan 8.250 nan 0.000 0.441 139 R N 1.186 121.663 120.500 -0.038 0.000 2.679 139 R HA 0.006 4.342 4.340 -0.006 0.000 0.268 139 R C 1.138 177.408 176.300 -0.050 0.000 1.044 139 R CA 0.315 56.379 56.100 -0.061 0.000 1.105 139 R CB 0.026 30.280 30.300 -0.076 0.000 0.989 139 R HN 0.573 nan 8.270 nan 0.000 0.447 140 L N 1.279 122.465 121.223 -0.061 0.000 2.349 140 L HA -0.244 4.092 4.340 -0.006 0.000 0.220 140 L C 2.019 178.858 176.870 -0.050 0.000 1.130 140 L CA 1.675 56.484 54.840 -0.051 0.000 0.791 140 L CB -0.512 41.510 42.059 -0.062 0.000 0.918 140 L HN 0.824 nan 8.230 nan 0.000 0.444 141 S N -1.029 114.635 115.700 -0.059 0.000 2.382 141 S HA -0.204 4.262 4.470 -0.006 0.000 0.228 141 S C 1.558 176.136 174.600 -0.037 0.000 1.027 141 S CA 1.280 59.448 58.200 -0.053 0.000 0.991 141 S CB -0.245 62.919 63.200 -0.061 0.000 0.823 141 S HN 0.398 nan 8.310 nan 0.000 0.469 142 D N 1.755 122.136 120.400 -0.031 0.000 2.097 142 D HA 0.064 4.700 4.640 -0.006 0.000 0.197 142 D C 1.085 177.376 176.300 -0.015 0.000 0.984 142 D CA 0.926 54.914 54.000 -0.020 0.000 0.826 142 D CB -0.270 40.521 40.800 -0.015 0.000 0.973 142 D HN 0.657 nan 8.370 nan 0.000 0.460 151 S N 0.385 116.100 115.700 0.024 0.000 2.547 151 S HA 0.170 4.636 4.470 -0.006 0.000 0.235 151 S C 1.525 176.159 174.600 0.058 0.000 0.980 151 S CA 0.864 59.088 58.200 0.040 0.000 0.941 151 S CB -0.198 63.024 63.200 0.037 0.000 0.763 151 S HN 0.564 nan 8.310 nan 0.000 0.532 152 A N 1.765 124.610 122.820 0.041 0.000 1.997 152 A HA 0.238 4.554 4.320 -0.006 0.000 0.212 152 A C 2.212 179.835 177.584 0.065 0.000 1.178 152 A CA 0.771 52.832 52.037 0.039 0.000 0.698 152 A CB -0.568 18.437 19.000 0.008 0.000 0.842 152 A HN 0.749 nan 8.150 nan 0.000 0.458 153 S N -0.749 114.982 115.700 0.052 0.000 2.593 153 S HA 0.257 4.723 4.470 -0.006 0.000 0.217 153 S C 1.210 175.845 174.600 0.058 0.000 0.966 153 S CA 0.236 58.466 58.200 0.051 0.000 0.914 153 S CB -0.219 63.000 63.200 0.032 0.000 0.776 153 S HN 0.383 nan 8.310 nan 0.000 0.523 154 L N 0.396 121.660 121.223 0.069 0.000 2.664 154 L HA 0.326 4.662 4.340 -0.006 0.000 0.233 154 L C 0.764 177.677 176.870 0.071 0.000 1.113 154 L CA -0.270 54.605 54.840 0.057 0.000 0.896 154 L CB -0.261 41.822 42.059 0.040 0.000 1.163 154 L HN 0.377 nan 8.230 nan 0.000 0.497 155 H N 0.432 119.513 119.070 0.019 0.000 3.070 155 H HA 0.223 4.775 4.556 -0.006 0.000 0.313 155 H C 1.236 176.579 175.328 0.026 0.000 0.997 155 H CA 0.985 57.046 56.048 0.021 0.000 1.438 155 H CB 0.566 30.339 29.762 0.018 0.000 1.455 155 H HN 0.278 nan 8.280 nan 0.000 0.575 156 G N 3.966 112.450 108.800 -0.526 0.000 2.205 156 G HA2 -0.303 3.653 3.960 -0.006 0.000 0.261 156 G HA3 -0.303 3.653 3.960 -0.006 0.000 0.261 156 G C 0.652 175.486 174.900 -0.110 0.000 0.980 156 G CA 0.255 45.157 45.100 -0.331 0.000 0.632 156 G HN 0.722 nan 8.290 nan 0.000 0.533 157 R N -0.334 120.132 120.500 -0.057 0.000 2.637 157 R HA 0.587 4.923 4.340 -0.006 0.000 0.269 157 R C 0.606 176.917 176.300 0.019 0.000 1.089 157 R CA -0.316 55.786 56.100 0.003 0.000 1.177 157 R CB 0.238 30.552 30.300 0.023 0.000 1.091 157 R HN 0.158 nan 8.270 nan 0.000 0.540 158 M N 1.568 121.200 119.600 0.054 0.000 2.264 158 M HA 0.332 4.809 4.480 -0.006 0.000 0.352 158 M C -0.641 175.701 176.300 0.070 0.000 1.173 158 M CA -0.507 54.836 55.300 0.072 0.000 1.075 158 M CB 1.471 34.134 32.600 0.105 0.000 1.621 158 M HN 0.297 nan 8.290 nan 0.000 0.457 159 V N 2.195 122.156 119.914 0.077 0.000 2.925 159 V HA 0.935 5.052 4.120 -0.006 0.000 0.311 159 V C -1.295 174.856 176.094 0.094 0.000 1.104 159 V CA -0.547 61.787 62.300 0.057 0.000 0.954 159 V CB 2.188 34.020 31.823 0.015 0.000 1.022 159 V HN 0.993 nan 8.190 nan 0.000 0.427 160 A N 2.658 125.491 122.820 0.022 0.000 2.435 160 A HA 0.843 5.159 4.320 -0.006 0.000 0.304 160 A C -0.263 177.212 177.584 -0.182 0.000 1.064 160 A CA -0.099 51.940 52.037 0.002 0.000 0.727 160 A CB 1.953 20.979 19.000 0.044 0.000 1.284 160 A HN 1.215 nan 8.150 nan 0.000 0.415 161 T N 0.264 114.723 114.554 -0.158 0.000 3.149 161 T HA 0.485 4.831 4.350 -0.006 0.000 0.373 161 T C -2.070 172.354 174.700 -0.461 0.000 1.364 161 T CA -1.609 60.335 62.100 -0.261 0.000 1.110 161 T CB 0.844 69.645 68.868 -0.112 0.000 1.127 161 T HN 0.338 nan 8.240 nan 0.000 0.576 162 P HA -0.026 nan 4.420 nan 0.000 0.225 162 P C 0.835 177.851 177.300 -0.472 0.000 1.148 162 P CA 0.814 63.160 63.100 -1.256 0.000 0.779 162 P CB 0.317 31.243 31.700 -1.290 0.000 0.780 163 E N -0.667 119.360 120.200 -0.289 0.000 2.481 163 E HA 0.116 4.462 4.350 -0.006 0.000 0.195 163 E C 0.543 177.104 176.600 -0.066 0.000 1.047 163 E CA 0.405 56.727 56.400 -0.130 0.000 0.867 163 E CB -0.237 29.390 29.700 -0.122 0.000 0.858 163 E HN 0.326 nan 8.360 nan 0.000 0.513 164 I N 0.002 120.524 120.570 -0.080 0.000 2.714 164 I HA 0.100 4.266 4.170 -0.006 0.000 0.276 164 I C -0.285 175.869 176.117 0.061 0.000 1.196 164 I CA -0.332 60.969 61.300 0.001 0.000 1.068 164 I CB 1.129 39.100 38.000 -0.048 0.000 1.291 164 I HN -0.144 nan 8.210 nan 0.000 0.530 165 S N 1.962 117.728 115.700 0.110 0.000 3.358 165 S HA -0.252 4.214 4.470 -0.006 0.000 0.309 165 S C 0.400 175.158 174.600 0.263 0.000 1.247 165 S CA 0.977 59.276 58.200 0.164 0.000 0.961 165 S CB -1.570 61.698 63.200 0.114 0.000 1.074 165 S HN 0.818 nan 8.310 nan 0.000 0.625 166 W N 0.870 122.185 121.300 0.025 0.000 5.950 166 W HA -0.273 4.384 4.660 -0.006 0.000 0.383 166 W C 0.377 176.906 176.519 0.016 0.000 1.418 166 W CA 0.763 58.117 57.345 0.016 0.000 0.994 166 W CB -2.175 27.282 29.460 -0.005 0.000 2.552 166 W HN 0.461 nan 8.180 nan 0.000 1.551 167 S N 0.649 116.445 115.700 0.160 0.000 2.568 167 S HA 0.439 4.906 4.470 -0.006 0.000 0.282 167 S C 0.267 174.900 174.600 0.055 0.000 1.338 167 S CA -0.381 57.857 58.200 0.063 0.000 1.045 167 S CB 0.730 63.942 63.200 0.019 0.000 0.873 167 S HN 0.162 nan 8.310 nan 0.000 0.516 168 L N 3.031 124.199 121.223 -0.092 0.000 2.296 168 L HA 0.549 4.885 4.340 -0.006 0.000 0.286 168 L C -1.034 175.712 176.870 -0.206 0.000 1.023 168 L CA -0.647 54.175 54.840 -0.031 0.000 0.812 168 L CB 0.521 42.573 42.059 -0.012 0.000 1.223 168 L HN 0.596 nan 8.230 nan 0.000 0.421 169 Y N 1.564 121.855 120.300 -0.014 0.000 2.549 169 Y HA 0.571 5.117 4.550 -0.006 0.000 0.339 169 Y C -0.090 175.794 175.900 -0.027 0.000 1.053 169 Y CA -0.981 57.103 58.100 -0.027 0.000 1.105 169 Y CB 2.127 40.563 38.460 -0.040 0.000 1.258 169 Y HN 0.219 nan 8.280 nan 0.000 0.478 170 V N 3.545 123.528 119.914 0.115 0.000 2.370 170 V HA 0.474 4.590 4.120 -0.006 0.000 0.283 170 V C -0.769 175.338 176.094 0.021 0.000 1.023 170 V CA -0.720 61.604 62.300 0.040 0.000 0.857 170 V CB 0.778 32.597 31.823 -0.008 0.000 0.985 170 V HN 0.611 nan 8.190 nan 0.000 0.443 171 V N 8.382 128.295 119.914 -0.003 0.000 2.585 171 V HA 0.104 4.220 4.120 -0.006 0.000 0.296 171 V C 1.056 177.120 176.094 -0.051 0.000 1.035 171 V CA 0.477 62.767 62.300 -0.017 0.000 1.084 171 V CB 1.124 32.942 31.823 -0.009 0.000 0.953 171 V HN 0.901 nan 8.190 nan 0.000 0.483 172 L N 3.469 124.691 121.223 -0.002 0.000 2.262 172 L HA 0.483 4.819 4.340 -0.006 0.000 0.197 172 L C 1.198 178.174 176.870 0.177 0.000 1.073 172 L CA 1.147 56.033 54.840 0.076 0.000 0.800 172 L CB 0.036 42.139 42.059 0.074 0.000 0.987 172 L HN 0.844 nan 8.230 nan 0.000 0.470 173 G N -0.835 108.027 108.800 0.103 0.000 2.588 173 G HA2 0.441 4.397 3.960 -0.006 0.000 0.281 173 G HA3 0.441 4.397 3.960 -0.006 0.000 0.281 173 G C -1.732 173.208 174.900 0.067 0.000 1.223 173 G CA -0.529 44.628 45.100 0.095 0.000 0.871 173 G HN -0.119 nan 8.290 nan 0.000 0.492 174 I N 1.059 121.664 120.570 0.059 0.000 2.447 174 I HA 0.291 4.457 4.170 -0.006 0.000 0.287 174 I C -1.469 174.676 176.117 0.047 0.000 1.023 174 I CA -0.495 60.830 61.300 0.042 0.000 1.083 174 I CB 2.129 40.137 38.000 0.014 0.000 1.245 174 I HN 0.418 nan 8.210 nan 0.000 0.434 175 D N 3.584 124.017 120.400 0.055 0.000 2.347 175 D HA 0.185 4.822 4.640 -0.006 0.000 0.235 175 D C 0.958 177.222 176.300 -0.059 0.000 1.149 175 D CA -0.086 53.919 54.000 0.008 0.000 0.850 175 D CB 1.141 41.920 40.800 -0.036 0.000 1.061 175 D HN 0.496 nan 8.370 nan 0.000 0.487 176 S N 1.245 116.918 115.700 -0.044 0.000 2.501 176 S HA -0.091 4.375 4.470 -0.006 0.000 0.220 176 S C 1.849 176.410 174.600 -0.066 0.000 0.997 176 S CA 0.053 58.222 58.200 -0.051 0.000 0.919 176 S CB -0.056 63.127 63.200 -0.029 0.000 0.778 176 S HN 0.499 nan 8.310 nan 0.000 0.523 177 T N 2.910 117.417 114.554 -0.077 0.000 2.685 177 T HA -0.176 4.171 4.350 -0.006 0.000 0.268 177 T C 0.926 175.562 174.700 -0.106 0.000 1.034 177 T CA 1.686 63.735 62.100 -0.085 0.000 1.149 177 T CB -0.362 68.444 68.868 -0.104 0.000 0.860 177 T HN 0.839 nan 8.240 nan 0.000 0.449 178 Q N -0.503 119.195 119.800 -0.170 0.000 2.528 178 Q HA 0.693 5.029 4.340 -0.006 0.000 0.289 178 Q C -1.433 174.451 176.000 -0.193 0.000 1.091 178 Q CA -0.937 54.757 55.803 -0.182 0.000 0.797 178 Q CB 2.147 30.739 28.738 -0.244 0.000 1.466 178 Q HN -0.008 nan 8.270 nan 0.000 0.436 179 T N 0.004 114.451 114.554 -0.178 0.000 2.883 179 T HA 0.210 4.556 4.350 -0.006 0.000 0.301 179 T C 0.568 175.160 174.700 -0.180 0.000 1.158 179 T CA -0.512 61.491 62.100 -0.161 0.000 1.007 179 T CB 1.730 70.547 68.868 -0.085 0.000 1.186 179 T HN 0.627 nan 8.240 nan 0.000 0.499 180 S N 1.042 116.647 115.700 -0.157 0.000 2.461 180 S HA -0.084 4.382 4.470 -0.006 0.000 0.246 180 S C 1.664 176.311 174.600 0.079 0.000 1.007 180 S CA 1.127 59.299 58.200 -0.047 0.000 0.976 180 S CB -0.372 62.811 63.200 -0.029 0.000 0.763 180 S HN 0.481 nan 8.310 nan 0.000 0.508 181 L N 0.647 121.876 121.223 0.009 0.000 2.567 181 L HA 0.153 4.489 4.340 -0.006 0.000 0.225 181 L C 0.697 177.524 176.870 -0.072 0.000 1.119 181 L CA -0.084 54.744 54.840 -0.021 0.000 0.871 181 L CB -0.093 41.950 42.059 -0.027 0.000 1.036 181 L HN 0.087 nan 8.230 nan 0.000 0.459 182 S N -1.297 114.422 115.700 0.031 0.000 2.614 182 S HA 0.336 4.802 4.470 -0.006 0.000 0.265 182 S C -0.543 174.131 174.600 0.124 0.000 1.303 182 S CA -0.333 57.918 58.200 0.085 0.000 1.000 182 S CB 0.566 63.838 63.200 0.120 0.000 0.935 182 S HN -0.029 nan 8.310 nan 0.000 0.551 183 Y N 0.993 121.400 120.300 0.178 0.000 2.376 183 Y HA 0.570 5.116 4.550 -0.006 0.000 0.325 183 Y C 0.110 176.089 175.900 0.131 0.000 1.199 183 Y CA -0.648 57.496 58.100 0.075 0.000 1.206 183 Y CB 0.828 39.278 38.460 -0.016 0.000 1.229 183 Y HN 0.667 nan 8.280 nan 0.000 0.480 184 F N -1.135 118.848 119.950 0.055 0.000 2.650 184 F HA 0.864 5.387 4.527 -0.006 0.000 0.320 184 F C -0.896 174.895 175.800 -0.016 0.000 1.091 184 F CA -1.148 56.836 58.000 -0.028 0.000 0.962 184 F CB 1.583 40.452 39.000 -0.218 0.000 1.363 184 F HN 0.361 nan 8.300 nan 0.000 0.482 185 T N -0.426 114.169 114.554 0.070 0.000 2.881 185 T HA 0.717 5.063 4.350 -0.006 0.000 0.290 185 T C -1.140 173.606 174.700 0.077 0.000 1.000 185 T CA -1.008 61.062 62.100 -0.051 0.000 0.978 185 T CB 1.612 70.464 68.868 -0.027 0.000 0.997 185 T HN 0.925 nan 8.240 nan 0.000 0.443 186 R N 2.109 122.615 120.500 0.011 0.000 2.532 186 R HA 0.764 5.100 4.340 -0.006 0.000 0.295 186 R C 0.350 176.651 176.300 0.002 0.000 0.968 186 R CA -0.978 55.147 56.100 0.042 0.000 0.916 186 R CB 1.235 31.569 30.300 0.057 0.000 1.124 186 R HN 0.918 nan 8.270 nan 0.000 0.463 187 A N 2.651 125.477 122.820 0.010 0.000 2.608 187 A HA -0.109 4.207 4.320 -0.006 0.000 0.239 187 A C 0.438 178.015 177.584 -0.012 0.000 1.018 187 A CA 0.476 52.513 52.037 -0.001 0.000 0.766 187 A CB -0.279 18.724 19.000 0.005 0.000 0.928 187 A HN 1.044 nan 8.150 nan 0.000 0.512 188 N N -0.532 118.156 118.700 -0.020 0.000 2.965 188 N HA -0.157 4.579 4.740 -0.006 0.000 0.232 188 N C -0.062 175.426 175.510 -0.037 0.000 0.913 188 N CA 1.761 54.797 53.050 -0.025 0.000 0.981 188 N CB -0.813 37.663 38.487 -0.017 0.000 1.077 188 N HN 0.999 nan 8.380 nan 0.000 0.589 189 E N 0.247 120.417 120.200 -0.051 0.000 2.363 189 E HA 0.389 4.735 4.350 -0.006 0.000 0.281 189 E C -1.467 175.062 176.600 -0.118 0.000 0.953 189 E CA -0.432 55.925 56.400 -0.071 0.000 0.778 189 E CB 1.528 31.193 29.700 -0.058 0.000 1.220 189 E HN 0.157 nan 8.360 nan 0.000 0.431 190 S N 4.077 119.698 115.700 -0.132 0.000 2.733 190 S HA 0.620 5.086 4.470 -0.006 0.000 0.294 190 S C -0.558 173.988 174.600 -0.091 0.000 1.149 190 S CA -0.744 57.351 58.200 -0.175 0.000 1.034 190 S CB 0.329 63.433 63.200 -0.161 0.000 1.015 190 S HN 0.427 nan 8.310 nan 0.000 0.486 191 I N 2.510 122.899 120.570 -0.302 0.000 2.648 191 I HA 0.500 4.667 4.170 -0.006 0.000 0.304 191 I C 0.692 176.646 176.117 -0.271 0.000 1.009 191 I CA -0.979 60.197 61.300 -0.206 0.000 1.114 191 I CB 2.315 40.164 38.000 -0.250 0.000 1.293 191 I HN 0.747 nan 8.210 nan 0.000 0.449 192 T N -0.276 114.136 114.554 -0.236 0.000 2.899 192 T HA 0.219 4.565 4.350 -0.006 0.000 0.295 192 T C 0.877 175.644 174.700 0.112 0.000 1.033 192 T CA -0.133 61.810 62.100 -0.261 0.000 1.084 192 T CB 0.657 69.303 68.868 -0.369 0.000 0.979 192 T HN 0.419 nan 8.240 nan 0.000 0.532 193 Y N 0.743 121.182 120.300 0.232 0.000 2.151 193 Y HA -0.152 4.394 4.550 -0.007 0.000 0.284 193 Y C 2.778 178.935 175.900 0.427 0.000 1.166 193 Y CA 1.733 60.079 58.100 0.410 0.000 1.163 193 Y CB -0.404 38.236 38.460 0.299 0.000 0.974 193 Y HN 0.612 nan 8.280 nan 0.000 0.511 194 M N -0.375 119.456 119.600 0.384 0.000 2.279 194 M HA -0.241 4.236 4.480 -0.006 0.000 0.264 194 M C 2.291 178.735 176.300 0.240 0.000 1.062 194 M CA 1.596 57.058 55.300 0.270 0.000 1.099 194 M CB -0.091 32.592 32.600 0.138 0.000 1.394 194 M HN 0.217 nan 8.290 nan 0.000 0.426 195 R N -1.068 119.549 120.500 0.196 0.000 2.080 195 R HA -0.158 4.178 4.340 -0.006 0.000 0.222 195 R C 2.196 178.588 176.300 0.153 0.000 1.107 195 R CA 1.275 57.457 56.100 0.137 0.000 0.980 195 R CB -0.441 29.905 30.300 0.078 0.000 0.879 195 R HN 0.419 nan 8.270 nan 0.000 0.439 196 Y N 0.408 120.769 120.300 0.101 0.000 2.081 196 Y HA -0.328 4.218 4.550 -0.007 0.000 0.280 196 Y C 1.551 177.453 175.900 0.003 0.000 1.163 196 Y CA 1.968 60.089 58.100 0.036 0.000 1.135 196 Y CB -0.680 37.806 38.460 0.042 0.000 0.970 196 Y HN 0.091 nan 8.280 nan 0.000 0.498 197 Y N -0.279 120.042 120.300 0.034 0.000 2.352 197 Y HA -0.101 4.446 4.550 -0.007 0.000 0.292 197 Y C 2.569 178.390 175.900 -0.132 0.000 1.136 197 Y CA 0.946 59.005 58.100 -0.069 0.000 1.227 197 Y CB -0.717 37.767 38.460 0.040 0.000 0.991 197 Y HN 0.289 nan 8.280 nan 0.000 0.545 198 A N -0.472 122.360 122.820 0.021 0.000 1.872 198 A HA -0.125 4.192 4.320 -0.006 0.000 0.214 198 A C 2.254 179.772 177.584 -0.109 0.000 1.187 198 A CA 2.009 53.989 52.037 -0.096 0.000 0.614 198 A CB -1.064 17.964 19.000 0.047 0.000 0.826 198 A HN 0.351 nan 8.150 nan 0.000 0.442 199 T N 0.187 114.686 114.554 -0.092 0.000 2.737 199 T HA 0.083 4.429 4.350 -0.006 0.000 0.265 199 T C 2.171 176.747 174.700 -0.208 0.000 1.038 199 T CA 1.596 63.632 62.100 -0.107 0.000 1.144 199 T CB -0.321 68.510 68.868 -0.061 0.000 0.866 199 T HN 0.536 nan 8.240 nan 0.000 0.434 200 A N 1.070 123.653 122.820 -0.395 0.000 1.862 200 A HA 0.016 4.332 4.320 -0.006 0.000 0.211 200 A C 1.885 179.128 177.584 -0.569 0.000 1.220 200 A CA 0.667 52.351 52.037 -0.589 0.000 0.616 200 A CB -0.424 17.939 19.000 -1.062 0.000 0.878 200 A HN 0.574 nan 8.150 nan 0.000 0.453 201 H N -1.224 117.657 119.070 -0.314 0.000 2.586 201 H HA 0.133 4.685 4.556 -0.007 0.000 0.273 201 H C 0.143 175.389 175.328 -0.136 0.000 0.997 201 H CA 0.282 56.228 56.048 -0.170 0.000 1.177 201 H CB 0.187 29.892 29.762 -0.095 0.000 1.471 201 H HN 0.529 nan 8.280 nan 0.000 0.538 202 N N 1.038 119.674 118.700 -0.106 0.000 2.714 202 N HA -0.190 4.547 4.740 -0.006 0.000 0.250 202 N C -0.566 174.775 175.510 -0.281 0.000 1.117 202 N CA 0.317 53.255 53.050 -0.186 0.000 0.719 202 N CB -1.252 37.184 38.487 -0.085 0.000 1.081 202 N HN 0.380 nan 8.380 nan 0.000 0.557 203 I N 1.584 122.026 120.570 -0.213 0.000 2.321 203 I HA 0.136 4.302 4.170 -0.006 0.000 0.291 203 I C 0.293 176.259 176.117 -0.252 0.000 0.998 203 I CA -0.530 60.671 61.300 -0.165 0.000 1.227 203 I CB 1.031 39.021 38.000 -0.017 0.000 1.368 203 I HN 0.013 nan 8.210 nan 0.000 0.466 204 H N 7.518 126.608 119.070 0.033 0.000 2.724 204 H HA 0.322 4.874 4.556 -0.006 0.000 0.278 204 H C -0.188 175.142 175.328 0.003 0.000 1.159 204 H CA -0.615 55.449 56.048 0.027 0.000 1.254 204 H CB 0.792 30.565 29.762 0.018 0.000 1.412 204 H HN 0.412 nan 8.280 nan 0.000 0.488 205 L N 3.128 124.396 121.223 0.075 0.000 2.559 205 L HA -0.055 4.281 4.340 -0.006 0.000 0.274 205 L C 1.863 178.744 176.870 0.018 0.000 1.205 205 L CA 0.313 55.156 54.840 0.005 0.000 0.907 205 L CB 0.759 42.807 42.059 -0.017 0.000 1.153 205 L HN 0.494 nan 8.230 nan 0.000 0.490 206 R N 2.964 123.460 120.500 -0.006 0.000 2.055 206 R HA 0.065 4.401 4.340 -0.006 0.000 0.221 206 R C 1.295 177.584 176.300 -0.019 0.000 1.154 206 R CA 1.022 57.119 56.100 -0.006 0.000 0.975 206 R CB -0.032 30.262 30.300 -0.010 0.000 0.869 206 R HN 0.752 nan 8.270 nan 0.000 0.437 207 A N 1.131 123.929 122.820 -0.037 0.000 2.604 207 A HA 0.239 4.555 4.320 -0.006 0.000 0.248 207 A C 1.331 178.887 177.584 -0.047 0.000 1.466 207 A CA 0.379 52.391 52.037 -0.042 0.000 1.222 207 A CB -0.438 18.530 19.000 -0.053 0.000 0.945 207 A HN 0.408 nan 8.150 nan 0.000 0.600 208 A N 0.389 123.189 122.820 -0.033 0.000 2.259 208 A HA -0.069 4.247 4.320 -0.006 0.000 0.212 208 A C 1.350 178.914 177.584 -0.033 0.000 1.178 208 A CA 1.481 53.501 52.037 -0.028 0.000 0.734 208 A CB -0.416 18.584 19.000 0.001 0.000 0.774 208 A HN 0.714 nan 8.150 nan 0.000 0.481 209 D N -1.616 118.763 120.400 -0.036 0.000 2.369 209 D HA 0.237 4.873 4.640 -0.006 0.000 0.211 209 D C 0.352 176.624 176.300 -0.047 0.000 1.077 209 D CA -0.207 53.772 54.000 -0.035 0.000 0.842 209 D CB -0.207 40.578 40.800 -0.024 0.000 0.947 209 D HN 0.374 nan 8.370 nan 0.000 0.509 210 L N 0.313 121.501 121.223 -0.059 0.000 2.421 210 L HA 0.433 4.769 4.340 -0.006 0.000 0.263 210 L C -2.138 174.681 176.870 -0.085 0.000 1.122 210 L CA -2.303 52.498 54.840 -0.065 0.000 0.804 210 L CB 0.817 42.837 42.059 -0.066 0.000 1.150 210 L HN -0.206 nan 8.230 nan 0.000 0.457 211 P HA 0.132 nan 4.420 nan 0.000 0.271 211 P C -0.745 176.492 177.300 -0.105 0.000 1.216 211 P CA -0.197 62.849 63.100 -0.090 0.000 0.771 211 P CB 0.404 32.067 31.700 -0.062 0.000 0.864 212 L N 2.836 123.971 121.223 -0.146 0.000 2.416 212 L HA 0.132 4.468 4.340 -0.006 0.000 0.272 212 L C 0.290 177.140 176.870 -0.035 0.000 1.161 212 L CA -0.627 54.125 54.840 -0.145 0.000 0.845 212 L CB 0.315 42.218 42.059 -0.261 0.000 1.119 212 L HN 0.134 nan 8.230 nan 0.000 0.464 213 V N 2.690 122.580 119.914 -0.040 0.000 2.508 213 V HA 0.252 4.368 4.120 -0.006 0.000 0.281 213 V C 0.713 176.836 176.094 0.047 0.000 1.041 213 V CA -0.553 61.739 62.300 -0.013 0.000 1.016 213 V CB 0.897 32.674 31.823 -0.077 0.000 0.984 213 V HN 0.858 nan 8.190 nan 0.000 0.478 214 A N 4.476 127.349 122.820 0.089 0.000 2.320 214 A HA 0.849 5.165 4.320 -0.006 0.000 0.287 214 A C 0.274 177.814 177.584 -0.074 0.000 1.181 214 A CA 0.259 52.299 52.037 0.004 0.000 0.831 214 A CB 0.553 19.613 19.000 0.100 0.000 1.102 214 A HN 1.438 nan 8.150 nan 0.000 0.513 215 A N 1.819 124.551 122.820 -0.146 0.000 2.564 215 A HA 0.800 5.116 4.320 -0.006 0.000 0.288 215 A C -1.203 176.376 177.584 -0.007 0.000 1.164 215 A CA -0.504 51.507 52.037 -0.044 0.000 0.712 215 A CB 1.192 20.181 19.000 -0.019 0.000 1.303 215 A HN 1.244 nan 8.150 nan 0.000 0.418 216 V N 0.711 120.673 119.914 0.080 0.000 2.588 216 V HA 0.484 4.601 4.120 -0.006 0.000 0.304 216 V C 0.267 176.411 176.094 0.083 0.000 1.042 216 V CA -0.659 61.682 62.300 0.068 0.000 0.877 216 V CB 1.566 33.398 31.823 0.014 0.000 0.996 216 V HN 0.953 nan 8.190 nan 0.000 0.425 217 R N 1.783 122.273 120.500 -0.017 0.000 2.623 217 R HA 0.120 4.456 4.340 -0.006 0.000 0.271 217 R C 1.086 177.264 176.300 -0.203 0.000 1.043 217 R CA -0.156 55.727 56.100 -0.362 0.000 1.083 217 R CB 0.438 30.529 30.300 -0.349 0.000 0.974 217 R HN 0.702 nan 8.270 nan 0.000 0.436 218 L N 3.438 124.520 121.223 -0.236 0.000 2.156 218 L HA -0.122 4.214 4.340 -0.006 0.000 0.208 218 L C 1.143 177.946 176.870 -0.110 0.000 1.095 218 L CA 1.802 56.567 54.840 -0.125 0.000 0.770 218 L CB -0.259 41.735 42.059 -0.108 0.000 0.914 218 L HN 0.746 nan 8.230 nan 0.000 0.439 219 D N -0.013 120.302 120.400 -0.141 0.000 2.133 219 D HA -0.214 4.422 4.640 -0.006 0.000 0.195 219 D C 1.399 177.657 176.300 -0.070 0.000 0.997 219 D CA 1.717 55.652 54.000 -0.109 0.000 0.840 219 D CB -0.022 40.709 40.800 -0.115 0.000 0.947 219 D HN 0.475 nan 8.370 nan 0.000 0.452 220 D N -0.056 120.308 120.400 -0.060 0.000 2.305 220 D HA -0.026 4.610 4.640 -0.006 0.000 0.206 220 D C 1.177 177.504 176.300 0.046 0.000 0.974 220 D CA -0.053 53.943 54.000 -0.007 0.000 0.871 220 D CB 0.115 40.911 40.800 -0.007 0.000 0.947 220 D HN 0.102 nan 8.370 nan 0.000 0.516 221 L N 1.524 122.761 121.223 0.024 0.000 2.672 221 L HA 0.102 4.438 4.340 -0.006 0.000 0.238 221 L C 1.355 178.224 176.870 -0.003 0.000 1.392 221 L CA 0.148 55.027 54.840 0.065 0.000 1.238 221 L CB -0.293 41.788 42.059 0.037 0.000 1.548 221 L HN -0.281 nan 8.230 nan 0.000 0.423 222 K N 0.335 120.695 120.400 -0.067 0.000 2.059 222 K HA -0.180 4.136 4.320 -0.006 0.000 0.212 222 K C 1.016 177.535 176.600 -0.135 0.000 1.050 222 K CA 2.210 58.421 56.287 -0.125 0.000 0.927 222 K CB 0.117 32.521 32.500 -0.161 0.000 0.714 222 K HN 0.811 nan 8.250 nan 0.000 0.447 223 D N -3.643 116.613 120.400 -0.240 0.000 2.310 223 D HA -0.056 4.580 4.640 -0.006 0.000 0.470 223 D C -0.409 175.839 176.300 -0.087 0.000 1.038 223 D CA -0.339 53.581 54.000 -0.133 0.000 1.012 223 D CB -0.582 40.146 40.800 -0.120 0.000 1.458 223 D HN 0.015 nan 8.370 nan 0.000 0.457 224 H N 2.160 121.241 119.070 0.019 0.000 3.152 224 H HA 0.124 4.676 4.556 -0.006 0.000 0.319 224 H C 0.501 175.840 175.328 0.019 0.000 0.994 224 H CA 0.700 56.759 56.048 0.018 0.000 1.370 224 H CB 0.361 30.132 29.762 0.014 0.000 1.322 224 H HN 0.235 nan 8.280 nan 0.000 0.590 225 Q N 1.898 121.787 119.800 0.149 0.000 2.392 225 Q HA 0.304 4.640 4.340 -0.006 0.000 0.262 225 Q C 0.321 176.376 176.000 0.092 0.000 1.003 225 Q CA -0.066 55.794 55.803 0.094 0.000 0.888 225 Q CB 0.518 29.302 28.738 0.076 0.000 1.260 225 Q HN 0.456 nan 8.270 nan 0.000 0.435 226 I N 3.371 123.989 120.570 0.079 0.000 2.474 226 I HA 0.183 4.349 4.170 -0.006 0.000 0.287 226 I C -1.713 174.482 176.117 0.130 0.000 1.048 226 I CA -1.908 59.441 61.300 0.082 0.000 1.383 226 I CB 0.744 38.764 38.000 0.033 0.000 1.412 226 I HN 0.579 nan 8.210 nan 0.000 0.531 227 P HA 0.192 nan 4.420 nan 0.000 0.275 227 P C -0.581 176.809 177.300 0.149 0.000 1.270 227 P CA -0.426 62.749 63.100 0.124 0.000 0.791 227 P CB 0.435 32.193 31.700 0.097 0.000 1.089 228 A N 0.393 123.222 122.820 0.014 0.000 2.257 228 A HA 0.405 4.721 4.320 -0.006 0.000 0.290 228 A C -1.506 175.938 177.584 -0.234 0.000 1.201 228 A CA -1.027 50.922 52.037 -0.146 0.000 0.863 228 A CB -1.373 17.575 19.000 -0.087 0.000 1.256 228 A HN 0.381 nan 8.150 nan 0.000 0.506 229 P HA -0.059 nan 4.420 nan 0.000 0.226 229 P C 0.465 177.730 177.300 -0.058 0.000 1.139 229 P CA 2.145 65.136 63.100 -0.181 0.000 0.777 229 P CB -0.147 31.473 31.700 -0.133 0.000 0.757 230 G N -1.355 107.424 108.800 -0.036 0.000 2.587 230 G HA2 0.011 3.967 3.960 -0.006 0.000 0.216 230 G HA3 0.011 3.967 3.960 -0.006 0.000 0.216 230 G C 0.063 174.966 174.900 0.004 0.000 1.124 230 G CA -0.202 44.902 45.100 0.006 0.000 0.858 230 G HN 0.361 nan 8.290 nan 0.000 0.523 234 D N 0.502 120.903 120.400 0.003 0.000 2.088 234 D HA 0.015 4.652 4.640 -0.006 0.000 0.196 234 D C 0.366 176.640 176.300 -0.042 0.000 0.983 234 D CA 1.191 55.181 54.000 -0.016 0.000 0.846 234 D CB 0.290 41.080 40.800 -0.016 0.000 0.992 234 D HN 0.245 nan 8.370 nan 0.000 0.448 235 L N 0.316 121.499 121.223 -0.067 0.000 2.337 235 L HA 0.496 4.832 4.340 -0.006 0.000 0.269 235 L C 0.211 177.043 176.870 -0.063 0.000 1.018 235 L CA -0.472 54.310 54.840 -0.096 0.000 0.876 235 L CB 1.795 43.728 42.059 -0.209 0.000 1.236 235 L HN 0.018 nan 8.230 nan 0.000 0.436 236 A N 3.503 126.300 122.820 -0.038 0.000 2.303 236 A HA 0.279 4.596 4.320 -0.006 0.000 0.217 236 A C -0.610 176.962 177.584 -0.019 0.000 1.205 236 A CA 0.011 52.034 52.037 -0.024 0.000 0.875 236 A CB -0.519 18.485 19.000 0.007 0.000 0.910 236 A HN 0.572 nan 8.150 nan 0.000 0.501 237 P HA 0.008 nan 4.420 nan 0.000 0.241 237 P C 0.479 177.768 177.300 -0.017 0.000 1.191 237 P CA 0.839 63.934 63.100 -0.009 0.000 0.771 237 P CB 0.097 31.793 31.700 -0.006 0.000 0.929 238 K N -0.575 119.806 120.400 -0.031 0.000 2.399 238 K HA 0.182 4.498 4.320 -0.006 0.000 0.204 238 K C 0.427 176.997 176.600 -0.051 0.000 1.023 238 K CA -0.541 55.729 56.287 -0.028 0.000 1.127 238 K CB 0.216 32.709 32.500 -0.013 0.000 0.856 238 K HN 0.077 nan 8.250 nan 0.000 0.514 239 L N 1.233 122.404 121.223 -0.087 0.000 2.395 239 L HA 0.279 4.615 4.340 -0.006 0.000 0.269 239 L C -0.658 176.058 176.870 -0.257 0.000 1.133 239 L CA 0.136 54.867 54.840 -0.181 0.000 0.812 239 L CB 0.637 42.558 42.059 -0.229 0.000 1.125 239 L HN -0.038 nan 8.230 nan 0.000 0.452 240 R N 3.210 123.492 120.500 -0.363 0.000 2.698 240 R HA 0.570 4.906 4.340 -0.006 0.000 0.275 240 R C -1.673 174.305 176.300 -0.536 0.000 1.001 240 R CA -0.520 55.381 56.100 -0.332 0.000 0.896 240 R CB 1.713 31.978 30.300 -0.059 0.000 1.218 240 R HN 0.448 nan 8.270 nan 0.000 0.462 241 F N 3.275 123.222 119.950 -0.006 0.000 2.508 241 F HA 0.604 5.128 4.527 -0.006 0.000 0.325 241 F C -0.055 175.688 175.800 -0.094 0.000 1.090 241 F CA -1.003 56.954 58.000 -0.070 0.000 0.945 241 F CB 1.560 40.502 39.000 -0.097 0.000 1.156 241 F HN 0.181 nan 8.300 nan 0.000 0.463 242 L N 0.244 121.454 121.223 -0.021 0.000 2.472 242 L HA 0.728 5.064 4.340 -0.006 0.000 0.260 242 L C -3.171 173.590 176.870 -0.183 0.000 0.963 242 L CA -2.632 52.148 54.840 -0.100 0.000 0.829 242 L CB 2.092 44.014 42.059 -0.229 0.000 1.348 242 L HN 0.197 nan 8.230 nan 0.000 0.408 243 P HA 0.118 nan 4.420 nan 0.000 0.261 243 P C -2.116 175.052 177.300 -0.219 0.000 1.183 243 P CA -0.545 62.407 63.100 -0.246 0.000 0.761 243 P CB 0.219 31.718 31.700 -0.335 0.000 0.785 244 P HA -0.202 nan 4.420 nan 0.000 0.218 244 P C 0.947 178.164 177.300 -0.139 0.000 1.148 244 P CA 1.460 64.478 63.100 -0.135 0.000 0.822 244 P CB -0.210 31.428 31.700 -0.102 0.000 0.784 245 E N -0.809 119.301 120.200 -0.149 0.000 2.511 245 E HA -0.001 4.345 4.350 -0.006 0.000 0.196 245 E C 1.363 177.860 176.600 -0.172 0.000 1.066 245 E CA 0.413 56.730 56.400 -0.138 0.000 0.871 245 E CB -0.759 28.870 29.700 -0.118 0.000 0.863 245 E HN 0.263 nan 8.360 nan 0.000 0.520 246 L N -0.066 121.025 121.223 -0.219 0.000 2.638 246 L HA 0.234 4.570 4.340 -0.006 0.000 0.232 246 L C 0.257 176.985 176.870 -0.236 0.000 1.099 246 L CA -0.478 54.214 54.840 -0.248 0.000 0.883 246 L CB 0.653 42.518 42.059 -0.324 0.000 1.136 246 L HN 0.171 nan 8.230 nan 0.000 0.492 247 C N 1.955 121.133 119.300 -0.203 0.000 2.158 247 C HA 0.278 4.734 4.460 -0.006 0.000 0.350 247 C C 0.691 175.596 174.990 -0.142 0.000 1.064 247 C CA -0.958 57.953 59.018 -0.177 0.000 1.507 247 C CB -0.722 26.924 27.740 -0.157 0.000 1.934 247 C HN 0.223 nan 8.230 nan 0.000 0.479 248 L N 4.795 125.916 121.223 -0.171 0.000 2.385 248 L HA 0.286 4.622 4.340 -0.006 0.000 0.281 248 L C 0.060 176.894 176.870 -0.060 0.000 1.106 248 L CA -0.225 54.536 54.840 -0.131 0.000 0.856 248 L CB 0.314 42.243 42.059 -0.217 0.000 1.186 248 L HN 0.658 nan 8.230 nan 0.000 0.453 249 L N 6.454 127.664 121.223 -0.023 0.000 2.369 249 L HA 0.290 4.626 4.340 -0.006 0.000 0.279 249 L C -0.471 176.433 176.870 0.057 0.000 1.108 249 L CA -0.099 54.750 54.840 0.014 0.000 0.852 249 L CB 0.491 42.557 42.059 0.012 0.000 1.169 249 L HN 0.551 nan 8.230 nan 0.000 0.452 250 L N 7.874 129.147 121.223 0.083 0.000 2.416 250 L HA 0.318 4.654 4.340 -0.006 0.000 0.272 250 L C -1.625 175.352 176.870 0.178 0.000 1.161 250 L CA -1.902 53.025 54.840 0.144 0.000 0.845 250 L CB 0.044 42.194 42.059 0.150 0.000 1.119 250 L HN 0.547 nan 8.230 nan 0.000 0.464 251 P HA -0.133 nan 4.420 nan 0.000 0.269 251 P C 0.190 177.578 177.300 0.147 0.000 1.200 251 P CA 0.053 63.266 63.100 0.188 0.000 0.779 251 P CB 0.564 32.405 31.700 0.235 0.000 0.841 252 D N 1.415 121.860 120.400 0.075 0.000 2.172 252 D HA -0.199 4.437 4.640 -0.006 0.000 0.196 252 D C 1.542 177.849 176.300 0.012 0.000 0.999 252 D CA 1.602 55.626 54.000 0.040 0.000 0.856 252 D CB 0.140 40.950 40.800 0.016 0.000 0.934 252 D HN 0.577 nan 8.370 nan 0.000 0.453 253 E N -0.076 120.096 120.200 -0.046 0.000 2.028 253 E HA -0.114 4.232 4.350 -0.006 0.000 0.191 253 E C 0.676 177.166 176.600 -0.183 0.000 0.988 253 E CA 0.356 56.650 56.400 -0.177 0.000 0.799 253 E CB -0.265 29.234 29.700 -0.335 0.000 0.755 253 E HN 0.258 nan 8.360 nan 0.000 0.447 254 F N 3.244 123.227 119.950 0.054 0.000 2.650 254 F HA -0.008 4.515 4.527 -0.007 0.000 0.338 254 F C 0.850 176.679 175.800 0.048 0.000 1.311 254 F CA -0.456 57.583 58.000 0.063 0.000 1.106 254 F CB -0.250 38.797 39.000 0.079 0.000 1.500 254 F HN 0.037 nan 8.300 nan 0.000 0.670 255 D N 1.575 122.065 120.400 0.150 0.000 2.487 255 D HA 0.075 4.711 4.640 -0.006 0.000 0.262 255 D C 1.375 177.738 176.300 0.105 0.000 1.130 255 D CA -0.637 53.423 54.000 0.100 0.000 1.038 255 D CB 1.043 41.871 40.800 0.046 0.000 1.142 255 D HN 0.312 nan 8.370 nan 0.000 0.575 256 L N 0.226 121.490 121.223 0.068 0.000 2.021 256 L HA -0.228 4.108 4.340 -0.006 0.000 0.215 256 L C 2.121 179.036 176.870 0.076 0.000 1.074 256 L CA 1.713 56.589 54.840 0.061 0.000 0.760 256 L CB -0.543 41.534 42.059 0.031 0.000 0.889 256 L HN 0.462 nan 8.230 nan 0.000 0.433 257 I N -0.762 119.847 120.570 0.065 0.000 2.163 257 I HA -0.249 3.918 4.170 -0.006 0.000 0.243 257 I C 2.690 178.881 176.117 0.123 0.000 1.085 257 I CA 1.219 62.561 61.300 0.070 0.000 1.347 257 I CB -1.336 36.682 38.000 0.031 0.000 1.044 257 I HN 0.365 nan 8.210 nan 0.000 0.408 258 R N 0.811 121.393 120.500 0.137 0.000 2.096 258 R HA -0.121 4.215 4.340 -0.006 0.000 0.229 258 R C 2.409 178.901 176.300 0.320 0.000 1.134 258 R CA 1.301 57.547 56.100 0.244 0.000 0.917 258 R CB -1.113 29.310 30.300 0.205 0.000 0.832 258 R HN 0.215 nan 8.270 nan 0.000 0.430 259 V N 1.603 121.676 119.914 0.265 0.000 2.313 259 V HA -0.332 3.784 4.120 -0.006 0.000 0.253 259 V C 2.599 178.754 176.094 0.103 0.000 1.070 259 V CA 2.372 64.782 62.300 0.184 0.000 1.057 259 V CB -0.646 31.252 31.823 0.126 0.000 0.653 259 V HN 0.394 nan 8.190 nan 0.000 0.450 260 Q N 0.146 120.009 119.800 0.105 0.000 1.993 260 Q HA -0.145 4.192 4.340 -0.006 0.000 0.202 260 Q C 2.240 178.319 176.000 0.131 0.000 0.984 260 Q CA 2.199 58.047 55.803 0.076 0.000 0.837 260 Q CB -0.602 28.203 28.738 0.113 0.000 0.902 260 Q HN 0.593 nan 8.270 nan 0.000 0.423 261 A N 0.439 123.403 122.820 0.241 0.000 1.948 261 A HA -0.193 4.123 4.320 -0.006 0.000 0.220 261 A C 2.020 179.653 177.584 0.082 0.000 1.177 261 A CA 1.597 53.815 52.037 0.301 0.000 0.636 261 A CB -1.033 18.203 19.000 0.393 0.000 0.815 261 A HN 0.548 nan 8.150 nan 0.000 0.449 262 L N -0.260 120.998 121.223 0.059 0.000 2.081 262 L HA -0.217 4.119 4.340 -0.006 0.000 0.212 262 L C 2.117 178.811 176.870 -0.293 0.000 1.080 262 L CA 2.397 57.131 54.840 -0.176 0.000 0.754 262 L CB -0.758 41.333 42.059 0.053 0.000 0.893 262 L HN 0.415 nan 8.230 nan 0.000 0.433 263 Q N -0.709 118.913 119.800 -0.297 0.000 2.291 263 Q HA -0.145 4.191 4.340 -0.006 0.000 0.206 263 Q C 1.961 177.605 176.000 -0.593 0.000 0.976 263 Q CA 1.574 57.094 55.803 -0.472 0.000 0.875 263 Q CB -0.512 27.894 28.738 -0.553 0.000 0.927 263 Q HN 0.651 nan 8.270 nan 0.000 0.450 264 F N -0.398 119.398 119.950 -0.256 0.000 2.765 264 F HA 0.121 4.644 4.527 -0.007 0.000 0.302 264 F C 1.821 177.415 175.800 -0.343 0.000 1.111 264 F CA -0.131 57.724 58.000 -0.241 0.000 1.359 264 F CB 0.010 38.876 39.000 -0.223 0.000 1.097 264 F HN -0.047 nan 8.300 nan 0.000 0.577 265 L N 0.499 121.470 121.223 -0.420 0.000 2.056 265 L HA -0.107 4.229 4.340 -0.006 0.000 0.207 265 L C -0.393 176.274 176.870 -0.337 0.000 1.078 265 L CA 1.155 55.547 54.840 -0.747 0.000 0.749 265 L CB -1.859 39.428 42.059 -1.286 0.000 0.901 265 L HN 0.032 nan 8.230 nan 0.000 0.433 266 P HA -0.186 nan 4.420 nan 0.000 0.216 266 P C 1.312 178.677 177.300 0.109 0.000 1.150 266 P CA 1.220 64.377 63.100 0.095 0.000 0.843 266 P CB 0.031 31.658 31.700 -0.122 0.000 0.787 267 E N -0.418 119.837 120.200 0.092 0.000 2.051 267 E HA -0.129 4.217 4.350 -0.006 0.000 0.192 267 E C 2.134 178.840 176.600 0.178 0.000 0.991 267 E CA 1.028 57.518 56.400 0.150 0.000 0.799 267 E CB -1.003 28.877 29.700 0.299 0.000 0.748 267 E HN 0.330 nan 8.360 nan 0.000 0.449 268 I N 1.259 122.017 120.570 0.313 0.000 2.315 268 I HA -0.289 3.877 4.170 -0.006 0.000 0.251 268 I C 2.401 178.680 176.117 0.271 0.000 1.125 268 I CA 1.205 62.769 61.300 0.440 0.000 1.392 268 I CB -0.367 37.843 38.000 0.349 0.000 1.065 268 I HN -0.001 nan 8.210 nan 0.000 0.424 269 A N 0.770 123.703 122.820 0.189 0.000 1.930 269 A HA -0.171 4.145 4.320 -0.006 0.000 0.217 269 A C 2.328 179.977 177.584 0.109 0.000 1.175 269 A CA 1.385 53.537 52.037 0.192 0.000 0.627 269 A CB -0.325 18.884 19.000 0.349 0.000 0.815 269 A HN 0.327 nan 8.150 nan 0.000 0.443 270 K N -1.435 119.004 120.400 0.064 0.000 2.103 270 K HA -0.126 4.190 4.320 -0.006 0.000 0.204 270 K C 2.051 178.565 176.600 -0.143 0.000 1.052 270 K CA 1.312 57.571 56.287 -0.048 0.000 0.945 270 K CB -0.294 32.171 32.500 -0.059 0.000 0.722 270 K HN 0.670 nan 8.250 nan 0.000 0.443 271 H N 1.468 120.375 119.070 -0.272 0.000 2.267 271 H HA -0.082 4.470 4.556 -0.006 0.000 0.297 271 H C 1.792 176.932 175.328 -0.314 0.000 1.080 271 H CA 1.873 57.683 56.048 -0.397 0.000 1.278 271 H CB -0.277 29.195 29.762 -0.484 0.000 1.365 271 H HN 0.042 nan 8.280 nan 0.000 0.489 272 I N -0.575 119.835 120.570 -0.267 0.000 2.335 272 I HA -0.329 3.837 4.170 -0.006 0.000 0.251 272 I C 2.905 178.880 176.117 -0.237 0.000 1.129 272 I CA 1.255 62.364 61.300 -0.318 0.000 1.402 272 I CB -0.331 37.556 38.000 -0.188 0.000 1.069 272 I HN 0.488 nan 8.210 nan 0.000 0.424 273 C N 0.405 119.620 119.300 -0.141 0.000 2.457 273 C HA -0.139 4.317 4.460 -0.006 0.000 0.278 273 C C 2.615 177.540 174.990 -0.108 0.000 1.309 273 C CA 1.061 60.047 59.018 -0.053 0.000 1.735 273 C CB -0.807 26.952 27.740 0.032 0.000 1.992 273 C HN 0.517 nan 8.230 nan 0.000 0.493 274 D N 0.689 120.932 120.400 -0.262 0.000 2.084 274 D HA -0.110 4.526 4.640 -0.006 0.000 0.194 274 D C 1.977 178.116 176.300 -0.268 0.000 0.990 274 D CA 1.635 55.485 54.000 -0.250 0.000 0.826 274 D CB -0.458 40.138 40.800 -0.339 0.000 0.971 274 D HN 0.586 nan 8.370 nan 0.000 0.453 275 I N 0.559 120.771 120.570 -0.596 0.000 2.068 275 I HA -0.353 3.814 4.170 -0.006 0.000 0.238 275 I C 2.708 178.708 176.117 -0.195 0.000 1.046 275 I CA 1.435 62.380 61.300 -0.591 0.000 1.306 275 I CB -0.399 37.200 38.000 -0.668 0.000 1.023 275 I HN 0.142 nan 8.210 nan 0.000 0.399 276 Q N 0.127 119.823 119.800 -0.173 0.000 2.112 276 Q HA -0.263 4.073 4.340 -0.006 0.000 0.206 276 Q C 2.116 178.077 176.000 -0.065 0.000 0.987 276 Q CA 1.845 57.582 55.803 -0.110 0.000 0.858 276 Q CB -0.435 28.224 28.738 -0.132 0.000 0.905 276 Q HN 0.549 nan 8.270 nan 0.000 0.420 277 N N 0.205 118.903 118.700 -0.003 0.000 2.028 277 N HA -0.152 4.584 4.740 -0.006 0.000 0.194 277 N C 1.614 177.157 175.510 0.054 0.000 1.050 277 N CA 2.132 55.211 53.050 0.050 0.000 0.848 277 N CB -0.340 38.280 38.487 0.220 0.000 1.038 277 N HN 0.084 nan 8.380 nan 0.000 0.423 278 T N 2.159 116.796 114.554 0.138 0.000 2.653 278 T HA -0.189 4.157 4.350 -0.006 0.000 0.267 278 T C 2.101 176.818 174.700 0.029 0.000 1.037 278 T CA 1.853 64.047 62.100 0.157 0.000 1.159 278 T CB -0.366 68.757 68.868 0.425 0.000 0.859 278 T HN 0.257 nan 8.240 nan 0.000 0.449 279 I N 1.070 121.667 120.570 0.044 0.000 2.058 279 I HA -0.170 3.997 4.170 -0.006 0.000 0.235 279 I C 2.130 178.225 176.117 -0.037 0.000 1.053 279 I CA 1.259 62.562 61.300 0.003 0.000 1.313 279 I CB -0.391 37.614 38.000 0.009 0.000 1.039 279 I HN 0.421 nan 8.210 nan 0.000 0.396 280 C N 0.514 119.787 119.300 -0.045 0.000 3.093 280 C HA 0.681 5.137 4.460 -0.006 0.000 0.515 280 C C 1.191 176.144 174.990 -0.061 0.000 1.253 280 C CA -0.140 58.844 59.018 -0.057 0.000 1.476 280 C CB -1.685 26.012 27.740 -0.072 0.000 1.873 280 C HN 0.488 nan 8.230 nan 0.000 0.632 281 A N 0.585 123.360 122.820 -0.076 0.000 2.004 281 A HA 0.368 4.684 4.320 -0.006 0.000 0.175 281 A C 1.184 178.664 177.584 -0.174 0.000 1.902 281 A CA 0.169 52.152 52.037 -0.091 0.000 1.457 281 A CB -0.038 18.926 19.000 -0.060 0.000 1.593 281 A HN 0.518 nan 8.150 nan 0.000 0.363 282 L N -0.635 120.463 121.223 -0.209 0.000 2.948 282 L HA 0.192 4.528 4.340 -0.006 0.000 0.259 282 L C 1.632 178.422 176.870 -0.134 0.000 1.136 282 L CA 0.502 55.173 54.840 -0.281 0.000 0.959 282 L CB 0.469 42.225 42.059 -0.505 0.000 1.370 282 L HN 0.279 nan 8.230 nan 0.000 0.552 283 D N 1.695 122.048 120.400 -0.079 0.000 2.116 283 D HA -0.222 4.414 4.640 -0.006 0.000 0.193 283 D C 1.767 178.067 176.300 -0.000 0.000 0.998 283 D CA 1.647 55.640 54.000 -0.011 0.000 0.836 283 D CB 0.303 41.097 40.800 -0.010 0.000 0.951 283 D HN 0.140 nan 8.370 nan 0.000 0.449 284 K N -0.761 119.621 120.400 -0.030 0.000 2.432 284 K HA 0.140 4.456 4.320 -0.006 0.000 0.196 284 K C 1.553 178.133 176.600 -0.034 0.000 1.038 284 K CA 0.371 56.641 56.287 -0.030 0.000 0.986 284 K CB 0.411 32.890 32.500 -0.035 0.000 0.782 284 K HN -0.076 nan 8.250 nan 0.000 0.485 285 S N -0.091 115.585 115.700 -0.040 0.000 2.539 285 S HA 0.186 4.652 4.470 -0.006 0.000 0.221 285 S C -0.639 173.972 174.600 0.018 0.000 0.987 285 S CA -0.458 57.714 58.200 -0.045 0.000 0.929 285 S CB 0.184 63.317 63.200 -0.110 0.000 0.832 285 S HN 0.188 nan 8.310 nan 0.000 0.492 286 F N 3.201 123.069 119.950 -0.136 0.000 2.507 286 F HA 0.498 5.021 4.527 -0.006 0.000 0.328 286 F C -2.866 172.876 175.800 -0.096 0.000 1.136 286 F CA -2.544 55.379 58.000 -0.128 0.000 0.930 286 F CB 1.040 39.940 39.000 -0.167 0.000 1.166 286 F HN -0.157 nan 8.300 nan 0.000 0.436 287 P HA -0.120 nan 4.420 nan 0.000 0.261 287 P C -0.891 176.207 177.300 -0.336 0.000 1.158 287 P CA 0.509 63.326 63.100 -0.471 0.000 0.758 287 P CB 0.383 31.638 31.700 -0.741 0.000 0.763 288 D N 2.347 122.656 120.400 -0.152 0.000 2.358 288 D HA 0.013 4.649 4.640 -0.006 0.000 0.258 288 D C 0.763 177.016 176.300 -0.079 0.000 1.223 288 D CA -0.318 53.640 54.000 -0.070 0.000 0.886 288 D CB 0.213 40.995 40.800 -0.030 0.000 1.120 288 D HN 0.396 nan 8.370 nan 0.000 0.482 289 C N 1.845 121.121 119.300 -0.039 0.000 2.780 289 C HA 0.588 5.044 4.460 -0.006 0.000 0.267 289 C C 1.714 176.712 174.990 0.012 0.000 1.266 289 C CA 0.172 59.176 59.018 -0.023 0.000 1.709 289 C CB -0.668 27.079 27.740 0.010 0.000 1.975 289 C HN 0.729 nan 8.230 nan 0.000 0.582 290 G N 0.910 109.721 108.800 0.019 0.000 2.213 290 G HA2 -0.186 3.770 3.960 -0.006 0.000 0.236 290 G HA3 -0.186 3.770 3.960 -0.006 0.000 0.236 290 G C 0.218 175.138 174.900 0.033 0.000 0.991 290 G CA -0.062 45.052 45.100 0.023 0.000 0.629 290 G HN 0.667 nan 8.290 nan 0.000 0.517 291 R N 0.341 120.870 120.500 0.049 0.000 2.679 291 R HA 0.581 4.917 4.340 -0.006 0.000 0.269 291 R C 0.552 176.888 176.300 0.061 0.000 1.076 291 R CA 0.654 56.792 56.100 0.064 0.000 1.160 291 R CB 0.455 30.809 30.300 0.090 0.000 1.054 291 R HN 0.655 nan 8.270 nan 0.000 0.507 292 I N -2.654 117.954 120.570 0.063 0.000 2.828 292 I HA 0.629 4.796 4.170 -0.006 0.000 0.302 292 I C 0.705 176.864 176.117 0.069 0.000 1.101 292 I CA -0.591 60.744 61.300 0.058 0.000 1.031 292 I CB 2.080 40.107 38.000 0.045 0.000 1.231 292 I HN 0.746 nan 8.210 nan 0.000 0.427 293 G N 3.257 112.093 108.800 0.060 0.000 2.629 293 G HA2 -0.309 3.647 3.960 -0.006 0.000 0.313 293 G HA3 -0.309 3.647 3.960 -0.006 0.000 0.313 293 G C 0.872 175.816 174.900 0.074 0.000 1.217 293 G CA 1.022 46.149 45.100 0.045 0.000 0.994 293 G HN 1.515 nan 8.290 nan 0.000 0.549 294 G N -0.292 108.534 108.800 0.042 0.000 2.599 294 G HA2 -0.179 3.777 3.960 -0.006 0.000 0.219 294 G HA3 -0.179 3.777 3.960 -0.006 0.000 0.219 294 G C 1.574 176.596 174.900 0.202 0.000 1.193 294 G CA 1.875 47.014 45.100 0.067 0.000 0.778 294 G HN 0.841 nan 8.290 nan 0.000 0.589 295 E N -0.235 120.064 120.200 0.165 0.000 2.072 295 E HA -0.107 4.239 4.350 -0.006 0.000 0.191 295 E C 2.617 179.349 176.600 0.221 0.000 0.985 295 E CA 0.815 57.337 56.400 0.204 0.000 0.801 295 E CB -0.114 29.677 29.700 0.151 0.000 0.750 295 E HN 0.232 nan 8.360 nan 0.000 0.452 296 R N 0.890 121.490 120.500 0.166 0.000 2.103 296 R HA -0.237 4.099 4.340 -0.006 0.000 0.242 296 R C 2.144 178.527 176.300 0.139 0.000 1.142 296 R CA 1.696 57.879 56.100 0.138 0.000 0.960 296 R CB -0.974 29.389 30.300 0.104 0.000 0.858 296 R HN 0.318 nan 8.270 nan 0.000 0.439 297 Y N -0.202 120.140 120.300 0.070 0.000 2.070 297 Y HA -0.260 4.286 4.550 -0.007 0.000 0.280 297 Y C 1.924 177.897 175.900 0.123 0.000 1.148 297 Y CA 2.188 60.329 58.100 0.068 0.000 1.125 297 Y CB -1.033 37.456 38.460 0.048 0.000 0.975 297 Y HN 0.149 nan 8.280 nan 0.000 0.492 298 F N 0.756 120.607 119.950 -0.166 0.000 2.202 298 F HA -0.143 4.380 4.527 -0.007 0.000 0.301 298 F C 2.327 178.043 175.800 -0.139 0.000 1.082 298 F CA 1.387 59.239 58.000 -0.246 0.000 1.313 298 F CB -0.804 38.228 39.000 0.054 0.000 1.024 298 F HN 0.200 nan 8.300 nan 0.000 0.495 299 A N 0.501 123.329 122.820 0.014 0.000 1.873 299 A HA -0.132 4.184 4.320 -0.006 0.000 0.215 299 A C 2.285 179.751 177.584 -0.198 0.000 1.186 299 A CA 1.832 53.866 52.037 -0.006 0.000 0.616 299 A CB -1.108 17.968 19.000 0.127 0.000 0.823 299 A HN 0.434 nan 8.150 nan 0.000 0.442 300 I N -0.090 120.286 120.570 -0.324 0.000 2.163 300 I HA -0.256 3.910 4.170 -0.006 0.000 0.243 300 I C 2.626 178.483 176.117 -0.434 0.000 1.085 300 I CA 1.824 62.719 61.300 -0.674 0.000 1.347 300 I CB -0.748 36.946 38.000 -0.510 0.000 1.044 300 I HN 0.298 nan 8.210 nan 0.000 0.408 301 T N 0.920 115.268 114.554 -0.343 0.000 2.652 301 T HA -0.227 4.119 4.350 -0.006 0.000 0.267 301 T C 2.077 176.663 174.700 -0.190 0.000 1.039 301 T CA 1.581 63.514 62.100 -0.278 0.000 1.153 301 T CB -0.514 67.941 68.868 -0.688 0.000 0.863 301 T HN 0.493 nan 8.240 nan 0.000 0.428 302 A N 1.372 124.003 122.820 -0.316 0.000 1.940 302 A HA 0.100 4.417 4.320 -0.006 0.000 0.219 302 A C 2.620 180.253 177.584 0.080 0.000 1.176 302 A CA 1.870 53.830 52.037 -0.128 0.000 0.631 302 A CB -1.298 17.593 19.000 -0.182 0.000 0.814 302 A HN 0.542 nan 8.150 nan 0.000 0.446 303 G N -1.002 107.799 108.800 0.002 0.000 2.408 303 G HA2 0.099 4.055 3.960 -0.006 0.000 0.215 303 G HA3 0.099 4.055 3.960 -0.006 0.000 0.215 303 G C 1.397 176.334 174.900 0.061 0.000 1.156 303 G CA 0.956 46.144 45.100 0.146 0.000 0.793 303 G HN 0.431 nan 8.290 nan 0.000 0.535 304 L N -0.842 120.338 121.223 -0.071 0.000 2.642 304 L HA 0.354 4.691 4.340 -0.006 0.000 0.233 304 L C 0.669 177.605 176.870 0.109 0.000 1.077 304 L CA -0.312 54.540 54.840 0.021 0.000 0.879 304 L CB 0.286 42.325 42.059 -0.033 0.000 1.151 304 L HN -0.130 nan 8.230 nan 0.000 0.495 305 R N 2.118 122.664 120.500 0.076 0.000 2.429 305 R HA 0.217 4.553 4.340 -0.006 0.000 0.302 305 R C 0.859 177.144 176.300 -0.025 0.000 1.268 305 R CA 0.073 56.172 56.100 -0.001 0.000 1.090 305 R CB 0.264 30.512 30.300 -0.086 0.000 1.102 305 R HN 0.317 nan 8.270 nan 0.000 0.522 306 L N 0.486 121.661 121.223 -0.081 0.000 2.209 306 L HA -0.057 4.279 4.340 -0.006 0.000 0.207 306 L C 1.089 177.863 176.870 -0.160 0.000 1.094 306 L CA 0.696 55.408 54.840 -0.213 0.000 0.790 306 L CB -0.230 41.728 42.059 -0.168 0.000 0.932 306 L HN 0.443 nan 8.230 nan 0.000 0.447 307 D N 0.509 120.876 120.400 -0.054 0.000 2.387 307 D HA 0.110 4.746 4.640 -0.006 0.000 0.251 307 D C -0.130 176.184 176.300 0.024 0.000 1.141 307 D CA -0.542 53.441 54.000 -0.028 0.000 0.987 307 D CB 0.690 41.489 40.800 -0.001 0.000 1.116 307 D HN 0.168 nan 8.370 nan 0.000 0.491 308 Q N -0.152 119.669 119.800 0.035 0.000 2.212 308 Q HA 0.498 4.834 4.340 -0.006 0.000 0.238 308 Q C 0.778 176.828 176.000 0.083 0.000 0.955 308 Q CA -1.163 54.718 55.803 0.131 0.000 0.906 308 Q CB 0.506 29.293 28.738 0.082 0.000 1.215 308 Q HN 0.564 nan 8.270 nan 0.000 0.478 309 G N 0.615 109.462 108.800 0.079 0.000 2.597 309 G HA2 -0.036 3.920 3.960 -0.006 0.000 0.283 309 G HA3 -0.036 3.920 3.960 -0.006 0.000 0.283 309 G C -0.599 174.291 174.900 -0.016 0.000 1.319 309 G CA -0.477 44.625 45.100 0.004 0.000 1.054 309 G HN 0.610 nan 8.290 nan 0.000 0.583 310 R N -0.384 120.085 120.500 -0.051 0.000 2.415 310 R HA 0.457 4.793 4.340 -0.006 0.000 0.292 310 R C 1.103 177.346 176.300 -0.096 0.000 1.295 310 R CA 0.576 56.640 56.100 -0.060 0.000 1.137 310 R CB 0.162 30.425 30.300 -0.061 0.000 1.135 310 R HN 1.102 nan 8.270 nan 0.000 0.560 311 G N 4.310 113.067 108.800 -0.071 0.000 5.186 311 G HA2 -0.518 3.438 3.960 -0.006 0.000 0.291 311 G HA3 -0.518 3.438 3.960 -0.006 0.000 0.291 311 G C 1.093 175.916 174.900 -0.128 0.000 1.394 311 G CA 0.774 45.823 45.100 -0.084 0.000 1.121 311 G HN 0.647 nan 8.290 nan 0.000 0.802 312 R N 1.366 121.713 120.500 -0.255 0.000 2.092 312 R HA 0.405 4.741 4.340 -0.006 0.000 0.231 312 R C 1.365 177.511 176.300 -0.256 0.000 1.119 312 R CA 1.713 57.548 56.100 -0.441 0.000 0.970 312 R CB -0.313 29.420 30.300 -0.946 0.000 0.864 312 R HN 1.999 nan 8.270 nan 0.000 0.440 313 G N -0.322 108.375 108.800 -0.173 0.000 2.352 313 G HA2 0.101 4.057 3.960 -0.006 0.000 0.302 313 G HA3 0.101 4.057 3.960 -0.006 0.000 0.302 313 G C -0.496 174.360 174.900 -0.072 0.000 1.370 313 G CA -0.356 44.703 45.100 -0.068 0.000 0.918 313 G HN 0.049 nan 8.290 nan 0.000 0.610 314 L N 0.452 121.648 121.223 -0.044 0.000 2.027 314 L HA 0.592 4.929 4.340 -0.006 0.000 0.206 314 L C 1.661 178.473 176.870 -0.097 0.000 1.074 314 L CA 2.889 57.676 54.840 -0.089 0.000 0.745 314 L CB -0.437 41.522 42.059 -0.167 0.000 0.898 314 L HN 1.514 nan 8.230 nan 0.000 0.433 315 A N -1.456 121.325 122.820 -0.065 0.000 2.340 315 A HA 0.609 4.925 4.320 -0.006 0.000 0.297 315 A C 0.821 178.394 177.584 -0.020 0.000 1.195 315 A CA -0.084 51.927 52.037 -0.042 0.000 0.769 315 A CB 0.110 19.093 19.000 -0.029 0.000 1.163 315 A HN 0.755 nan 8.150 nan 0.000 0.472 316 G N 1.796 110.587 108.800 -0.014 0.000 2.686 316 G HA2 -0.379 3.577 3.960 -0.006 0.000 0.329 316 G HA3 -0.379 3.577 3.960 -0.006 0.000 0.329 316 G C 0.519 175.359 174.900 -0.100 0.000 1.187 316 G CA 1.439 46.553 45.100 0.023 0.000 0.965 316 G HN 1.046 nan 8.290 nan 0.000 0.549 317 W N 2.868 124.177 121.300 0.016 0.000 3.005 317 W HA 0.480 5.136 4.660 -0.007 0.000 0.374 317 W C 1.276 177.832 176.519 0.061 0.000 1.076 317 W CA 0.094 57.467 57.345 0.048 0.000 1.794 317 W CB 0.383 29.886 29.460 0.072 0.000 1.113 317 W HN 0.625 nan 8.180 nan 0.000 0.584 318 R N -0.549 120.051 120.500 0.167 0.000 2.670 318 R HA 0.796 5.132 4.340 -0.006 0.000 0.289 318 R C -0.580 175.769 176.300 0.082 0.000 0.965 318 R CA -0.674 55.504 56.100 0.129 0.000 0.899 318 R CB 1.357 31.596 30.300 -0.100 0.000 1.173 318 R HN -0.314 nan 8.270 nan 0.000 0.456 319 T N 3.632 118.283 114.554 0.161 0.000 2.892 319 T HA 0.345 4.691 4.350 -0.006 0.000 0.311 319 T C -2.582 172.268 174.700 0.251 0.000 1.033 319 T CA -1.561 60.634 62.100 0.157 0.000 0.991 319 T CB 1.650 70.620 68.868 0.170 0.000 0.981 319 T HN 0.411 nan 8.240 nan 0.000 0.457 320 P HA 0.445 nan 4.420 nan 0.000 0.275 320 P C -0.912 176.645 177.300 0.429 0.000 1.227 320 P CA -0.503 62.764 63.100 0.278 0.000 0.781 320 P CB 0.266 32.266 31.700 0.500 0.000 0.906 321 F N -0.667 119.444 119.950 0.268 0.000 2.576 321 F HA 0.818 5.341 4.527 -0.006 0.000 0.313 321 F C 0.453 176.119 175.800 -0.223 0.000 1.078 321 F CA -1.076 57.038 58.000 0.190 0.000 0.921 321 F CB 0.812 39.899 39.000 0.144 0.000 1.232 321 F HN 0.359 nan 8.300 nan 0.000 0.459 322 G N 0.638 109.376 108.800 -0.102 0.000 2.494 322 G HA2 0.557 4.513 3.960 -0.006 0.000 0.270 322 G HA3 0.557 4.513 3.960 -0.006 0.000 0.270 322 G C -2.880 172.098 174.900 0.131 0.000 1.423 322 G CA -1.673 43.214 45.100 -0.354 0.000 1.055 322 G HN 0.530 nan 8.290 nan 0.000 0.536 323 P HA 0.312 nan 4.420 nan 0.000 0.274 323 P C -0.464 177.040 177.300 0.340 0.000 1.231 323 P CA -0.242 62.963 63.100 0.175 0.000 0.790 323 P CB 0.214 32.040 31.700 0.210 0.000 0.951 324 F N -0.011 119.999 119.950 0.102 0.000 2.973 324 F HA -0.204 4.318 4.527 -0.007 0.000 0.299 324 F C 1.360 177.182 175.800 0.036 0.000 0.737 324 F CA 1.254 59.285 58.000 0.052 0.000 1.151 324 F CB -2.621 36.396 39.000 0.028 0.000 1.440 324 F HN 0.671 nan 8.300 nan 0.000 0.367 325 G N -0.234 108.673 108.800 0.179 0.000 2.198 325 G HA2 -0.133 3.823 3.960 -0.006 0.000 0.257 325 G HA3 -0.133 3.823 3.960 -0.006 0.000 0.257 325 G C -0.065 174.895 174.900 0.099 0.000 1.042 325 G CA -0.133 44.937 45.100 -0.049 0.000 0.791 325 G HN 0.730 nan 8.290 nan 0.000 0.502 326 V N 0.814 120.882 119.914 0.257 0.000 2.614 326 V HA 0.529 4.645 4.120 -0.006 0.000 0.291 326 V C 1.427 177.738 176.094 0.363 0.000 1.049 326 V CA 0.200 62.659 62.300 0.265 0.000 1.038 326 V CB 1.510 33.500 31.823 0.278 0.000 0.980 326 V HN 1.020 nan 8.190 nan 0.000 0.481 327 S N 3.957 119.835 115.700 0.296 0.000 2.568 327 S HA -0.010 4.456 4.470 -0.006 0.000 0.282 327 S C 1.461 176.297 174.600 0.394 0.000 1.338 327 S CA 0.251 58.656 58.200 0.342 0.000 1.045 327 S CB 0.389 63.712 63.200 0.205 0.000 0.873 327 S HN 0.974 nan 8.310 nan 0.000 0.516 328 H N 2.881 122.119 119.070 0.280 0.000 2.421 328 H HA -0.049 4.503 4.556 -0.007 0.000 0.298 328 H C 1.577 176.934 175.328 0.049 0.000 1.087 328 H CA 1.976 58.063 56.048 0.064 0.000 1.330 328 H CB -1.495 28.124 29.762 -0.237 0.000 1.388 328 H HN 0.649 nan 8.280 nan 0.000 0.526 329 T N 1.722 115.980 114.554 -0.493 0.000 2.674 329 T HA -0.130 4.216 4.350 -0.006 0.000 0.265 329 T C 1.456 176.168 174.700 0.020 0.000 1.039 329 T CA 1.522 63.445 62.100 -0.295 0.000 1.150 329 T CB -0.272 68.427 68.868 -0.282 0.000 0.864 329 T HN 0.368 nan 8.240 nan 0.000 0.427 330 D N 0.918 121.362 120.400 0.073 0.000 2.149 330 D HA -0.099 4.537 4.640 -0.006 0.000 0.194 330 D C 2.188 178.592 176.300 0.173 0.000 1.001 330 D CA 0.742 54.820 54.000 0.131 0.000 0.849 330 D CB -0.701 40.187 40.800 0.146 0.000 0.939 330 D HN 0.214 nan 8.370 nan 0.000 0.449 331 V N 0.607 120.647 119.914 0.211 0.000 2.295 331 V HA -0.231 3.885 4.120 -0.006 0.000 0.246 331 V C 2.141 178.348 176.094 0.188 0.000 1.049 331 V CA 1.386 63.830 62.300 0.240 0.000 1.024 331 V CB -0.617 31.399 31.823 0.321 0.000 0.648 331 V HN 0.102 nan 8.190 nan 0.000 0.447 332 F N 0.575 120.540 119.950 0.024 0.000 2.095 332 F HA -0.276 4.247 4.527 -0.006 0.000 0.298 332 F C 2.623 178.446 175.800 0.038 0.000 1.104 332 F CA 2.376 60.384 58.000 0.014 0.000 1.232 332 F CB -0.263 38.719 39.000 -0.030 0.000 0.987 332 F HN 0.096 nan 8.300 nan 0.000 0.475 333 Q N 0.197 120.152 119.800 0.259 0.000 2.045 333 Q HA -0.263 4.073 4.340 -0.006 0.000 0.206 333 Q C 2.340 178.373 176.000 0.055 0.000 0.991 333 Q CA 2.503 58.407 55.803 0.167 0.000 0.851 333 Q CB -0.189 28.643 28.738 0.156 0.000 0.911 333 Q HN 0.535 nan 8.270 nan 0.000 0.418 334 R N -0.439 120.114 120.500 0.088 0.000 2.200 334 R HA 0.007 4.343 4.340 -0.006 0.000 0.208 334 R C 1.995 178.310 176.300 0.024 0.000 1.033 334 R CA 0.552 56.715 56.100 0.104 0.000 1.000 334 R CB -0.236 30.193 30.300 0.215 0.000 0.906 334 R HN 0.257 nan 8.270 nan 0.000 0.462 335 L N 1.332 122.536 121.223 -0.031 0.000 2.240 335 L HA -0.009 4.327 4.340 -0.006 0.000 0.211 335 L C 2.705 179.452 176.870 -0.204 0.000 1.106 335 L CA 1.082 55.847 54.840 -0.126 0.000 0.793 335 L CB -0.304 41.700 42.059 -0.093 0.000 0.927 335 L HN 0.348 nan 8.230 nan 0.000 0.446 336 E N 0.780 120.817 120.200 -0.271 0.000 2.028 336 E HA -0.270 4.076 4.350 -0.006 0.000 0.191 336 E C 2.237 178.755 176.600 -0.137 0.000 0.988 336 E CA 1.272 57.509 56.400 -0.271 0.000 0.799 336 E CB -0.026 29.481 29.700 -0.321 0.000 0.755 336 E HN 0.300 nan 8.360 nan 0.000 0.447 337 L N 1.089 122.257 121.223 -0.091 0.000 2.042 337 L HA -0.159 4.178 4.340 -0.006 0.000 0.210 337 L C 2.333 179.153 176.870 -0.082 0.000 1.076 337 L CA 1.464 56.273 54.840 -0.052 0.000 0.749 337 L CB -0.688 41.363 42.059 -0.014 0.000 0.893 337 L HN 0.294 nan 8.230 nan 0.000 0.432 338 L N -0.066 121.083 121.223 -0.125 0.000 2.027 338 L HA 0.071 4.407 4.340 -0.006 0.000 0.206 338 L C 2.377 179.119 176.870 -0.213 0.000 1.074 338 L CA 2.083 56.811 54.840 -0.186 0.000 0.745 338 L CB -1.529 40.363 42.059 -0.280 0.000 0.898 338 L HN 0.307 nan 8.230 nan 0.000 0.433 339 G N -0.940 107.748 108.800 -0.187 0.000 2.440 339 G HA2 -0.344 3.612 3.960 -0.006 0.000 0.218 339 G HA3 -0.344 3.612 3.960 -0.006 0.000 0.218 339 G C 1.424 176.259 174.900 -0.109 0.000 1.154 339 G CA 0.835 45.832 45.100 -0.172 0.000 0.767 339 G HN 0.508 nan 8.290 nan 0.000 0.552 340 D N 1.406 121.764 120.400 -0.070 0.000 2.106 340 D HA -0.149 4.487 4.640 -0.006 0.000 0.191 340 D C 2.718 179.004 176.300 -0.024 0.000 0.997 340 D CA 1.595 55.586 54.000 -0.015 0.000 0.834 340 D CB -0.418 40.377 40.800 -0.009 0.000 0.956 340 D HN 0.250 nan 8.370 nan 0.000 0.448 341 A N 0.288 123.065 122.820 -0.070 0.000 2.019 341 A HA -0.093 4.223 4.320 -0.006 0.000 0.219 341 A C 2.455 179.989 177.584 -0.082 0.000 1.164 341 A CA 2.072 54.064 52.037 -0.075 0.000 0.644 341 A CB -0.479 18.452 19.000 -0.115 0.000 0.805 341 A HN 0.348 nan 8.150 nan 0.000 0.449 342 V N -3.283 116.538 119.914 -0.156 0.000 3.590 342 V HA 0.131 4.247 4.120 -0.006 0.000 0.265 342 V C 1.938 178.032 176.094 0.000 0.000 1.239 342 V CA 0.982 63.185 62.300 -0.161 0.000 1.117 342 V CB -0.266 31.209 31.823 -0.581 0.000 0.818 342 V HN 0.265 nan 8.190 nan 0.000 0.451 343 L N 2.963 124.199 121.223 0.021 0.000 2.005 343 L HA 0.292 4.628 4.340 -0.006 0.000 0.207 343 L C 2.450 179.391 176.870 0.120 0.000 1.072 343 L CA 2.580 57.487 54.840 0.112 0.000 0.744 343 L CB -1.439 40.712 42.059 0.152 0.000 0.895 343 L HN 0.295 nan 8.230 nan 0.000 0.433 344 G N -0.973 107.885 108.800 0.096 0.000 2.469 344 G HA2 -0.379 3.577 3.960 -0.006 0.000 0.220 344 G HA3 -0.379 3.577 3.960 -0.006 0.000 0.220 344 G C 1.565 176.532 174.900 0.112 0.000 1.136 344 G CA 1.101 46.259 45.100 0.096 0.000 0.759 344 G HN 0.494 nan 8.290 nan 0.000 0.562 345 F N 1.345 121.294 119.950 -0.003 0.000 2.084 345 F HA 0.078 4.600 4.527 -0.007 0.000 0.296 345 F C 2.495 178.325 175.800 0.049 0.000 1.111 345 F CA 1.020 59.023 58.000 0.005 0.000 1.224 345 F CB -0.386 38.586 39.000 -0.047 0.000 0.991 345 F HN 0.102 nan 8.300 nan 0.000 0.471 346 I N -0.134 120.282 120.570 -0.256 0.000 2.151 346 I HA -0.335 3.831 4.170 -0.006 0.000 0.243 346 I C 2.332 178.353 176.117 -0.160 0.000 1.080 346 I CA 1.546 62.691 61.300 -0.258 0.000 1.339 346 I CB -0.713 37.334 38.000 0.078 0.000 1.039 346 I HN 0.050 nan 8.210 nan 0.000 0.409 347 V N 0.213 120.152 119.914 0.041 0.000 2.427 347 V HA -0.265 3.851 4.120 -0.006 0.000 0.248 347 V C 2.468 178.558 176.094 -0.006 0.000 1.051 347 V CA 2.339 64.744 62.300 0.176 0.000 1.048 347 V CB -0.764 31.220 31.823 0.269 0.000 0.666 347 V HN 0.473 nan 8.190 nan 0.000 0.456 348 T N 0.306 114.814 114.554 -0.076 0.000 2.746 348 T HA -0.156 4.190 4.350 -0.006 0.000 0.267 348 T C 2.010 176.590 174.700 -0.200 0.000 1.039 348 T CA 1.675 63.715 62.100 -0.100 0.000 1.142 348 T CB -0.338 68.499 68.868 -0.052 0.000 0.866 348 T HN 0.572 nan 8.240 nan 0.000 0.444 349 A N 1.400 124.019 122.820 -0.335 0.000 1.968 349 A HA -0.032 4.284 4.320 -0.006 0.000 0.217 349 A C 2.399 179.802 177.584 -0.302 0.000 1.169 349 A CA 0.907 52.765 52.037 -0.298 0.000 0.638 349 A CB -0.216 18.539 19.000 -0.409 0.000 0.812 349 A HN 0.205 nan 8.150 nan 0.000 0.446 350 R N -0.473 119.734 120.500 -0.489 0.000 2.100 350 R HA 0.141 4.477 4.340 -0.006 0.000 0.220 350 R C 2.033 177.927 176.300 -0.678 0.000 1.091 350 R CA 0.741 56.347 56.100 -0.823 0.000 0.986 350 R CB -0.857 28.377 30.300 -1.776 0.000 0.888 350 R HN 0.539 nan 8.270 nan 0.000 0.444 351 L N 0.632 121.600 121.223 -0.426 0.000 2.083 351 L HA -0.184 4.152 4.340 -0.006 0.000 0.209 351 L C 2.333 179.161 176.870 -0.070 0.000 1.083 351 L CA 0.686 55.464 54.840 -0.103 0.000 0.752 351 L CB -0.471 41.646 42.059 0.097 0.000 0.899 351 L HN 0.084 nan 8.230 nan 0.000 0.433 352 L N -0.545 120.597 121.223 -0.135 0.000 2.129 352 L HA -0.267 4.069 4.340 -0.006 0.000 0.212 352 L C 2.240 179.079 176.870 -0.051 0.000 1.087 352 L CA 1.799 56.550 54.840 -0.149 0.000 0.757 352 L CB -0.495 41.401 42.059 -0.271 0.000 0.896 352 L HN 0.366 nan 8.230 nan 0.000 0.434 353 C N -2.855 116.384 119.300 -0.101 0.000 2.700 353 C HA 0.191 4.647 4.460 -0.006 0.000 0.297 353 C C 2.356 177.209 174.990 -0.229 0.000 1.293 353 C CA -0.292 58.666 59.018 -0.101 0.000 1.756 353 C CB -0.457 27.221 27.740 -0.104 0.000 2.210 353 C HN 0.521 nan 8.230 nan 0.000 0.553 354 L N 0.219 121.231 121.223 -0.351 0.000 2.141 354 L HA 0.173 4.509 4.340 -0.006 0.000 0.209 354 L C -0.009 176.446 176.870 -0.692 0.000 1.094 354 L CA 1.996 56.507 54.840 -0.549 0.000 0.763 354 L CB -0.446 41.217 42.059 -0.661 0.000 0.908 354 L HN 0.254 nan 8.230 nan 0.000 0.437 355 F N 0.774 120.686 119.950 -0.064 0.000 2.550 355 F HA 0.429 4.953 4.527 -0.005 0.000 0.348 355 F C -1.582 174.171 175.800 -0.079 0.000 1.219 355 F CA -2.240 55.727 58.000 -0.055 0.000 1.203 355 F CB 0.297 39.276 39.000 -0.037 0.000 1.436 355 F HN -0.060 nan 8.300 nan 0.000 0.541 356 P HA -0.137 nan 4.420 nan 0.000 0.223 356 P C 0.946 178.200 177.300 -0.076 0.000 1.151 356 P CA 1.293 64.273 63.100 -0.201 0.000 0.787 356 P CB 0.496 31.796 31.700 -0.667 0.000 0.788 357 D N -0.231 120.233 120.400 0.106 0.000 2.327 357 D HA 0.121 4.757 4.640 -0.006 0.000 0.205 357 D C 0.624 177.021 176.300 0.161 0.000 0.989 357 D CA -0.056 54.112 54.000 0.280 0.000 0.873 357 D CB -0.317 40.675 40.800 0.320 0.000 0.955 357 D HN -0.029 nan 8.370 nan 0.000 0.515 358 A N 0.485 123.375 122.820 0.116 0.000 2.587 358 A HA 0.267 4.583 4.320 -0.006 0.000 0.235 358 A C 0.763 178.368 177.584 0.035 0.000 1.044 358 A CA 0.332 52.398 52.037 0.049 0.000 0.754 358 A CB -0.122 18.892 19.000 0.024 0.000 0.968 358 A HN 0.395 nan 8.150 nan 0.000 0.509 359 S N 1.973 117.679 115.700 0.010 0.000 2.573 359 S HA 0.188 4.655 4.470 -0.006 0.000 0.277 359 S C 1.170 175.762 174.600 -0.012 0.000 1.346 359 S CA -0.249 57.952 58.200 0.001 0.000 1.034 359 S CB 0.952 64.145 63.200 -0.010 0.000 0.879 359 S HN 0.833 nan 8.310 nan 0.000 0.528 360 V N 3.236 123.142 119.914 -0.013 0.000 2.453 360 V HA -0.161 3.955 4.120 -0.006 0.000 0.252 360 V C 2.713 178.797 176.094 -0.016 0.000 1.068 360 V CA 2.370 64.659 62.300 -0.019 0.000 1.070 360 V CB -1.879 29.938 31.823 -0.009 0.000 0.664 360 V HN 1.093 nan 8.190 nan 0.000 0.461 361 G N 0.406 109.196 108.800 -0.016 0.000 2.514 361 G HA2 -0.365 3.591 3.960 -0.006 0.000 0.217 361 G HA3 -0.365 3.591 3.960 -0.006 0.000 0.217 361 G C 1.767 176.649 174.900 -0.029 0.000 1.198 361 G CA 1.982 47.071 45.100 -0.018 0.000 0.780 361 G HN 0.592 nan 8.290 nan 0.000 0.565 362 T N -0.972 113.557 114.554 -0.043 0.000 3.043 362 T HA 0.198 4.544 4.350 -0.006 0.000 0.263 362 T C 2.427 177.085 174.700 -0.070 0.000 1.094 362 T CA 0.687 62.746 62.100 -0.067 0.000 1.127 362 T CB -0.122 68.688 68.868 -0.097 0.000 0.905 362 T HN 0.165 nan 8.240 nan 0.000 0.490 363 L N 0.740 121.935 121.223 -0.046 0.000 1.989 363 L HA -0.091 4.245 4.340 -0.006 0.000 0.211 363 L C 2.940 179.802 176.870 -0.014 0.000 1.071 363 L CA 1.279 56.104 54.840 -0.025 0.000 0.749 363 L CB -0.676 41.367 42.059 -0.025 0.000 0.890 363 L HN 0.161 nan 8.230 nan 0.000 0.431 364 V N -0.072 119.834 119.914 -0.013 0.000 2.252 364 V HA -0.353 3.763 4.120 -0.006 0.000 0.249 364 V C 2.366 178.456 176.094 -0.006 0.000 1.056 364 V CA 2.169 64.467 62.300 -0.002 0.000 1.022 364 V CB -0.608 31.216 31.823 0.001 0.000 0.641 364 V HN 0.483 nan 8.190 nan 0.000 0.445 365 E N -0.161 120.026 120.200 -0.021 0.000 2.114 365 E HA -0.267 4.079 4.350 -0.006 0.000 0.199 365 E C 2.149 178.729 176.600 -0.034 0.000 1.008 365 E CA 1.638 58.020 56.400 -0.031 0.000 0.810 365 E CB -0.280 29.392 29.700 -0.047 0.000 0.739 365 E HN 0.527 nan 8.360 nan 0.000 0.456 366 L N 0.658 121.857 121.223 -0.041 0.000 2.156 366 L HA -0.138 4.198 4.340 -0.006 0.000 0.208 366 L C 2.586 179.469 176.870 0.022 0.000 1.095 366 L CA 0.921 55.740 54.840 -0.034 0.000 0.770 366 L CB -0.298 41.728 42.059 -0.056 0.000 0.914 366 L HN 0.066 nan 8.230 nan 0.000 0.439 367 K N 0.424 120.847 120.400 0.037 0.000 2.002 367 K HA -0.190 4.126 4.320 -0.006 0.000 0.209 367 K C 2.095 178.722 176.600 0.045 0.000 1.048 367 K CA 1.402 57.726 56.287 0.062 0.000 0.930 367 K CB -0.011 32.520 32.500 0.051 0.000 0.714 367 K HN 0.140 nan 8.250 nan 0.000 0.438 368 M N 0.825 120.439 119.600 0.024 0.000 2.629 368 M HA -0.112 4.364 4.480 -0.006 0.000 0.257 368 M C 1.439 177.743 176.300 0.006 0.000 1.071 368 M CA 1.203 56.513 55.300 0.017 0.000 1.077 368 M CB -0.454 32.151 32.600 0.009 0.000 1.423 368 M HN 0.223 nan 8.290 nan 0.000 0.508 369 E N 0.447 120.648 120.200 0.001 0.000 2.400 369 E HA 0.065 4.411 4.350 -0.006 0.000 0.195 369 E C 1.668 178.263 176.600 -0.010 0.000 1.012 369 E CA 0.527 56.918 56.400 -0.015 0.000 0.875 369 E CB 0.256 29.936 29.700 -0.032 0.000 0.859 369 E HN 0.488 nan 8.360 nan 0.000 0.498 370 L N -1.007 120.225 121.223 0.014 0.000 2.609 370 L HA 0.178 4.514 4.340 -0.006 0.000 0.230 370 L C 1.289 178.158 176.870 -0.001 0.000 1.087 370 L CA 0.060 54.908 54.840 0.014 0.000 0.874 370 L CB 0.715 42.813 42.059 0.065 0.000 1.114 370 L HN -0.008 nan 8.230 nan 0.000 0.488 371 V N -1.003 118.925 119.914 0.023 0.000 3.565 371 V HA 0.087 4.203 4.120 -0.006 0.000 0.260 371 V C 1.312 177.418 176.094 0.019 0.000 1.231 371 V CA -0.150 62.170 62.300 0.033 0.000 1.100 371 V CB -0.128 31.732 31.823 0.062 0.000 0.807 371 V HN 0.294 nan 8.190 nan 0.000 0.454 372 R N 2.107 122.613 120.500 0.010 0.000 2.538 372 R HA -0.151 4.185 4.340 -0.006 0.000 0.273 372 R C 1.780 178.086 176.300 0.009 0.000 0.967 372 R CA 0.636 56.741 56.100 0.008 0.000 1.101 372 R CB -0.034 30.263 30.300 -0.005 0.000 0.908 372 R HN 0.417 nan 8.270 nan 0.000 0.411 373 N N 2.749 121.463 118.700 0.025 0.000 2.037 373 N HA -0.256 4.480 4.740 -0.006 0.000 0.196 373 N C 0.599 176.132 175.510 0.039 0.000 1.034 373 N CA 2.297 55.372 53.050 0.041 0.000 0.861 373 N CB 0.080 38.594 38.487 0.046 0.000 1.039 373 N HN 0.595 nan 8.380 nan 0.000 0.427 374 E N 0.294 120.507 120.200 0.023 0.000 2.171 374 E HA -0.126 4.220 4.350 -0.006 0.000 0.197 374 E C 1.737 178.352 176.600 0.025 0.000 0.997 374 E CA 1.485 57.897 56.400 0.020 0.000 0.810 374 E CB -0.297 29.400 29.700 -0.005 0.000 0.738 374 E HN 0.541 nan 8.360 nan 0.000 0.467 375 A N -0.145 122.675 122.820 0.001 0.000 1.901 375 A HA 0.076 4.392 4.320 -0.006 0.000 0.210 375 A C 2.098 179.663 177.584 -0.032 0.000 1.208 375 A CA 0.298 52.329 52.037 -0.009 0.000 0.644 375 A CB -0.360 18.608 19.000 -0.053 0.000 0.863 375 A HN 0.146 nan 8.150 nan 0.000 0.454 376 L N 0.161 121.324 121.223 -0.100 0.000 2.042 376 L HA -0.238 4.098 4.340 -0.006 0.000 0.210 376 L C 2.504 179.341 176.870 -0.056 0.000 1.076 376 L CA 1.532 56.240 54.840 -0.221 0.000 0.749 376 L CB -0.762 41.217 42.059 -0.134 0.000 0.893 376 L HN 0.509 nan 8.230 nan 0.000 0.432 377 N N -0.242 118.499 118.700 0.068 0.000 2.091 377 N HA -0.285 4.452 4.740 -0.006 0.000 0.193 377 N C 1.903 177.518 175.510 0.175 0.000 1.021 377 N CA 1.930 55.080 53.050 0.166 0.000 0.862 377 N CB -0.137 38.449 38.487 0.164 0.000 1.018 377 N HN 0.364 nan 8.380 nan 0.000 0.429 378 Y N 1.462 121.766 120.300 0.007 0.000 2.220 378 Y HA 0.028 4.574 4.550 -0.006 0.000 0.291 378 Y C 2.322 178.213 175.900 -0.015 0.000 1.129 378 Y CA 0.983 59.081 58.100 -0.003 0.000 1.161 378 Y CB -0.523 37.905 38.460 -0.054 0.000 0.997 378 Y HN -0.017 nan 8.280 nan 0.000 0.522 379 L N -0.763 120.322 121.223 -0.230 0.000 2.079 379 L HA -0.223 4.113 4.340 -0.006 0.000 0.210 379 L C 2.300 179.087 176.870 -0.138 0.000 1.081 379 L CA 1.307 55.972 54.840 -0.292 0.000 0.752 379 L CB -0.817 41.030 42.059 -0.354 0.000 0.896 379 L HN 0.164 nan 8.230 nan 0.000 0.433 380 V N -0.764 119.135 119.914 -0.025 0.000 2.427 380 V HA -0.236 3.880 4.120 -0.006 0.000 0.248 380 V C 2.554 178.618 176.094 -0.050 0.000 1.051 380 V CA 1.384 63.708 62.300 0.039 0.000 1.048 380 V CB -0.511 31.364 31.823 0.087 0.000 0.666 380 V HN 0.474 nan 8.190 nan 0.000 0.456 381 Q N 0.517 120.287 119.800 -0.051 0.000 2.084 381 Q HA -0.188 4.148 4.340 -0.006 0.000 0.202 381 Q C 2.540 178.483 176.000 -0.095 0.000 0.978 381 Q CA 2.326 58.107 55.803 -0.036 0.000 0.844 381 Q CB -0.744 28.020 28.738 0.045 0.000 0.898 381 Q HN 0.834 nan 8.270 nan 0.000 0.426 382 T N -1.417 113.010 114.554 -0.211 0.000 2.995 382 T HA 0.018 4.364 4.350 -0.006 0.000 0.269 382 T C 1.934 176.562 174.700 -0.121 0.000 1.091 382 T CA 0.379 62.357 62.100 -0.204 0.000 1.128 382 T CB -0.223 68.434 68.868 -0.351 0.000 0.891 382 T HN 0.121 nan 8.240 nan 0.000 0.492 383 L N 0.707 121.874 121.223 -0.092 0.000 2.376 383 L HA 0.224 4.560 4.340 -0.006 0.000 0.219 383 L C 2.141 178.983 176.870 -0.047 0.000 1.133 383 L CA 0.789 55.602 54.840 -0.045 0.000 0.816 383 L CB -0.850 41.217 42.059 0.014 0.000 0.933 383 L HN 0.653 nan 8.230 nan 0.000 0.449 384 G N -0.243 108.523 108.800 -0.056 0.000 2.147 384 G HA2 -0.278 3.678 3.960 -0.006 0.000 0.244 384 G HA3 -0.278 3.678 3.960 -0.006 0.000 0.244 384 G C 0.765 175.626 174.900 -0.064 0.000 1.005 384 G CA 0.381 45.453 45.100 -0.047 0.000 0.713 384 G HN 0.321 nan 8.290 nan 0.000 0.515 385 L N -0.535 120.630 121.223 -0.097 0.000 2.095 385 L HA 0.027 4.363 4.340 -0.006 0.000 0.204 385 L C 0.495 177.218 176.870 -0.244 0.000 1.080 385 L CA 1.234 55.997 54.840 -0.129 0.000 0.759 385 L CB -1.380 40.620 42.059 -0.098 0.000 0.914 385 L HN 0.118 nan 8.230 nan 0.000 0.439 386 P HA -0.248 nan 4.420 nan 0.000 0.217 386 P C 1.422 178.663 177.300 -0.097 0.000 1.158 386 P CA 1.500 64.326 63.100 -0.457 0.000 0.887 386 P CB 0.019 31.609 31.700 -0.185 0.000 0.792 387 Q N -0.855 118.942 119.800 -0.005 0.000 2.061 387 Q HA -0.141 4.195 4.340 -0.006 0.000 0.204 387 Q C 2.223 178.314 176.000 0.153 0.000 0.984 387 Q CA 1.510 57.369 55.803 0.093 0.000 0.846 387 Q CB -1.238 27.556 28.738 0.094 0.000 0.902 387 Q HN 0.283 nan 8.270 nan 0.000 0.421 388 L N -0.559 120.688 121.223 0.040 0.000 2.109 388 L HA -0.047 4.289 4.340 -0.006 0.000 0.207 388 L C 2.321 179.241 176.870 0.083 0.000 1.086 388 L CA 0.861 55.680 54.840 -0.034 0.000 0.760 388 L CB -0.746 41.145 42.059 -0.279 0.000 0.910 388 L HN 0.195 nan 8.230 nan 0.000 0.437 389 A N -0.676 122.154 122.820 0.017 0.000 1.877 389 A HA -0.112 4.204 4.320 -0.006 0.000 0.216 389 A C 1.071 178.740 177.584 0.142 0.000 1.186 389 A CA 1.563 53.617 52.037 0.030 0.000 0.620 389 A CB -0.031 18.887 19.000 -0.138 0.000 0.822 389 A HN 0.539 nan 8.150 nan 0.000 0.443 394 N N 2.075 120.721 118.700 -0.090 0.000 2.462 394 N HA -0.108 4.628 4.740 -0.006 0.000 0.307 394 N C -0.342 174.984 175.510 -0.307 0.000 1.652 394 N CA 0.466 53.428 53.050 -0.147 0.000 3.278 394 N CB -0.097 38.344 38.487 -0.078 0.000 1.523 394 N HN 0.281 nan 8.380 nan 0.000 1.133 395 L N 0.170 121.034 121.223 -0.598 0.000 4.456 395 L HA -0.116 4.220 4.340 -0.006 0.000 0.394 395 L C -0.224 176.448 176.870 -0.331 0.000 1.078 395 L CA 0.518 55.009 54.840 -0.582 0.000 1.085 395 L CB -1.474 40.343 42.059 -0.403 0.000 2.131 395 L HN 0.210 nan 8.230 nan 0.000 0.635 396 V N 1.418 121.171 119.914 -0.269 0.000 2.267 396 V HA 0.785 4.902 4.120 -0.006 0.000 0.254 396 V C 0.670 176.680 176.094 -0.140 0.000 1.144 396 V CA 0.815 63.020 62.300 -0.159 0.000 0.992 396 V CB 0.945 32.707 31.823 -0.103 0.000 1.199 396 V HN 0.334 nan 8.190 nan 0.000 0.493 397 A N 5.219 127.964 122.820 -0.124 0.000 2.539 397 A HA 0.648 4.964 4.320 -0.006 0.000 0.296 397 A C 0.509 178.064 177.584 -0.047 0.000 1.073 397 A CA -0.685 51.308 52.037 -0.073 0.000 0.700 397 A CB 1.695 20.656 19.000 -0.065 0.000 1.296 397 A HN 0.617 nan 8.150 nan 0.000 0.405 398 K N 0.047 120.432 120.400 -0.024 0.000 2.062 398 K HA -0.044 4.272 4.320 -0.006 0.000 0.205 398 K C 1.779 178.378 176.600 -0.002 0.000 1.051 398 K CA 1.756 58.035 56.287 -0.013 0.000 0.941 398 K CB 0.131 32.627 32.500 -0.007 0.000 0.719 398 K HN 0.609 nan 8.250 nan 0.000 0.440 399 S N -0.377 115.329 115.700 0.010 0.000 2.731 399 S HA 0.139 4.605 4.470 -0.006 0.000 0.244 399 S C 0.218 174.848 174.600 0.052 0.000 1.084 399 S CA -0.167 58.050 58.200 0.030 0.000 0.877 399 S CB 0.405 63.626 63.200 0.035 0.000 0.798 399 S HN -0.012 nan 8.310 nan 0.000 0.496 400 K N 1.307 121.742 120.400 0.059 0.000 2.087 400 K HA 0.564 4.880 4.320 -0.006 0.000 0.255 400 K C -0.914 175.746 176.600 0.100 0.000 0.988 400 K CA -0.208 56.146 56.287 0.112 0.000 0.915 400 K CB 1.620 34.201 32.500 0.135 0.000 1.043 400 K HN 0.180 nan 8.250 nan 0.000 0.457 401 T N -0.486 114.182 114.554 0.189 0.000 2.896 401 T HA 0.164 4.510 4.350 -0.006 0.000 0.297 401 T C 0.528 175.511 174.700 0.472 0.000 1.108 401 T CA -0.765 61.452 62.100 0.194 0.000 1.004 401 T CB 0.827 69.786 68.868 0.152 0.000 1.159 401 T HN 0.699 nan 8.240 nan 0.000 0.499 402 W N 0.745 122.106 121.300 0.101 0.000 2.342 402 W HA -0.156 4.501 4.660 -0.005 0.000 0.297 402 W C 2.520 179.127 176.519 0.147 0.000 1.213 402 W CA 0.606 58.022 57.345 0.119 0.000 1.251 402 W CB -0.084 29.432 29.460 0.094 0.000 1.136 402 W HN 0.866 nan 8.180 nan 0.000 0.526 403 A N 0.656 123.703 122.820 0.378 0.000 1.940 403 A HA -0.258 4.058 4.320 -0.006 0.000 0.219 403 A C 1.484 179.234 177.584 0.276 0.000 1.176 403 A CA 2.183 54.377 52.037 0.261 0.000 0.631 403 A CB -0.894 18.212 19.000 0.177 0.000 0.814 403 A HN 0.178 nan 8.150 nan 0.000 0.446 404 D N -0.429 120.148 120.400 0.295 0.000 2.182 404 D HA -0.178 4.458 4.640 -0.006 0.000 0.201 404 D C 1.834 178.295 176.300 0.269 0.000 0.986 404 D CA 1.215 55.380 54.000 0.275 0.000 0.847 404 D CB -0.404 40.616 40.800 0.367 0.000 0.942 404 D HN 0.499 nan 8.370 nan 0.000 0.467 405 M N -0.730 119.088 119.600 0.363 0.000 2.213 405 M HA -0.205 4.271 4.480 -0.006 0.000 0.263 405 M C 2.016 178.429 176.300 0.188 0.000 1.062 405 M CA 1.079 56.568 55.300 0.315 0.000 1.105 405 M CB -0.158 32.583 32.600 0.236 0.000 1.385 405 M HN 0.069 nan 8.290 nan 0.000 0.417 406 Y N 1.187 121.548 120.300 0.102 0.000 2.163 406 Y HA -0.222 4.324 4.550 -0.006 0.000 0.288 406 Y C 2.055 177.987 175.900 0.054 0.000 1.136 406 Y CA 1.921 60.084 58.100 0.106 0.000 1.147 406 Y CB -0.139 38.398 38.460 0.129 0.000 0.987 406 Y HN 0.238 nan 8.280 nan 0.000 0.509 407 E N -0.252 120.048 120.200 0.167 0.000 2.085 407 E HA -0.259 4.087 4.350 -0.006 0.000 0.194 407 E C 2.147 178.659 176.600 -0.147 0.000 0.994 407 E CA 1.221 57.633 56.400 0.021 0.000 0.801 407 E CB -0.241 29.486 29.700 0.044 0.000 0.743 407 E HN 0.464 nan 8.360 nan 0.000 0.453 408 E N 1.233 121.296 120.200 -0.228 0.000 2.110 408 E HA -0.195 4.151 4.350 -0.006 0.000 0.193 408 E C 2.039 178.495 176.600 -0.240 0.000 0.988 408 E CA 0.881 57.066 56.400 -0.358 0.000 0.804 408 E CB -0.044 29.213 29.700 -0.738 0.000 0.745 408 E HN 0.295 nan 8.360 nan 0.000 0.458 409 I N 0.401 120.816 120.570 -0.258 0.000 2.113 409 I HA -0.286 3.880 4.170 -0.006 0.000 0.238 409 I C 2.617 178.474 176.117 -0.435 0.000 1.070 409 I CA 0.917 61.974 61.300 -0.405 0.000 1.332 409 I CB -0.543 37.042 38.000 -0.691 0.000 1.044 409 I HN -0.053 nan 8.210 nan 0.000 0.402 410 V N 1.471 121.119 119.914 -0.444 0.000 2.313 410 V HA -0.324 3.792 4.120 -0.006 0.000 0.253 410 V C 2.579 178.584 176.094 -0.148 0.000 1.070 410 V CA 2.371 64.507 62.300 -0.273 0.000 1.057 410 V CB -1.687 30.041 31.823 -0.159 0.000 0.653 410 V HN 0.651 nan 8.190 nan 0.000 0.450 411 G N -1.047 107.659 108.800 -0.157 0.000 2.433 411 G HA2 -0.325 3.631 3.960 -0.006 0.000 0.216 411 G HA3 -0.325 3.631 3.960 -0.006 0.000 0.216 411 G C 1.915 176.801 174.900 -0.023 0.000 1.186 411 G CA 1.327 46.365 45.100 -0.104 0.000 0.779 411 G HN 0.559 nan 8.290 nan 0.000 0.543 412 S N 0.366 116.032 115.700 -0.058 0.000 2.368 412 S HA -0.070 4.396 4.470 -0.006 0.000 0.225 412 S C 2.449 177.052 174.600 0.005 0.000 1.030 412 S CA 1.206 59.406 58.200 -0.000 0.000 0.999 412 S CB -0.325 62.885 63.200 0.016 0.000 0.844 412 S HN 0.368 nan 8.310 nan 0.000 0.459 413 I N 0.138 120.674 120.570 -0.058 0.000 2.226 413 I HA -0.111 4.056 4.170 -0.006 0.000 0.245 413 I C 2.225 178.384 176.117 0.070 0.000 1.100 413 I CA 1.479 62.758 61.300 -0.035 0.000 1.374 413 I CB -0.507 37.420 38.000 -0.121 0.000 1.057 413 I HN 0.331 nan 8.210 nan 0.000 0.413 414 F N 2.076 121.989 119.950 -0.062 0.000 2.186 414 F HA -0.211 4.312 4.527 -0.006 0.000 0.299 414 F C 2.681 178.467 175.800 -0.023 0.000 1.090 414 F CA 1.935 59.914 58.000 -0.036 0.000 1.307 414 F CB -0.354 38.610 39.000 -0.061 0.000 1.019 414 F HN 0.092 nan 8.300 nan 0.000 0.489 415 T N -2.342 112.246 114.554 0.055 0.000 3.081 415 T HA 0.340 4.686 4.350 -0.006 0.000 0.250 415 T C 1.188 175.890 174.700 0.004 0.000 1.100 415 T CA 0.285 62.383 62.100 -0.003 0.000 1.038 415 T CB -0.666 68.252 68.868 0.084 0.000 0.962 415 T HN 0.234 nan 8.240 nan 0.000 0.516 416 G N 2.028 110.835 108.800 0.011 0.000 2.537 416 G HA2 0.500 4.456 3.960 -0.006 0.000 0.297 416 G HA3 0.500 4.456 3.960 -0.006 0.000 0.297 416 G C -1.414 173.485 174.900 -0.002 0.000 1.310 416 G CA -1.523 43.591 45.100 0.024 0.000 1.027 416 G HN 0.003 nan 8.290 nan 0.000 0.505 417 P HA -0.107 nan 4.420 nan 0.000 0.221 417 P C 1.044 178.357 177.300 0.022 0.000 1.145 417 P CA 0.819 63.928 63.100 0.014 0.000 0.795 417 P CB 0.267 31.980 31.700 0.022 0.000 0.775 418 N N -0.270 118.449 118.700 0.032 0.000 2.216 418 N HA -0.032 4.704 4.740 -0.006 0.000 0.183 418 N C 1.578 177.141 175.510 0.088 0.000 1.017 418 N CA 1.447 54.539 53.050 0.069 0.000 0.861 418 N CB -0.685 37.846 38.487 0.074 0.000 0.986 418 N HN 0.200 nan 8.380 nan 0.000 0.428 419 G N 1.595 110.401 108.800 0.011 0.000 2.552 419 G HA2 -0.338 3.619 3.960 -0.006 0.000 0.265 419 G HA3 -0.338 3.619 3.960 -0.006 0.000 0.265 419 G C 0.832 175.758 174.900 0.043 0.000 1.234 419 G CA 0.193 45.237 45.100 -0.094 0.000 0.944 419 G HN 0.332 nan 8.290 nan 0.000 0.568 420 I N -0.174 120.408 120.570 0.019 0.000 2.493 420 I HA -0.015 4.151 4.170 -0.006 0.000 0.254 420 I C 2.513 178.698 176.117 0.112 0.000 1.160 420 I CA 1.689 63.105 61.300 0.193 0.000 1.445 420 I CB -0.153 37.967 38.000 0.199 0.000 1.086 420 I HN 0.583 nan 8.210 nan 0.000 0.433 421 Y N 0.634 121.030 120.300 0.161 0.000 2.128 421 Y HA -0.220 4.331 4.550 0.002 0.000 0.284 421 Y C 2.588 178.600 175.900 0.186 0.000 1.154 421 Y CA 1.564 59.765 58.100 0.170 0.000 1.149 421 Y CB -0.884 37.656 38.460 0.132 0.000 0.976 421 Y HN 0.221 nan 8.280 nan 0.000 0.505 422 G N -1.132 107.848 108.800 0.300 0.000 2.422 422 G HA2 -0.268 3.688 3.960 -0.006 0.000 0.218 422 G HA3 -0.268 3.688 3.960 -0.006 0.000 0.218 422 G C 1.665 176.708 174.900 0.238 0.000 1.146 422 G CA 1.246 46.480 45.100 0.223 0.000 0.769 422 G HN 0.452 nan 8.290 nan 0.000 0.547 423 C N 0.452 119.897 119.300 0.241 0.000 2.436 423 C HA -0.000 4.456 4.460 -0.006 0.000 0.277 423 C C 2.816 177.981 174.990 0.292 0.000 1.241 423 C CA 1.119 60.286 59.018 0.248 0.000 1.721 423 C CB -0.843 27.050 27.740 0.255 0.000 2.043 423 C HN 0.600 nan 8.230 nan 0.000 0.472 424 E N 0.596 120.966 120.200 0.283 0.000 2.058 424 E HA -0.263 4.083 4.350 -0.006 0.000 0.194 424 E C 2.109 178.894 176.600 0.308 0.000 0.997 424 E CA 1.281 57.856 56.400 0.292 0.000 0.801 424 E CB -0.335 29.526 29.700 0.268 0.000 0.746 424 E HN 0.691 nan 8.360 nan 0.000 0.450 425 E N 0.521 120.941 120.200 0.367 0.000 2.033 425 E HA -0.258 4.088 4.350 -0.006 0.000 0.199 425 E C 1.956 178.782 176.600 0.377 0.000 1.011 425 E CA 1.348 58.025 56.400 0.461 0.000 0.815 425 E CB -0.221 29.705 29.700 0.377 0.000 0.755 425 E HN 0.192 nan 8.360 nan 0.000 0.451 426 F N 1.391 121.427 119.950 0.143 0.000 2.091 426 F HA -0.217 4.305 4.527 -0.008 0.000 0.299 426 F C 2.064 177.909 175.800 0.075 0.000 1.103 426 F CA 1.633 59.666 58.000 0.055 0.000 1.228 426 F CB -0.308 38.669 39.000 -0.038 0.000 0.984 426 F HN 0.044 nan 8.300 nan 0.000 0.477 427 L N -0.379 120.900 121.223 0.094 0.000 2.083 427 L HA -0.176 4.160 4.340 -0.006 0.000 0.209 427 L C 2.736 179.504 176.870 -0.170 0.000 1.083 427 L CA 1.186 56.020 54.840 -0.009 0.000 0.752 427 L CB -1.337 40.820 42.059 0.163 0.000 0.899 427 L HN 0.247 nan 8.230 nan 0.000 0.433 428 A N 0.044 122.810 122.820 -0.090 0.000 1.968 428 A HA -0.154 4.162 4.320 -0.006 0.000 0.217 428 A C 2.299 179.836 177.584 -0.078 0.000 1.169 428 A CA 1.185 53.094 52.037 -0.212 0.000 0.638 428 A CB -0.238 18.635 19.000 -0.213 0.000 0.812 428 A HN 0.303 nan 8.150 nan 0.000 0.446 429 K N -0.545 119.873 120.400 0.029 0.000 2.148 429 K HA -0.100 4.216 4.320 -0.006 0.000 0.204 429 K C 2.027 178.502 176.600 -0.208 0.000 1.050 429 K CA 1.794 58.047 56.287 -0.057 0.000 0.942 429 K CB -0.150 32.299 32.500 -0.084 0.000 0.724 429 K HN 0.744 nan 8.250 nan 0.000 0.446 430 T N -1.330 113.049 114.554 -0.291 0.000 3.045 430 T HA 0.115 4.461 4.350 -0.006 0.000 0.239 430 T C 1.999 176.610 174.700 -0.149 0.000 1.008 430 T CA -0.126 61.815 62.100 -0.265 0.000 1.143 430 T CB -0.344 68.303 68.868 -0.369 0.000 0.894 430 T HN -0.034 nan 8.240 nan 0.000 0.451 431 L N 0.017 121.100 121.223 -0.234 0.000 2.083 431 L HA 0.172 4.508 4.340 -0.006 0.000 0.209 431 L C 0.798 177.506 176.870 -0.269 0.000 1.083 431 L CA 1.050 55.746 54.840 -0.239 0.000 0.752 431 L CB -0.503 41.316 42.059 -0.401 0.000 0.899 431 L HN 0.269 nan 8.230 nan 0.000 0.433 432 M N -1.063 118.242 119.600 -0.492 0.000 2.227 432 M HA 0.352 4.828 4.480 -0.006 0.000 0.335 432 M C -0.387 175.650 176.300 -0.439 0.000 1.053 432 M CA 0.222 55.163 55.300 -0.599 0.000 0.973 432 M CB 2.051 34.111 32.600 -0.898 0.000 1.623 432 M HN -0.115 nan 8.290 nan 0.000 0.434 433 S N 2.734 118.133 115.700 -0.502 0.000 2.535 433 S HA 0.556 5.022 4.470 -0.006 0.000 0.272 433 S C -2.396 171.937 174.600 -0.444 0.000 1.149 433 S CA -1.176 56.692 58.200 -0.553 0.000 0.888 433 S CB 1.605 64.310 63.200 -0.825 0.000 1.110 433 S HN 0.491 nan 8.310 nan 0.000 0.463 434 P HA -0.067 nan 4.420 nan 0.000 0.221 434 P C 0.911 178.127 177.300 -0.140 0.000 1.145 434 P CA 0.993 63.986 63.100 -0.179 0.000 0.795 434 P CB 0.141 31.752 31.700 -0.148 0.000 0.775 435 E N -0.092 119.980 120.200 -0.214 0.000 2.472 435 E HA -0.164 4.182 4.350 -0.006 0.000 0.200 435 E C 0.993 177.613 176.600 0.034 0.000 1.046 435 E CA 0.732 57.065 56.400 -0.113 0.000 0.871 435 E CB -1.120 28.496 29.700 -0.140 0.000 0.806 435 E HN 0.457 nan 8.360 nan 0.000 0.533 436 H N -0.991 118.096 119.070 0.028 0.000 2.538 436 H HA 0.237 4.790 4.556 -0.006 0.000 0.286 436 H C 0.088 175.432 175.328 0.027 0.000 1.035 436 H CA -0.065 56.020 56.048 0.061 0.000 1.169 436 H CB 0.349 30.137 29.762 0.044 0.000 1.417 436 H HN 0.094 nan 8.280 nan 0.000 0.567 437 S N 0.119 115.891 115.700 0.119 0.000 2.851 437 S HA 0.662 5.129 4.470 -0.006 0.000 0.317 437 S C -1.022 173.610 174.600 0.053 0.000 1.144 437 S CA -1.182 57.061 58.200 0.072 0.000 0.862 437 S CB 2.436 65.672 63.200 0.060 0.000 1.259 437 S HN 0.185 nan 8.310 nan 0.000 0.564 438 K N -0.610 119.812 120.400 0.037 0.000 2.469 438 K HA 0.883 5.199 4.320 -0.006 0.000 0.254 438 K C -0.648 175.969 176.600 0.029 0.000 0.939 438 K CA -0.473 55.832 56.287 0.031 0.000 0.812 438 K CB 1.448 33.961 32.500 0.023 0.000 1.301 438 K HN 0.736 nan 8.250 nan 0.000 0.433 444 C N 1.935 121.272 119.300 0.061 0.000 2.362 444 C HA 0.951 5.407 4.460 -0.006 0.000 0.363 444 C C -1.322 173.657 174.990 -0.019 0.000 1.220 444 C CA -1.315 57.742 59.018 0.064 0.000 2.379 444 C CB 0.154 27.889 27.740 -0.009 0.000 2.351 444 C HN 0.821 nan 8.230 nan 0.000 0.582 445 P HA 0.114 nan 4.420 nan 0.000 0.271 445 P C 0.376 177.612 177.300 -0.107 0.000 1.238 445 P CA 0.233 63.299 63.100 -0.057 0.000 0.794 445 P CB 0.509 32.187 31.700 -0.037 0.000 0.959 446 D N 0.134 120.491 120.400 -0.072 0.000 2.149 446 D HA -0.077 4.559 4.640 -0.006 0.000 0.201 446 D C 1.838 178.083 176.300 -0.092 0.000 0.972 446 D CA 1.313 55.271 54.000 -0.070 0.000 0.835 446 D CB -0.070 40.705 40.800 -0.042 0.000 0.966 446 D HN 0.405 nan 8.370 nan 0.000 0.476 447 A N 0.363 123.127 122.820 -0.093 0.000 2.019 447 A HA -0.114 4.203 4.320 -0.006 0.000 0.219 447 A C 2.453 179.948 177.584 -0.149 0.000 1.164 447 A CA 1.061 53.040 52.037 -0.096 0.000 0.644 447 A CB -0.422 18.538 19.000 -0.067 0.000 0.805 447 A HN 0.182 nan 8.150 nan 0.000 0.449 448 V N -0.437 119.341 119.914 -0.227 0.000 2.407 448 V HA -0.171 3.945 4.120 -0.006 0.000 0.245 448 V C 2.667 178.623 176.094 -0.230 0.000 1.041 448 V CA 2.252 64.365 62.300 -0.311 0.000 1.040 448 V CB -1.380 30.054 31.823 -0.649 0.000 0.671 448 V HN 0.591 nan 8.190 nan 0.000 0.455 449 T N -0.187 114.255 114.554 -0.188 0.000 2.759 449 T HA -0.239 4.107 4.350 -0.006 0.000 0.269 449 T C 1.887 176.520 174.700 -0.111 0.000 1.042 449 T CA 1.504 63.527 62.100 -0.129 0.000 1.140 449 T CB -0.228 68.583 68.868 -0.095 0.000 0.864 449 T HN 0.445 nan 8.240 nan 0.000 0.455 450 K N 0.927 121.261 120.400 -0.110 0.000 2.097 450 K HA 0.103 4.419 4.320 -0.006 0.000 0.205 450 K C 2.751 179.276 176.600 -0.125 0.000 1.050 450 K CA 1.042 57.270 56.287 -0.098 0.000 0.938 450 K CB -0.268 32.185 32.500 -0.079 0.000 0.718 450 K HN 0.315 nan 8.250 nan 0.000 0.442 451 A N 1.038 123.762 122.820 -0.161 0.000 1.877 451 A HA -0.155 4.161 4.320 -0.006 0.000 0.216 451 A C 2.229 179.678 177.584 -0.226 0.000 1.186 451 A CA 1.778 53.686 52.037 -0.215 0.000 0.620 451 A CB -0.617 18.234 19.000 -0.247 0.000 0.822 451 A HN 0.159 nan 8.150 nan 0.000 0.443 452 S N -0.249 115.343 115.700 -0.181 0.000 2.372 452 S HA -0.239 4.227 4.470 -0.006 0.000 0.227 452 S C 2.002 176.526 174.600 -0.127 0.000 1.044 452 S CA 2.005 60.118 58.200 -0.145 0.000 1.050 452 S CB -0.301 62.844 63.200 -0.092 0.000 0.901 452 S HN 0.630 nan 8.310 nan 0.000 0.447 453 K N 0.519 120.855 120.400 -0.105 0.000 2.032 453 K HA -0.056 4.260 4.320 -0.006 0.000 0.209 453 K C 2.446 178.986 176.600 -0.100 0.000 1.048 453 K CA 1.251 57.489 56.287 -0.082 0.000 0.927 453 K CB -0.149 32.311 32.500 -0.066 0.000 0.712 453 K HN 0.193 nan 8.250 nan 0.000 0.441 454 R N 0.189 120.610 120.500 -0.132 0.000 2.096 454 R HA -0.108 4.228 4.340 -0.006 0.000 0.235 454 R C 2.218 178.403 176.300 -0.191 0.000 1.127 454 R CA 1.196 57.211 56.100 -0.142 0.000 0.968 454 R CB -0.269 29.940 30.300 -0.151 0.000 0.861 454 R HN 0.028 nan 8.270 nan 0.000 0.440 455 V N -0.113 119.626 119.914 -0.293 0.000 2.358 455 V HA -0.292 3.824 4.120 -0.006 0.000 0.246 455 V C 2.395 178.334 176.094 -0.259 0.000 1.047 455 V CA 1.446 63.486 62.300 -0.435 0.000 1.035 455 V CB -0.364 31.041 31.823 -0.696 0.000 0.658 455 V HN 0.480 nan 8.190 nan 0.000 0.452 456 C N 0.800 120.024 119.300 -0.128 0.000 2.413 456 C HA -0.178 4.278 4.460 -0.006 0.000 0.276 456 C C 2.611 177.606 174.990 0.008 0.000 1.236 456 C CA 1.674 60.691 59.018 -0.003 0.000 1.735 456 C CB -0.911 26.834 27.740 0.008 0.000 2.031 456 C HN 0.700 nan 8.230 nan 0.000 0.474 457 M N -0.060 119.525 119.600 -0.024 0.000 2.505 457 M HA 0.322 4.798 4.480 -0.006 0.000 0.230 457 M C 1.275 177.570 176.300 -0.008 0.000 1.153 457 M CA 1.091 56.384 55.300 -0.011 0.000 0.997 457 M CB -0.261 32.328 32.600 -0.019 0.000 1.606 457 M HN 0.373 nan 8.290 nan 0.000 0.481 458 G N 1.506 110.297 108.800 -0.015 0.000 2.205 458 G HA2 -0.317 3.639 3.960 -0.006 0.000 0.261 458 G HA3 -0.317 3.639 3.960 -0.006 0.000 0.261 458 G C 0.610 175.507 174.900 -0.006 0.000 0.980 458 G CA 0.708 45.811 45.100 0.006 0.000 0.632 458 G HN 0.650 nan 8.290 nan 0.000 0.533 459 E N 0.620 120.802 120.200 -0.029 0.000 2.516 459 E HA 0.428 4.774 4.350 -0.006 0.000 0.199 459 E C 1.520 178.100 176.600 -0.033 0.000 1.069 459 E CA 0.482 56.868 56.400 -0.024 0.000 0.876 459 E CB -0.168 29.515 29.700 -0.028 0.000 0.843 459 E HN 0.816 nan 8.360 nan 0.000 0.530 460 A N 0.112 122.892 122.820 -0.067 0.000 2.363 460 A HA 0.565 4.881 4.320 -0.006 0.000 0.270 460 A C 0.476 178.088 177.584 0.046 0.000 1.121 460 A CA 0.106 52.081 52.037 -0.104 0.000 0.800 460 A CB 1.107 19.898 19.000 -0.349 0.000 1.052 460 A HN 0.286 nan 8.150 nan 0.000 0.493 461 G N -0.362 108.489 108.800 0.085 0.000 3.122 461 G HA2 0.537 4.493 3.960 -0.006 0.000 0.180 461 G HA3 0.537 4.493 3.960 -0.006 0.000 0.180 461 G C 1.060 176.123 174.900 0.271 0.000 1.279 461 G CA 0.319 45.525 45.100 0.177 0.000 0.987 461 G HN 1.155 nan 8.290 nan 0.000 0.589 462 A N -0.375 122.585 122.820 0.233 0.000 1.834 462 A HA -0.119 4.197 4.320 -0.006 0.000 0.216 462 A C 2.175 179.917 177.584 0.264 0.000 1.203 462 A CA 2.471 54.647 52.037 0.232 0.000 0.621 462 A CB -1.336 17.760 19.000 0.159 0.000 0.841 462 A HN 0.856 nan 8.150 nan 0.000 0.446 463 H N -0.290 118.838 119.070 0.096 0.000 2.457 463 H HA -0.023 4.529 4.556 -0.007 0.000 0.294 463 H C 1.533 176.894 175.328 0.056 0.000 1.064 463 H CA 1.701 57.793 56.048 0.073 0.000 1.330 463 H CB -0.570 29.218 29.762 0.043 0.000 1.395 463 H HN 0.508 nan 8.280 nan 0.000 0.541 464 E N 0.681 120.605 120.200 -0.461 0.000 2.049 464 E HA -0.146 4.201 4.350 -0.006 0.000 0.198 464 E C 2.120 178.554 176.600 -0.277 0.000 1.007 464 E CA 1.899 58.022 56.400 -0.463 0.000 0.809 464 E CB -0.618 28.856 29.700 -0.376 0.000 0.749 464 E HN 0.431 nan 8.360 nan 0.000 0.450 465 F N 0.517 120.412 119.950 -0.092 0.000 2.095 465 F HA -0.191 4.331 4.527 -0.008 0.000 0.298 465 F C 2.523 178.323 175.800 -0.000 0.000 1.104 465 F CA 1.359 59.342 58.000 -0.027 0.000 1.232 465 F CB -0.125 38.885 39.000 0.017 0.000 0.987 465 F HN -0.084 nan 8.300 nan 0.000 0.475 466 R N 0.093 120.705 120.500 0.186 0.000 2.080 466 R HA -0.173 4.163 4.340 -0.006 0.000 0.236 466 R C 2.386 178.739 176.300 0.088 0.000 1.137 466 R CA 1.833 58.013 56.100 0.133 0.000 0.943 466 R CB -0.672 29.706 30.300 0.129 0.000 0.846 466 R HN 0.228 nan 8.270 nan 0.000 0.431 467 S N 1.386 117.100 115.700 0.023 0.000 2.378 467 S HA -0.218 4.248 4.470 -0.006 0.000 0.229 467 S C 2.015 176.656 174.600 0.068 0.000 1.052 467 S CA 1.584 59.792 58.200 0.013 0.000 1.084 467 S CB -0.498 62.648 63.200 -0.089 0.000 0.950 467 S HN 0.238 nan 8.310 nan 0.000 0.440 468 L N 1.006 122.251 121.223 0.037 0.000 2.012 468 L HA -0.115 4.221 4.340 -0.006 0.000 0.210 468 L C 2.478 179.458 176.870 0.184 0.000 1.073 468 L CA 0.964 55.865 54.840 0.101 0.000 0.748 468 L CB -0.894 41.182 42.059 0.028 0.000 0.891 468 L HN 0.185 nan 8.230 nan 0.000 0.431 469 V N 0.047 120.060 119.914 0.165 0.000 2.255 469 V HA -0.310 3.806 4.120 -0.006 0.000 0.247 469 V C 2.104 178.264 176.094 0.109 0.000 1.051 469 V CA 2.204 64.587 62.300 0.140 0.000 1.018 469 V CB -0.579 31.316 31.823 0.119 0.000 0.641 469 V HN 0.429 nan 8.190 nan 0.000 0.445 470 D N -1.298 119.167 120.400 0.110 0.000 2.144 470 D HA -0.182 4.454 4.640 -0.006 0.000 0.199 470 D C 1.872 178.237 176.300 0.108 0.000 0.984 470 D CA 1.356 55.411 54.000 0.090 0.000 0.834 470 D CB -0.373 40.479 40.800 0.086 0.000 0.955 470 D HN 0.608 nan 8.370 nan 0.000 0.465 471 Y N 1.523 121.840 120.300 0.027 0.000 2.145 471 Y HA -0.175 4.370 4.550 -0.007 0.000 0.286 471 Y C 2.247 178.167 175.900 0.034 0.000 1.145 471 Y CA 1.794 59.908 58.100 0.024 0.000 1.148 471 Y CB -0.480 37.989 38.460 0.014 0.000 0.981 471 Y HN -0.046 nan 8.280 nan 0.000 0.507 472 A N -0.833 121.982 122.820 -0.009 0.000 1.933 472 A HA -0.227 4.090 4.320 -0.006 0.000 0.218 472 A C 2.404 179.946 177.584 -0.070 0.000 1.175 472 A CA 1.669 53.665 52.037 -0.068 0.000 0.628 472 A CB -1.686 17.371 19.000 0.095 0.000 0.814 472 A HN 0.675 nan 8.150 nan 0.000 0.444 473 C N -0.728 118.558 119.300 -0.023 0.000 2.419 473 C HA -0.056 4.400 4.460 -0.006 0.000 0.281 473 C C 2.521 177.485 174.990 -0.043 0.000 1.336 473 C CA 1.427 60.435 59.018 -0.017 0.000 1.770 473 C CB -1.059 26.682 27.740 0.003 0.000 1.929 473 C HN 0.684 nan 8.230 nan 0.000 0.509 474 E N -1.567 118.583 120.200 -0.083 0.000 2.413 474 E HA -0.034 4.313 4.350 -0.006 0.000 0.203 474 E C 1.999 178.518 176.600 -0.134 0.000 0.957 474 E CA 0.141 56.491 56.400 -0.083 0.000 0.950 474 E CB -0.058 29.612 29.700 -0.050 0.000 0.957 474 E HN 0.535 nan 8.360 nan 0.000 0.497 475 Q N 0.197 119.842 119.800 -0.258 0.000 2.451 475 Q HA 0.028 4.364 4.340 -0.006 0.000 0.206 475 Q C 0.489 176.399 176.000 -0.149 0.000 0.947 475 Q CA 0.576 56.216 55.803 -0.271 0.000 0.937 475 Q CB 0.709 29.113 28.738 -0.556 0.000 1.025 475 Q HN 0.339 nan 8.270 nan 0.000 0.511 476 G N 2.336 111.074 108.800 -0.103 0.000 2.363 476 G HA2 -0.264 3.692 3.960 -0.006 0.000 0.286 476 G HA3 -0.264 3.692 3.960 -0.006 0.000 0.286 476 G C -0.151 174.744 174.900 -0.009 0.000 0.975 476 G CA 0.017 45.095 45.100 -0.036 0.000 1.309 476 G HN 0.305 nan 8.290 nan 0.000 0.491 477 I N 1.260 121.836 120.570 0.011 0.000 2.441 477 I HA 0.328 4.494 4.170 -0.006 0.000 0.287 477 I C 0.984 177.169 176.117 0.113 0.000 1.049 477 I CA 0.012 61.343 61.300 0.052 0.000 1.381 477 I CB 1.357 39.395 38.000 0.062 0.000 1.409 477 I HN 0.444 nan 8.210 nan 0.000 0.523 478 S N 5.751 121.515 115.700 0.107 0.000 2.474 478 S HA 0.272 4.738 4.470 -0.006 0.000 0.320 478 S C 0.581 175.273 174.600 0.153 0.000 1.067 478 S CA -0.843 57.445 58.200 0.147 0.000 1.127 478 S CB 1.184 64.447 63.200 0.105 0.000 0.971 478 S HN 0.540 nan 8.310 nan 0.000 0.472 479 V N -0.411 119.604 119.914 0.169 0.000 3.354 479 V HA 0.446 4.562 4.120 -0.006 0.000 0.258 479 V C 0.100 176.158 176.094 -0.059 0.000 1.159 479 V CA 0.140 62.446 62.300 0.009 0.000 1.125 479 V CB -1.090 30.657 31.823 -0.126 0.000 0.774 479 V HN 0.612 nan 8.190 nan 0.000 0.464 480 F N 0.722 120.683 119.950 0.017 0.000 2.403 480 F HA 0.461 4.985 4.527 -0.005 0.000 0.326 480 F C 1.607 177.376 175.800 -0.052 0.000 1.081 480 F CA -0.440 57.555 58.000 -0.008 0.000 1.041 480 F CB 0.939 39.901 39.000 -0.063 0.000 1.234 480 F HN 0.168 nan 8.300 nan 0.000 0.503 481 C N -0.464 118.806 119.300 -0.051 0.000 2.460 481 C HA 0.398 4.854 4.460 -0.006 0.000 0.322 481 C C 0.497 175.399 174.990 -0.148 0.000 1.333 481 C CA -0.510 58.291 59.018 -0.362 0.000 1.631 481 C CB -2.112 25.377 27.740 -0.417 0.000 1.672 481 C HN 0.544 nan 8.230 nan 0.000 0.596 482 S N -0.413 115.271 115.700 -0.026 0.000 2.677 482 S HA 0.417 4.883 4.470 -0.006 0.000 0.283 482 S C 0.646 175.236 174.600 -0.017 0.000 1.159 482 S CA -0.122 58.055 58.200 -0.038 0.000 1.001 482 S CB 1.632 64.815 63.200 -0.028 0.000 1.032 482 S HN 0.360 nan 8.310 nan 0.000 0.487 483 S N 3.423 119.097 115.700 -0.044 0.000 2.365 483 S HA -0.151 4.315 4.470 -0.006 0.000 0.225 483 S C 1.930 176.516 174.600 -0.023 0.000 1.039 483 S CA 1.672 59.856 58.200 -0.027 0.000 1.033 483 S CB -0.354 62.820 63.200 -0.043 0.000 0.887 483 S HN 0.781 nan 8.310 nan 0.000 0.447 484 R N 0.442 120.914 120.500 -0.047 0.000 2.092 484 R HA -0.045 4.291 4.340 -0.006 0.000 0.231 484 R C 2.028 178.274 176.300 -0.091 0.000 1.119 484 R CA 1.353 57.413 56.100 -0.066 0.000 0.970 484 R CB -0.282 29.970 30.300 -0.081 0.000 0.864 484 R HN 0.312 nan 8.270 nan 0.000 0.440 485 V N 0.393 120.243 119.914 -0.107 0.000 2.453 485 V HA -0.158 3.958 4.120 -0.006 0.000 0.247 485 V C 2.204 178.221 176.094 -0.128 0.000 1.048 485 V CA 1.796 63.979 62.300 -0.195 0.000 1.049 485 V CB -0.102 31.533 31.823 -0.314 0.000 0.672 485 V HN 0.331 nan 8.190 nan 0.000 0.457 486 S N 0.055 115.771 115.700 0.026 0.000 2.356 486 S HA -0.215 4.251 4.470 -0.006 0.000 0.223 486 S C 2.120 176.843 174.600 0.206 0.000 1.032 486 S CA 2.016 60.350 58.200 0.224 0.000 1.005 486 S CB -0.506 62.824 63.200 0.217 0.000 0.867 486 S HN 0.659 nan 8.310 nan 0.000 0.449 487 T N 2.211 116.818 114.554 0.089 0.000 2.759 487 T HA -0.030 4.316 4.350 -0.006 0.000 0.269 487 T C 1.708 176.432 174.700 0.041 0.000 1.042 487 T CA 1.183 63.312 62.100 0.049 0.000 1.140 487 T CB -0.258 68.610 68.868 -0.001 0.000 0.864 487 T HN 0.308 nan 8.240 nan 0.000 0.455 488 M N -0.390 119.217 119.600 0.011 0.000 2.447 488 M HA 0.134 4.610 4.480 -0.006 0.000 0.264 488 M C 1.919 178.365 176.300 0.242 0.000 1.095 488 M CA 0.735 56.015 55.300 -0.033 0.000 1.125 488 M CB -0.190 32.192 32.600 -0.364 0.000 1.389 488 M HN 0.262 nan 8.290 nan 0.000 0.459 489 F N 1.509 121.578 119.950 0.198 0.000 2.146 489 F HA -0.135 4.388 4.527 -0.007 0.000 0.298 489 F C 1.748 177.661 175.800 0.190 0.000 1.096 489 F CA 1.475 59.640 58.000 0.275 0.000 1.275 489 F CB -0.388 38.759 39.000 0.245 0.000 1.008 489 F HN -0.043 nan 8.300 nan 0.000 0.480 490 L N 0.114 121.313 121.223 -0.040 0.000 2.042 490 L HA -0.193 4.143 4.340 -0.006 0.000 0.210 490 L C 2.568 179.358 176.870 -0.133 0.000 1.076 490 L CA 1.601 56.348 54.840 -0.155 0.000 0.749 490 L CB -0.810 41.256 42.059 0.012 0.000 0.893 490 L HN 0.164 nan 8.230 nan 0.000 0.432 491 E N 0.321 120.495 120.200 -0.044 0.000 2.208 491 E HA -0.213 4.133 4.350 -0.006 0.000 0.193 491 E C 2.193 178.783 176.600 -0.016 0.000 0.988 491 E CA 0.723 57.110 56.400 -0.021 0.000 0.828 491 E CB 0.150 29.849 29.700 -0.002 0.000 0.763 491 E HN 0.205 nan 8.360 nan 0.000 0.478 492 R N 0.366 120.862 120.500 -0.006 0.000 2.115 492 R HA 0.033 4.369 4.340 -0.006 0.000 0.226 492 R C 2.350 178.569 176.300 -0.134 0.000 1.100 492 R CA 0.686 56.785 56.100 -0.003 0.000 0.980 492 R CB -0.481 29.878 30.300 0.098 0.000 0.875 492 R HN 0.175 nan 8.270 nan 0.000 0.445 493 L N -0.155 120.896 121.223 -0.285 0.000 2.109 493 L HA -0.062 4.274 4.340 -0.006 0.000 0.207 493 L C 2.399 179.212 176.870 -0.094 0.000 1.086 493 L CA 1.137 55.825 54.840 -0.254 0.000 0.760 493 L CB -0.296 41.536 42.059 -0.378 0.000 0.910 493 L HN 0.221 nan 8.230 nan 0.000 0.437 494 R N 0.103 120.563 120.500 -0.067 0.000 2.113 494 R HA -0.210 4.127 4.340 -0.006 0.000 0.244 494 R C 1.630 177.935 176.300 0.009 0.000 1.142 494 R CA 1.847 57.940 56.100 -0.012 0.000 0.953 494 R CB -0.466 29.831 30.300 -0.005 0.000 0.860 494 R HN 0.388 nan 8.270 nan 0.000 0.438 495 D N 0.224 120.630 120.400 0.009 0.000 2.348 495 D HA -0.007 4.630 4.640 -0.006 0.000 0.216 495 D C 0.500 176.829 176.300 0.048 0.000 0.970 495 D CA 0.732 54.753 54.000 0.036 0.000 0.889 495 D CB 0.006 40.837 40.800 0.052 0.000 0.912 495 D HN 0.181 nan 8.370 nan 0.000 0.524 496 I N 2.834 123.424 120.570 0.035 0.000 2.395 496 I HA 0.099 4.265 4.170 -0.006 0.000 0.289 496 I C -1.985 174.179 176.117 0.078 0.000 1.023 496 I CA -1.970 59.371 61.300 0.069 0.000 1.350 496 I CB 1.210 39.248 38.000 0.062 0.000 1.409 496 I HN -0.259 nan 8.210 nan 0.000 0.507 497 P HA 0.013 nan 4.420 nan 0.000 0.266 497 P C 0.286 177.627 177.300 0.067 0.000 1.215 497 P CA -0.087 63.056 63.100 0.073 0.000 0.763 497 P CB 1.136 32.876 31.700 0.068 0.000 0.806 498 A N 4.919 127.780 122.820 0.067 0.000 2.032 498 A HA -0.215 4.101 4.320 -0.006 0.000 0.221 498 A C 1.913 179.514 177.584 0.029 0.000 1.165 498 A CA 1.503 53.580 52.037 0.068 0.000 0.645 498 A CB -0.828 18.244 19.000 0.121 0.000 0.807 498 A HN 0.651 nan 8.150 nan 0.000 0.453 499 E N 0.032 120.253 120.200 0.034 0.000 2.268 499 E HA -0.206 4.140 4.350 -0.006 0.000 0.195 499 E C 0.455 177.027 176.600 -0.046 0.000 0.995 499 E CA 1.342 57.748 56.400 0.010 0.000 0.836 499 E CB -0.502 29.209 29.700 0.018 0.000 0.763 499 E HN 0.523 nan 8.360 nan 0.000 0.491 500 D N 0.548 120.925 120.400 -0.038 0.000 2.289 500 D HA 0.057 4.693 4.640 -0.006 0.000 0.207 500 D C 1.959 178.177 176.300 -0.136 0.000 0.966 500 D CA 0.550 54.494 54.000 -0.093 0.000 0.868 500 D CB -0.103 40.721 40.800 0.041 0.000 0.943 500 D HN 0.240 nan 8.370 nan 0.000 0.514 501 M N -0.161 119.360 119.600 -0.131 0.000 2.229 501 M HA -0.108 4.368 4.480 -0.006 0.000 0.264 501 M C 1.918 177.883 176.300 -0.560 0.000 1.063 501 M CA 0.602 55.737 55.300 -0.275 0.000 1.114 501 M CB -0.055 32.222 32.600 -0.539 0.000 1.387 501 M HN 0.040 nan 8.290 nan 0.000 0.420 502 L N 1.042 121.932 121.223 -0.554 0.000 2.042 502 L HA -0.228 4.108 4.340 -0.006 0.000 0.210 502 L C 1.823 178.674 176.870 -0.032 0.000 1.076 502 L CA 2.004 56.714 54.840 -0.218 0.000 0.749 502 L CB -0.796 41.273 42.059 0.017 0.000 0.893 502 L HN 0.262 nan 8.230 nan 0.000 0.432 503 D N -1.374 118.929 120.400 -0.161 0.000 2.097 503 D HA -0.228 4.408 4.640 -0.006 0.000 0.197 503 D C 2.044 178.258 176.300 -0.144 0.000 0.984 503 D CA 1.794 55.662 54.000 -0.220 0.000 0.826 503 D CB -0.361 40.167 40.800 -0.453 0.000 0.973 503 D HN 0.502 nan 8.370 nan 0.000 0.460 504 W N 0.672 121.973 121.300 0.001 0.000 2.335 504 W HA -0.231 4.425 4.660 -0.007 0.000 0.311 504 W C 2.409 178.978 176.519 0.083 0.000 1.213 504 W CA 0.369 57.733 57.345 0.031 0.000 1.274 504 W CB -0.741 28.736 29.460 0.028 0.000 1.148 504 W HN 0.045 nan 8.180 nan 0.000 0.498 505 Y N 1.331 121.766 120.300 0.225 0.000 2.053 505 Y HA -0.321 4.225 4.550 -0.006 0.000 0.277 505 Y C 2.683 178.680 175.900 0.163 0.000 1.159 505 Y CA 2.110 60.352 58.100 0.237 0.000 1.125 505 Y CB -0.649 37.998 38.460 0.313 0.000 0.969 505 Y HN -0.201 nan 8.280 nan 0.000 0.492 506 R N -0.321 120.323 120.500 0.240 0.000 2.083 506 R HA -0.204 4.132 4.340 -0.006 0.000 0.237 506 R C 2.250 178.550 176.300 -0.001 0.000 1.137 506 R CA 1.694 57.848 56.100 0.091 0.000 0.951 506 R CB -0.791 29.582 30.300 0.121 0.000 0.851 506 R HN 0.458 nan 8.270 nan 0.000 0.434 507 L N 0.348 121.598 121.223 0.045 0.000 2.079 507 L HA -0.082 4.254 4.340 -0.006 0.000 0.210 507 L C 2.018 178.920 176.870 0.053 0.000 1.081 507 L CA 2.286 57.154 54.840 0.047 0.000 0.752 507 L CB -0.901 41.218 42.059 0.100 0.000 0.896 507 L HN 0.172 nan 8.230 nan 0.000 0.433 508 G N -0.320 108.509 108.800 0.050 0.000 2.434 508 G HA2 -0.277 3.679 3.960 -0.006 0.000 0.214 508 G HA3 -0.277 3.679 3.960 -0.006 0.000 0.214 508 G C 1.702 176.567 174.900 -0.058 0.000 1.202 508 G CA 0.958 46.094 45.100 0.060 0.000 0.788 508 G HN 0.472 nan 8.290 nan 0.000 0.539 509 I N 0.091 120.394 120.570 -0.445 0.000 2.286 509 I HA -0.192 3.974 4.170 -0.006 0.000 0.248 509 I C 2.889 178.856 176.117 -0.250 0.000 1.115 509 I CA 1.641 62.515 61.300 -0.710 0.000 1.392 509 I CB -0.013 37.439 38.000 -0.913 0.000 1.065 509 I HN 0.230 nan 8.210 nan 0.000 0.418 510 Q N 0.404 120.139 119.800 -0.107 0.000 2.112 510 Q HA -0.306 4.030 4.340 -0.006 0.000 0.206 510 Q C 1.992 178.011 176.000 0.032 0.000 0.987 510 Q CA 2.394 58.197 55.803 0.001 0.000 0.858 510 Q CB -0.510 28.235 28.738 0.012 0.000 0.905 510 Q HN 0.595 nan 8.270 nan 0.000 0.420 511 F N -0.365 119.535 119.950 -0.083 0.000 2.206 511 F HA -0.040 4.484 4.527 -0.006 0.000 0.298 511 F C 2.037 177.814 175.800 -0.039 0.000 1.090 511 F CA 1.464 59.428 58.000 -0.061 0.000 1.323 511 F CB -0.406 38.566 39.000 -0.046 0.000 1.028 511 F HN -0.009 nan 8.300 nan 0.000 0.492 512 S N -0.630 114.996 115.700 -0.124 0.000 2.368 512 S HA -0.258 4.209 4.470 -0.006 0.000 0.225 512 S C 2.065 176.574 174.600 -0.153 0.000 1.030 512 S CA 1.406 59.507 58.200 -0.165 0.000 0.999 512 S CB -0.847 62.378 63.200 0.041 0.000 0.844 512 S HN 0.670 nan 8.310 nan 0.000 0.459 513 H N 1.949 120.902 119.070 -0.196 0.000 2.321 513 H HA -0.083 4.466 4.556 -0.011 0.000 0.300 513 H C 2.507 177.736 175.328 -0.165 0.000 1.087 513 H CA 1.672 57.629 56.048 -0.151 0.000 1.319 513 H CB -0.012 29.680 29.762 -0.116 0.000 1.379 513 H HN 0.375 nan 8.280 nan 0.000 0.501 514 R N -0.029 120.276 120.500 -0.325 0.000 2.115 514 R HA -0.023 4.313 4.340 -0.006 0.000 0.230 514 R C 2.056 178.164 176.300 -0.320 0.000 1.111 514 R CA 1.531 57.415 56.100 -0.360 0.000 0.976 514 R CB -0.316 29.837 30.300 -0.245 0.000 0.870 514 R HN 0.022 nan 8.270 nan 0.000 0.445 515 S N -0.081 115.366 115.700 -0.421 0.000 2.522 515 S HA 0.113 4.579 4.470 -0.006 0.000 0.227 515 S C 0.892 175.354 174.600 -0.230 0.000 0.986 515 S CA 0.788 58.753 58.200 -0.392 0.000 0.929 515 S CB 0.078 62.883 63.200 -0.658 0.000 0.769 515 S HN 0.783 nan 8.310 nan 0.000 0.529 516 G N 1.481 110.170 108.800 -0.185 0.000 2.272 516 G HA2 -0.216 3.740 3.960 -0.006 0.000 0.280 516 G HA3 -0.216 3.740 3.960 -0.006 0.000 0.280 516 G C 0.202 175.057 174.900 -0.075 0.000 1.067 516 G CA 0.505 45.547 45.100 -0.097 0.000 0.902 516 G HN 0.657 nan 8.290 nan 0.000 0.500 517 L N -3.120 118.054 121.223 -0.082 0.000 3.184 517 L HA 0.862 5.198 4.340 -0.006 0.000 0.283 517 L C 0.324 177.180 176.870 -0.024 0.000 1.218 517 L CA 0.016 54.818 54.840 -0.062 0.000 1.028 517 L CB 0.404 42.409 42.059 -0.090 0.000 1.400 517 L HN 0.303 nan 8.230 nan 0.000 0.591 518 S N -1.263 114.437 115.700 0.001 0.000 2.578 518 S HA 0.758 5.224 4.470 -0.006 0.000 0.272 518 S C -0.257 174.356 174.600 0.021 0.000 1.145 518 S CA -0.288 57.925 58.200 0.021 0.000 0.835 518 S CB 1.135 64.368 63.200 0.055 0.000 1.104 518 S HN 0.458 nan 8.310 nan 0.000 0.458 525 S N -0.315 115.412 115.700 0.046 0.000 2.593 525 S HA 0.673 5.139 4.470 -0.006 0.000 0.297 525 S C 1.076 175.715 174.600 0.066 0.000 1.112 525 S CA -0.088 58.137 58.200 0.041 0.000 1.043 525 S CB 2.331 65.553 63.200 0.038 0.000 1.054 525 S HN 0.107 nan 8.310 nan 0.000 0.516 526 V N 1.564 121.527 119.914 0.082 0.000 2.392 526 V HA -0.194 3.922 4.120 -0.006 0.000 0.249 526 V C 2.134 178.308 176.094 0.134 0.000 1.059 526 V CA 1.716 64.095 62.300 0.132 0.000 1.051 526 V CB -1.334 30.634 31.823 0.242 0.000 0.658 526 V HN 0.866 nan 8.190 nan 0.000 0.455 527 I N 0.261 120.892 120.570 0.102 0.000 2.163 527 I HA -0.237 3.929 4.170 -0.006 0.000 0.243 527 I C 2.468 178.593 176.117 0.013 0.000 1.085 527 I CA 1.853 63.190 61.300 0.062 0.000 1.347 527 I CB -0.534 37.489 38.000 0.039 0.000 1.044 527 I HN 0.314 nan 8.210 nan 0.000 0.408 528 D N 0.929 121.327 120.400 -0.003 0.000 2.097 528 D HA -0.136 4.500 4.640 -0.006 0.000 0.195 528 D C 2.277 178.520 176.300 -0.095 0.000 0.989 528 D CA 1.406 55.351 54.000 -0.092 0.000 0.827 528 D CB -0.160 40.625 40.800 -0.025 0.000 0.966 528 D HN 0.323 nan 8.370 nan 0.000 0.456 529 I N 0.414 121.073 120.570 0.148 0.000 2.208 529 I HA -0.290 3.877 4.170 -0.006 0.000 0.245 529 I C 2.356 178.665 176.117 0.321 0.000 1.097 529 I CA 0.814 62.346 61.300 0.387 0.000 1.363 529 I CB -0.122 38.077 38.000 0.331 0.000 1.051 529 I HN -0.039 nan 8.210 nan 0.000 0.413 530 M N 0.192 119.922 119.600 0.217 0.000 2.279 530 M HA -0.154 4.322 4.480 -0.006 0.000 0.264 530 M C 2.149 178.547 176.300 0.164 0.000 1.062 530 M CA 1.905 57.360 55.300 0.257 0.000 1.099 530 M CB -0.669 32.072 32.600 0.235 0.000 1.394 530 M HN 0.143 nan 8.290 nan 0.000 0.426 531 T N -1.380 113.154 114.554 -0.034 0.000 2.942 531 T HA -0.073 4.273 4.350 -0.006 0.000 0.265 531 T C 1.573 176.192 174.700 -0.136 0.000 1.062 531 T CA 1.051 63.036 62.100 -0.191 0.000 1.139 531 T CB -0.363 68.322 68.868 -0.304 0.000 0.883 531 T HN 0.369 nan 8.240 nan 0.000 0.468 532 H N 1.011 120.102 119.070 0.036 0.000 2.363 532 H HA 0.184 4.738 4.556 -0.003 0.000 0.301 532 H C 2.316 177.689 175.328 0.075 0.000 1.074 532 H CA 0.663 56.702 56.048 -0.016 0.000 1.354 532 H CB -0.582 29.049 29.762 -0.218 0.000 1.397 532 H HN 0.277 nan 8.280 nan 0.000 0.516 533 L N 0.127 121.558 121.223 0.347 0.000 2.042 533 L HA -0.173 4.163 4.340 -0.006 0.000 0.210 533 L C 2.790 179.835 176.870 0.292 0.000 1.076 533 L CA 1.020 56.085 54.840 0.376 0.000 0.749 533 L CB -0.455 41.879 42.059 0.459 0.000 0.893 533 L HN 0.226 nan 8.230 nan 0.000 0.432 534 A N 0.217 123.131 122.820 0.157 0.000 1.845 534 A HA -0.214 4.102 4.320 -0.006 0.000 0.215 534 A C 2.345 179.837 177.584 -0.153 0.000 1.195 534 A CA 1.590 53.471 52.037 -0.259 0.000 0.616 534 A CB -0.521 18.013 19.000 -0.776 0.000 0.832 534 A HN 0.301 nan 8.150 nan 0.000 0.443 535 R N -0.712 119.710 120.500 -0.131 0.000 2.105 535 R HA -0.098 4.239 4.340 -0.006 0.000 0.239 535 R C 2.342 178.637 176.300 -0.008 0.000 1.135 535 R CA 1.052 57.097 56.100 -0.093 0.000 0.967 535 R CB -0.674 29.601 30.300 -0.042 0.000 0.861 535 R HN 0.558 nan 8.270 nan 0.000 0.442 536 G N 1.312 110.156 108.800 0.074 0.000 2.514 536 G HA2 -0.263 3.693 3.960 -0.006 0.000 0.217 536 G HA3 -0.263 3.693 3.960 -0.006 0.000 0.217 536 G C 1.383 176.317 174.900 0.058 0.000 1.198 536 G CA 0.717 45.916 45.100 0.166 0.000 0.780 536 G HN 0.150 nan 8.290 nan 0.000 0.565 537 L N -0.887 120.245 121.223 -0.152 0.000 2.093 537 L HA -0.028 4.309 4.340 -0.006 0.000 0.208 537 L C 2.660 179.403 176.870 -0.212 0.000 1.085 537 L CA 0.905 55.458 54.840 -0.478 0.000 0.755 537 L CB -0.390 41.435 42.059 -0.390 0.000 0.904 537 L HN 0.478 nan 8.230 nan 0.000 0.435 538 W N 1.091 122.264 121.300 -0.212 0.000 2.332 538 W HA -0.237 4.418 4.660 -0.009 0.000 0.321 538 W C 2.112 178.548 176.519 -0.139 0.000 1.219 538 W CA 1.635 58.883 57.345 -0.163 0.000 1.277 538 W CB -0.326 29.042 29.460 -0.153 0.000 1.161 538 W HN 0.105 nan 8.180 nan 0.000 0.476 539 L N 0.245 121.493 121.223 0.043 0.000 2.141 539 L HA -0.039 4.297 4.340 -0.006 0.000 0.209 539 L C 2.144 179.034 176.870 0.034 0.000 1.094 539 L CA 1.684 56.518 54.840 -0.010 0.000 0.763 539 L CB -0.950 41.040 42.059 -0.114 0.000 0.908 539 L HN 0.166 nan 8.230 nan 0.000 0.437 540 G N -1.867 106.965 108.800 0.053 0.000 4.299 540 G HA2 0.117 4.073 3.960 -0.006 0.000 0.290 540 G HA3 0.117 4.073 3.960 -0.006 0.000 0.290 540 G C -0.005 175.029 174.900 0.223 0.000 1.019 540 G CA -0.209 45.016 45.100 0.208 0.000 0.790 540 G HN 0.018 nan 8.290 nan 0.000 0.452 541 S N 2.058 117.716 115.700 -0.070 0.000 2.560 541 S HA 0.206 4.672 4.470 -0.006 0.000 0.284 541 S C -0.551 174.070 174.600 0.035 0.000 1.327 541 S CA -0.531 57.607 58.200 -0.102 0.000 1.055 541 S CB 1.842 64.872 63.200 -0.283 0.000 0.868 541 S HN 0.247 nan 8.310 nan 0.000 0.506 542 P HA 0.136 nan 4.420 nan 0.000 0.218 542 P C 0.617 177.927 177.300 0.016 0.000 1.152 542 P CA 0.810 63.963 63.100 0.088 0.000 0.826 542 P CB 0.138 31.904 31.700 0.110 0.000 0.790 543 G N -0.894 107.889 108.800 -0.028 0.000 2.340 543 G HA2 0.465 4.421 3.960 -0.006 0.000 0.299 543 G HA3 0.465 4.421 3.960 -0.006 0.000 0.299 543 G C -1.932 172.911 174.900 -0.095 0.000 1.291 543 G CA -0.776 44.277 45.100 -0.078 0.000 0.841 543 G HN 0.141 nan 8.290 nan 0.000 0.500 544 F N -1.172 118.715 119.950 -0.105 0.000 2.577 544 F HA 0.853 5.376 4.527 -0.007 0.000 0.318 544 F C -1.354 174.404 175.800 -0.070 0.000 1.065 544 F CA -2.104 55.785 58.000 -0.184 0.000 0.929 544 F CB 1.120 40.068 39.000 -0.086 0.000 1.237 544 F HN 0.455 nan 8.300 nan 0.000 0.468 545 Y N 1.500 121.948 120.300 0.248 0.000 2.299 545 Y HA 0.514 5.061 4.550 -0.006 0.000 0.326 545 Y C 0.231 176.283 175.900 0.253 0.000 1.164 545 Y CA -1.850 56.342 58.100 0.154 0.000 1.234 545 Y CB 1.028 39.547 38.460 0.099 0.000 1.219 545 Y HN 0.619 nan 8.280 nan 0.000 0.497 546 V N 0.157 120.267 119.914 0.327 0.000 2.370 546 V HA 0.477 4.593 4.120 -0.006 0.000 0.279 546 V C 0.091 176.270 176.094 0.141 0.000 1.029 546 V CA -1.193 61.248 62.300 0.235 0.000 0.870 546 V CB 1.102 33.037 31.823 0.186 0.000 0.984 546 V HN 0.693 nan 8.190 nan 0.000 0.451 559 P HA 0.429 nan 4.420 nan 0.000 0.323 559 P C -0.390 176.887 177.300 -0.039 0.000 1.309 559 P CA 0.094 63.125 63.100 -0.115 0.000 0.739 559 P CB 0.513 32.134 31.700 -0.132 0.000 1.454 560 T N 0.055 114.615 114.554 0.009 0.000 2.882 560 T HA 0.482 4.828 4.350 -0.006 0.000 0.287 560 T C 0.420 175.071 174.700 -0.083 0.000 0.992 560 T CA -0.284 61.845 62.100 0.049 0.000 1.076 560 T CB 0.226 69.187 68.868 0.155 0.000 0.961 560 T HN 0.164 nan 8.240 nan 0.000 0.490 561 I N 5.359 125.760 120.570 -0.281 0.000 2.331 561 I HA 0.292 4.458 4.170 -0.006 0.000 0.292 561 I C -2.002 173.908 176.117 -0.344 0.000 0.998 561 I CA -2.507 58.582 61.300 -0.352 0.000 1.267 561 I CB 1.375 38.989 38.000 -0.642 0.000 1.386 561 I HN 0.339 nan 8.210 nan 0.000 0.476 562 P HA 0.135 nan 4.420 nan 0.000 0.285 562 P C -0.603 176.745 177.300 0.080 0.000 1.259 562 P CA -0.266 62.830 63.100 -0.007 0.000 0.794 562 P CB 1.534 33.245 31.700 0.018 0.000 0.940 563 V N 5.680 125.628 119.914 0.057 0.000 2.288 563 V HA 0.087 4.203 4.120 -0.006 0.000 0.266 563 V C 0.834 176.928 176.094 -0.000 0.000 1.048 563 V CA -0.088 62.278 62.300 0.109 0.000 0.842 563 V CB 0.157 32.055 31.823 0.125 0.000 1.064 563 V HN 0.416 nan 8.190 nan 0.000 0.472 564 L N 2.966 124.231 121.223 0.068 0.000 3.366 564 L HA 0.369 4.705 4.340 -0.006 0.000 0.304 564 L C 1.049 177.991 176.870 0.119 0.000 1.292 564 L CA -0.126 54.768 54.840 0.091 0.000 1.012 564 L CB -0.935 41.179 42.059 0.093 0.000 1.414 564 L HN 0.435 nan 8.230 nan 0.000 0.603 565 Y N -1.821 118.593 120.300 0.190 0.000 2.497 565 Y HA 0.137 4.684 4.550 -0.006 0.000 0.292 565 Y C 1.982 177.943 175.900 0.103 0.000 1.137 565 Y CA 0.462 58.679 58.100 0.196 0.000 1.285 565 Y CB -0.646 37.895 38.460 0.136 0.000 0.991 565 Y HN 0.286 nan 8.280 nan 0.000 0.556 566 I N -0.571 119.814 120.570 -0.309 0.000 2.614 566 I HA -0.249 3.917 4.170 -0.006 0.000 0.258 566 I C 1.272 177.188 176.117 -0.335 0.000 1.189 566 I CA 1.171 62.231 61.300 -0.400 0.000 1.462 566 I CB -0.115 37.376 38.000 -0.849 0.000 1.092 566 I HN 0.183 nan 8.210 nan 0.000 0.442 567 Y N -1.128 119.087 120.300 -0.140 0.000 2.519 567 Y HA -0.048 4.498 4.550 -0.008 0.000 0.287 567 Y C 2.193 178.005 175.900 -0.147 0.000 1.128 567 Y CA 0.744 58.751 58.100 -0.156 0.000 1.282 567 Y CB -0.235 38.085 38.460 -0.234 0.000 1.027 567 Y HN 0.221 nan 8.280 nan 0.000 0.551 568 H N 0.016 119.167 119.070 0.136 0.000 2.551 568 H HA 0.147 4.700 4.556 -0.005 0.000 0.266 568 H C 0.410 175.794 175.328 0.095 0.000 0.977 568 H CA 0.141 56.257 56.048 0.113 0.000 1.163 568 H CB 0.189 30.022 29.762 0.119 0.000 1.381 568 H HN 0.179 nan 8.280 nan 0.000 0.581 569 R N 1.320 121.924 120.500 0.173 0.000 2.522 569 R HA -0.028 4.308 4.340 -0.006 0.000 0.284 569 R C 1.377 177.761 176.300 0.140 0.000 1.032 569 R CA 0.346 56.531 56.100 0.142 0.000 1.049 569 R CB 0.515 30.886 30.300 0.118 0.000 0.956 569 R HN 0.212 nan 8.270 nan 0.000 0.422 570 S N 0.904 116.680 115.700 0.127 0.000 2.595 570 S HA -0.022 4.445 4.470 -0.006 0.000 0.235 570 S C 0.693 175.352 174.600 0.098 0.000 0.974 570 S CA -0.039 58.224 58.200 0.104 0.000 0.942 570 S CB 0.220 63.472 63.200 0.086 0.000 0.766 570 S HN 0.302 nan 8.310 nan 0.000 0.536 571 V N 2.655 122.650 119.914 0.134 0.000 2.340 571 V HA 0.368 4.484 4.120 -0.006 0.000 0.277 571 V C -0.542 175.627 176.094 0.124 0.000 1.017 571 V CA -0.797 61.573 62.300 0.117 0.000 0.820 571 V CB 1.224 33.122 31.823 0.125 0.000 1.028 571 V HN 0.236 nan 8.190 nan 0.000 0.436 572 Q N 1.547 121.383 119.800 0.059 0.000 2.354 572 Q HA 0.339 4.675 4.340 -0.006 0.000 0.244 572 Q C 0.034 175.999 176.000 -0.059 0.000 0.969 572 Q CA -0.156 55.672 55.803 0.042 0.000 0.885 572 Q CB 2.017 30.792 28.738 0.061 0.000 1.241 572 Q HN 0.790 nan 8.270 nan 0.000 0.461 573 C N 4.176 123.458 119.300 -0.030 0.000 2.816 573 C HA 0.412 4.868 4.460 -0.006 0.000 0.255 573 C C -1.653 173.390 174.990 0.088 0.000 1.141 573 C CA -1.705 57.283 59.018 -0.050 0.000 1.554 573 C CB -0.357 27.285 27.740 -0.164 0.000 1.778 573 C HN 0.579 nan 8.230 nan 0.000 0.429 574 P HA -0.067 nan 4.420 nan 0.000 0.223 574 P C 1.618 178.942 177.300 0.039 0.000 1.151 574 P CA 1.037 64.181 63.100 0.073 0.000 0.787 574 P CB 0.140 31.868 31.700 0.046 0.000 0.788 575 V N -0.572 119.345 119.914 0.005 0.000 2.287 575 V HA -0.232 3.884 4.120 -0.006 0.000 0.248 575 V C 2.316 178.384 176.094 -0.042 0.000 1.053 575 V CA 1.775 64.064 62.300 -0.018 0.000 1.027 575 V CB -1.139 30.664 31.823 -0.033 0.000 0.646 575 V HN 0.089 nan 8.190 nan 0.000 0.447 576 L N -2.160 119.004 121.223 -0.098 0.000 2.189 576 L HA 0.041 4.377 4.340 -0.006 0.000 0.199 576 L C 2.446 179.114 176.870 -0.337 0.000 1.074 576 L CA 1.231 55.898 54.840 -0.289 0.000 0.783 576 L CB -0.401 41.317 42.059 -0.568 0.000 0.955 576 L HN 0.259 nan 8.230 nan 0.000 0.460 577 Y N -0.045 120.276 120.300 0.034 0.000 2.476 577 Y HA 0.324 4.870 4.550 -0.007 0.000 0.283 577 Y C 1.685 177.679 175.900 0.158 0.000 1.109 577 Y CA 0.365 58.496 58.100 0.051 0.000 1.246 577 Y CB -0.448 37.916 38.460 -0.160 0.000 1.068 577 Y HN 0.246 nan 8.280 nan 0.000 0.552 578 G N 0.200 109.139 108.800 0.230 0.000 2.562 578 G HA2 -0.182 3.774 3.960 -0.006 0.000 0.250 578 G HA3 -0.182 3.774 3.960 -0.006 0.000 0.250 578 G C -0.252 174.807 174.900 0.266 0.000 1.269 578 G CA -0.130 45.079 45.100 0.181 0.000 0.919 578 G HN 0.271 nan 8.290 nan 0.000 0.574 579 S N -1.174 114.621 115.700 0.157 0.000 2.595 579 S HA 0.655 5.121 4.470 -0.006 0.000 0.281 579 S C -0.178 174.382 174.600 -0.066 0.000 1.117 579 S CA -0.620 57.639 58.200 0.098 0.000 0.873 579 S CB 1.440 64.676 63.200 0.060 0.000 1.108 579 S HN 0.858 nan 8.310 nan 0.000 0.477 580 L N 3.458 124.568 121.223 -0.189 0.000 2.302 580 L HA 0.459 4.795 4.340 -0.006 0.000 0.285 580 L C 0.558 177.344 176.870 -0.140 0.000 1.090 580 L CA -0.210 54.477 54.840 -0.255 0.000 0.866 580 L CB -0.555 41.246 42.059 -0.429 0.000 1.244 580 L HN 1.071 nan 8.230 nan 0.000 0.435 586 G N 3.109 111.896 108.800 -0.022 0.000 2.606 586 G HA2 -0.128 3.828 3.960 -0.006 0.000 0.285 586 G HA3 -0.128 3.828 3.960 -0.006 0.000 0.285 586 G C -1.283 173.585 174.900 -0.054 0.000 1.311 586 G CA 0.554 45.639 45.100 -0.026 0.000 0.922 586 G HN 0.490 nan 8.290 nan 0.000 0.559 587 P HA 0.235 nan 4.420 nan 0.000 0.220 587 P C 1.944 179.133 177.300 -0.185 0.000 1.115 587 P CA 1.242 64.257 63.100 -0.141 0.000 0.942 587 P CB 0.207 31.801 31.700 -0.176 0.000 0.888 588 V N 1.096 120.917 119.914 -0.156 0.000 2.346 588 V HA -0.091 4.025 4.120 -0.006 0.000 0.244 588 V C 2.732 178.840 176.094 0.023 0.000 1.037 588 V CA 2.116 64.353 62.300 -0.105 0.000 1.029 588 V CB -1.563 30.259 31.823 -0.002 0.000 0.663 588 V HN 0.063 nan 8.190 nan 0.000 0.454 589 A N 0.711 123.564 122.820 0.055 0.000 1.978 589 A HA -0.228 4.088 4.320 -0.006 0.000 0.220 589 A C 2.536 180.084 177.584 -0.060 0.000 1.170 589 A CA 2.319 54.377 52.037 0.035 0.000 0.636 589 A CB -0.698 18.319 19.000 0.028 0.000 0.810 589 A HN 0.696 nan 8.150 nan 0.000 0.448 590 S N -0.109 115.559 115.700 -0.055 0.000 2.368 590 S HA -0.170 4.296 4.470 -0.006 0.000 0.224 590 S C 1.871 176.446 174.600 -0.043 0.000 1.029 590 S CA 1.413 59.577 58.200 -0.060 0.000 0.988 590 S CB -0.376 62.788 63.200 -0.061 0.000 0.838 590 S HN 0.605 nan 8.310 nan 0.000 0.462 591 K N 0.732 121.115 120.400 -0.028 0.000 2.097 591 K HA -0.005 4.312 4.320 -0.006 0.000 0.206 591 K C 2.147 178.758 176.600 0.018 0.000 1.049 591 K CA 1.435 57.727 56.287 0.009 0.000 0.933 591 K CB -0.523 32.006 32.500 0.048 0.000 0.717 591 K HN 0.311 nan 8.250 nan 0.000 0.442 592 V N 1.533 121.453 119.914 0.010 0.000 2.307 592 V HA -0.234 3.883 4.120 -0.006 0.000 0.245 592 V C 2.210 178.272 176.094 -0.054 0.000 1.045 592 V CA 1.376 63.669 62.300 -0.011 0.000 1.024 592 V CB -0.419 31.398 31.823 -0.010 0.000 0.651 592 V HN 0.220 nan 8.190 nan 0.000 0.449 593 L N 0.636 121.802 121.223 -0.095 0.000 2.043 593 L HA -0.187 4.149 4.340 -0.006 0.000 0.212 593 L C 2.542 179.417 176.870 0.009 0.000 1.075 593 L CA 2.288 57.086 54.840 -0.071 0.000 0.752 593 L CB -0.835 41.163 42.059 -0.101 0.000 0.891 593 L HN 0.267 nan 8.230 nan 0.000 0.432 594 A N -0.547 122.269 122.820 -0.007 0.000 1.873 594 A HA -0.255 4.061 4.320 -0.006 0.000 0.218 594 A C 2.244 179.830 177.584 0.003 0.000 1.193 594 A CA 2.302 54.339 52.037 0.000 0.000 0.629 594 A CB -1.078 17.924 19.000 0.002 0.000 0.826 594 A HN 0.485 nan 8.150 nan 0.000 0.447 595 L N -2.209 119.020 121.223 0.010 0.000 2.191 595 L HA -0.191 4.145 4.340 -0.006 0.000 0.212 595 L C 2.596 179.453 176.870 -0.022 0.000 1.103 595 L CA 1.719 56.561 54.840 0.003 0.000 0.769 595 L CB -0.575 41.489 42.059 0.007 0.000 0.908 595 L HN 0.662 nan 8.230 nan 0.000 0.438 596 Y N 1.033 121.224 120.300 -0.181 0.000 2.184 596 Y HA -0.186 4.361 4.550 -0.005 0.000 0.290 596 Y C 2.460 178.230 175.900 -0.218 0.000 1.129 596 Y CA 1.480 59.394 58.100 -0.311 0.000 1.144 596 Y CB -0.084 38.147 38.460 -0.382 0.000 0.995 596 Y HN 0.112 nan 8.280 nan 0.000 0.513 597 E N 0.001 120.096 120.200 -0.174 0.000 2.204 597 E HA -0.175 4.171 4.350 -0.006 0.000 0.194 597 E C 1.900 178.405 176.600 -0.157 0.000 0.989 597 E CA 1.023 57.299 56.400 -0.206 0.000 0.824 597 E CB -0.018 29.645 29.700 -0.061 0.000 0.756 597 E HN 0.484 nan 8.360 nan 0.000 0.477 598 K N 0.221 120.560 120.400 -0.101 0.000 2.305 598 K HA 0.027 4.343 4.320 -0.006 0.000 0.199 598 K C 1.931 178.512 176.600 -0.033 0.000 1.047 598 K CA 0.352 56.610 56.287 -0.048 0.000 0.976 598 K CB 0.208 32.697 32.500 -0.017 0.000 0.765 598 K HN 0.112 nan 8.250 nan 0.000 0.474 599 I N 0.749 121.269 120.570 -0.085 0.000 3.030 599 I HA -0.121 4.045 4.170 -0.006 0.000 0.270 599 I C 1.428 177.553 176.117 0.014 0.000 1.211 599 I CA 0.554 61.843 61.300 -0.019 0.000 1.479 599 I CB 0.339 38.345 38.000 0.010 0.000 1.105 599 I HN 0.103 nan 8.210 nan 0.000 0.447 600 L N 0.104 121.251 121.223 -0.127 0.000 2.209 600 L HA 0.024 4.360 4.340 -0.006 0.000 0.207 600 L C 2.705 179.560 176.870 -0.026 0.000 1.094 600 L CA 0.898 55.676 54.840 -0.104 0.000 0.790 600 L CB -0.699 41.195 42.059 -0.275 0.000 0.932 600 L HN 0.188 nan 8.230 nan 0.000 0.447 601 A N -0.290 122.513 122.820 -0.028 0.000 1.972 601 A HA -0.236 4.080 4.320 -0.006 0.000 0.219 601 A C 1.075 178.678 177.584 0.031 0.000 1.169 601 A CA 0.478 52.511 52.037 -0.007 0.000 0.635 601 A CB -0.750 18.243 19.000 -0.011 0.000 0.810 601 A HN 0.383 nan 8.150 nan 0.000 0.446 602 Y N 1.065 121.344 120.300 -0.036 0.000 2.810 602 Y HA 0.251 4.797 4.550 -0.007 0.000 0.332 602 Y C 0.036 175.926 175.900 -0.016 0.000 1.243 602 Y CA 0.153 58.242 58.100 -0.019 0.000 1.537 602 Y CB 0.235 38.693 38.460 -0.003 0.000 1.265 602 Y HN 0.237 nan 8.280 nan 0.000 0.572 603 E N 4.436 124.223 120.200 -0.689 0.000 2.186 603 E HA 0.249 4.595 4.350 -0.006 0.000 0.255 603 E C -0.733 175.407 176.600 -0.767 0.000 0.881 603 E CA -0.449 55.631 56.400 -0.534 0.000 0.752 603 E CB 0.657 30.179 29.700 -0.297 0.000 1.176 603 E HN 0.632 nan 8.360 nan 0.000 0.421 604 S N 2.222 117.569 115.700 -0.588 0.000 2.589 604 S HA 0.023 4.489 4.470 -0.006 0.000 0.265 604 S C 1.119 175.564 174.600 -0.258 0.000 1.342 604 S CA 0.187 58.170 58.200 -0.363 0.000 1.005 604 S CB 1.009 64.225 63.200 0.026 0.000 0.909 604 S HN 0.479 nan 8.310 nan 0.000 0.555 605 S N 0.798 116.425 115.700 -0.121 0.000 2.584 605 S HA 0.177 4.643 4.470 -0.006 0.000 0.240 605 S C 1.601 176.145 174.600 -0.093 0.000 0.975 605 S CA 0.275 58.423 58.200 -0.087 0.000 0.949 605 S CB -1.475 61.716 63.200 -0.015 0.000 0.761 605 S HN 2.236 nan 8.310 nan 0.000 0.536 606 G N 0.707 109.418 108.800 -0.148 0.000 2.203 606 G HA2 -0.160 3.796 3.960 -0.006 0.000 0.263 606 G HA3 -0.160 3.796 3.960 -0.006 0.000 0.263 606 G C 0.463 175.343 174.900 -0.033 0.000 1.012 606 G CA 0.144 45.157 45.100 -0.145 0.000 0.749 606 G HN 1.042 nan 8.290 nan 0.000 0.512 607 G N -0.611 108.195 108.800 0.010 0.000 2.553 607 G HA2 0.550 4.506 3.960 -0.006 0.000 0.278 607 G HA3 0.550 4.506 3.960 -0.006 0.000 0.278 607 G C 1.387 176.328 174.900 0.069 0.000 1.349 607 G CA 0.850 45.972 45.100 0.036 0.000 1.037 607 G HN 1.156 nan 8.290 nan 0.000 0.508 608 S N -1.011 114.723 115.700 0.058 0.000 2.447 608 S HA -0.077 4.390 4.470 -0.006 0.000 0.233 608 S C 1.920 176.560 174.600 0.067 0.000 1.006 608 S CA 1.237 59.473 58.200 0.060 0.000 0.957 608 S CB -0.138 63.090 63.200 0.047 0.000 0.773 608 S HN 0.565 nan 8.310 nan 0.000 0.507 609 K N 0.902 121.347 120.400 0.076 0.000 2.009 609 K HA -0.183 4.133 4.320 -0.006 0.000 0.210 609 K C 2.194 178.839 176.600 0.075 0.000 1.049 609 K CA 1.772 58.103 56.287 0.073 0.000 0.929 609 K CB -0.434 32.116 32.500 0.083 0.000 0.714 609 K HN 0.565 nan 8.250 nan 0.000 0.440 610 H N 0.540 119.621 119.070 0.019 0.000 2.426 610 H HA -0.097 4.455 4.556 -0.007 0.000 0.298 610 H C 1.636 176.962 175.328 -0.003 0.000 1.107 610 H CA 1.798 57.852 56.048 0.011 0.000 1.298 610 H CB -0.005 29.764 29.762 0.010 0.000 1.377 610 H HN 0.155 nan 8.280 nan 0.000 0.519 611 I N -0.270 120.330 120.570 0.049 0.000 2.286 611 I HA -0.140 4.026 4.170 -0.006 0.000 0.245 611 I C 2.762 178.846 176.117 -0.055 0.000 1.104 611 I CA 0.811 62.108 61.300 -0.005 0.000 1.397 611 I CB -0.457 37.567 38.000 0.041 0.000 1.072 611 I HN 0.387 nan 8.210 nan 0.000 0.417 612 A N 1.070 123.870 122.820 -0.032 0.000 1.877 612 A HA -0.166 4.150 4.320 -0.006 0.000 0.216 612 A C 2.582 180.098 177.584 -0.113 0.000 1.186 612 A CA 1.910 53.919 52.037 -0.046 0.000 0.620 612 A CB -0.940 18.056 19.000 -0.007 0.000 0.822 612 A HN 0.409 nan 8.150 nan 0.000 0.443 613 A N -0.747 121.996 122.820 -0.128 0.000 1.917 613 A HA -0.279 4.037 4.320 -0.006 0.000 0.219 613 A C 2.142 179.593 177.584 -0.221 0.000 1.182 613 A CA 1.864 53.792 52.037 -0.181 0.000 0.633 613 A CB -0.678 18.220 19.000 -0.171 0.000 0.819 613 A HN 0.668 nan 8.150 nan 0.000 0.448 614 Q N -0.865 118.791 119.800 -0.240 0.000 2.096 614 Q HA -0.165 4.172 4.340 -0.006 0.000 0.204 614 Q C 2.346 178.254 176.000 -0.152 0.000 0.982 614 Q CA 2.226 57.907 55.803 -0.204 0.000 0.850 614 Q CB -0.452 28.171 28.738 -0.192 0.000 0.901 614 Q HN 0.909 nan 8.270 nan 0.000 0.422 615 T N -1.310 113.162 114.554 -0.136 0.000 2.821 615 T HA -0.068 4.278 4.350 -0.006 0.000 0.267 615 T C 2.013 176.598 174.700 -0.192 0.000 1.046 615 T CA 1.093 63.124 62.100 -0.115 0.000 1.139 615 T CB -0.530 68.297 68.868 -0.067 0.000 0.871 615 T HN 0.016 nan 8.240 nan 0.000 0.454 616 V N 1.923 121.654 119.914 -0.306 0.000 2.343 616 V HA -0.171 3.945 4.120 -0.006 0.000 0.247 616 V C 3.010 178.890 176.094 -0.357 0.000 1.051 616 V CA 1.936 63.918 62.300 -0.530 0.000 1.036 616 V CB -1.038 30.421 31.823 -0.607 0.000 0.654 616 V HN 0.630 nan 8.190 nan 0.000 0.451 617 S N -0.166 115.386 115.700 -0.247 0.000 2.399 617 S HA -0.182 4.284 4.470 -0.006 0.000 0.231 617 S C 1.983 176.521 174.600 -0.103 0.000 1.022 617 S CA 1.412 59.508 58.200 -0.173 0.000 0.983 617 S CB -0.230 62.882 63.200 -0.147 0.000 0.803 617 S HN 0.633 nan 8.310 nan 0.000 0.480 618 R N 0.024 120.473 120.500 -0.085 0.000 2.334 618 R HA 0.302 4.638 4.340 -0.006 0.000 0.216 618 R C 1.464 177.769 176.300 0.009 0.000 0.905 618 R CA 0.460 56.543 56.100 -0.029 0.000 1.064 618 R CB 0.095 30.382 30.300 -0.021 0.000 1.046 618 R HN 0.265 nan 8.270 nan 0.000 0.508 619 S N 0.693 116.385 115.700 -0.013 0.000 2.556 619 S HA 0.173 4.639 4.470 -0.006 0.000 0.216 619 S C 1.546 176.286 174.600 0.235 0.000 0.970 619 S CA -0.091 58.165 58.200 0.092 0.000 0.912 619 S CB 0.274 63.504 63.200 0.049 0.000 0.790 619 S HN 0.208 nan 8.310 nan 0.000 0.504 620 L N 1.287 122.617 121.223 0.178 0.000 2.353 620 L HA -0.035 4.301 4.340 -0.006 0.000 0.220 620 L C 1.658 178.815 176.870 0.477 0.000 1.133 620 L CA 0.657 55.716 54.840 0.366 0.000 0.798 620 L CB -0.983 41.185 42.059 0.182 0.000 0.922 620 L HN 0.378 nan 8.230 nan 0.000 0.445 621 A N -0.183 122.813 122.820 0.294 0.000 2.748 621 A HA -0.162 4.154 4.320 -0.006 0.000 0.297 621 A C 0.124 177.808 177.584 0.166 0.000 1.508 621 A CA 0.940 53.098 52.037 0.201 0.000 0.799 621 A CB -1.832 17.270 19.000 0.170 0.000 1.011 621 A HN 0.220 nan 8.150 nan 0.000 0.500 622 V N 0.713 120.734 119.914 0.179 0.000 2.891 622 V HA 0.535 4.652 4.120 -0.006 0.000 0.304 622 V C -2.290 173.867 176.094 0.104 0.000 1.171 622 V CA -0.994 61.395 62.300 0.148 0.000 0.943 622 V CB 2.487 34.445 31.823 0.225 0.000 1.037 622 V HN 0.454 nan 8.190 nan 0.000 0.427 623 P HA 0.308 nan 4.420 nan 0.000 0.266 623 P C -0.765 176.562 177.300 0.045 0.000 1.215 623 P CA 0.225 63.358 63.100 0.055 0.000 0.763 623 P CB 0.388 32.117 31.700 0.050 0.000 0.806 624 I N 1.854 122.441 120.570 0.028 0.000 2.648 624 I HA 0.619 4.785 4.170 -0.006 0.000 0.304 624 I C -2.161 173.963 176.117 0.013 0.000 1.009 624 I CA -3.152 58.149 61.300 0.002 0.000 1.114 624 I CB 1.376 39.363 38.000 -0.022 0.000 1.293 624 I HN 0.118 nan 8.210 nan 0.000 0.449 625 P HA 0.067 nan 4.420 nan 0.000 0.269 625 P C -0.264 177.076 177.300 0.066 0.000 1.217 625 P CA -0.178 62.953 63.100 0.052 0.000 0.783 625 P CB 0.510 32.261 31.700 0.085 0.000 0.898 626 S N -0.695 115.053 115.700 0.079 0.000 2.585 626 S HA 0.399 4.866 4.470 -0.006 0.000 0.273 626 S C 1.290 175.947 174.600 0.096 0.000 1.339 626 S CA 0.101 58.345 58.200 0.073 0.000 1.028 626 S CB 0.123 63.360 63.200 0.061 0.000 0.906 626 S HN 1.023 nan 8.310 nan 0.000 0.528 627 G N 1.046 109.899 108.800 0.088 0.000 2.180 627 G HA2 -0.307 3.649 3.960 -0.006 0.000 0.263 627 G HA3 -0.307 3.649 3.960 -0.006 0.000 0.263 627 G C 0.641 175.637 174.900 0.159 0.000 0.989 627 G CA 0.648 45.813 45.100 0.108 0.000 0.692 627 G HN 1.050 nan 8.290 nan 0.000 0.526 628 T N -0.558 114.088 114.554 0.155 0.000 3.107 628 T HA 0.344 4.690 4.350 -0.006 0.000 0.249 628 T C 2.388 177.184 174.700 0.160 0.000 1.096 628 T CA 1.038 63.260 62.100 0.204 0.000 1.012 628 T CB -0.137 68.813 68.868 0.137 0.000 0.977 628 T HN 0.358 nan 8.240 nan 0.000 0.527 629 I N 2.447 123.081 120.570 0.107 0.000 2.235 629 I HA 0.054 4.221 4.170 -0.006 0.000 0.241 629 I C -0.587 175.568 176.117 0.063 0.000 1.085 629 I CA 0.622 61.952 61.300 0.049 0.000 1.378 629 I CB -1.224 36.791 38.000 0.025 0.000 1.076 629 I HN 0.125 nan 8.210 nan 0.000 0.415 630 P HA -0.220 nan 4.420 nan 0.000 0.216 630 P C 1.887 179.285 177.300 0.163 0.000 1.150 630 P CA 1.598 64.760 63.100 0.104 0.000 0.837 630 P CB -0.192 31.564 31.700 0.094 0.000 0.786 631 F N 1.207 121.183 119.950 0.043 0.000 2.186 631 F HA -0.103 4.421 4.527 -0.006 0.000 0.299 631 F C 2.049 177.873 175.800 0.040 0.000 1.090 631 F CA 0.659 58.695 58.000 0.060 0.000 1.307 631 F CB -1.252 37.881 39.000 0.222 0.000 1.019 631 F HN -0.250 nan 8.300 nan 0.000 0.489 632 L N 0.584 121.742 121.223 -0.109 0.000 2.017 632 L HA -0.190 4.146 4.340 -0.006 0.000 0.208 632 L C 2.196 178.945 176.870 -0.201 0.000 1.073 632 L CA 1.731 56.420 54.840 -0.251 0.000 0.745 632 L CB -1.026 40.932 42.059 -0.167 0.000 0.894 632 L HN 0.099 nan 8.230 nan 0.000 0.432 633 I N -0.151 120.353 120.570 -0.110 0.000 2.163 633 I HA -0.263 3.903 4.170 -0.006 0.000 0.243 633 I C 2.656 178.738 176.117 -0.058 0.000 1.085 633 I CA 1.241 62.477 61.300 -0.106 0.000 1.347 633 I CB -1.573 36.375 38.000 -0.087 0.000 1.044 633 I HN 0.357 nan 8.210 nan 0.000 0.408 634 R N 0.840 121.345 120.500 0.009 0.000 2.083 634 R HA -0.120 4.216 4.340 -0.006 0.000 0.237 634 R C 2.360 178.651 176.300 -0.016 0.000 1.137 634 R CA 1.237 57.379 56.100 0.071 0.000 0.951 634 R CB -1.025 29.371 30.300 0.160 0.000 0.851 634 R HN 0.414 nan 8.270 nan 0.000 0.434 635 L N 0.507 121.648 121.223 -0.137 0.000 2.056 635 L HA -0.099 4.237 4.340 -0.006 0.000 0.207 635 L C 2.591 179.388 176.870 -0.121 0.000 1.078 635 L CA 0.862 55.604 54.840 -0.163 0.000 0.749 635 L CB -0.510 41.351 42.059 -0.330 0.000 0.901 635 L HN 0.117 nan 8.230 nan 0.000 0.433 636 L N -0.536 120.596 121.223 -0.153 0.000 2.079 636 L HA -0.258 4.078 4.340 -0.006 0.000 0.210 636 L C 2.792 179.618 176.870 -0.074 0.000 1.081 636 L CA 1.277 56.031 54.840 -0.144 0.000 0.752 636 L CB -0.465 41.479 42.059 -0.192 0.000 0.896 636 L HN 0.393 nan 8.230 nan 0.000 0.433 637 Q N -0.005 119.775 119.800 -0.034 0.000 2.002 637 Q HA -0.253 4.083 4.340 -0.006 0.000 0.204 637 Q C 2.341 178.369 176.000 0.045 0.000 0.988 637 Q CA 1.823 57.643 55.803 0.028 0.000 0.843 637 Q CB -0.279 28.514 28.738 0.091 0.000 0.908 637 Q HN 0.500 nan 8.270 nan 0.000 0.420 638 I N 0.817 121.408 120.570 0.035 0.000 2.185 638 I HA -0.351 3.815 4.170 -0.006 0.000 0.246 638 I C 2.385 178.569 176.117 0.112 0.000 1.088 638 I CA 1.274 62.609 61.300 0.058 0.000 1.347 638 I CB -0.387 37.634 38.000 0.036 0.000 1.041 638 I HN 0.207 nan 8.210 nan 0.000 0.415 639 A N 0.031 122.893 122.820 0.070 0.000 2.019 639 A HA -0.113 4.203 4.320 -0.006 0.000 0.219 639 A C 2.174 179.811 177.584 0.088 0.000 1.164 639 A CA 1.385 53.467 52.037 0.075 0.000 0.644 639 A CB -0.564 18.411 19.000 -0.040 0.000 0.805 639 A HN 0.463 nan 8.150 nan 0.000 0.449 640 L N -0.712 120.559 121.223 0.081 0.000 2.554 640 L HA 0.072 4.408 4.340 -0.006 0.000 0.225 640 L C 1.350 178.313 176.870 0.155 0.000 1.104 640 L CA 0.488 55.384 54.840 0.093 0.000 0.866 640 L CB 0.137 42.223 42.059 0.046 0.000 1.047 640 L HN 0.393 nan 8.230 nan 0.000 0.468 641 T N -0.971 113.679 114.554 0.161 0.000 2.856 641 T HA 0.192 4.539 4.350 -0.006 0.000 0.292 641 T C -1.326 173.453 174.700 0.131 0.000 0.980 641 T CA -1.901 60.270 62.100 0.118 0.000 1.091 641 T CB 1.349 70.262 68.868 0.075 0.000 0.936 641 T HN -0.132 nan 8.240 nan 0.000 0.503 642 P HA -0.167 nan 4.420 nan 0.000 0.214 642 P C 1.003 178.078 177.300 -0.375 0.000 1.163 642 P CA 1.540 64.510 63.100 -0.216 0.000 0.889 642 P CB 0.002 31.349 31.700 -0.588 0.000 0.790 643 H N -1.814 117.179 119.070 -0.128 0.000 2.553 643 H HA 0.197 4.749 4.556 -0.007 0.000 0.265 643 H C 1.735 176.951 175.328 -0.186 0.000 0.964 643 H CA 0.300 56.246 56.048 -0.169 0.000 1.156 643 H CB 0.215 29.918 29.762 -0.098 0.000 1.411 643 H HN 0.019 nan 8.280 nan 0.000 0.558 644 V N 0.672 120.551 119.914 -0.058 0.000 3.523 644 V HA -0.125 3.991 4.120 -0.006 0.000 0.255 644 V C 1.834 177.951 176.094 0.037 0.000 1.226 644 V CA 0.426 62.733 62.300 0.012 0.000 1.092 644 V CB -0.411 31.446 31.823 0.057 0.000 0.817 644 V HN 0.379 nan 8.190 nan 0.000 0.458 645 Y N 0.450 120.797 120.300 0.079 0.000 2.616 645 Y HA 0.010 4.556 4.550 -0.007 0.000 0.296 645 Y C 2.111 178.048 175.900 0.063 0.000 1.154 645 Y CA -0.020 58.120 58.100 0.067 0.000 1.325 645 Y CB -0.896 37.595 38.460 0.052 0.000 1.007 645 Y HN 0.158 nan 8.280 nan 0.000 0.542 646 Q N 1.878 121.644 119.800 -0.057 0.000 2.065 646 Q HA -0.258 4.078 4.340 -0.006 0.000 0.213 646 Q C 1.903 177.953 176.000 0.083 0.000 1.012 646 Q CA 2.435 58.248 55.803 0.016 0.000 0.876 646 Q CB -0.447 28.260 28.738 -0.051 0.000 0.954 646 Q HN 0.639 nan 8.270 nan 0.000 0.413 647 K N 0.118 120.545 120.400 0.046 0.000 2.217 647 K HA 0.031 4.348 4.320 -0.006 0.000 0.202 647 K C 2.325 178.896 176.600 -0.049 0.000 1.051 647 K CA 0.386 56.635 56.287 -0.063 0.000 0.952 647 K CB -0.010 32.380 32.500 -0.183 0.000 0.736 647 K HN 0.160 nan 8.250 nan 0.000 0.453 648 L N 0.968 122.253 121.223 0.103 0.000 2.027 648 L HA -0.177 4.159 4.340 -0.006 0.000 0.206 648 L C 2.600 179.526 176.870 0.093 0.000 1.074 648 L CA 1.325 56.237 54.840 0.120 0.000 0.745 648 L CB -0.552 41.601 42.059 0.156 0.000 0.898 648 L HN 0.332 nan 8.230 nan 0.000 0.433 649 E N 0.685 120.978 120.200 0.155 0.000 2.065 649 E HA -0.314 4.032 4.350 -0.006 0.000 0.201 649 E C 2.268 178.926 176.600 0.097 0.000 1.016 649 E CA 1.858 58.341 56.400 0.138 0.000 0.818 649 E CB -0.117 29.729 29.700 0.244 0.000 0.749 649 E HN 0.268 nan 8.360 nan 0.000 0.453 650 L N 0.779 122.044 121.223 0.069 0.000 1.990 650 L HA -0.213 4.124 4.340 -0.006 0.000 0.213 650 L C 2.509 179.408 176.870 0.047 0.000 1.072 650 L CA 1.699 56.561 54.840 0.036 0.000 0.755 650 L CB -0.660 41.387 42.059 -0.020 0.000 0.889 650 L HN 0.300 nan 8.230 nan 0.000 0.432 651 L N -0.487 120.751 121.223 0.024 0.000 2.056 651 L HA 0.043 4.379 4.340 -0.006 0.000 0.207 651 L C 2.302 179.275 176.870 0.171 0.000 1.078 651 L CA 1.992 56.883 54.840 0.086 0.000 0.749 651 L CB -1.362 40.726 42.059 0.049 0.000 0.901 651 L HN 0.301 nan 8.230 nan 0.000 0.433 652 G N -0.961 107.907 108.800 0.113 0.000 2.459 652 G HA2 -0.349 3.607 3.960 -0.006 0.000 0.217 652 G HA3 -0.349 3.607 3.960 -0.006 0.000 0.217 652 G C 1.418 176.424 174.900 0.177 0.000 1.183 652 G CA 0.824 45.994 45.100 0.117 0.000 0.776 652 G HN 0.464 nan 8.290 nan 0.000 0.552 653 D N 1.125 121.611 120.400 0.144 0.000 2.126 653 D HA -0.162 4.474 4.640 -0.006 0.000 0.190 653 D C 2.787 179.174 176.300 0.144 0.000 1.001 653 D CA 1.638 55.719 54.000 0.136 0.000 0.841 653 D CB -0.436 40.428 40.800 0.106 0.000 0.949 653 D HN 0.243 nan 8.370 nan 0.000 0.446 654 A N -0.033 122.890 122.820 0.172 0.000 1.858 654 A HA -0.172 4.144 4.320 -0.006 0.000 0.216 654 A C 2.326 180.043 177.584 0.221 0.000 1.190 654 A CA 1.516 53.680 52.037 0.211 0.000 0.617 654 A CB -1.269 17.891 19.000 0.267 0.000 0.827 654 A HN 0.394 nan 8.150 nan 0.000 0.443 655 F N 0.208 120.222 119.950 0.107 0.000 2.069 655 F HA -0.182 4.341 4.527 -0.007 0.000 0.298 655 F C 1.916 177.637 175.800 -0.131 0.000 1.113 655 F CA 1.882 59.763 58.000 -0.198 0.000 1.214 655 F CB -0.366 38.489 39.000 -0.240 0.000 0.978 655 F HN 0.209 nan 8.300 nan 0.000 0.474 656 L N 1.264 122.562 121.223 0.125 0.000 2.021 656 L HA -0.272 4.064 4.340 -0.006 0.000 0.215 656 L C 2.476 179.314 176.870 -0.053 0.000 1.074 656 L CA 2.373 57.264 54.840 0.086 0.000 0.760 656 L CB -1.172 41.003 42.059 0.193 0.000 0.889 656 L HN 0.288 nan 8.230 nan 0.000 0.433 657 K N -1.112 119.267 120.400 -0.035 0.000 2.009 657 K HA -0.268 4.048 4.320 -0.006 0.000 0.210 657 K C 2.414 178.935 176.600 -0.131 0.000 1.049 657 K CA 2.057 58.316 56.287 -0.047 0.000 0.929 657 K CB -0.726 31.769 32.500 -0.008 0.000 0.714 657 K HN 0.661 nan 8.250 nan 0.000 0.440 658 C N 0.311 119.470 119.300 -0.236 0.000 2.429 658 C HA -0.057 4.400 4.460 -0.006 0.000 0.277 658 C C 2.960 177.707 174.990 -0.405 0.000 1.262 658 C CA 1.577 60.392 59.018 -0.338 0.000 1.733 658 C CB -0.977 26.506 27.740 -0.428 0.000 2.010 658 C HN 0.664 nan 8.230 nan 0.000 0.483 659 S N 0.046 115.389 115.700 -0.595 0.000 2.343 659 S HA -0.131 4.335 4.470 -0.006 0.000 0.219 659 S C 1.948 176.515 174.600 -0.055 0.000 1.033 659 S CA 1.893 59.829 58.200 -0.440 0.000 1.014 659 S CB -0.628 62.250 63.200 -0.536 0.000 0.915 659 S HN 0.729 nan 8.310 nan 0.000 0.435 660 L N 0.961 122.196 121.223 0.021 0.000 2.089 660 L HA -0.199 4.137 4.340 -0.006 0.000 0.213 660 L C 2.825 179.739 176.870 0.074 0.000 1.079 660 L CA 1.475 56.377 54.840 0.103 0.000 0.758 660 L CB -0.650 41.439 42.059 0.050 0.000 0.891 660 L HN 0.507 nan 8.230 nan 0.000 0.433 661 A N -0.530 122.285 122.820 -0.010 0.000 1.898 661 A HA -0.216 4.100 4.320 -0.006 0.000 0.216 661 A C 2.248 179.848 177.584 0.027 0.000 1.181 661 A CA 1.451 53.485 52.037 -0.006 0.000 0.620 661 A CB -0.655 18.305 19.000 -0.066 0.000 0.819 661 A HN 0.431 nan 8.150 nan 0.000 0.442 662 L N -1.324 119.879 121.223 -0.033 0.000 2.017 662 L HA -0.241 4.095 4.340 -0.006 0.000 0.208 662 L C 2.564 179.455 176.870 0.036 0.000 1.073 662 L CA 2.150 56.987 54.840 -0.005 0.000 0.745 662 L CB -0.464 41.548 42.059 -0.079 0.000 0.894 662 L HN 0.582 nan 8.230 nan 0.000 0.432 663 H N -0.638 118.467 119.070 0.059 0.000 2.319 663 H HA -0.194 4.358 4.556 -0.006 0.000 0.299 663 H C 2.246 177.621 175.328 0.079 0.000 1.092 663 H CA 2.028 58.111 56.048 0.058 0.000 1.302 663 H CB -0.022 29.761 29.762 0.035 0.000 1.373 663 H HN 0.278 nan 8.280 nan 0.000 0.497 664 L N -0.778 120.583 121.223 0.230 0.000 2.141 664 L HA -0.167 4.169 4.340 -0.006 0.000 0.209 664 L C 2.385 179.373 176.870 0.197 0.000 1.094 664 L CA 1.142 56.116 54.840 0.224 0.000 0.763 664 L CB -0.347 41.799 42.059 0.145 0.000 0.908 664 L HN 0.382 nan 8.230 nan 0.000 0.437 665 H N 0.237 119.353 119.070 0.077 0.000 2.387 665 H HA -0.179 4.373 4.556 -0.006 0.000 0.299 665 H C 2.045 177.390 175.328 0.028 0.000 1.099 665 H CA 1.758 57.837 56.048 0.051 0.000 1.315 665 H CB 0.223 30.010 29.762 0.042 0.000 1.380 665 H HN 0.307 nan 8.280 nan 0.000 0.513 666 A N 0.002 122.828 122.820 0.010 0.000 1.911 666 A HA 0.096 4.413 4.320 -0.006 0.000 0.212 666 A C 2.315 179.807 177.584 -0.154 0.000 1.189 666 A CA 0.613 52.599 52.037 -0.084 0.000 0.639 666 A CB -0.423 18.585 19.000 0.014 0.000 0.839 666 A HN 0.429 nan 8.150 nan 0.000 0.449 667 L N -0.410 120.752 121.223 -0.101 0.000 2.456 667 L HA -0.051 4.285 4.340 -0.006 0.000 0.224 667 L C 0.258 176.773 176.870 -0.592 0.000 1.148 667 L CA 0.717 55.389 54.840 -0.280 0.000 0.825 667 L CB -0.276 41.654 42.059 -0.214 0.000 0.937 667 L HN 0.449 nan 8.230 nan 0.000 0.450 668 H N -0.964 118.004 119.070 -0.170 0.000 2.514 668 H HA 0.172 4.724 4.556 -0.007 0.000 0.226 668 H C -1.707 173.474 175.328 -0.246 0.000 1.421 668 H CA -1.135 54.808 56.048 -0.175 0.000 1.394 668 H CB 0.867 30.572 29.762 -0.095 0.000 1.701 668 H HN 0.011 nan 8.280 nan 0.000 0.515 669 P HA -0.128 nan 4.420 nan 0.000 0.222 669 P C 1.503 178.709 177.300 -0.156 0.000 1.147 669 P CA 1.282 64.150 63.100 -0.388 0.000 0.790 669 P CB 0.105 31.291 31.700 -0.856 0.000 0.780 670 T N -3.898 110.607 114.554 -0.082 0.000 3.060 670 T HA 0.166 4.512 4.350 -0.006 0.000 0.249 670 T C 0.833 175.552 174.700 0.032 0.000 1.079 670 T CA -0.165 61.945 62.100 0.016 0.000 1.013 670 T CB -0.558 68.334 68.868 0.039 0.000 0.975 670 T HN -0.069 nan 8.240 nan 0.000 0.518 671 L N 3.075 124.313 121.223 0.024 0.000 2.395 671 L HA 0.438 4.774 4.340 -0.006 0.000 0.269 671 L C 1.290 178.181 176.870 0.036 0.000 1.133 671 L CA -0.802 54.051 54.840 0.021 0.000 0.812 671 L CB 1.200 43.252 42.059 -0.012 0.000 1.125 671 L HN 0.333 nan 8.230 nan 0.000 0.452 672 T N -2.491 112.085 114.554 0.037 0.000 2.920 672 T HA 0.137 4.483 4.350 -0.006 0.000 0.292 672 T C 0.976 175.704 174.700 0.046 0.000 1.093 672 T CA -0.499 61.634 62.100 0.055 0.000 0.944 672 T CB 0.913 69.816 68.868 0.059 0.000 1.605 672 T HN 0.682 nan 8.240 nan 0.000 0.590 673 E N 0.358 120.590 120.200 0.054 0.000 2.065 673 E HA -0.176 4.170 4.350 -0.006 0.000 0.201 673 E C 2.145 178.761 176.600 0.026 0.000 1.016 673 E CA 1.804 58.231 56.400 0.045 0.000 0.818 673 E CB -1.054 28.679 29.700 0.055 0.000 0.749 673 E HN 0.787 nan 8.360 nan 0.000 0.453 674 G N 0.530 109.343 108.800 0.021 0.000 2.511 674 G HA2 -0.284 3.672 3.960 -0.006 0.000 0.216 674 G HA3 -0.284 3.672 3.960 -0.006 0.000 0.216 674 G C 1.671 176.567 174.900 -0.007 0.000 1.218 674 G CA 1.395 46.501 45.100 0.009 0.000 0.788 674 G HN 0.452 nan 8.290 nan 0.000 0.560 675 A N 0.398 123.208 122.820 -0.017 0.000 1.908 675 A HA 0.050 4.366 4.320 -0.006 0.000 0.218 675 A C 2.475 180.020 177.584 -0.064 0.000 1.181 675 A CA 1.472 53.480 52.037 -0.048 0.000 0.627 675 A CB -0.471 18.491 19.000 -0.063 0.000 0.818 675 A HN 0.364 nan 8.150 nan 0.000 0.445 676 L N -0.899 120.299 121.223 -0.042 0.000 2.201 676 L HA -0.138 4.198 4.340 -0.006 0.000 0.212 676 L C 2.677 179.536 176.870 -0.018 0.000 1.105 676 L CA 1.560 56.381 54.840 -0.031 0.000 0.775 676 L CB -0.657 41.412 42.059 0.017 0.000 0.913 676 L HN 0.368 nan 8.230 nan 0.000 0.440 677 T N -1.050 113.497 114.554 -0.011 0.000 2.770 677 T HA -0.113 4.233 4.350 -0.006 0.000 0.258 677 T C 2.022 176.713 174.700 -0.014 0.000 1.039 677 T CA 0.838 62.934 62.100 -0.006 0.000 1.143 677 T CB -0.065 68.804 68.868 0.002 0.000 0.866 677 T HN 0.158 nan 8.240 nan 0.000 0.428 678 R N 0.402 120.890 120.500 -0.020 0.000 2.159 678 R HA 0.037 4.373 4.340 -0.006 0.000 0.237 678 R C 2.391 178.670 176.300 -0.035 0.000 1.131 678 R CA 1.253 57.339 56.100 -0.024 0.000 0.982 678 R CB -0.268 30.016 30.300 -0.026 0.000 0.868 678 R HN 0.418 nan 8.270 nan 0.000 0.453 679 M N -0.554 119.017 119.600 -0.048 0.000 2.073 679 M HA -0.133 4.343 4.480 -0.006 0.000 0.259 679 M C 2.381 178.661 176.300 -0.035 0.000 1.079 679 M CA 1.696 56.961 55.300 -0.059 0.000 1.131 679 M CB -0.261 32.278 32.600 -0.102 0.000 1.316 679 M HN 0.070 nan 8.290 nan 0.000 0.415 680 R N 0.492 120.979 120.500 -0.021 0.000 2.152 680 R HA -0.159 4.177 4.340 -0.006 0.000 0.232 680 R C 1.659 177.955 176.300 -0.006 0.000 1.117 680 R CA 1.531 57.627 56.100 -0.006 0.000 0.981 680 R CB -0.454 29.849 30.300 0.004 0.000 0.870 680 R HN 0.494 nan 8.270 nan 0.000 0.451 681 Q N 0.779 120.574 119.800 -0.009 0.000 2.297 681 Q HA -0.072 4.264 4.340 -0.006 0.000 0.204 681 Q C 2.026 178.018 176.000 -0.013 0.000 0.962 681 Q CA 1.608 57.407 55.803 -0.007 0.000 0.879 681 Q CB 0.249 28.984 28.738 -0.006 0.000 0.947 681 Q HN 0.610 nan 8.270 nan 0.000 0.462 682 S N -0.663 115.025 115.700 -0.021 0.000 2.470 682 S HA 0.092 4.558 4.470 -0.006 0.000 0.225 682 S C 1.589 176.168 174.600 -0.035 0.000 1.006 682 S CA 0.487 58.670 58.200 -0.028 0.000 0.934 682 S CB 0.326 63.506 63.200 -0.033 0.000 0.778 682 S HN 0.262 nan 8.310 nan 0.000 0.517 683 A N 0.141 122.941 122.820 -0.032 0.000 2.500 683 A HA 0.471 4.787 4.320 -0.006 0.000 0.267 683 A C 1.365 178.929 177.584 -0.033 0.000 1.290 683 A CA -0.277 51.734 52.037 -0.043 0.000 0.928 683 A CB -0.025 18.950 19.000 -0.042 0.000 1.066 683 A HN 0.488 nan 8.150 nan 0.000 0.516 684 E N 0.147 120.338 120.200 -0.016 0.000 2.539 684 E HA 0.039 4.385 4.350 -0.006 0.000 0.215 684 E C -0.005 176.598 176.600 0.005 0.000 0.965 684 E CA 0.248 56.652 56.400 0.008 0.000 1.019 684 E CB 0.574 30.287 29.700 0.021 0.000 1.059 684 E HN 0.623 nan 8.360 nan 0.000 0.496 685 T N -0.608 113.937 114.554 -0.015 0.000 2.919 685 T HA 0.063 4.409 4.350 -0.006 0.000 0.302 685 T C 1.001 175.692 174.700 -0.016 0.000 1.031 685 T CA -0.527 61.566 62.100 -0.010 0.000 1.127 685 T CB 1.427 70.285 68.868 -0.018 0.000 0.952 685 T HN -0.065 nan 8.240 nan 0.000 0.540 686 N N 1.837 120.539 118.700 0.003 0.000 2.132 686 N HA -0.236 4.500 4.740 -0.006 0.000 0.191 686 N C 1.900 177.405 175.510 -0.008 0.000 1.015 686 N CA 2.009 55.065 53.050 0.010 0.000 0.864 686 N CB -0.349 38.153 38.487 0.025 0.000 1.006 686 N HN 0.828 nan 8.380 nan 0.000 0.430 687 S N -0.265 115.424 115.700 -0.018 0.000 2.368 687 S HA -0.055 4.411 4.470 -0.006 0.000 0.224 687 S C 2.313 176.868 174.600 -0.074 0.000 1.029 687 S CA 1.232 59.413 58.200 -0.032 0.000 0.988 687 S CB -0.744 62.439 63.200 -0.028 0.000 0.838 687 S HN 0.095 nan 8.310 nan 0.000 0.462 688 V N 2.599 122.460 119.914 -0.089 0.000 2.261 688 V HA -0.106 4.010 4.120 -0.006 0.000 0.246 688 V C 2.587 178.546 176.094 -0.225 0.000 1.047 688 V CA 1.872 64.090 62.300 -0.136 0.000 1.015 688 V CB -0.910 30.843 31.823 -0.118 0.000 0.642 688 V HN 0.468 nan 8.190 nan 0.000 0.446 689 L N 0.407 121.489 121.223 -0.235 0.000 2.191 689 L HA -0.083 4.253 4.340 -0.006 0.000 0.212 689 L C 2.612 179.286 176.870 -0.326 0.000 1.103 689 L CA 1.475 56.062 54.840 -0.422 0.000 0.769 689 L CB -1.211 40.723 42.059 -0.209 0.000 0.908 689 L HN 0.485 nan 8.230 nan 0.000 0.438 690 G N 0.190 108.908 108.800 -0.135 0.000 2.446 690 G HA2 -0.250 3.706 3.960 -0.006 0.000 0.217 690 G HA3 -0.250 3.706 3.960 -0.006 0.000 0.217 690 G C 1.759 176.563 174.900 -0.159 0.000 1.168 690 G CA 0.566 45.639 45.100 -0.045 0.000 0.771 690 G HN 0.292 nan 8.290 nan 0.000 0.551 691 R N -0.158 120.219 120.500 -0.204 0.000 2.073 691 R HA 0.075 4.411 4.340 -0.006 0.000 0.234 691 R C 2.659 178.799 176.300 -0.267 0.000 1.134 691 R CA 0.982 56.947 56.100 -0.224 0.000 0.952 691 R CB -0.540 29.647 30.300 -0.188 0.000 0.850 691 R HN 0.314 nan 8.270 nan 0.000 0.433 692 L N 0.125 121.130 121.223 -0.362 0.000 2.081 692 L HA -0.232 4.105 4.340 -0.006 0.000 0.212 692 L C 2.252 178.874 176.870 -0.413 0.000 1.080 692 L CA 1.468 56.040 54.840 -0.446 0.000 0.754 692 L CB -0.796 40.781 42.059 -0.803 0.000 0.893 692 L HN 0.292 nan 8.230 nan 0.000 0.433 693 T N -0.577 113.844 114.554 -0.221 0.000 2.788 693 T HA -0.182 4.165 4.350 -0.006 0.000 0.268 693 T C 1.763 176.402 174.700 -0.102 0.000 1.044 693 T CA 1.241 63.322 62.100 -0.031 0.000 1.139 693 T CB -0.099 68.895 68.868 0.210 0.000 0.867 693 T HN 0.325 nan 8.240 nan 0.000 0.454 694 K N 0.549 120.844 120.400 -0.174 0.000 2.486 694 K HA 0.133 4.449 4.320 -0.006 0.000 0.194 694 K C 2.175 178.702 176.600 -0.122 0.000 1.033 694 K CA 0.350 56.545 56.287 -0.154 0.000 1.004 694 K CB 0.080 32.432 32.500 -0.248 0.000 0.798 694 K HN 0.176 nan 8.250 nan 0.000 0.495 695 R N -0.017 120.361 120.500 -0.204 0.000 2.297 695 R HA 0.081 4.417 4.340 -0.006 0.000 0.197 695 R C -0.141 176.127 176.300 -0.053 0.000 0.943 695 R CA 0.013 56.024 56.100 -0.149 0.000 1.038 695 R CB 0.163 30.356 30.300 -0.178 0.000 0.957 695 R HN -0.007 nan 8.270 nan 0.000 0.484 696 F N 2.221 122.204 119.950 0.055 0.000 2.450 696 F HA 0.168 4.691 4.527 -0.007 0.000 0.339 696 F C -1.448 174.373 175.800 0.036 0.000 1.146 696 F CA -3.283 54.751 58.000 0.056 0.000 1.267 696 F CB -0.296 38.740 39.000 0.061 0.000 1.178 696 F HN -0.144 nan 8.300 nan 0.000 0.585 697 P HA -0.075 nan 4.420 nan 0.000 0.263 697 P C 0.452 177.822 177.300 0.116 0.000 1.168 697 P CA 0.315 63.493 63.100 0.130 0.000 0.759 697 P CB 0.227 31.982 31.700 0.092 0.000 0.782 698 S N 0.891 116.639 115.700 0.080 0.000 2.626 698 S HA -0.088 4.378 4.470 -0.006 0.000 0.245 698 S C 1.402 176.046 174.600 0.074 0.000 0.973 698 S CA 0.584 58.826 58.200 0.070 0.000 0.959 698 S CB -1.174 62.053 63.200 0.045 0.000 0.762 698 S HN 0.274 nan 8.310 nan 0.000 0.539 699 V N 0.663 120.621 119.914 0.073 0.000 2.453 699 V HA -0.100 4.016 4.120 -0.006 0.000 0.247 699 V C 2.495 178.634 176.094 0.075 0.000 1.048 699 V CA 1.325 63.662 62.300 0.061 0.000 1.049 699 V CB -0.884 30.964 31.823 0.040 0.000 0.672 699 V HN 0.520 nan 8.190 nan 0.000 0.457 700 V N 0.223 120.197 119.914 0.100 0.000 2.283 700 V HA -0.184 3.932 4.120 -0.006 0.000 0.243 700 V C 2.578 178.767 176.094 0.160 0.000 1.039 700 V CA 2.185 64.560 62.300 0.125 0.000 1.016 700 V CB -0.768 31.168 31.823 0.189 0.000 0.650 700 V HN 0.558 nan 8.190 nan 0.000 0.449 701 S N -0.358 115.444 115.700 0.169 0.000 2.383 701 S HA -0.247 4.219 4.470 -0.006 0.000 0.229 701 S C 1.886 176.591 174.600 0.174 0.000 1.030 701 S CA 1.628 59.946 58.200 0.197 0.000 1.002 701 S CB -0.328 62.936 63.200 0.106 0.000 0.829 701 S HN 0.666 nan 8.310 nan 0.000 0.467 702 E N 0.582 120.855 120.200 0.120 0.000 2.038 702 E HA -0.134 4.212 4.350 -0.006 0.000 0.195 702 E C 2.134 178.795 176.600 0.101 0.000 1.000 702 E CA 1.381 57.840 56.400 0.098 0.000 0.803 702 E CB -0.268 29.476 29.700 0.073 0.000 0.750 702 E HN 0.269 nan 8.360 nan 0.000 0.448 703 V N 1.281 121.254 119.914 0.099 0.000 2.407 703 V HA -0.255 3.861 4.120 -0.006 0.000 0.248 703 V C 2.198 178.362 176.094 0.116 0.000 1.055 703 V CA 1.493 63.848 62.300 0.091 0.000 1.049 703 V CB -0.360 31.511 31.823 0.079 0.000 0.662 703 V HN 0.256 nan 8.190 nan 0.000 0.455 704 I N -0.326 120.329 120.570 0.142 0.000 2.252 704 I HA -0.218 3.948 4.170 -0.006 0.000 0.245 704 I C 2.121 178.334 176.117 0.160 0.000 1.102 704 I CA 1.696 63.089 61.300 0.153 0.000 1.385 704 I CB -0.265 37.786 38.000 0.086 0.000 1.064 704 I HN 0.231 nan 8.210 nan 0.000 0.414 705 I N 0.117 120.771 120.570 0.140 0.000 2.546 705 I HA -0.193 3.973 4.170 -0.006 0.000 0.255 705 I C 2.419 178.596 176.117 0.099 0.000 1.163 705 I CA 0.880 62.254 61.300 0.123 0.000 1.457 705 I CB -0.299 37.775 38.000 0.124 0.000 1.092 705 I HN 0.167 nan 8.210 nan 0.000 0.434 706 E N 1.152 121.404 120.200 0.087 0.000 2.107 706 E HA -0.114 4.232 4.350 -0.006 0.000 0.191 706 E C 2.197 178.814 176.600 0.028 0.000 0.982 706 E CA 1.288 57.720 56.400 0.055 0.000 0.809 706 E CB 0.032 29.762 29.700 0.050 0.000 0.756 706 E HN 0.264 nan 8.360 nan 0.000 0.459 707 S N -0.612 115.109 115.700 0.036 0.000 2.414 707 S HA 0.015 4.481 4.470 -0.006 0.000 0.227 707 S C 0.099 174.541 174.600 -0.263 0.000 1.022 707 S CA 0.335 58.482 58.200 -0.088 0.000 0.958 707 S CB -0.145 63.024 63.200 -0.051 0.000 0.797 707 S HN 0.341 nan 8.310 nan 0.000 0.493 708 H N 1.661 120.716 119.070 -0.026 0.000 2.792 708 H HA 0.296 4.849 4.556 -0.007 0.000 0.298 708 H C -2.890 172.429 175.328 -0.015 0.000 1.042 708 H CA -2.053 53.974 56.048 -0.035 0.000 1.300 708 H CB 0.951 30.675 29.762 -0.063 0.000 1.431 708 H HN 0.214 nan 8.280 nan 0.000 0.496 709 P HA 0.023 nan 4.420 nan 0.000 0.275 709 P C -0.086 177.250 177.300 0.059 0.000 1.227 709 P CA -0.330 62.801 63.100 0.052 0.000 0.781 709 P CB 1.188 32.904 31.700 0.028 0.000 0.906 710 K N 0.751 121.183 120.400 0.054 0.000 3.278 710 K HA -0.191 4.125 4.320 -0.006 0.000 0.270 710 K C 0.399 177.029 176.600 0.050 0.000 0.955 710 K CA 0.505 56.822 56.287 0.049 0.000 0.723 710 K CB -1.733 30.790 32.500 0.039 0.000 1.382 710 K HN 0.526 nan 8.250 nan 0.000 0.461 711 I N -2.729 117.874 120.570 0.055 0.000 2.648 711 I HA 0.329 4.495 4.170 -0.006 0.000 0.304 711 I C 0.077 176.235 176.117 0.068 0.000 1.009 711 I CA -0.595 60.727 61.300 0.037 0.000 1.114 711 I CB 1.540 39.526 38.000 -0.023 0.000 1.293 711 I HN 0.010 nan 8.210 nan 0.000 0.449 712 Q N 3.826 123.673 119.800 0.077 0.000 2.248 712 Q HA 0.405 4.741 4.340 -0.006 0.000 0.263 712 Q C -1.935 174.186 176.000 0.201 0.000 1.007 712 Q CA -1.695 54.174 55.803 0.110 0.000 0.877 712 Q CB 1.556 30.335 28.738 0.068 0.000 1.315 712 Q HN 0.456 nan 8.270 nan 0.000 0.454 713 P HA -0.227 nan 4.420 nan 0.000 0.218 713 P C 0.351 177.729 177.300 0.129 0.000 1.150 713 P CA 1.583 64.748 63.100 0.109 0.000 0.841 713 P CB 0.102 31.799 31.700 -0.004 0.000 0.784 714 D N -1.721 118.743 120.400 0.108 0.000 2.434 714 D HA 0.047 4.683 4.640 -0.006 0.000 0.232 714 D C 0.213 176.576 176.300 0.105 0.000 1.166 714 D CA -0.112 53.939 54.000 0.085 0.000 0.830 714 D CB -0.386 40.437 40.800 0.038 0.000 0.960 714 D HN -0.029 nan 8.370 nan 0.000 0.497 715 S N 0.158 115.954 115.700 0.160 0.000 2.614 715 S HA 0.107 4.573 4.470 -0.006 0.000 0.265 715 S C 1.331 175.958 174.600 0.045 0.000 1.303 715 S CA -0.556 57.677 58.200 0.055 0.000 1.000 715 S CB 1.087 64.250 63.200 -0.061 0.000 0.935 715 S HN 0.170 nan 8.310 nan 0.000 0.551 716 K N 1.714 122.109 120.400 -0.008 0.000 2.217 716 K HA 0.002 4.318 4.320 -0.006 0.000 0.202 716 K C 1.764 178.342 176.600 -0.036 0.000 1.051 716 K CA 0.787 57.076 56.287 0.004 0.000 0.952 716 K CB -0.332 32.177 32.500 0.015 0.000 0.736 716 K HN 0.389 nan 8.250 nan 0.000 0.453 717 V N 1.143 120.961 119.914 -0.161 0.000 2.626 717 V HA -0.224 3.892 4.120 -0.006 0.000 0.252 717 V C 1.717 177.631 176.094 -0.300 0.000 1.067 717 V CA 1.516 63.645 62.300 -0.285 0.000 1.081 717 V CB -0.746 30.744 31.823 -0.555 0.000 0.686 717 V HN 0.194 nan 8.190 nan 0.000 0.468 718 Y N 1.250 121.496 120.300 -0.089 0.000 2.153 718 Y HA 0.028 4.574 4.550 -0.007 0.000 0.289 718 Y C 2.603 178.492 175.900 -0.019 0.000 1.127 718 Y CA 1.261 59.329 58.100 -0.053 0.000 1.131 718 Y CB -1.308 37.127 38.460 -0.043 0.000 0.995 718 Y HN 0.237 nan 8.280 nan 0.000 0.505 719 G N -0.214 108.670 108.800 0.140 0.000 2.440 719 G HA2 -0.251 3.705 3.960 -0.006 0.000 0.218 719 G HA3 -0.251 3.705 3.960 -0.006 0.000 0.218 719 G C 1.248 176.210 174.900 0.102 0.000 1.154 719 G CA 1.437 46.593 45.100 0.094 0.000 0.767 719 G HN 0.278 nan 8.290 nan 0.000 0.552 720 D N 0.288 120.698 120.400 0.015 0.000 2.117 720 D HA -0.088 4.548 4.640 -0.006 0.000 0.198 720 D C 2.995 179.171 176.300 -0.207 0.000 0.982 720 D CA 1.756 55.727 54.000 -0.048 0.000 0.828 720 D CB -0.616 40.167 40.800 -0.029 0.000 0.967 720 D HN 0.458 nan 8.370 nan 0.000 0.464 721 T N -1.604 112.766 114.554 -0.307 0.000 2.962 721 T HA -0.136 4.210 4.350 -0.006 0.000 0.270 721 T C 1.942 176.610 174.700 -0.054 0.000 1.088 721 T CA 0.347 62.249 62.100 -0.329 0.000 1.127 721 T CB -0.599 68.113 68.868 -0.260 0.000 0.883 721 T HN 0.063 nan 8.240 nan 0.000 0.493 722 F N 2.426 122.352 119.950 -0.040 0.000 2.075 722 F HA 0.023 4.546 4.527 -0.006 0.000 0.297 722 F C 2.344 178.164 175.800 0.033 0.000 1.113 722 F CA 1.565 59.591 58.000 0.044 0.000 1.218 722 F CB -0.242 38.791 39.000 0.054 0.000 0.984 722 F HN 0.162 nan 8.300 nan 0.000 0.472 723 E N 0.281 120.586 120.200 0.175 0.000 2.085 723 E HA -0.251 4.095 4.350 -0.006 0.000 0.194 723 E C 2.336 178.914 176.600 -0.036 0.000 0.994 723 E CA 1.148 57.600 56.400 0.088 0.000 0.801 723 E CB -0.486 29.290 29.700 0.126 0.000 0.743 723 E HN 0.517 nan 8.360 nan 0.000 0.453 724 A N 1.134 123.907 122.820 -0.078 0.000 1.902 724 A HA -0.179 4.138 4.320 -0.006 0.000 0.217 724 A C 2.203 179.706 177.584 -0.136 0.000 1.181 724 A CA 1.149 53.137 52.037 -0.081 0.000 0.623 724 A CB -0.576 18.332 19.000 -0.153 0.000 0.818 724 A HN 0.144 nan 8.150 nan 0.000 0.443 725 I N -0.885 119.556 120.570 -0.215 0.000 2.226 725 I HA -0.236 3.930 4.170 -0.006 0.000 0.245 725 I C 2.403 178.266 176.117 -0.424 0.000 1.100 725 I CA 1.147 62.258 61.300 -0.315 0.000 1.374 725 I CB -0.223 37.577 38.000 -0.334 0.000 1.057 725 I HN 0.386 nan 8.210 nan 0.000 0.413 726 L N 1.078 122.034 121.223 -0.446 0.000 2.042 726 L HA -0.206 4.131 4.340 -0.006 0.000 0.210 726 L C 2.549 179.224 176.870 -0.325 0.000 1.076 726 L CA 2.188 56.784 54.840 -0.406 0.000 0.749 726 L CB -0.847 41.095 42.059 -0.196 0.000 0.893 726 L HN 0.217 nan 8.230 nan 0.000 0.432 727 A N -0.528 122.170 122.820 -0.203 0.000 1.883 727 A HA -0.155 4.161 4.320 -0.006 0.000 0.217 727 A C 2.481 179.955 177.584 -0.183 0.000 1.186 727 A CA 2.073 54.021 52.037 -0.148 0.000 0.624 727 A CB -1.281 17.707 19.000 -0.021 0.000 0.822 727 A HN 0.582 nan 8.150 nan 0.000 0.444 728 A N -0.065 122.634 122.820 -0.200 0.000 1.908 728 A HA -0.151 4.165 4.320 -0.006 0.000 0.218 728 A C 2.123 179.520 177.584 -0.311 0.000 1.181 728 A CA 1.700 53.594 52.037 -0.239 0.000 0.627 728 A CB -0.696 18.160 19.000 -0.240 0.000 0.818 728 A HN 0.527 nan 8.150 nan 0.000 0.445 729 I N -0.780 119.567 120.570 -0.372 0.000 2.226 729 I HA -0.240 3.926 4.170 -0.006 0.000 0.245 729 I C 2.452 178.367 176.117 -0.336 0.000 1.100 729 I CA 1.377 62.446 61.300 -0.384 0.000 1.374 729 I CB -0.314 37.380 38.000 -0.510 0.000 1.057 729 I HN 0.474 nan 8.210 nan 0.000 0.413 730 L N 0.744 121.734 121.223 -0.389 0.000 2.005 730 L HA -0.161 4.175 4.340 -0.006 0.000 0.207 730 L C 2.268 179.042 176.870 -0.160 0.000 1.072 730 L CA 1.862 56.451 54.840 -0.418 0.000 0.744 730 L CB -0.535 41.115 42.059 -0.682 0.000 0.895 730 L HN 0.104 nan 8.230 nan 0.000 0.433 731 L N -0.473 120.706 121.223 -0.074 0.000 2.131 731 L HA -0.126 4.211 4.340 -0.006 0.000 0.210 731 L C 2.469 179.424 176.870 0.141 0.000 1.092 731 L CA 1.170 56.085 54.840 0.125 0.000 0.759 731 L CB -0.608 41.512 42.059 0.102 0.000 0.903 731 L HN 0.461 nan 8.230 nan 0.000 0.435 732 A N -2.372 120.378 122.820 -0.117 0.000 2.063 732 A HA -0.021 4.295 4.320 -0.006 0.000 0.211 732 A C 1.916 179.490 177.584 -0.017 0.000 1.177 732 A CA 0.613 52.573 52.037 -0.128 0.000 0.759 732 A CB -0.249 18.414 19.000 -0.562 0.000 0.857 732 A HN 0.499 nan 8.150 nan 0.000 0.468 733 C N -1.470 117.721 119.300 -0.181 0.000 3.392 733 C HA 0.581 5.037 4.460 -0.006 0.000 0.301 733 C C 1.278 175.995 174.990 -0.453 0.000 1.354 733 C CA -0.129 58.688 59.018 -0.335 0.000 1.732 733 C CB -0.635 26.974 27.740 -0.219 0.000 2.269 733 C HN 1.104 nan 8.230 nan 0.000 0.673 734 G N 1.182 109.839 108.800 -0.238 0.000 2.592 734 G HA2 -0.111 3.845 3.960 -0.006 0.000 0.684 734 G HA3 -0.111 3.845 3.960 -0.006 0.000 0.684 734 G C 0.027 174.876 174.900 -0.085 0.000 1.291 734 G CA -0.033 45.029 45.100 -0.064 0.000 0.891 734 G HN 0.300 nan 8.290 nan 0.000 0.544 735 E N 0.276 120.485 120.200 0.014 0.000 2.028 735 E HA -0.090 4.256 4.350 -0.006 0.000 0.191 735 E C 2.398 179.042 176.600 0.074 0.000 0.988 735 E CA 1.614 58.017 56.400 0.005 0.000 0.799 735 E CB -0.112 29.662 29.700 0.123 0.000 0.755 735 E HN 0.786 nan 8.360 nan 0.000 0.447 736 E N 1.361 121.610 120.200 0.082 0.000 2.110 736 E HA -0.196 4.150 4.350 -0.006 0.000 0.193 736 E C 2.069 178.726 176.600 0.096 0.000 0.988 736 E CA 1.228 57.687 56.400 0.098 0.000 0.804 736 E CB -0.216 29.533 29.700 0.081 0.000 0.745 736 E HN 0.185 nan 8.360 nan 0.000 0.458 737 A N 1.552 124.394 122.820 0.036 0.000 1.902 737 A HA 0.020 4.336 4.320 -0.006 0.000 0.217 737 A C 2.512 180.135 177.584 0.065 0.000 1.181 737 A CA 1.811 53.867 52.037 0.031 0.000 0.623 737 A CB -0.817 18.154 19.000 -0.049 0.000 0.818 737 A HN 0.451 nan 8.150 nan 0.000 0.443 738 A N -0.538 122.268 122.820 -0.024 0.000 1.898 738 A HA 0.186 4.502 4.320 -0.006 0.000 0.216 738 A C 2.389 180.150 177.584 0.296 0.000 1.181 738 A CA 1.743 53.749 52.037 -0.052 0.000 0.620 738 A CB -1.305 17.341 19.000 -0.590 0.000 0.819 738 A HN 0.703 nan 8.150 nan 0.000 0.442 739 G N -0.404 108.630 108.800 0.391 0.000 2.422 739 G HA2 0.010 3.966 3.960 -0.006 0.000 0.218 739 G HA3 0.010 3.966 3.960 -0.006 0.000 0.218 739 G C 1.711 176.853 174.900 0.405 0.000 1.146 739 G CA 1.416 46.798 45.100 0.470 0.000 0.769 739 G HN 0.751 nan 8.290 nan 0.000 0.547 740 A N 0.560 123.552 122.820 0.286 0.000 1.877 740 A HA 0.034 4.350 4.320 -0.006 0.000 0.216 740 A C 2.172 179.892 177.584 0.226 0.000 1.186 740 A CA 1.587 53.755 52.037 0.217 0.000 0.620 740 A CB -0.651 18.452 19.000 0.171 0.000 0.822 740 A HN 0.385 nan 8.150 nan 0.000 0.443 741 F N 0.675 120.719 119.950 0.156 0.000 2.120 741 F HA -0.191 4.332 4.527 -0.007 0.000 0.300 741 F C 2.264 178.228 175.800 0.272 0.000 1.095 741 F CA 1.971 60.105 58.000 0.224 0.000 1.249 741 F CB -0.242 38.828 39.000 0.115 0.000 0.995 741 F HN 0.037 nan 8.300 nan 0.000 0.480 742 V N 1.827 121.933 119.914 0.321 0.000 2.295 742 V HA -0.317 3.800 4.120 -0.006 0.000 0.246 742 V C 2.573 178.642 176.094 -0.041 0.000 1.049 742 V CA 2.344 64.768 62.300 0.207 0.000 1.024 742 V CB -0.847 31.165 31.823 0.314 0.000 0.648 742 V HN 0.447 nan 8.190 nan 0.000 0.447 743 R N -0.105 120.296 120.500 -0.165 0.000 2.189 743 R HA -0.088 4.248 4.340 -0.006 0.000 0.218 743 R C 1.807 177.969 176.300 -0.230 0.000 1.074 743 R CA 1.318 57.191 56.100 -0.377 0.000 0.991 743 R CB -0.236 29.763 30.300 -0.500 0.000 0.883 743 R HN 0.402 nan 8.270 nan 0.000 0.457 744 E N 0.276 120.353 120.200 -0.205 0.000 2.140 744 E HA -0.048 4.298 4.350 -0.006 0.000 0.191 744 E C 1.569 177.873 176.600 -0.493 0.000 0.973 744 E CA 0.970 57.164 56.400 -0.344 0.000 0.829 744 E CB 0.080 29.541 29.700 -0.399 0.000 0.781 744 E HN 0.610 nan 8.360 nan 0.000 0.466 745 H N -1.075 117.811 119.070 -0.306 0.000 2.501 745 H HA 0.171 4.723 4.556 -0.007 0.000 0.281 745 H C 2.157 177.361 175.328 -0.206 0.000 0.988 745 H CA 0.519 56.394 56.048 -0.288 0.000 1.232 745 H CB 0.614 30.113 29.762 -0.438 0.000 1.455 745 H HN -0.074 nan 8.280 nan 0.000 0.501 746 V N 1.578 121.483 119.914 -0.016 0.000 2.426 746 V HA -0.115 4.001 4.120 -0.006 0.000 0.242 746 V C 2.619 178.674 176.094 -0.065 0.000 1.036 746 V CA 0.794 63.077 62.300 -0.028 0.000 1.044 746 V CB -0.326 31.552 31.823 0.092 0.000 0.688 746 V HN 0.177 nan 8.190 nan 0.000 0.462 747 L N 0.537 121.707 121.223 -0.089 0.000 2.046 747 L HA -0.097 4.239 4.340 -0.006 0.000 0.208 747 L C -0.144 176.675 176.870 -0.086 0.000 1.077 747 L CA 1.879 56.659 54.840 -0.100 0.000 0.747 747 L CB -1.158 40.791 42.059 -0.183 0.000 0.896 747 L HN 0.337 nan 8.230 nan 0.000 0.432 748 P HA -0.186 nan 4.420 nan 0.000 0.221 748 P C 1.066 178.321 177.300 -0.075 0.000 1.145 748 P CA 1.045 64.093 63.100 -0.088 0.000 0.795 748 P CB -0.035 31.600 31.700 -0.108 0.000 0.775 749 Q N -0.829 118.922 119.800 -0.083 0.000 2.436 749 Q HA 0.018 4.354 4.340 -0.006 0.000 0.209 749 Q C 0.788 176.751 176.000 -0.061 0.000 0.965 749 Q CA 0.233 55.988 55.803 -0.080 0.000 0.910 749 Q CB -0.744 27.932 28.738 -0.104 0.000 0.980 749 Q HN 0.195 nan 8.270 nan 0.000 0.491 750 V N 1.603 121.488 119.914 -0.049 0.000 2.540 750 V HA 0.007 4.123 4.120 -0.006 0.000 0.297 750 V C -0.142 175.931 176.094 -0.036 0.000 1.024 750 V CA -0.024 62.254 62.300 -0.037 0.000 1.105 750 V CB 1.037 32.846 31.823 -0.022 0.000 0.938 750 V HN 0.026 nan 8.190 nan 0.000 0.482 751 V N 9.086 128.976 119.914 -0.040 0.000 2.368 751 V HA 0.682 4.798 4.120 -0.006 0.000 0.266 751 V C 0.824 176.893 176.094 -0.043 0.000 1.045 751 V CA -0.124 62.154 62.300 -0.038 0.000 0.899 751 V CB 0.744 32.545 31.823 -0.036 0.000 1.006 751 V HN 1.282 nan 8.190 nan 0.000 0.470 752 A N 4.692 127.490 122.820 -0.037 0.000 2.507 752 A HA 0.114 4.430 4.320 -0.006 0.000 0.235 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