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 1ms3_1_A DATA FIRST_RESID 1 DATA SEQUENCE LAPGSSRVEL FKRQSSKVPF EKDGKVTERV VHSFRLPALV NVDGVMVAIA DATA SEQUENCE DARYETSFDN SLIDTVAKYS VDDGETWETQ IAIKNSRASS VSRVVDPTVI DATA SEQUENCE VKGNKLYVLV GSYNSSRSYW TSHGDARDWD ILLAVGEVTK STAGGKITAS DATA SEQUENCE IKWGSPVSLK EFFPAEMEGM HTNQFLGGAG VAIVASNGNL VYPVQVTNKK DATA SEQUENCE KQVFSKIFYS EDEGKTWKFG KGRSAFGCSE PVALEWEGKL IINTRVDYRR DATA SEQUENCE RLVYESSDMG NTWLEAVGTL SRVWGPSPKS NQPGSQSSFT AVTIEGMRVM DATA SEQUENCE LFTHPLNFKG RWLRDRLNLW LTDNQRIYNV GQVSIGDENS AYSSVLYKDD DATA SEQUENCE KLYCLHEINS NEVYSLVFAR LVGELRIIKS VLQSWKNWDS HLSSIcTPAX DATA SEQUENCE XXXXXXXXGc GPAVTTVGLV GFLSHSATKT EWEDAYRCVN ASTANAERVP DATA SEQUENCE NGLKFAGVGG GALWPVSQQG QNQRYHFANH AFTLVASVTI HEVPKGASPL DATA SEQUENCE LGASLDSSGG KKLLGLSYDK RHQWQPIYGS TPVTPTGSWE MGKRYHVVLT DATA SEQUENCE MANKIGSVYI DGEPLEGSGQ TVVPDERTPD ISHFYVGGYK RSGMPTDSRV DATA SEQUENCE TVNNVLLYNR QLNAEEIRTL FLSQDLIGTE AH 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.864 176.870 -0.010 0.000 1.165 1 L CA 0.000 54.836 54.840 -0.006 0.000 0.813 1 L CB 0.000 42.069 42.059 0.016 0.000 0.961 2 A N 5.225 128.036 122.820 -0.015 0.000 2.406 2 A HA 0.686 5.000 4.320 -0.009 0.000 0.243 2 A C -2.379 175.202 177.584 -0.006 0.000 1.082 2 A CA -0.816 51.214 52.037 -0.011 0.000 0.786 2 A CB -0.598 18.395 19.000 -0.013 0.000 1.029 2 A HN 0.572 nan 8.150 nan 0.000 0.495 3 P HA 0.282 nan 4.420 nan 0.000 0.265 3 P C 1.018 178.316 177.300 -0.002 0.000 1.193 3 P CA 1.784 64.884 63.100 0.000 0.000 0.765 3 P CB 0.690 32.391 31.700 0.003 0.000 0.823 4 G N 1.527 110.327 108.800 -0.000 0.000 2.258 4 G HA2 -0.224 3.731 3.960 -0.009 0.000 0.233 4 G HA3 -0.224 3.731 3.960 -0.009 0.000 0.233 4 G C 0.475 175.371 174.900 -0.005 0.000 1.006 4 G CA 0.013 45.112 45.100 -0.002 0.000 0.620 4 G HN 0.582 nan 8.290 nan 0.000 0.511 5 S N 0.291 115.986 115.700 -0.009 0.000 2.652 5 S HA 0.795 5.259 4.470 -0.009 0.000 0.270 5 S C 0.345 174.945 174.600 -0.001 0.000 1.243 5 S CA 0.485 58.677 58.200 -0.014 0.000 0.999 5 S CB 1.657 64.845 63.200 -0.020 0.000 0.973 5 S HN 1.747 nan 8.310 nan 0.000 0.544 6 S N 0.622 116.322 115.700 0.001 0.000 2.615 6 S HA 0.816 5.280 4.470 -0.009 0.000 0.269 6 S C -1.131 173.481 174.600 0.019 0.000 1.161 6 S CA -1.264 56.947 58.200 0.018 0.000 0.817 6 S CB 1.813 65.033 63.200 0.033 0.000 1.131 6 S HN 0.981 nan 8.310 nan 0.000 0.467 7 R N -0.861 119.660 120.500 0.036 0.000 2.752 7 R HA 0.860 5.194 4.340 -0.009 0.000 0.271 7 R C -1.501 174.842 176.300 0.072 0.000 1.026 7 R CA -0.993 55.133 56.100 0.044 0.000 0.901 7 R CB 1.173 31.479 30.300 0.010 0.000 1.243 7 R HN 1.217 nan 8.270 nan 0.000 0.463 8 V N -2.449 117.529 119.914 0.107 0.000 3.040 8 V HA 0.541 4.656 4.120 -0.009 0.000 0.312 8 V C -0.572 175.545 176.094 0.039 0.000 1.115 8 V CA -1.032 61.316 62.300 0.080 0.000 0.998 8 V CB 1.920 33.811 31.823 0.113 0.000 1.042 8 V HN 0.957 nan 8.190 nan 0.000 0.433 9 E N 1.047 121.246 120.200 -0.003 0.000 1.996 9 E HA 0.288 4.632 4.350 -0.009 0.000 0.280 9 E C 0.229 176.775 176.600 -0.090 0.000 1.092 9 E CA -0.441 55.939 56.400 -0.034 0.000 0.862 9 E CB 1.353 31.037 29.700 -0.027 0.000 1.066 9 E HN 0.754 nan 8.360 nan 0.000 0.396 10 L N 5.562 126.711 121.223 -0.123 0.000 2.145 10 L HA 0.219 4.554 4.340 -0.009 0.000 0.201 10 L C -0.167 176.365 176.870 -0.562 0.000 1.075 10 L CA 1.336 55.961 54.840 -0.358 0.000 0.773 10 L CB 0.252 42.038 42.059 -0.455 0.000 0.936 10 L HN 0.423 nan 8.230 nan 0.000 0.451 11 F N 1.768 121.413 119.950 -0.509 0.000 2.293 11 F HA 0.363 4.885 4.527 -0.009 0.000 0.370 11 F C 0.117 175.631 175.800 -0.476 0.000 1.090 11 F CA -0.760 56.725 58.000 -0.859 0.000 1.133 11 F CB 0.479 38.765 39.000 -1.190 0.000 1.360 11 F HN -0.181 nan 8.300 nan 0.000 0.489 12 K N 4.415 124.728 120.400 -0.144 0.000 2.262 12 K HA 0.297 4.611 4.320 -0.009 0.000 0.282 12 K C 0.137 176.886 176.600 0.248 0.000 1.066 12 K CA -0.813 55.507 56.287 0.054 0.000 0.901 12 K CB 0.951 33.447 32.500 -0.005 0.000 1.089 12 K HN 0.607 nan 8.250 nan 0.000 0.476 13 R N 2.759 123.404 120.500 0.242 0.000 2.638 13 R HA -0.103 4.232 4.340 -0.009 0.000 0.268 13 R C -0.419 175.910 176.300 0.048 0.000 1.006 13 R CA 0.219 56.418 56.100 0.166 0.000 1.088 13 R CB 0.020 30.348 30.300 0.047 0.000 0.950 13 R HN 0.744 nan 8.270 nan 0.000 0.419 14 Q N -0.264 119.529 119.800 -0.012 0.000 2.468 14 Q HA -0.290 4.044 4.340 -0.009 0.000 0.256 14 Q C 0.237 176.249 176.000 0.020 0.000 0.984 14 Q CA 1.317 57.097 55.803 -0.037 0.000 1.110 14 Q CB -1.183 27.494 28.738 -0.102 0.000 1.527 14 Q HN 0.896 nan 8.270 nan 0.000 0.535 15 S N -2.122 113.623 115.700 0.076 0.000 3.916 15 S HA 0.146 4.611 4.470 -0.009 0.000 0.231 15 S C 0.195 174.845 174.600 0.084 0.000 1.161 15 S CA 0.302 58.538 58.200 0.060 0.000 0.938 15 S CB 0.561 63.781 63.200 0.034 0.000 1.170 15 S HN 0.251 nan 8.310 nan 0.000 0.508 16 S N 2.579 118.360 115.700 0.134 0.000 2.549 16 S HA 0.349 4.813 4.470 -0.009 0.000 0.286 16 S C -0.439 174.280 174.600 0.197 0.000 1.314 16 S CA 0.220 58.484 58.200 0.107 0.000 1.062 16 S CB 0.597 63.796 63.200 -0.002 0.000 0.865 16 S HN 0.387 nan 8.310 nan 0.000 0.498 17 K N 1.287 121.758 120.400 0.119 0.000 2.156 17 K HA 0.713 5.028 4.320 -0.009 0.000 0.250 17 K C -0.571 176.123 176.600 0.156 0.000 0.955 17 K CA -0.840 55.533 56.287 0.143 0.000 0.855 17 K CB 1.585 34.141 32.500 0.093 0.000 1.101 17 K HN 0.459 nan 8.250 nan 0.000 0.434 18 V N -1.595 118.444 119.914 0.208 0.000 3.078 18 V HA 0.571 4.686 4.120 -0.009 0.000 0.311 18 V C -2.799 173.437 176.094 0.237 0.000 1.138 18 V CA -2.804 59.625 62.300 0.215 0.000 1.007 18 V CB 1.825 33.805 31.823 0.262 0.000 1.045 18 V HN 0.589 nan 8.190 nan 0.000 0.432 19 P HA 0.245 nan 4.420 nan 0.000 0.273 19 P C -0.893 176.537 177.300 0.217 0.000 1.428 19 P CA 0.184 63.388 63.100 0.173 0.000 0.995 19 P CB -0.210 31.558 31.700 0.113 0.000 1.286 20 F N 3.413 123.416 119.950 0.088 0.000 2.438 20 F HA 0.221 4.742 4.527 -0.009 0.000 0.360 20 F C 0.582 176.374 175.800 -0.015 0.000 1.118 20 F CA -0.702 57.314 58.000 0.027 0.000 1.164 20 F CB 0.524 39.464 39.000 -0.101 0.000 1.131 20 F HN 0.221 nan 8.300 nan 0.000 0.527 21 E N 7.013 126.885 120.200 -0.547 0.000 2.156 21 E HA 0.337 4.681 4.350 -0.009 0.000 0.279 21 E C -1.334 174.841 176.600 -0.708 0.000 0.965 21 E CA -0.740 55.386 56.400 -0.456 0.000 0.789 21 E CB 0.960 30.521 29.700 -0.232 0.000 1.098 21 E HN 0.724 nan 8.360 nan 0.000 0.397 22 K N 3.873 123.983 120.400 -0.483 0.000 2.543 22 K HA 0.143 4.458 4.320 -0.009 0.000 0.255 22 K C -1.251 175.246 176.600 -0.172 0.000 0.934 22 K CA -0.512 55.553 56.287 -0.369 0.000 0.810 22 K CB 1.103 33.377 32.500 -0.377 0.000 1.315 22 K HN 0.525 nan 8.250 nan 0.000 0.433 23 D N 2.884 123.211 120.400 -0.121 0.000 2.751 23 D HA -0.198 4.437 4.640 -0.009 0.000 0.233 23 D C 0.636 176.899 176.300 -0.063 0.000 1.149 23 D CA 2.023 55.981 54.000 -0.070 0.000 0.682 23 D CB -1.163 39.610 40.800 -0.046 0.000 1.068 23 D HN 1.089 nan 8.370 nan 0.000 0.429 24 G N -0.841 107.914 108.800 -0.076 0.000 2.184 24 G HA2 -0.363 3.591 3.960 -0.009 0.000 0.264 24 G HA3 -0.363 3.591 3.960 -0.009 0.000 0.264 24 G C 0.318 175.187 174.900 -0.051 0.000 0.975 24 G CA 0.794 45.861 45.100 -0.056 0.000 0.642 24 G HN 0.530 nan 8.290 nan 0.000 0.536 25 K N 0.334 120.694 120.400 -0.066 0.000 2.203 25 K HA 0.695 5.010 4.320 -0.009 0.000 0.251 25 K C -0.686 175.876 176.600 -0.064 0.000 0.944 25 K CA -0.563 55.697 56.287 -0.045 0.000 0.829 25 K CB 2.153 34.638 32.500 -0.025 0.000 1.125 25 K HN 0.130 nan 8.250 nan 0.000 0.430 26 V N 2.693 122.591 119.914 -0.027 0.000 2.487 26 V HA 0.411 4.526 4.120 -0.009 0.000 0.298 26 V C -0.569 175.549 176.094 0.040 0.000 1.028 26 V CA -0.673 61.620 62.300 -0.011 0.000 0.860 26 V CB 1.830 33.654 31.823 0.001 0.000 0.991 26 V HN 0.859 nan 8.190 nan 0.000 0.427 27 T N 3.084 117.693 114.554 0.092 0.000 2.876 27 T HA 0.399 4.744 4.350 -0.009 0.000 0.289 27 T C -0.613 174.175 174.700 0.146 0.000 1.014 27 T CA -0.711 61.457 62.100 0.113 0.000 0.986 27 T CB 1.895 70.841 68.868 0.130 0.000 1.021 27 T HN 0.544 nan 8.240 nan 0.000 0.458 28 E N 2.558 122.823 120.200 0.108 0.000 2.104 28 E HA 0.146 4.490 4.350 -0.009 0.000 0.278 28 E C -0.051 176.618 176.600 0.115 0.000 1.127 28 E CA -0.001 56.468 56.400 0.114 0.000 0.897 28 E CB 0.782 30.528 29.700 0.078 0.000 1.043 28 E HN 0.388 nan 8.360 nan 0.000 0.410 29 R N 2.357 122.952 120.500 0.158 0.000 2.445 29 R HA 0.340 4.675 4.340 -0.009 0.000 0.308 29 R C -0.636 175.752 176.300 0.147 0.000 0.961 29 R CA -0.679 55.491 56.100 0.117 0.000 0.862 29 R CB 1.118 31.454 30.300 0.059 0.000 1.144 29 R HN 0.180 nan 8.270 nan 0.000 0.447 30 V N 4.628 124.597 119.914 0.093 0.000 2.715 30 V HA 0.125 4.239 4.120 -0.009 0.000 0.299 30 V C 0.019 176.170 176.094 0.094 0.000 1.054 30 V CA -0.220 62.136 62.300 0.094 0.000 1.077 30 V CB 1.431 33.288 31.823 0.057 0.000 0.972 30 V HN 0.493 nan 8.190 nan 0.000 0.484 31 V N 4.236 124.176 119.914 0.044 0.000 2.435 31 V HA 0.249 4.364 4.120 -0.009 0.000 0.290 31 V C 1.050 177.049 176.094 -0.159 0.000 1.030 31 V CA -0.400 61.800 62.300 -0.167 0.000 0.881 31 V CB 1.272 32.727 31.823 -0.613 0.000 0.983 31 V HN 0.980 nan 8.190 nan 0.000 0.445 32 H N 2.658 121.606 119.070 -0.203 0.000 2.293 32 H HA 0.039 4.590 4.556 -0.009 0.000 0.300 32 H C 0.448 175.687 175.328 -0.148 0.000 1.082 32 H CA 1.607 57.583 56.048 -0.120 0.000 1.308 32 H CB 0.671 30.388 29.762 -0.075 0.000 1.375 32 H HN 0.596 nan 8.280 nan 0.000 0.495 33 S N -1.041 114.606 115.700 -0.087 0.000 2.546 33 S HA 0.462 4.927 4.470 -0.009 0.000 0.274 33 S C -1.538 172.815 174.600 -0.412 0.000 1.121 33 S CA -0.638 57.527 58.200 -0.057 0.000 0.887 33 S CB 1.936 65.266 63.200 0.218 0.000 1.094 33 S HN 0.191 nan 8.310 nan 0.000 0.474 34 F N 1.601 121.559 119.950 0.014 0.000 2.507 34 F HA 0.657 5.178 4.527 -0.009 0.000 0.325 34 F C 0.703 176.424 175.800 -0.132 0.000 1.116 34 F CA -0.634 57.310 58.000 -0.093 0.000 0.930 34 F CB 1.602 40.552 39.000 -0.084 0.000 1.146 34 F HN 0.230 nan 8.300 nan 0.000 0.447 35 R N 1.533 122.010 120.500 -0.037 0.000 2.831 35 R HA 0.644 4.979 4.340 -0.009 0.000 0.266 35 R C -1.094 175.180 176.300 -0.044 0.000 1.051 35 R CA -1.288 54.757 56.100 -0.092 0.000 0.943 35 R CB 1.929 32.076 30.300 -0.255 0.000 1.228 35 R HN 0.717 nan 8.270 nan 0.000 0.467 36 L N 1.105 122.376 121.223 0.081 0.000 3.632 36 L HA -0.135 4.199 4.340 -0.009 0.000 0.510 36 L C -2.196 174.673 176.870 -0.001 0.000 1.299 36 L CA -0.374 54.522 54.840 0.095 0.000 0.829 36 L CB -1.094 40.985 42.059 0.033 0.000 1.559 36 L HN 0.386 nan 8.230 nan 0.000 0.857 37 P HA 0.315 nan 4.420 nan 0.000 0.271 37 P C -0.449 176.863 177.300 0.019 0.000 1.216 37 P CA 0.081 63.151 63.100 -0.050 0.000 0.771 37 P CB 1.548 33.245 31.700 -0.004 0.000 0.864 38 A N 3.894 126.731 122.820 0.028 0.000 2.375 38 A HA 0.570 4.884 4.320 -0.009 0.000 0.295 38 A C -1.438 176.231 177.584 0.141 0.000 1.066 38 A CA -0.634 51.461 52.037 0.096 0.000 0.722 38 A CB 0.927 19.989 19.000 0.104 0.000 1.206 38 A HN 0.501 nan 8.150 nan 0.000 0.435 39 L N 4.169 125.499 121.223 0.179 0.000 2.349 39 L HA 0.818 5.153 4.340 -0.009 0.000 0.278 39 L C -0.490 176.515 176.870 0.225 0.000 0.996 39 L CA -0.362 54.619 54.840 0.235 0.000 0.825 39 L CB 1.788 44.019 42.059 0.286 0.000 1.243 39 L HN 0.991 nan 8.230 nan 0.000 0.412 40 V N 1.787 121.834 119.914 0.221 0.000 3.160 40 V HA 0.730 4.845 4.120 -0.009 0.000 0.310 40 V C -1.126 175.061 176.094 0.156 0.000 1.181 40 V CA -0.829 61.582 62.300 0.184 0.000 1.047 40 V CB 2.090 34.017 31.823 0.172 0.000 1.068 40 V HN 0.827 nan 8.190 nan 0.000 0.441 41 N N 0.856 119.628 118.700 0.121 0.000 2.446 41 N HA 0.556 5.291 4.740 -0.009 0.000 0.265 41 N C -1.186 174.359 175.510 0.058 0.000 0.975 41 N CA -0.430 52.666 53.050 0.077 0.000 0.928 41 N CB 1.629 40.155 38.487 0.065 0.000 1.160 41 N HN 0.714 nan 8.380 nan 0.000 0.495 42 V N 3.599 123.534 119.914 0.035 0.000 2.277 42 V HA 0.241 4.356 4.120 -0.009 0.000 0.269 42 V C 0.243 176.327 176.094 -0.017 0.000 1.036 42 V CA -0.631 61.675 62.300 0.009 0.000 0.821 42 V CB 0.395 32.209 31.823 -0.015 0.000 1.052 42 V HN 0.859 nan 8.190 nan 0.000 0.462 43 D N 4.235 124.629 120.400 -0.011 0.000 2.751 43 D HA -0.191 4.443 4.640 -0.009 0.000 0.233 43 D C 1.302 177.584 176.300 -0.029 0.000 1.149 43 D CA 2.130 56.116 54.000 -0.023 0.000 0.682 43 D CB -1.077 39.701 40.800 -0.037 0.000 1.068 43 D HN 1.306 nan 8.370 nan 0.000 0.429 44 G N -2.598 106.188 108.800 -0.024 0.000 2.194 44 G HA2 -0.242 3.713 3.960 -0.009 0.000 0.236 44 G HA3 -0.242 3.713 3.960 -0.009 0.000 0.236 44 G C 0.287 175.158 174.900 -0.048 0.000 0.987 44 G CA 0.084 45.164 45.100 -0.034 0.000 0.635 44 G HN 0.861 nan 8.290 nan 0.000 0.520 45 V N 2.494 122.382 119.914 -0.043 0.000 2.370 45 V HA 0.586 4.701 4.120 -0.009 0.000 0.279 45 V C 0.819 176.900 176.094 -0.021 0.000 1.029 45 V CA -0.410 61.863 62.300 -0.046 0.000 0.870 45 V CB 1.608 33.401 31.823 -0.049 0.000 0.984 45 V HN 0.367 nan 8.190 nan 0.000 0.451 46 M N 4.840 124.397 119.600 -0.072 0.000 2.200 46 M HA 0.411 4.885 4.480 -0.009 0.000 0.355 46 M C -0.936 175.451 176.300 0.145 0.000 1.283 46 M CA 0.026 55.313 55.300 -0.021 0.000 1.124 46 M CB 1.261 33.732 32.600 -0.214 0.000 1.625 46 M HN 0.441 nan 8.290 nan 0.000 0.463 47 V N 3.254 123.325 119.914 0.261 0.000 2.588 47 V HA 0.675 4.790 4.120 -0.009 0.000 0.304 47 V C -0.476 175.854 176.094 0.394 0.000 1.042 47 V CA -0.926 61.600 62.300 0.377 0.000 0.877 47 V CB 1.767 33.768 31.823 0.298 0.000 0.996 47 V HN 0.902 nan 8.190 nan 0.000 0.425 48 A N 6.164 129.248 122.820 0.441 0.000 2.273 48 A HA 0.889 5.204 4.320 -0.009 0.000 0.315 48 A C -0.793 176.967 177.584 0.294 0.000 1.256 48 A CA -0.375 51.855 52.037 0.321 0.000 0.851 48 A CB 0.489 19.644 19.000 0.258 0.000 1.172 48 A HN 0.767 nan 8.150 nan 0.000 0.508 49 I N 1.679 122.343 120.570 0.157 0.000 2.562 49 I HA 0.760 4.924 4.170 -0.009 0.000 0.301 49 I C 0.396 176.466 176.117 -0.078 0.000 1.003 49 I CA -0.173 61.178 61.300 0.086 0.000 1.127 49 I CB 2.174 40.248 38.000 0.123 0.000 1.304 49 I HN 0.821 nan 8.210 nan 0.000 0.446 50 A N 3.642 126.393 122.820 -0.116 0.000 2.564 50 A HA 0.529 4.844 4.320 -0.009 0.000 0.291 50 A C -1.910 175.615 177.584 -0.098 0.000 1.102 50 A CA -0.717 51.210 52.037 -0.185 0.000 0.660 50 A CB 1.141 19.851 19.000 -0.482 0.000 1.283 50 A HN 0.529 nan 8.150 nan 0.000 0.430 51 D N 1.141 121.483 120.400 -0.096 0.000 2.308 51 D HA 0.521 5.155 4.640 -0.009 0.000 0.251 51 D C 0.100 176.331 176.300 -0.114 0.000 1.127 51 D CA 0.843 54.777 54.000 -0.110 0.000 0.876 51 D CB 1.488 42.207 40.800 -0.136 0.000 1.176 51 D HN 0.809 nan 8.370 nan 0.000 0.446 52 A N 4.020 126.714 122.820 -0.209 0.000 2.341 52 A HA 0.341 4.655 4.320 -0.009 0.000 0.326 52 A C 0.070 177.268 177.584 -0.644 0.000 1.402 52 A CA -0.721 51.022 52.037 -0.490 0.000 0.957 52 A CB 0.232 18.952 19.000 -0.466 0.000 1.151 52 A HN 0.405 nan 8.150 nan 0.000 0.533 53 R N 3.080 123.249 120.500 -0.551 0.000 2.296 53 R HA 0.226 4.560 4.340 -0.009 0.000 0.327 53 R C -0.418 175.698 176.300 -0.307 0.000 1.137 53 R CA -0.153 55.741 56.100 -0.345 0.000 1.020 53 R CB 0.255 30.414 30.300 -0.235 0.000 1.110 53 R HN 0.844 nan 8.270 nan 0.000 0.499 54 Y N 1.339 121.537 120.300 -0.170 0.000 2.181 54 Y HA -0.231 4.313 4.550 -0.009 0.000 0.288 54 Y C 1.636 177.469 175.900 -0.113 0.000 1.146 54 Y CA 1.493 59.490 58.100 -0.172 0.000 1.164 54 Y CB 0.300 38.626 38.460 -0.224 0.000 0.982 54 Y HN 0.539 nan 8.280 nan 0.000 0.515 55 E N -1.842 118.382 120.200 0.039 0.000 2.434 55 E HA 0.110 4.455 4.350 -0.009 0.000 0.207 55 E C 0.373 176.831 176.600 -0.237 0.000 0.929 55 E CA 0.545 56.926 56.400 -0.032 0.000 1.001 55 E CB 1.029 30.709 29.700 -0.035 0.000 1.016 55 E HN 0.109 nan 8.360 nan 0.000 0.502 56 T N -1.273 113.053 114.554 -0.380 0.000 2.775 56 T HA 0.067 4.412 4.350 -0.009 0.000 0.320 56 T C 0.098 174.572 174.700 -0.377 0.000 1.597 56 T CA -0.097 61.577 62.100 -0.710 0.000 1.022 56 T CB 1.186 69.884 68.868 -0.284 0.000 1.485 56 T HN -0.030 nan 8.240 nan 0.000 0.494 57 S N 1.851 117.404 115.700 -0.245 0.000 2.562 57 S HA 0.202 4.666 4.470 -0.009 0.000 0.221 57 S C 0.675 175.251 174.600 -0.040 0.000 0.975 57 S CA -0.335 57.839 58.200 -0.043 0.000 0.918 57 S CB -0.579 62.743 63.200 0.202 0.000 0.772 57 S HN 0.614 nan 8.310 nan 0.000 0.531 58 F N 4.002 123.859 119.950 -0.154 0.000 2.623 58 F HA 0.105 4.627 4.527 -0.008 0.000 0.383 58 F C 0.871 176.603 175.800 -0.113 0.000 1.077 58 F CA -0.738 57.186 58.000 -0.125 0.000 1.268 58 F CB 0.177 39.111 39.000 -0.109 0.000 1.053 58 F HN -0.014 nan 8.300 nan 0.000 0.571 59 D N 2.744 122.754 120.400 -0.650 0.000 2.149 59 D HA -0.194 4.441 4.640 -0.009 0.000 0.198 59 D C 0.407 176.380 176.300 -0.546 0.000 0.990 59 D CA 1.489 55.190 54.000 -0.499 0.000 0.839 59 D CB -0.123 40.480 40.800 -0.327 0.000 0.948 59 D HN 0.466 nan 8.370 nan 0.000 0.460 60 N N 0.861 118.979 118.700 -0.971 0.000 3.301 60 N HA 0.112 4.847 4.740 -0.009 0.000 0.289 60 N C -0.389 175.059 175.510 -0.105 0.000 1.343 60 N CA -0.025 52.741 53.050 -0.473 0.000 1.136 60 N CB 0.779 39.032 38.487 -0.392 0.000 1.402 60 N HN 0.061 nan 8.380 nan 0.000 0.516 61 S N -0.912 114.748 115.700 -0.067 0.000 2.776 61 S HA 0.454 4.918 4.470 -0.009 0.000 0.292 61 S C -0.580 174.039 174.600 0.031 0.000 1.187 61 S CA -0.934 57.295 58.200 0.049 0.000 0.834 61 S CB 1.367 64.619 63.200 0.087 0.000 1.199 61 S HN 0.130 nan 8.310 nan 0.000 0.514 62 L N 1.331 122.593 121.223 0.065 0.000 2.500 62 L HA 0.533 4.867 4.340 -0.009 0.000 0.272 62 L C -1.114 175.861 176.870 0.174 0.000 1.149 62 L CA 0.587 55.501 54.840 0.124 0.000 0.897 62 L CB -0.800 41.331 42.059 0.119 0.000 1.178 62 L HN 0.578 nan 8.230 nan 0.000 0.473 63 I N 4.220 124.878 120.570 0.146 0.000 2.607 63 I HA 0.368 4.532 4.170 -0.009 0.000 0.290 63 I C -1.067 175.110 176.117 0.100 0.000 1.129 63 I CA -0.790 60.538 61.300 0.047 0.000 1.042 63 I CB 2.070 40.038 38.000 -0.054 0.000 1.242 63 I HN 0.439 nan 8.210 nan 0.000 0.421 64 D N 2.849 123.290 120.400 0.068 0.000 2.374 64 D HA 0.414 5.048 4.640 -0.009 0.000 0.239 64 D C -0.585 175.684 176.300 -0.051 0.000 0.991 64 D CA -0.299 53.745 54.000 0.073 0.000 0.960 64 D CB 2.263 43.196 40.800 0.220 0.000 1.284 64 D HN 0.313 nan 8.370 nan 0.000 0.512 65 T N 0.507 115.014 114.554 -0.077 0.000 2.743 65 T HA 0.325 4.670 4.350 -0.009 0.000 0.293 65 T C 0.048 174.682 174.700 -0.109 0.000 0.945 65 T CA -0.392 61.639 62.100 -0.116 0.000 1.030 65 T CB 0.886 69.648 68.868 -0.177 0.000 0.912 65 T HN 0.090 nan 8.240 nan 0.000 0.483 66 V N 2.974 122.875 119.914 -0.023 0.000 2.617 66 V HA 0.866 4.980 4.120 -0.009 0.000 0.298 66 V C -0.389 175.762 176.094 0.096 0.000 1.048 66 V CA -0.630 61.713 62.300 0.072 0.000 0.964 66 V CB 1.203 33.184 31.823 0.263 0.000 1.004 66 V HN 1.038 nan 8.190 nan 0.000 0.466 67 A N 5.922 128.822 122.820 0.134 0.000 2.371 67 A HA 0.818 5.133 4.320 -0.009 0.000 0.311 67 A C -0.712 177.048 177.584 0.293 0.000 1.068 67 A CA -0.845 51.348 52.037 0.260 0.000 0.744 67 A CB 1.374 20.574 19.000 0.334 0.000 1.239 67 A HN 0.852 nan 8.150 nan 0.000 0.435 68 K N 0.826 121.413 120.400 0.313 0.000 2.318 68 K HA 0.655 4.969 4.320 -0.009 0.000 0.249 68 K C -1.594 175.310 176.600 0.506 0.000 0.942 68 K CA -0.500 55.895 56.287 0.180 0.000 0.808 68 K CB 2.152 34.482 32.500 -0.282 0.000 1.189 68 K HN 0.757 nan 8.250 nan 0.000 0.428 69 Y N -2.056 118.482 120.300 0.397 0.000 2.553 69 Y HA 0.702 5.247 4.550 -0.009 0.000 0.347 69 Y C -0.746 175.115 175.900 -0.065 0.000 1.019 69 Y CA -1.095 57.149 58.100 0.241 0.000 1.032 69 Y CB 2.049 40.588 38.460 0.132 0.000 1.284 69 Y HN 0.433 nan 8.280 nan 0.000 0.466 70 S N 1.079 116.610 115.700 -0.281 0.000 2.548 70 S HA 0.527 4.992 4.470 -0.009 0.000 0.276 70 S C -0.399 173.986 174.600 -0.359 0.000 1.129 70 S CA -0.185 57.617 58.200 -0.662 0.000 0.931 70 S CB 1.504 63.684 63.200 -1.700 0.000 1.068 70 S HN 1.410 nan 8.310 nan 0.000 0.480 71 V N 0.669 120.429 119.914 -0.258 0.000 3.483 71 V HA 0.439 4.554 4.120 -0.009 0.000 0.301 71 V C 0.148 176.135 176.094 -0.179 0.000 1.389 71 V CA 0.432 62.635 62.300 -0.160 0.000 1.101 71 V CB -0.210 31.567 31.823 -0.077 0.000 0.971 71 V HN 0.797 nan 8.190 nan 0.000 0.434 72 D N -1.124 119.120 120.400 -0.261 0.000 2.788 72 D HA 0.182 4.816 4.640 -0.009 0.000 0.289 72 D C 0.060 176.239 176.300 -0.200 0.000 1.340 72 D CA -0.393 53.492 54.000 -0.192 0.000 0.831 72 D CB -0.404 40.302 40.800 -0.157 0.000 1.103 72 D HN 0.214 nan 8.370 nan 0.000 0.476 73 D N 0.294 120.543 120.400 -0.251 0.000 2.772 73 D HA -0.138 4.497 4.640 -0.009 0.000 0.233 73 D C 1.278 177.451 176.300 -0.211 0.000 1.143 73 D CA 1.496 55.372 54.000 -0.206 0.000 0.700 73 D CB -1.385 39.424 40.800 0.016 0.000 1.076 73 D HN 0.718 nan 8.370 nan 0.000 0.430 74 G N -0.385 108.054 108.800 -0.600 0.000 2.175 74 G HA2 -0.376 3.579 3.960 -0.009 0.000 0.244 74 G HA3 -0.376 3.579 3.960 -0.009 0.000 0.244 74 G C 0.797 175.589 174.900 -0.181 0.000 0.982 74 G CA 0.830 45.546 45.100 -0.639 0.000 0.641 74 G HN 0.443 nan 8.290 nan 0.000 0.527 75 E N 0.782 120.866 120.200 -0.193 0.000 2.046 75 E HA 0.140 4.484 4.350 -0.009 0.000 0.190 75 E C 1.684 178.239 176.600 -0.075 0.000 0.982 75 E CA 2.019 58.392 56.400 -0.045 0.000 0.800 75 E CB 0.001 29.677 29.700 -0.039 0.000 0.756 75 E HN 0.894 nan 8.360 nan 0.000 0.449 76 T N -2.754 111.637 114.554 -0.271 0.000 2.907 76 T HA 0.618 4.963 4.350 -0.009 0.000 0.292 76 T C -1.042 173.394 174.700 -0.439 0.000 1.043 76 T CA -0.936 61.056 62.100 -0.180 0.000 1.003 76 T CB 1.077 69.869 68.868 -0.127 0.000 1.084 76 T HN 0.112 nan 8.240 nan 0.000 0.483 77 W N 0.119 121.263 121.300 -0.259 0.000 3.033 77 W HA 0.611 5.266 4.660 -0.010 0.000 0.336 77 W C -0.288 175.999 176.519 -0.387 0.000 1.173 77 W CA -0.751 56.388 57.345 -0.343 0.000 1.185 77 W CB 1.593 30.818 29.460 -0.392 0.000 1.425 77 W HN 0.589 nan 8.180 nan 0.000 0.536 78 E N 0.894 120.878 120.200 -0.361 0.000 2.222 78 E HA 0.627 4.971 4.350 -0.009 0.000 0.272 78 E C -0.770 175.614 176.600 -0.360 0.000 0.982 78 E CA -0.550 55.574 56.400 -0.462 0.000 0.842 78 E CB 1.979 31.168 29.700 -0.852 0.000 1.144 78 E HN 0.223 nan 8.360 nan 0.000 0.397 79 T N 2.094 116.547 114.554 -0.169 0.000 2.861 79 T HA 0.462 4.807 4.350 -0.009 0.000 0.287 79 T C -0.393 174.349 174.700 0.069 0.000 1.003 79 T CA -0.869 61.198 62.100 -0.055 0.000 0.977 79 T CB 1.531 70.349 68.868 -0.083 0.000 0.996 79 T HN 0.414 nan 8.240 nan 0.000 0.448 80 Q N 1.425 121.310 119.800 0.142 0.000 2.565 80 Q HA 0.620 4.954 4.340 -0.009 0.000 0.294 80 Q C -1.596 174.458 176.000 0.090 0.000 1.005 80 Q CA -1.206 54.692 55.803 0.157 0.000 0.771 80 Q CB 1.370 30.271 28.738 0.272 0.000 1.486 80 Q HN 0.335 nan 8.270 nan 0.000 0.422 81 I N 1.668 122.263 120.570 0.043 0.000 2.315 81 I HA 0.266 4.431 4.170 -0.009 0.000 0.291 81 I C 0.779 176.733 176.117 -0.271 0.000 1.006 81 I CA -0.173 61.099 61.300 -0.046 0.000 1.265 81 I CB 0.813 38.831 38.000 0.031 0.000 1.387 81 I HN 1.008 nan 8.210 nan 0.000 0.475 82 A N 7.709 130.186 122.820 -0.571 0.000 1.930 82 A HA 0.205 4.519 4.320 -0.009 0.000 0.215 82 A C 0.894 178.014 177.584 -0.773 0.000 1.176 82 A CA 1.066 52.259 52.037 -1.407 0.000 0.632 82 A CB 0.114 18.008 19.000 -1.845 0.000 0.819 82 A HN 0.618 nan 8.150 nan 0.000 0.445 83 I N 0.221 120.539 120.570 -0.420 0.000 2.571 83 I HA 0.236 4.401 4.170 -0.009 0.000 0.289 83 I C -0.809 175.237 176.117 -0.119 0.000 1.115 83 I CA -0.840 60.329 61.300 -0.219 0.000 1.045 83 I CB 2.256 40.141 38.000 -0.192 0.000 1.238 83 I HN 0.244 nan 8.210 nan 0.000 0.424 84 K N 5.260 125.615 120.400 -0.075 0.000 2.098 84 K HA 0.474 4.788 4.320 -0.009 0.000 0.258 84 K C -0.391 176.190 176.600 -0.032 0.000 0.973 84 K CA -0.797 55.471 56.287 -0.031 0.000 0.898 84 K CB 1.311 33.780 32.500 -0.051 0.000 1.057 84 K HN 0.678 nan 8.250 nan 0.000 0.447 85 N N 0.487 119.192 118.700 0.008 0.000 2.294 85 N HA -0.104 4.631 4.740 -0.009 0.000 0.248 85 N C 0.584 176.081 175.510 -0.022 0.000 1.300 85 N CA -0.160 52.888 53.050 -0.003 0.000 0.925 85 N CB 0.752 39.264 38.487 0.043 0.000 1.188 85 N HN 0.775 nan 8.380 nan 0.000 0.512 86 S N -0.746 114.937 115.700 -0.028 0.000 2.507 86 S HA -0.077 4.387 4.470 -0.009 0.000 0.235 86 S C 0.596 175.181 174.600 -0.024 0.000 0.988 86 S CA -0.081 58.097 58.200 -0.037 0.000 0.944 86 S CB -0.384 62.791 63.200 -0.042 0.000 0.762 86 S HN 0.662 nan 8.310 nan 0.000 0.526 87 R N -0.419 120.080 120.500 -0.002 0.000 3.758 87 R HA -0.206 4.129 4.340 -0.009 0.000 0.299 87 R C 1.114 177.419 176.300 0.008 0.000 1.182 87 R CA 0.839 56.943 56.100 0.007 0.000 0.809 87 R CB -2.661 27.621 30.300 -0.030 0.000 1.249 87 R HN 0.696 nan 8.270 nan 0.000 0.497 88 A N 0.132 122.958 122.820 0.010 0.000 2.014 88 A HA 0.037 4.352 4.320 -0.009 0.000 0.218 88 A C 1.135 178.731 177.584 0.020 0.000 1.163 88 A CA 1.540 53.583 52.037 0.010 0.000 0.652 88 A CB 0.155 19.159 19.000 0.008 0.000 0.808 88 A HN 0.665 nan 8.150 nan 0.000 0.449 89 S N -2.722 112.997 115.700 0.032 0.000 2.688 89 S HA 0.364 4.829 4.470 -0.009 0.000 0.275 89 S C 0.710 175.335 174.600 0.042 0.000 1.175 89 S CA 0.417 58.638 58.200 0.034 0.000 0.818 89 S CB 0.629 63.852 63.200 0.038 0.000 1.157 89 S HN 0.800 nan 8.310 nan 0.000 0.482 90 S N -0.222 115.499 115.700 0.036 0.000 2.547 90 S HA -0.023 4.441 4.470 -0.009 0.000 0.235 90 S C 1.269 175.897 174.600 0.046 0.000 0.980 90 S CA 0.858 59.078 58.200 0.032 0.000 0.941 90 S CB -0.933 62.278 63.200 0.019 0.000 0.763 90 S HN 1.751 nan 8.310 nan 0.000 0.532 91 V N -2.286 117.663 119.914 0.059 0.000 3.159 91 V HA 0.458 4.572 4.120 -0.009 0.000 0.333 91 V C 0.146 176.285 176.094 0.074 0.000 1.424 91 V CA -0.698 61.644 62.300 0.070 0.000 1.125 91 V CB -0.379 31.494 31.823 0.084 0.000 1.075 91 V HN 0.242 nan 8.190 nan 0.000 0.482 92 S N 3.002 118.747 115.700 0.076 0.000 2.568 92 S HA 0.588 5.052 4.470 -0.009 0.000 0.282 92 S C 0.182 174.833 174.600 0.084 0.000 1.338 92 S CA -0.062 58.185 58.200 0.080 0.000 1.045 92 S CB 0.299 63.535 63.200 0.060 0.000 0.873 92 S HN 0.950 nan 8.310 nan 0.000 0.516 93 R N -0.764 119.786 120.500 0.083 0.000 2.634 93 R HA 0.568 4.903 4.340 -0.009 0.000 0.263 93 R C -1.756 174.568 176.300 0.040 0.000 1.060 93 R CA -1.055 55.083 56.100 0.063 0.000 0.898 93 R CB 0.531 30.853 30.300 0.036 0.000 1.253 93 R HN 0.392 nan 8.270 nan 0.000 0.461 94 V N -0.155 119.754 119.914 -0.007 0.000 2.435 94 V HA 0.841 4.956 4.120 -0.009 0.000 0.290 94 V C 0.378 176.428 176.094 -0.073 0.000 1.030 94 V CA -0.668 61.595 62.300 -0.062 0.000 0.881 94 V CB 1.136 32.901 31.823 -0.096 0.000 0.983 94 V HN 0.722 nan 8.190 nan 0.000 0.445 95 V N -0.089 119.767 119.914 -0.096 0.000 3.102 95 V HA 0.722 4.837 4.120 -0.009 0.000 0.312 95 V C -0.214 175.781 176.094 -0.165 0.000 1.135 95 V CA -0.771 61.456 62.300 -0.123 0.000 1.022 95 V CB 1.648 33.394 31.823 -0.128 0.000 1.056 95 V HN 0.871 nan 8.190 nan 0.000 0.436 96 D N 0.563 120.870 120.400 -0.154 0.000 2.697 96 D HA -0.101 4.534 4.640 -0.009 0.000 0.235 96 D C -2.339 173.882 176.300 -0.133 0.000 1.167 96 D CA 1.180 55.091 54.000 -0.149 0.000 0.656 96 D CB -1.167 39.504 40.800 -0.216 0.000 1.025 96 D HN 0.777 nan 8.370 nan 0.000 0.419 97 P HA 0.035 nan 4.420 nan 0.000 0.263 97 P C -0.260 177.031 177.300 -0.014 0.000 1.195 97 P CA 0.393 63.450 63.100 -0.071 0.000 0.762 97 P CB 0.864 32.530 31.700 -0.058 0.000 0.799 98 T N 2.913 117.473 114.554 0.011 0.000 2.812 98 T HA 0.382 4.727 4.350 -0.009 0.000 0.282 98 T C -0.174 174.724 174.700 0.331 0.000 0.990 98 T CA -0.463 61.719 62.100 0.137 0.000 0.960 98 T CB 1.172 70.090 68.868 0.083 0.000 0.948 98 T HN 0.060 nan 8.240 nan 0.000 0.438 99 V N 4.669 124.784 119.914 0.335 0.000 2.459 99 V HA 0.573 4.687 4.120 -0.009 0.000 0.295 99 V C -0.278 176.000 176.094 0.307 0.000 1.029 99 V CA -0.819 61.686 62.300 0.342 0.000 0.874 99 V CB 1.561 33.537 31.823 0.255 0.000 0.985 99 V HN 0.799 nan 8.190 nan 0.000 0.438 100 I N 4.178 124.931 120.570 0.304 0.000 2.474 100 I HA 0.498 4.662 4.170 -0.009 0.000 0.294 100 I C -0.638 175.628 176.117 0.247 0.000 1.005 100 I CA -0.896 60.506 61.300 0.170 0.000 1.113 100 I CB 2.280 40.264 38.000 -0.026 0.000 1.289 100 I HN 0.271 nan 8.210 nan 0.000 0.436 101 V N 6.170 126.185 119.914 0.169 0.000 2.394 101 V HA 0.432 4.546 4.120 -0.009 0.000 0.282 101 V C -0.160 176.016 176.094 0.137 0.000 1.031 101 V CA -0.534 61.860 62.300 0.156 0.000 0.881 101 V CB 1.555 33.444 31.823 0.109 0.000 0.982 101 V HN 0.630 nan 8.190 nan 0.000 0.451 102 K N 3.309 123.811 120.400 0.170 0.000 2.565 102 K HA 0.575 4.890 4.320 -0.009 0.000 0.249 102 K C 0.609 177.266 176.600 0.094 0.000 0.958 102 K CA 0.333 56.695 56.287 0.125 0.000 0.806 102 K CB 1.576 34.162 32.500 0.143 0.000 1.194 102 K HN 0.905 nan 8.250 nan 0.000 0.434 103 G N 3.697 112.524 108.800 0.044 0.000 2.629 103 G HA2 -0.409 3.545 3.960 -0.009 0.000 0.313 103 G HA3 -0.409 3.545 3.960 -0.009 0.000 0.313 103 G C 0.152 175.050 174.900 -0.004 0.000 1.217 103 G CA 0.690 45.799 45.100 0.015 0.000 0.994 103 G HN 0.836 nan 8.290 nan 0.000 0.549 104 N N 1.055 119.737 118.700 -0.030 0.000 2.273 104 N HA 0.204 4.938 4.740 -0.009 0.000 0.231 104 N C -0.120 175.321 175.510 -0.115 0.000 1.134 104 N CA 0.251 53.259 53.050 -0.070 0.000 0.856 104 N CB 0.508 38.943 38.487 -0.085 0.000 1.068 104 N HN 0.440 nan 8.380 nan 0.000 0.510 105 K N 0.749 121.097 120.400 -0.087 0.000 2.259 105 K HA 0.464 4.779 4.320 -0.009 0.000 0.249 105 K C -0.527 175.988 176.600 -0.141 0.000 0.942 105 K CA -0.634 55.536 56.287 -0.196 0.000 0.816 105 K CB 2.411 34.754 32.500 -0.263 0.000 1.155 105 K HN 0.069 nan 8.250 nan 0.000 0.428 106 L N 2.814 123.887 121.223 -0.250 0.000 2.305 106 L HA 0.400 4.734 4.340 -0.009 0.000 0.284 106 L C -0.853 175.974 176.870 -0.071 0.000 1.013 106 L CA -0.834 53.979 54.840 -0.044 0.000 0.819 106 L CB 0.662 42.718 42.059 -0.004 0.000 1.227 106 L HN 0.426 nan 8.230 nan 0.000 0.417 107 Y N 2.914 123.333 120.300 0.199 0.000 2.335 107 Y HA 0.509 5.056 4.550 -0.006 0.000 0.339 107 Y C -0.115 176.008 175.900 0.373 0.000 0.987 107 Y CA -0.708 57.566 58.100 0.289 0.000 1.140 107 Y CB 1.656 40.300 38.460 0.306 0.000 1.173 107 Y HN 0.162 nan 8.280 nan 0.000 0.486 108 V N 5.746 125.929 119.914 0.448 0.000 2.444 108 V HA 0.315 4.430 4.120 -0.009 0.000 0.294 108 V C -0.831 175.345 176.094 0.138 0.000 1.022 108 V CA -0.822 61.663 62.300 0.309 0.000 0.850 108 V CB 1.707 33.676 31.823 0.245 0.000 0.992 108 V HN 0.514 nan 8.190 nan 0.000 0.426 109 L N 7.659 128.863 121.223 -0.032 0.000 2.282 109 L HA 0.836 5.171 4.340 -0.009 0.000 0.288 109 L C -0.337 176.364 176.870 -0.282 0.000 1.033 109 L CA 0.011 54.668 54.840 -0.305 0.000 0.807 109 L CB 1.560 43.111 42.059 -0.847 0.000 1.209 109 L HN 0.595 nan 8.230 nan 0.000 0.423 110 V N 2.072 121.814 119.914 -0.286 0.000 2.876 110 V HA 0.940 5.054 4.120 -0.009 0.000 0.312 110 V C 0.332 176.202 176.094 -0.373 0.000 1.085 110 V CA -0.340 61.792 62.300 -0.280 0.000 0.945 110 V CB 1.097 32.797 31.823 -0.204 0.000 1.017 110 V HN 0.855 nan 8.190 nan 0.000 0.428 111 G N 0.997 109.585 108.800 -0.352 0.000 2.539 111 G HA2 0.513 4.467 3.960 -0.009 0.000 0.258 111 G HA3 0.513 4.467 3.960 -0.009 0.000 0.258 111 G C -0.319 174.362 174.900 -0.366 0.000 1.202 111 G CA -0.005 44.846 45.100 -0.415 0.000 0.851 111 G HN 1.267 nan 8.290 nan 0.000 0.556 112 S N -0.221 115.115 115.700 -0.606 0.000 2.594 112 S HA 0.667 5.132 4.470 -0.009 0.000 0.296 112 S C -1.567 172.685 174.600 -0.580 0.000 1.124 112 S CA -0.649 57.304 58.200 -0.413 0.000 1.011 112 S CB 0.648 63.612 63.200 -0.393 0.000 1.016 112 S HN 0.428 nan 8.310 nan 0.000 0.485 113 Y N 3.202 123.451 120.300 -0.085 0.000 2.499 113 Y HA 0.492 5.036 4.550 -0.009 0.000 0.347 113 Y C 1.169 177.065 175.900 -0.005 0.000 0.987 113 Y CA -0.880 57.220 58.100 -0.000 0.000 1.044 113 Y CB 1.738 40.228 38.460 0.050 0.000 1.245 113 Y HN 0.596 nan 8.280 nan 0.000 0.461 114 N N -0.168 118.615 118.700 0.138 0.000 2.349 114 N HA 0.017 4.751 4.740 -0.009 0.000 0.180 114 N C 0.374 175.939 175.510 0.092 0.000 1.024 114 N CA 0.934 54.032 53.050 0.079 0.000 0.869 114 N CB 0.302 38.811 38.487 0.036 0.000 1.022 114 N HN 0.489 nan 8.380 nan 0.000 0.433 115 S N -0.625 115.141 115.700 0.110 0.000 2.904 115 S HA 0.084 4.549 4.470 -0.009 0.000 0.260 115 S C -0.026 174.623 174.600 0.082 0.000 1.000 115 S CA -0.512 57.737 58.200 0.082 0.000 1.274 115 S CB 0.557 63.789 63.200 0.052 0.000 1.196 115 S HN 0.308 nan 8.310 nan 0.000 0.678 116 S N 1.268 117.036 115.700 0.113 0.000 2.565 116 S HA 0.440 4.905 4.470 -0.009 0.000 0.276 116 S C 0.406 175.068 174.600 0.102 0.000 1.326 116 S CA -0.463 57.782 58.200 0.075 0.000 1.045 116 S CB 1.212 64.441 63.200 0.049 0.000 0.918 116 S HN 0.230 nan 8.310 nan 0.000 0.505 117 R N 1.114 121.682 120.500 0.114 0.000 2.393 117 R HA 0.219 4.554 4.340 -0.009 0.000 0.244 117 R C 0.368 176.808 176.300 0.234 0.000 0.920 117 R CA 0.166 56.380 56.100 0.191 0.000 1.076 117 R CB 0.464 30.875 30.300 0.186 0.000 1.119 117 R HN 0.827 nan 8.270 nan 0.000 0.524 118 S N -1.390 114.430 115.700 0.200 0.000 2.593 118 S HA 0.249 4.714 4.470 -0.009 0.000 0.297 118 S C -0.520 174.227 174.600 0.245 0.000 1.112 118 S CA -0.877 57.468 58.200 0.241 0.000 1.043 118 S CB 1.070 64.403 63.200 0.221 0.000 1.054 118 S HN 0.145 nan 8.310 nan 0.000 0.516 119 Y N 3.608 123.922 120.300 0.024 0.000 2.610 119 Y HA 0.078 4.622 4.550 -0.009 0.000 0.332 119 Y C 1.571 177.348 175.900 -0.205 0.000 1.201 119 Y CA -0.344 57.700 58.100 -0.093 0.000 1.465 119 Y CB 0.452 38.855 38.460 -0.095 0.000 1.283 119 Y HN 0.899 nan 8.280 nan 0.000 0.563 120 W N 3.681 124.350 121.300 -1.051 0.000 2.350 120 W HA -0.216 4.437 4.660 -0.010 0.000 0.289 120 W C 1.299 177.373 176.519 -0.742 0.000 1.215 120 W CA 2.020 58.639 57.345 -1.211 0.000 1.236 120 W CB -1.921 26.971 29.460 -0.945 0.000 1.130 120 W HN 0.599 nan 8.180 nan 0.000 0.541 121 T N -1.444 112.321 114.554 -1.315 0.000 3.113 121 T HA -0.008 4.336 4.350 -0.009 0.000 0.263 121 T C 1.550 176.037 174.700 -0.355 0.000 1.143 121 T CA 1.243 62.764 62.100 -0.965 0.000 1.090 121 T CB -0.459 67.955 68.868 -0.757 0.000 0.922 121 T HN 0.104 nan 8.240 nan 0.000 0.521 122 S N -0.015 115.587 115.700 -0.163 0.000 2.535 122 S HA 0.145 4.610 4.470 -0.009 0.000 0.214 122 S C 0.344 175.029 174.600 0.142 0.000 0.980 122 S CA -0.537 57.681 58.200 0.031 0.000 0.907 122 S CB -0.233 63.038 63.200 0.119 0.000 0.790 122 S HN 0.726 nan 8.310 nan 0.000 0.510 123 H N 0.105 119.152 119.070 -0.037 0.000 2.886 123 H HA 0.151 4.702 4.556 -0.009 0.000 0.329 123 H C 1.481 176.806 175.328 -0.005 0.000 1.044 123 H CA -0.187 55.868 56.048 0.012 0.000 1.456 123 H CB 0.821 30.626 29.762 0.071 0.000 1.464 123 H HN 0.299 nan 8.280 nan 0.000 0.573 124 G N 2.536 111.407 108.800 0.118 0.000 2.623 124 G HA2 -0.079 3.875 3.960 -0.009 0.000 0.214 124 G HA3 -0.079 3.875 3.960 -0.009 0.000 0.214 124 G C -0.123 174.815 174.900 0.062 0.000 1.138 124 G CA 0.572 45.707 45.100 0.059 0.000 0.794 124 G HN 0.787 nan 8.290 nan 0.000 0.535 125 D N -2.984 117.475 120.400 0.099 0.000 2.768 125 D HA 0.505 5.139 4.640 -0.009 0.000 0.327 125 D C 0.110 176.506 176.300 0.160 0.000 1.302 125 D CA -0.172 53.887 54.000 0.099 0.000 0.897 125 D CB 0.738 41.581 40.800 0.072 0.000 1.420 125 D HN -0.042 nan 8.370 nan 0.000 0.494 126 A N -0.429 122.493 122.820 0.171 0.000 2.577 126 A HA 0.175 4.490 4.320 -0.009 0.000 0.280 126 A C 1.555 179.311 177.584 0.287 0.000 1.331 126 A CA -0.058 52.137 52.037 0.264 0.000 0.935 126 A CB -0.777 18.403 19.000 0.300 0.000 1.082 126 A HN 0.511 nan 8.150 nan 0.000 0.525 127 R N -0.546 120.067 120.500 0.188 0.000 2.152 127 R HA -0.125 4.209 4.340 -0.009 0.000 0.232 127 R C 0.644 177.026 176.300 0.137 0.000 1.117 127 R CA 1.843 58.024 56.100 0.135 0.000 0.981 127 R CB -0.283 30.062 30.300 0.076 0.000 0.870 127 R HN 0.253 nan 8.270 nan 0.000 0.451 128 D N -0.739 119.779 120.400 0.196 0.000 2.363 128 D HA 0.052 4.686 4.640 -0.009 0.000 0.214 128 D C -0.906 175.487 176.300 0.155 0.000 1.093 128 D CA -0.239 53.877 54.000 0.193 0.000 0.837 128 D CB 0.218 41.168 40.800 0.251 0.000 0.948 128 D HN 0.340 nan 8.370 nan 0.000 0.507 129 W N 0.685 121.916 121.300 -0.116 0.000 2.689 129 W HA 0.548 5.201 4.660 -0.010 0.000 0.340 129 W C -1.128 175.183 176.519 -0.347 0.000 1.060 129 W CA -0.666 56.417 57.345 -0.437 0.000 1.218 129 W CB 1.274 30.562 29.460 -0.287 0.000 1.410 129 W HN -0.303 nan 8.180 nan 0.000 0.528 130 D N 3.512 123.073 120.400 -1.398 0.000 2.570 130 D HA 0.413 5.047 4.640 -0.009 0.000 0.244 130 D C -1.952 173.247 176.300 -1.834 0.000 1.178 130 D CA -0.646 52.444 54.000 -1.517 0.000 0.881 130 D CB 2.258 42.613 40.800 -0.741 0.000 1.453 130 D HN 0.345 nan 8.370 nan 0.000 0.447 131 I N 1.851 121.567 120.570 -1.423 0.000 2.478 131 I HA 0.474 4.639 4.170 -0.009 0.000 0.287 131 I C -1.679 174.070 176.117 -0.613 0.000 1.042 131 I CA -0.389 60.284 61.300 -1.045 0.000 1.067 131 I CB 1.059 38.324 38.000 -1.225 0.000 1.233 131 I HN 0.335 nan 8.210 nan 0.000 0.431 132 L N 7.137 128.080 121.223 -0.466 0.000 2.354 132 L HA 0.638 4.972 4.340 -0.009 0.000 0.269 132 L C -1.276 175.480 176.870 -0.189 0.000 1.005 132 L CA -1.077 53.598 54.840 -0.275 0.000 0.819 132 L CB 2.023 43.940 42.059 -0.236 0.000 1.311 132 L HN 0.494 nan 8.230 nan 0.000 0.423 133 L N 2.207 123.393 121.223 -0.061 0.000 2.356 133 L HA 0.868 5.203 4.340 -0.009 0.000 0.277 133 L C -0.585 176.354 176.870 0.115 0.000 0.996 133 L CA -0.075 54.794 54.840 0.048 0.000 0.822 133 L CB 1.591 43.740 42.059 0.150 0.000 1.256 133 L HN 0.704 nan 8.230 nan 0.000 0.413 134 A N 4.611 127.524 122.820 0.155 0.000 2.365 134 A HA 0.846 5.161 4.320 -0.009 0.000 0.318 134 A C -1.415 176.326 177.584 0.262 0.000 1.091 134 A CA -0.580 51.578 52.037 0.202 0.000 0.763 134 A CB 1.726 20.842 19.000 0.194 0.000 1.248 134 A HN 0.487 nan 8.150 nan 0.000 0.442 135 V N 1.441 121.452 119.914 0.162 0.000 2.448 135 V HA 0.687 4.801 4.120 -0.009 0.000 0.295 135 V C 0.714 176.686 176.094 -0.204 0.000 1.025 135 V CA -0.166 62.081 62.300 -0.088 0.000 0.859 135 V CB 1.708 33.377 31.823 -0.257 0.000 0.988 135 V HN 1.166 nan 8.190 nan 0.000 0.431 136 G N 2.765 111.191 108.800 -0.623 0.000 2.379 136 G HA2 0.627 4.582 3.960 -0.009 0.000 0.327 136 G HA3 0.627 4.582 3.960 -0.009 0.000 0.327 136 G C -0.866 173.571 174.900 -0.771 0.000 1.145 136 G CA -0.373 43.945 45.100 -1.303 0.000 0.905 136 G HN 0.734 nan 8.290 nan 0.000 0.466 137 E N 1.786 121.617 120.200 -0.615 0.000 2.145 137 E HA 0.459 4.804 4.350 -0.009 0.000 0.270 137 E C -0.855 175.513 176.600 -0.387 0.000 0.906 137 E CA -0.622 55.539 56.400 -0.398 0.000 0.761 137 E CB 1.675 31.212 29.700 -0.272 0.000 1.116 137 E HN 0.197 nan 8.360 nan 0.000 0.408 138 V N 4.659 124.384 119.914 -0.315 0.000 2.383 138 V HA 0.342 4.456 4.120 -0.009 0.000 0.275 138 V C 0.111 176.083 176.094 -0.204 0.000 1.036 138 V CA -0.392 61.736 62.300 -0.288 0.000 0.889 138 V CB 1.143 32.822 31.823 -0.241 0.000 0.985 138 V HN 0.849 nan 8.190 nan 0.000 0.459 139 T N 2.469 116.907 114.554 -0.193 0.000 2.863 139 T HA 0.667 5.011 4.350 -0.009 0.000 0.285 139 T C -0.698 173.934 174.700 -0.113 0.000 1.009 139 T CA -1.020 61.001 62.100 -0.131 0.000 0.989 139 T CB 1.955 70.756 68.868 -0.111 0.000 1.004 139 T HN 0.503 nan 8.240 nan 0.000 0.455 140 K N 1.269 121.619 120.400 -0.082 0.000 2.156 140 K HA 0.766 5.081 4.320 -0.009 0.000 0.250 140 K C -0.451 176.122 176.600 -0.046 0.000 0.955 140 K CA -0.836 55.414 56.287 -0.062 0.000 0.855 140 K CB 2.025 34.492 32.500 -0.055 0.000 1.101 140 K HN 0.678 nan 8.250 nan 0.000 0.434 141 S N -0.450 115.230 115.700 -0.035 0.000 2.638 141 S HA 0.430 4.895 4.470 -0.009 0.000 0.274 141 S C -0.688 173.899 174.600 -0.021 0.000 1.157 141 S CA -0.555 57.629 58.200 -0.027 0.000 0.826 141 S CB 1.519 64.704 63.200 -0.024 0.000 1.139 141 S HN 0.687 nan 8.310 nan 0.000 0.474 142 T N -0.349 114.194 114.554 -0.019 0.000 3.393 142 T HA 0.551 4.895 4.350 -0.009 0.000 0.298 142 T C 0.220 174.912 174.700 -0.013 0.000 1.004 142 T CA 0.203 62.294 62.100 -0.016 0.000 0.956 142 T CB 0.006 68.864 68.868 -0.017 0.000 1.182 142 T HN 0.942 nan 8.240 nan 0.000 0.497 143 A N 0.817 123.630 122.820 -0.012 0.000 2.505 143 A HA 0.568 4.882 4.320 -0.009 0.000 0.271 143 A C 1.636 179.215 177.584 -0.008 0.000 1.112 143 A CA 0.510 52.541 52.037 -0.009 0.000 0.781 143 A CB -1.164 17.832 19.000 -0.008 0.000 1.059 143 A HN 1.697 nan 8.150 nan 0.000 0.508 144 G N 1.227 110.022 108.800 -0.008 0.000 2.175 144 G HA2 0.222 4.177 3.960 -0.009 0.000 0.182 144 G HA3 0.222 4.177 3.960 -0.009 0.000 0.182 144 G C 1.464 176.358 174.900 -0.010 0.000 1.003 144 G CA 0.666 45.761 45.100 -0.008 0.000 0.666 144 G HN 2.607 nan 8.290 nan 0.000 0.506 145 G N -0.585 108.209 108.800 -0.011 0.000 2.168 145 G HA2 -0.130 3.825 3.960 -0.009 0.000 0.263 145 G HA3 -0.130 3.825 3.960 -0.009 0.000 0.263 145 G C 0.180 175.072 174.900 -0.014 0.000 0.977 145 G CA 1.582 46.675 45.100 -0.012 0.000 0.659 145 G HN 1.770 nan 8.290 nan 0.000 0.533 146 K N -0.159 120.233 120.400 -0.015 0.000 2.422 146 K HA 0.763 5.078 4.320 -0.009 0.000 0.251 146 K C -0.011 176.578 176.600 -0.020 0.000 0.933 146 K CA -1.497 54.779 56.287 -0.018 0.000 0.798 146 K CB 2.073 34.561 32.500 -0.019 0.000 1.238 146 K HN -0.070 nan 8.250 nan 0.000 0.428 147 I N 2.952 123.508 120.570 -0.024 0.000 2.683 147 I HA 0.015 4.179 4.170 -0.009 0.000 0.286 147 I C 0.590 176.694 176.117 -0.021 0.000 1.175 147 I CA 0.568 61.852 61.300 -0.026 0.000 1.429 147 I CB -0.230 37.750 38.000 -0.033 0.000 1.371 147 I HN 0.929 nan 8.210 nan 0.000 0.569 148 T N 2.703 117.250 114.554 -0.013 0.000 2.901 148 T HA 0.932 5.276 4.350 -0.009 0.000 0.293 148 T C -0.598 174.107 174.700 0.008 0.000 1.084 148 T CA -0.866 61.239 62.100 0.008 0.000 1.008 148 T CB 2.432 71.308 68.868 0.013 0.000 1.170 148 T HN 0.802 nan 8.240 nan 0.000 0.509 149 A N 0.973 123.824 122.820 0.053 0.000 2.556 149 A HA 0.946 5.260 4.320 -0.009 0.000 0.294 149 A C -0.335 177.241 177.584 -0.014 0.000 1.091 149 A CA -0.617 51.413 52.037 -0.011 0.000 0.704 149 A CB 1.567 20.547 19.000 -0.033 0.000 1.300 149 A HN 1.840 nan 8.150 nan 0.000 0.406 150 S N -0.033 115.550 115.700 -0.196 0.000 2.588 150 S HA 0.851 5.315 4.470 -0.009 0.000 0.275 150 S C -1.086 173.256 174.600 -0.430 0.000 1.130 150 S CA -0.596 57.459 58.200 -0.242 0.000 0.855 150 S CB 1.240 64.399 63.200 -0.068 0.000 1.116 150 S HN 0.765 nan 8.310 nan 0.000 0.472 151 I N 1.268 121.577 120.570 -0.435 0.000 2.478 151 I HA 0.461 4.626 4.170 -0.009 0.000 0.287 151 I C -0.979 174.924 176.117 -0.356 0.000 1.042 151 I CA -0.702 60.310 61.300 -0.481 0.000 1.067 151 I CB 2.243 39.918 38.000 -0.542 0.000 1.233 151 I HN 0.580 nan 8.210 nan 0.000 0.431 152 K N 6.181 126.344 120.400 -0.396 0.000 2.240 152 K HA 0.359 4.673 4.320 -0.009 0.000 0.271 152 K C -1.756 174.626 176.600 -0.363 0.000 1.018 152 K CA -0.234 55.912 56.287 -0.235 0.000 0.874 152 K CB 0.586 32.999 32.500 -0.146 0.000 1.098 152 K HN 0.338 nan 8.250 nan 0.000 0.458 153 W N 3.183 124.468 121.300 -0.025 0.000 2.338 153 W HA 0.446 5.100 4.660 -0.010 0.000 0.307 153 W C 1.022 177.529 176.519 -0.020 0.000 1.167 153 W CA -0.606 56.726 57.345 -0.021 0.000 1.208 153 W CB 1.524 30.984 29.460 0.001 0.000 1.228 153 W HN 0.779 nan 8.180 nan 0.000 0.499 154 G N 1.604 110.509 108.800 0.175 0.000 2.572 154 G HA2 0.312 4.266 3.960 -0.009 0.000 0.261 154 G HA3 0.312 4.266 3.960 -0.009 0.000 0.261 154 G C -0.268 174.714 174.900 0.137 0.000 1.197 154 G CA -0.677 44.491 45.100 0.113 0.000 0.870 154 G HN 0.401 nan 8.290 nan 0.000 0.548 155 S N 1.283 117.033 115.700 0.084 0.000 2.572 155 S HA 0.308 4.773 4.470 -0.009 0.000 0.279 155 S C -1.969 172.667 174.600 0.061 0.000 1.341 155 S CA -0.499 57.737 58.200 0.060 0.000 1.043 155 S CB 1.046 64.267 63.200 0.034 0.000 0.887 155 S HN 0.419 nan 8.310 nan 0.000 0.516 156 P HA 0.322 nan 4.420 nan 0.000 0.275 156 P C -1.205 176.104 177.300 0.015 0.000 1.228 156 P CA -0.412 62.701 63.100 0.023 0.000 0.786 156 P CB 0.486 32.168 31.700 -0.031 0.000 0.927 157 V N 1.571 121.506 119.914 0.034 0.000 2.555 157 V HA 0.344 4.459 4.120 -0.009 0.000 0.302 157 V C 0.310 176.408 176.094 0.007 0.000 1.038 157 V CA -0.613 61.714 62.300 0.045 0.000 0.887 157 V CB 1.842 33.737 31.823 0.120 0.000 0.991 157 V HN 0.591 nan 8.190 nan 0.000 0.434 158 S N 3.970 119.652 115.700 -0.030 0.000 2.528 158 S HA 0.383 4.847 4.470 -0.009 0.000 0.277 158 S C 0.502 175.111 174.600 0.014 0.000 1.297 158 S CA -0.438 57.706 58.200 -0.093 0.000 1.052 158 S CB 0.281 63.396 63.200 -0.142 0.000 0.917 158 S HN 0.609 nan 8.310 nan 0.000 0.492 159 L N 4.982 126.219 121.223 0.024 0.000 2.700 159 L HA 0.266 4.600 4.340 -0.009 0.000 0.234 159 L C 2.146 179.184 176.870 0.280 0.000 1.156 159 L CA -0.087 54.943 54.840 0.317 0.000 0.946 159 L CB -0.240 42.034 42.059 0.359 0.000 1.216 159 L HN 0.731 nan 8.230 nan 0.000 0.493 160 K N 1.685 122.105 120.400 0.034 0.000 2.152 160 K HA -0.218 4.097 4.320 -0.009 0.000 0.206 160 K C 1.853 178.586 176.600 0.222 0.000 1.048 160 K CA 1.869 58.229 56.287 0.122 0.000 0.933 160 K CB 0.168 32.634 32.500 -0.057 0.000 0.721 160 K HN 0.552 nan 8.250 nan 0.000 0.447 161 E N -0.598 119.578 120.200 -0.040 0.000 2.333 161 E HA -0.187 4.158 4.350 -0.009 0.000 0.198 161 E C 0.964 177.484 176.600 -0.134 0.000 1.007 161 E CA 0.990 57.280 56.400 -0.183 0.000 0.845 161 E CB -0.301 29.130 29.700 -0.449 0.000 0.766 161 E HN 0.380 nan 8.360 nan 0.000 0.507 162 F N 0.059 120.271 119.950 0.436 0.000 2.732 162 F HA 0.212 4.735 4.527 -0.007 0.000 0.303 162 F C 0.377 176.615 175.800 0.730 0.000 1.110 162 F CA -0.602 57.713 58.000 0.526 0.000 1.355 162 F CB 0.329 39.678 39.000 0.582 0.000 1.081 162 F HN -0.037 nan 8.300 nan 0.000 0.565 163 F N 5.131 125.428 119.950 0.578 0.000 2.334 163 F HA 0.427 4.947 4.527 -0.011 0.000 0.367 163 F C -2.104 173.848 175.800 0.254 0.000 1.115 163 F CA -4.328 53.961 58.000 0.483 0.000 1.116 163 F CB 0.202 39.571 39.000 0.615 0.000 1.230 163 F HN -0.199 nan 8.300 nan 0.000 0.484 164 P HA 0.161 nan 4.420 nan 0.000 0.271 164 P C -0.077 177.014 177.300 -0.349 0.000 1.218 164 P CA -0.113 62.919 63.100 -0.113 0.000 0.780 164 P CB 1.320 32.959 31.700 -0.101 0.000 0.901 165 A N 2.593 125.305 122.820 -0.180 0.000 2.067 165 A HA -0.079 4.236 4.320 -0.009 0.000 0.219 165 A C 0.858 178.337 177.584 -0.175 0.000 1.158 165 A CA 1.206 53.147 52.037 -0.160 0.000 0.661 165 A CB -0.389 18.596 19.000 -0.025 0.000 0.801 165 A HN 0.701 nan 8.150 nan 0.000 0.452 166 E N -1.536 118.547 120.200 -0.195 0.000 2.317 166 E HA 0.666 5.010 4.350 -0.009 0.000 0.270 166 E C -1.266 175.202 176.600 -0.220 0.000 0.885 166 E CA -0.485 55.775 56.400 -0.233 0.000 0.760 166 E CB 1.933 31.486 29.700 -0.245 0.000 1.227 166 E HN 0.315 nan 8.360 nan 0.000 0.434 167 M N 1.530 121.000 119.600 -0.217 0.000 2.591 167 M HA 0.241 4.716 4.480 -0.009 0.000 0.306 167 M C 0.256 176.447 176.300 -0.181 0.000 1.190 167 M CA -0.741 54.453 55.300 -0.177 0.000 0.889 167 M CB 1.843 34.348 32.600 -0.158 0.000 1.728 167 M HN 0.396 nan 8.290 nan 0.000 0.458 168 E N 1.452 121.563 120.200 -0.149 0.000 2.592 168 E HA -0.247 4.098 4.350 -0.009 0.000 0.223 168 E C 1.240 177.752 176.600 -0.147 0.000 0.839 168 E CA 2.478 58.799 56.400 -0.132 0.000 1.008 168 E CB -1.076 28.549 29.700 -0.125 0.000 1.096 168 E HN 0.987 nan 8.360 nan 0.000 0.512 169 G N 0.624 109.344 108.800 -0.133 0.000 3.530 169 G HA2 0.371 4.325 3.960 -0.009 0.000 0.269 169 G HA3 0.371 4.325 3.960 -0.009 0.000 0.269 169 G C 0.058 174.880 174.900 -0.131 0.000 1.314 169 G CA 0.393 45.424 45.100 -0.115 0.000 1.441 169 G HN 0.244 nan 8.290 nan 0.000 0.595 170 M N -1.811 117.666 119.600 -0.206 0.000 2.773 170 M HA 0.472 4.947 4.480 -0.009 0.000 0.270 170 M C -1.979 174.124 176.300 -0.328 0.000 1.238 170 M CA -0.987 54.203 55.300 -0.183 0.000 0.832 170 M CB 1.778 34.321 32.600 -0.096 0.000 1.672 170 M HN -0.070 nan 8.290 nan 0.000 0.480 171 H N 1.463 120.501 119.070 -0.053 0.000 2.466 171 H HA 0.406 4.958 4.556 -0.008 0.000 0.338 171 H C -0.430 174.862 175.328 -0.061 0.000 1.091 171 H CA -0.144 55.864 56.048 -0.068 0.000 1.207 171 H CB 1.905 31.637 29.762 -0.051 0.000 1.466 171 H HN 0.848 nan 8.280 nan 0.000 0.493 172 T N 0.065 114.584 114.554 -0.058 0.000 2.860 172 T HA 0.017 4.362 4.350 -0.009 0.000 0.299 172 T C 0.893 175.595 174.700 0.002 0.000 1.045 172 T CA -0.441 61.595 62.100 -0.107 0.000 1.071 172 T CB 1.703 70.173 68.868 -0.664 0.000 0.985 172 T HN 0.550 nan 8.240 nan 0.000 0.537 173 N N 0.734 119.507 118.700 0.122 0.000 3.251 173 N HA 0.155 4.890 4.740 -0.009 0.000 0.227 173 N C -0.185 175.328 175.510 0.005 0.000 1.084 173 N CA 0.248 53.346 53.050 0.080 0.000 1.167 173 N CB 0.674 39.184 38.487 0.039 0.000 1.548 173 N HN 0.820 nan 8.380 nan 0.000 0.592 174 Q N -1.061 118.657 119.800 -0.136 0.000 2.553 174 Q HA 0.488 4.823 4.340 -0.009 0.000 0.293 174 Q C -1.505 174.229 176.000 -0.443 0.000 1.038 174 Q CA -0.922 54.314 55.803 -0.944 0.000 0.777 174 Q CB 2.898 31.088 28.738 -0.913 0.000 1.487 174 Q HN 0.329 nan 8.270 nan 0.000 0.426 175 F N -1.164 118.237 119.950 -0.915 0.000 2.645 175 F HA 0.838 5.361 4.527 -0.007 0.000 0.310 175 F C -2.109 173.500 175.800 -0.319 0.000 1.102 175 F CA -1.015 56.733 58.000 -0.420 0.000 0.952 175 F CB 1.307 40.041 39.000 -0.443 0.000 1.326 175 F HN 0.382 nan 8.300 nan 0.000 0.456 176 L N 1.454 122.469 121.223 -0.347 0.000 2.409 176 L HA 0.750 5.084 4.340 -0.009 0.000 0.255 176 L C 0.410 177.141 176.870 -0.231 0.000 1.027 176 L CA -1.266 53.286 54.840 -0.481 0.000 0.834 176 L CB 2.130 43.760 42.059 -0.715 0.000 1.426 176 L HN 1.061 nan 8.230 nan 0.000 0.411 177 G N -0.493 108.142 108.800 -0.275 0.000 2.667 177 G HA2 0.314 4.268 3.960 -0.009 0.000 0.250 177 G HA3 0.314 4.268 3.960 -0.009 0.000 0.250 177 G C 0.858 175.729 174.900 -0.049 0.000 1.212 177 G CA 0.214 45.228 45.100 -0.142 0.000 0.874 177 G HN 0.868 nan 8.290 nan 0.000 0.561 178 G N -1.000 107.839 108.800 0.065 0.000 2.920 178 G HA2 0.524 4.479 3.960 -0.009 0.000 0.208 178 G HA3 0.524 4.479 3.960 -0.009 0.000 0.208 178 G C 0.877 175.795 174.900 0.030 0.000 1.159 178 G CA 1.224 46.372 45.100 0.081 0.000 0.784 178 G HN 2.115 nan 8.290 nan 0.000 0.535 179 A N -2.423 120.401 122.820 0.008 0.000 3.682 179 A HA 0.455 4.770 4.320 -0.009 0.000 0.628 179 A C 1.413 179.023 177.584 0.042 0.000 0.718 179 A CA 0.683 52.712 52.037 -0.012 0.000 0.282 179 A CB -1.123 17.826 19.000 -0.084 0.000 3.621 179 A HN 2.434 nan 8.150 nan 0.000 0.523 180 G N -2.117 106.707 108.800 0.039 0.000 2.528 180 G HA2 0.234 4.189 3.960 -0.009 0.000 0.262 180 G HA3 0.234 4.189 3.960 -0.009 0.000 0.262 180 G C 0.256 175.238 174.900 0.137 0.000 1.200 180 G CA 0.590 45.737 45.100 0.078 0.000 0.951 180 G HN 2.353 nan 8.290 nan 0.000 0.566 181 V N 1.066 121.072 119.914 0.154 0.000 2.459 181 V HA 0.763 4.878 4.120 -0.009 0.000 0.295 181 V C 0.959 177.161 176.094 0.181 0.000 1.029 181 V CA 0.333 62.738 62.300 0.175 0.000 0.874 181 V CB 0.754 32.673 31.823 0.160 0.000 0.985 181 V HN 1.843 nan 8.190 nan 0.000 0.438 182 A N 5.456 128.386 122.820 0.183 0.000 3.158 182 A HA 1.011 5.326 4.320 -0.009 0.000 0.217 182 A C -0.318 177.298 177.584 0.053 0.000 1.469 182 A CA -0.564 51.553 52.037 0.133 0.000 0.885 182 A CB 1.062 20.147 19.000 0.142 0.000 1.662 182 A HN 1.057 nan 8.150 nan 0.000 0.512 183 I N -3.624 116.937 120.570 -0.016 0.000 3.191 183 I HA 0.724 4.889 4.170 -0.009 0.000 0.313 183 I C -1.393 174.682 176.117 -0.069 0.000 1.193 183 I CA -1.142 60.149 61.300 -0.015 0.000 0.968 183 I CB 1.992 39.998 38.000 0.010 0.000 1.262 183 I HN 0.256 nan 8.210 nan 0.000 0.456 184 V N 2.979 122.864 119.914 -0.047 0.000 2.370 184 V HA 0.680 4.794 4.120 -0.009 0.000 0.279 184 V C 0.830 176.892 176.094 -0.053 0.000 1.029 184 V CA -0.301 61.957 62.300 -0.070 0.000 0.870 184 V CB 1.009 32.801 31.823 -0.052 0.000 0.984 184 V HN 0.938 nan 8.190 nan 0.000 0.451 185 A N 3.760 126.539 122.820 -0.070 0.000 2.327 185 A HA 0.416 4.730 4.320 -0.009 0.000 0.255 185 A C 1.542 179.090 177.584 -0.059 0.000 1.099 185 A CA 0.346 52.345 52.037 -0.063 0.000 0.801 185 A CB 0.292 19.241 19.000 -0.086 0.000 1.062 185 A HN 1.191 nan 8.150 nan 0.000 0.496 186 S N 0.204 115.871 115.700 -0.055 0.000 2.507 186 S HA -0.156 4.308 4.470 -0.009 0.000 0.235 186 S C 0.956 175.523 174.600 -0.055 0.000 0.988 186 S CA 1.186 59.356 58.200 -0.051 0.000 0.944 186 S CB -0.533 62.636 63.200 -0.052 0.000 0.762 186 S HN 0.896 nan 8.310 nan 0.000 0.526 187 N N 0.935 119.596 118.700 -0.065 0.000 2.322 187 N HA 0.249 4.984 4.740 -0.009 0.000 0.194 187 N C 1.216 176.684 175.510 -0.070 0.000 1.126 187 N CA 0.590 53.601 53.050 -0.065 0.000 0.845 187 N CB -0.322 38.123 38.487 -0.070 0.000 0.976 187 N HN 0.557 nan 8.380 nan 0.000 0.475 188 G N -0.290 108.466 108.800 -0.073 0.000 2.195 188 G HA2 -0.295 3.659 3.960 -0.009 0.000 0.246 188 G HA3 -0.295 3.659 3.960 -0.009 0.000 0.246 188 G C -0.279 174.551 174.900 -0.117 0.000 0.984 188 G CA -0.081 44.969 45.100 -0.084 0.000 0.633 188 G HN 0.477 nan 8.290 nan 0.000 0.525 189 N N 0.654 119.284 118.700 -0.117 0.000 2.492 189 N HA 0.411 5.145 4.740 -0.009 0.000 0.260 189 N C 0.713 176.120 175.510 -0.171 0.000 1.215 189 N CA 0.043 53.008 53.050 -0.142 0.000 0.923 189 N CB 0.537 38.970 38.487 -0.090 0.000 1.092 189 N HN 0.385 nan 8.380 nan 0.000 0.448 190 L N 1.449 122.513 121.223 -0.266 0.000 2.360 190 L HA 0.284 4.618 4.340 -0.009 0.000 0.276 190 L C -0.239 176.555 176.870 -0.127 0.000 1.121 190 L CA -0.482 54.190 54.840 -0.279 0.000 0.845 190 L CB 0.553 42.355 42.059 -0.429 0.000 1.143 190 L HN 0.089 nan 8.230 nan 0.000 0.452 191 V N 4.285 124.130 119.914 -0.115 0.000 2.443 191 V HA 0.331 4.446 4.120 -0.009 0.000 0.293 191 V C -0.854 175.250 176.094 0.016 0.000 1.021 191 V CA -0.559 61.760 62.300 0.031 0.000 0.848 191 V CB 1.385 33.216 31.823 0.013 0.000 0.998 191 V HN 0.428 nan 8.190 nan 0.000 0.424 192 Y N 6.389 126.877 120.300 0.313 0.000 2.328 192 Y HA 0.476 5.022 4.550 -0.008 0.000 0.337 192 Y C -2.117 173.963 175.900 0.299 0.000 0.966 192 Y CA -2.664 55.608 58.100 0.287 0.000 1.136 192 Y CB 2.480 41.133 38.460 0.322 0.000 1.170 192 Y HN 0.438 nan 8.280 nan 0.000 0.470 193 P HA 0.127 nan 4.420 nan 0.000 0.281 193 P C -0.955 176.560 177.300 0.357 0.000 1.252 193 P CA -0.096 63.232 63.100 0.380 0.000 0.778 193 P CB 1.333 33.224 31.700 0.318 0.000 0.895 194 V N 1.233 121.355 119.914 0.347 0.000 2.914 194 V HA 0.619 4.734 4.120 -0.009 0.000 0.314 194 V C -0.416 175.807 176.094 0.216 0.000 1.084 194 V CA -1.146 61.309 62.300 0.259 0.000 0.963 194 V CB 1.789 33.772 31.823 0.267 0.000 1.025 194 V HN 0.563 nan 8.190 nan 0.000 0.432 195 Q N 1.885 121.784 119.800 0.165 0.000 2.271 195 Q HA 0.844 5.179 4.340 -0.009 0.000 0.258 195 Q C -1.257 174.837 176.000 0.157 0.000 0.936 195 Q CA -0.779 55.118 55.803 0.157 0.000 0.909 195 Q CB 2.104 30.996 28.738 0.258 0.000 1.253 195 Q HN 0.624 nan 8.270 nan 0.000 0.440 196 V N 1.682 121.506 119.914 -0.151 0.000 2.823 196 V HA 0.589 4.704 4.120 -0.009 0.000 0.312 196 V C -0.095 175.746 176.094 -0.421 0.000 1.072 196 V CA -0.705 61.414 62.300 -0.300 0.000 0.937 196 V CB 2.098 33.443 31.823 -0.796 0.000 1.013 196 V HN 1.031 nan 8.190 nan 0.000 0.430 197 T N 0.354 114.853 114.554 -0.092 0.000 2.932 197 T HA 0.694 5.038 4.350 -0.009 0.000 0.289 197 T C -0.485 174.312 174.700 0.162 0.000 1.039 197 T CA -0.853 61.220 62.100 -0.044 0.000 1.024 197 T CB 1.974 70.723 68.868 -0.199 0.000 1.090 197 T HN 0.786 nan 8.240 nan 0.000 0.496 198 N N 0.203 119.036 118.700 0.222 0.000 2.741 198 N HA 0.405 5.139 4.740 -0.009 0.000 0.310 198 N C 0.526 176.075 175.510 0.065 0.000 1.295 198 N CA -1.211 51.949 53.050 0.183 0.000 0.893 198 N CB 0.580 39.189 38.487 0.203 0.000 1.247 198 N HN 0.341 nan 8.380 nan 0.000 0.596 199 K N -0.063 120.372 120.400 0.059 0.000 2.439 199 K HA 0.046 4.360 4.320 -0.009 0.000 0.197 199 K C 0.494 177.089 176.600 -0.008 0.000 1.041 199 K CA 0.652 56.954 56.287 0.025 0.000 0.970 199 K CB -0.139 32.377 32.500 0.027 0.000 0.773 199 K HN 0.579 nan 8.250 nan 0.000 0.479 200 K N 0.588 120.971 120.400 -0.029 0.000 2.444 200 K HA 0.046 4.361 4.320 -0.009 0.000 0.193 200 K C 0.021 176.572 176.600 -0.081 0.000 1.024 200 K CA 0.073 56.318 56.287 -0.069 0.000 1.077 200 K CB 0.215 32.641 32.500 -0.123 0.000 0.833 200 K HN 0.031 nan 8.250 nan 0.000 0.517 201 K N 0.234 120.595 120.400 -0.065 0.000 3.391 201 K HA -0.208 4.106 4.320 -0.009 0.000 0.307 201 K C -0.649 175.890 176.600 -0.102 0.000 1.304 201 K CA 0.685 56.918 56.287 -0.090 0.000 0.904 201 K CB -1.603 30.850 32.500 -0.080 0.000 1.293 201 K HN 0.343 nan 8.250 nan 0.000 0.470 202 Q N 0.690 120.432 119.800 -0.097 0.000 2.354 202 Q HA 0.449 4.784 4.340 -0.009 0.000 0.244 202 Q C -0.148 175.923 176.000 0.118 0.000 0.969 202 Q CA -0.267 55.490 55.803 -0.076 0.000 0.885 202 Q CB 1.966 30.465 28.738 -0.397 0.000 1.241 202 Q HN 0.118 nan 8.270 nan 0.000 0.461 203 V N 3.335 123.368 119.914 0.197 0.000 2.667 203 V HA 0.777 4.891 4.120 -0.009 0.000 0.308 203 V C -1.375 174.995 176.094 0.461 0.000 1.048 203 V CA -0.427 61.984 62.300 0.186 0.000 0.928 203 V CB 0.998 32.849 31.823 0.047 0.000 1.004 203 V HN 0.708 nan 8.190 nan 0.000 0.444 204 F N 2.251 122.312 119.950 0.184 0.000 2.713 204 F HA 0.805 5.326 4.527 -0.011 0.000 0.311 204 F C -0.613 175.221 175.800 0.057 0.000 1.141 204 F CA -0.818 57.225 58.000 0.071 0.000 0.939 204 F CB 1.351 40.316 39.000 -0.058 0.000 1.325 204 F HN 0.290 nan 8.300 nan 0.000 0.453 205 S N 1.474 117.215 115.700 0.068 0.000 2.549 205 S HA 0.734 5.199 4.470 -0.009 0.000 0.297 205 S C -0.854 173.778 174.600 0.053 0.000 1.115 205 S CA -0.909 57.350 58.200 0.100 0.000 1.059 205 S CB 1.593 64.950 63.200 0.263 0.000 1.046 205 S HN 0.474 nan 8.310 nan 0.000 0.506 206 K N 1.046 121.648 120.400 0.337 0.000 2.495 206 K HA 0.523 4.837 4.320 -0.009 0.000 0.268 206 K C -1.282 175.748 176.600 0.716 0.000 1.008 206 K CA -0.779 55.831 56.287 0.539 0.000 0.882 206 K CB 1.323 34.152 32.500 0.548 0.000 1.443 206 K HN 0.364 nan 8.250 nan 0.000 0.447 207 I N 1.653 122.673 120.570 0.749 0.000 2.359 207 I HA 0.368 4.532 4.170 -0.009 0.000 0.294 207 I C -0.485 175.964 176.117 0.554 0.000 0.987 207 I CA -0.633 60.995 61.300 0.546 0.000 1.225 207 I CB 0.489 38.719 38.000 0.383 0.000 1.366 207 I HN 0.480 nan 8.210 nan 0.000 0.466 208 F N 9.227 129.332 119.950 0.258 0.000 2.499 208 F HA 0.544 5.066 4.527 -0.008 0.000 0.333 208 F C -1.074 174.968 175.800 0.403 0.000 1.138 208 F CA -0.618 57.377 58.000 -0.009 0.000 0.945 208 F CB 0.940 39.782 39.000 -0.264 0.000 1.181 208 F HN 0.435 nan 8.300 nan 0.000 0.435 209 Y N 2.322 122.561 120.300 -0.102 0.000 2.609 209 Y HA 0.777 5.325 4.550 -0.002 0.000 0.342 209 Y C -1.378 174.194 175.900 -0.547 0.000 1.058 209 Y CA -1.693 56.338 58.100 -0.115 0.000 1.055 209 Y CB 1.456 39.853 38.460 -0.104 0.000 1.292 209 Y HN 0.379 nan 8.280 nan 0.000 0.476 210 S N 0.089 115.308 115.700 -0.802 0.000 2.538 210 S HA 0.400 4.865 4.470 -0.009 0.000 0.288 210 S C -0.560 173.692 174.600 -0.581 0.000 1.108 210 S CA -0.637 56.861 58.200 -1.170 0.000 0.971 210 S CB 1.340 63.282 63.200 -2.097 0.000 1.041 210 S HN 0.844 nan 8.310 nan 0.000 0.483 211 E N 1.597 121.528 120.200 -0.448 0.000 2.481 211 E HA 0.089 4.433 4.350 -0.009 0.000 0.198 211 E C -0.573 175.874 176.600 -0.255 0.000 1.027 211 E CA 0.126 56.379 56.400 -0.245 0.000 0.900 211 E CB 0.301 29.918 29.700 -0.139 0.000 0.993 211 E HN 0.705 nan 8.360 nan 0.000 0.482 212 D N 0.031 120.223 120.400 -0.347 0.000 2.895 212 D HA 0.031 4.666 4.640 -0.009 0.000 0.350 212 D C -0.389 175.766 176.300 -0.241 0.000 1.389 212 D CA -0.382 53.470 54.000 -0.246 0.000 0.812 212 D CB 0.064 40.740 40.800 -0.207 0.000 1.164 212 D HN -0.185 nan 8.370 nan 0.000 0.455 213 E N -0.294 119.736 120.200 -0.284 0.000 2.868 213 E HA -0.182 4.163 4.350 -0.009 0.000 0.278 213 E C 1.150 177.644 176.600 -0.177 0.000 1.009 213 E CA 1.038 57.314 56.400 -0.206 0.000 0.856 213 E CB -2.116 27.566 29.700 -0.029 0.000 1.428 213 E HN 0.893 nan 8.360 nan 0.000 0.423 214 G N -0.609 107.936 108.800 -0.425 0.000 2.176 214 G HA2 -0.350 3.605 3.960 -0.009 0.000 0.232 214 G HA3 -0.350 3.605 3.960 -0.009 0.000 0.232 214 G C 0.972 175.872 174.900 -0.000 0.000 0.986 214 G CA 0.505 45.489 45.100 -0.194 0.000 0.643 214 G HN 0.181 nan 8.290 nan 0.000 0.522 215 K N 0.586 120.898 120.400 -0.146 0.000 2.062 215 K HA 0.099 4.413 4.320 -0.009 0.000 0.205 215 K C 1.565 178.123 176.600 -0.070 0.000 1.051 215 K CA 1.828 58.112 56.287 -0.005 0.000 0.941 215 K CB -0.524 31.972 32.500 -0.007 0.000 0.719 215 K HN 0.896 nan 8.250 nan 0.000 0.440 216 T N -2.654 111.617 114.554 -0.472 0.000 2.916 216 T HA 0.605 4.949 4.350 -0.009 0.000 0.292 216 T C -1.142 172.742 174.700 -1.360 0.000 1.055 216 T CA -0.944 60.648 62.100 -0.847 0.000 1.009 216 T CB 1.591 70.226 68.868 -0.388 0.000 1.118 216 T HN 0.107 nan 8.240 nan 0.000 0.497 217 W N 0.374 120.763 121.300 -1.517 0.000 2.936 217 W HA 0.706 5.362 4.660 -0.008 0.000 0.338 217 W C -0.280 175.757 176.519 -0.803 0.000 1.121 217 W CA -0.806 55.832 57.345 -1.179 0.000 1.209 217 W CB 2.245 30.891 29.460 -1.356 0.000 1.420 217 W HN 0.644 nan 8.180 nan 0.000 0.516 218 K N 1.409 121.400 120.400 -0.682 0.000 2.443 218 K HA 0.623 4.937 4.320 -0.009 0.000 0.251 218 K C -1.527 174.888 176.600 -0.310 0.000 0.972 218 K CA -1.095 54.950 56.287 -0.404 0.000 0.833 218 K CB 2.288 34.382 32.500 -0.677 0.000 1.317 218 K HN 0.204 nan 8.250 nan 0.000 0.441 219 F N 0.410 120.453 119.950 0.156 0.000 2.421 219 F HA 0.327 4.848 4.527 -0.011 0.000 0.337 219 F C 1.185 177.208 175.800 0.372 0.000 1.105 219 F CA -0.257 57.944 58.000 0.334 0.000 1.049 219 F CB 1.573 40.755 39.000 0.303 0.000 1.139 219 F HN 0.588 nan 8.300 nan 0.000 0.479 220 G N 2.567 111.766 108.800 0.665 0.000 2.491 220 G HA2 0.078 4.033 3.960 -0.009 0.000 0.238 220 G HA3 0.078 4.033 3.960 -0.009 0.000 0.238 220 G C 0.632 175.789 174.900 0.430 0.000 1.277 220 G CA -0.436 44.982 45.100 0.530 0.000 0.851 220 G HN 0.799 nan 8.290 nan 0.000 0.573 221 K N 1.221 121.804 120.400 0.306 0.000 2.103 221 K HA -0.039 4.276 4.320 -0.009 0.000 0.207 221 K C 1.846 178.519 176.600 0.123 0.000 1.048 221 K CA 1.089 57.490 56.287 0.191 0.000 0.930 221 K CB -0.060 32.527 32.500 0.145 0.000 0.716 221 K HN 0.539 nan 8.250 nan 0.000 0.444 222 G N 0.767 109.675 108.800 0.181 0.000 2.557 222 G HA2 0.412 4.367 3.960 -0.009 0.000 0.292 222 G HA3 0.412 4.367 3.960 -0.009 0.000 0.292 222 G C -0.619 174.001 174.900 -0.466 0.000 1.237 222 G CA -0.564 44.521 45.100 -0.026 0.000 0.978 222 G HN 0.310 nan 8.290 nan 0.000 0.498 223 R N -2.055 117.780 120.500 -1.109 0.000 2.733 223 R HA 0.608 4.943 4.340 -0.009 0.000 0.272 223 R C -0.124 175.120 176.300 -1.760 0.000 1.029 223 R CA -0.487 54.733 56.100 -1.467 0.000 0.888 223 R CB 0.708 30.620 30.300 -0.647 0.000 1.251 223 R HN 0.719 nan 8.270 nan 0.000 0.464 224 S N 0.741 115.470 115.700 -1.618 0.000 2.641 224 S HA 0.583 5.048 4.470 -0.009 0.000 0.261 224 S C 0.695 174.951 174.600 -0.575 0.000 1.257 224 S CA -0.365 57.183 58.200 -1.087 0.000 0.983 224 S CB 0.699 63.567 63.200 -0.554 0.000 0.990 224 S HN 0.862 nan 8.310 nan 0.000 0.572 225 A N 0.088 122.777 122.820 -0.219 0.000 2.429 225 A HA 0.467 4.782 4.320 -0.009 0.000 0.242 225 A C -0.008 177.498 177.584 -0.130 0.000 1.088 225 A CA -0.497 51.446 52.037 -0.156 0.000 0.784 225 A CB -0.638 18.422 19.000 0.099 0.000 1.038 225 A HN 0.669 nan 8.150 nan 0.000 0.501 226 F N -0.073 119.907 119.950 0.049 0.000 2.459 226 F HA 0.426 4.949 4.527 -0.006 0.000 0.346 226 F C 1.678 177.547 175.800 0.114 0.000 1.128 226 F CA 1.393 59.450 58.000 0.095 0.000 1.268 226 F CB 0.785 39.816 39.000 0.051 0.000 1.161 226 F HN 0.891 nan 8.300 nan 0.000 0.583 227 G N 0.482 109.493 108.800 0.352 0.000 2.194 227 G HA2 -0.255 3.699 3.960 -0.009 0.000 0.236 227 G HA3 -0.255 3.699 3.960 -0.009 0.000 0.236 227 G C -0.445 174.585 174.900 0.218 0.000 0.987 227 G CA -0.402 44.843 45.100 0.241 0.000 0.635 227 G HN 0.726 nan 8.290 nan 0.000 0.520 228 C N 2.848 122.285 119.300 0.229 0.000 2.303 228 C HA 0.787 5.242 4.460 -0.009 0.000 0.341 228 C C 1.044 176.162 174.990 0.213 0.000 1.244 228 C CA 0.120 59.272 59.018 0.224 0.000 1.765 228 C CB -0.018 27.873 27.740 0.252 0.000 2.379 228 C HN 0.882 nan 8.230 nan 0.000 0.530 229 S N 1.184 117.009 115.700 0.208 0.000 2.806 229 S HA 0.596 5.061 4.470 -0.009 0.000 0.315 229 S C -0.394 174.326 174.600 0.199 0.000 1.127 229 S CA -0.657 57.672 58.200 0.214 0.000 0.918 229 S CB 0.410 63.749 63.200 0.232 0.000 1.240 229 S HN 0.739 nan 8.310 nan 0.000 0.552 230 E N 1.289 121.600 120.200 0.186 0.000 2.103 230 E HA -0.134 4.210 4.350 -0.009 0.000 0.186 230 E C -2.243 174.444 176.600 0.146 0.000 1.392 230 E CA 0.385 56.859 56.400 0.124 0.000 0.691 230 E CB -1.427 28.303 29.700 0.049 0.000 1.068 230 E HN 0.498 nan 8.360 nan 0.000 0.328 231 P HA 0.124 nan 4.420 nan 0.000 0.275 231 P C -0.458 176.978 177.300 0.227 0.000 1.228 231 P CA -0.051 63.192 63.100 0.239 0.000 0.786 231 P CB 1.611 33.495 31.700 0.306 0.000 0.927 232 V N 1.719 121.782 119.914 0.249 0.000 2.709 232 V HA 0.767 4.882 4.120 -0.009 0.000 0.308 232 V C -1.046 175.277 176.094 0.382 0.000 1.062 232 V CA -0.707 61.765 62.300 0.287 0.000 0.901 232 V CB 1.651 33.640 31.823 0.276 0.000 1.003 232 V HN 0.854 nan 8.190 nan 0.000 0.425 233 A N 6.020 129.044 122.820 0.339 0.000 2.469 233 A HA 1.025 5.339 4.320 -0.009 0.000 0.299 233 A C -1.298 176.404 177.584 0.196 0.000 1.098 233 A CA -0.576 51.647 52.037 0.310 0.000 0.737 233 A CB 1.862 20.979 19.000 0.194 0.000 1.312 233 A HN 1.751 nan 8.150 nan 0.000 0.414 234 L N -1.921 119.367 121.223 0.108 0.000 2.397 234 L HA 0.851 5.185 4.340 -0.009 0.000 0.251 234 L C -0.503 176.394 176.870 0.045 0.000 1.064 234 L CA -0.630 54.207 54.840 -0.006 0.000 0.859 234 L CB 1.514 43.444 42.059 -0.215 0.000 1.468 234 L HN 0.737 nan 8.230 nan 0.000 0.411 235 E N 0.551 120.785 120.200 0.058 0.000 2.183 235 E HA 0.347 4.692 4.350 -0.009 0.000 0.271 235 E C -2.098 174.611 176.600 0.183 0.000 0.919 235 E CA -0.729 55.721 56.400 0.084 0.000 0.781 235 E CB 1.662 31.376 29.700 0.024 0.000 1.140 235 E HN 0.694 nan 8.360 nan 0.000 0.402 236 W N 5.481 126.760 121.300 -0.035 0.000 2.968 236 W HA 0.192 4.846 4.660 -0.010 0.000 0.337 236 W C -0.967 175.543 176.519 -0.016 0.000 1.060 236 W CA -0.497 56.835 57.345 -0.021 0.000 1.240 236 W CB 0.972 30.428 29.460 -0.008 0.000 1.370 236 W HN 0.805 nan 8.180 nan 0.000 0.459 237 E N 3.430 123.392 120.200 -0.397 0.000 2.269 237 E HA -0.230 4.115 4.350 -0.009 0.000 0.223 237 E C 1.043 177.589 176.600 -0.090 0.000 1.244 237 E CA 1.180 57.408 56.400 -0.286 0.000 0.713 237 E CB -1.298 28.207 29.700 -0.325 0.000 1.178 237 E HN 0.992 nan 8.360 nan 0.000 0.370 238 G N -0.169 108.589 108.800 -0.071 0.000 2.179 238 G HA2 -0.363 3.592 3.960 -0.009 0.000 0.260 238 G HA3 -0.363 3.592 3.960 -0.009 0.000 0.260 238 G C 0.139 175.029 174.900 -0.017 0.000 0.977 238 G CA 0.952 46.026 45.100 -0.043 0.000 0.641 238 G HN 0.320 nan 8.290 nan 0.000 0.533 239 K N -0.531 119.884 120.400 0.026 0.000 2.328 239 K HA 0.738 5.053 4.320 -0.009 0.000 0.246 239 K C 0.150 176.771 176.600 0.034 0.000 0.955 239 K CA -1.017 55.284 56.287 0.023 0.000 0.817 239 K CB 1.900 34.434 32.500 0.056 0.000 1.208 239 K HN 0.092 nan 8.250 nan 0.000 0.432 240 L N 2.868 124.077 121.223 -0.023 0.000 2.349 240 L HA 0.371 4.705 4.340 -0.009 0.000 0.275 240 L C -0.247 176.629 176.870 0.011 0.000 1.115 240 L CA -0.358 54.470 54.840 -0.021 0.000 0.820 240 L CB 0.353 42.348 42.059 -0.107 0.000 1.135 240 L HN 0.400 nan 8.230 nan 0.000 0.445 241 I N 4.608 125.238 120.570 0.100 0.000 2.355 241 I HA 0.327 4.492 4.170 -0.009 0.000 0.288 241 I C -0.490 175.783 176.117 0.261 0.000 0.999 241 I CA -0.348 61.059 61.300 0.179 0.000 1.163 241 I CB 1.604 39.761 38.000 0.261 0.000 1.316 241 I HN 0.435 nan 8.210 nan 0.000 0.454 242 I N 6.582 127.256 120.570 0.174 0.000 2.355 242 I HA 0.273 4.438 4.170 -0.009 0.000 0.288 242 I C -0.022 176.244 176.117 0.248 0.000 0.999 242 I CA -0.270 61.151 61.300 0.201 0.000 1.163 242 I CB 1.021 39.034 38.000 0.022 0.000 1.316 242 I HN 0.464 nan 8.210 nan 0.000 0.454 243 N N 5.241 124.050 118.700 0.181 0.000 2.469 243 N HA 0.341 5.075 4.740 -0.009 0.000 0.253 243 N C -0.731 174.851 175.510 0.120 0.000 0.970 243 N CA -0.252 52.783 53.050 -0.025 0.000 0.940 243 N CB 1.342 39.490 38.487 -0.564 0.000 1.128 243 N HN 0.685 nan 8.380 nan 0.000 0.503 244 T N 0.294 114.952 114.554 0.172 0.000 2.918 244 T HA 0.453 4.797 4.350 -0.009 0.000 0.286 244 T C 0.224 175.035 174.700 0.185 0.000 1.026 244 T CA -0.972 61.262 62.100 0.224 0.000 1.031 244 T CB 1.760 70.820 68.868 0.320 0.000 1.046 244 T HN 0.482 nan 8.240 nan 0.000 0.479 245 R N 1.551 122.164 120.500 0.188 0.000 2.308 245 R HA 0.553 4.888 4.340 -0.009 0.000 0.305 245 R C -1.431 174.969 176.300 0.165 0.000 1.053 245 R CA -0.564 55.645 56.100 0.181 0.000 0.957 245 R CB 0.512 30.911 30.300 0.165 0.000 1.022 245 R HN 0.572 nan 8.270 nan 0.000 0.461 246 V N 4.874 124.870 119.914 0.136 0.000 2.380 246 V HA 0.137 4.251 4.120 -0.009 0.000 0.286 246 V C -0.717 175.420 176.094 0.072 0.000 1.015 246 V CA -1.013 61.361 62.300 0.122 0.000 0.834 246 V CB 1.346 33.239 31.823 0.117 0.000 1.009 246 V HN 0.826 nan 8.190 nan 0.000 0.428 247 D N 3.506 123.933 120.400 0.046 0.000 2.488 247 D HA 0.168 4.803 4.640 -0.009 0.000 0.238 247 D C 0.557 176.821 176.300 -0.061 0.000 1.138 247 D CA 0.742 54.641 54.000 -0.169 0.000 0.873 247 D CB 0.245 40.904 40.800 -0.235 0.000 1.183 247 D HN 0.673 nan 8.370 nan 0.000 0.458 248 Y N -0.693 119.612 120.300 0.010 0.000 4.668 248 Y HA -0.327 4.217 4.550 -0.009 0.000 0.234 248 Y C 0.829 176.734 175.900 0.009 0.000 1.056 248 Y CA 0.656 58.753 58.100 -0.006 0.000 2.025 248 Y CB -0.963 37.490 38.460 -0.011 0.000 1.613 248 Y HN 0.311 nan 8.280 nan 0.000 0.653 249 R N -0.327 120.232 120.500 0.098 0.000 2.795 249 R HA 0.547 4.881 4.340 -0.009 0.000 0.268 249 R C -0.232 176.080 176.300 0.020 0.000 1.041 249 R CA -1.280 54.860 56.100 0.066 0.000 0.927 249 R CB 1.014 31.362 30.300 0.079 0.000 1.235 249 R HN 0.103 nan 8.270 nan 0.000 0.463 250 R N 1.276 121.767 120.500 -0.015 0.000 2.594 250 R HA 0.233 4.567 4.340 -0.009 0.000 0.272 250 R C 0.177 176.443 176.300 -0.057 0.000 1.074 250 R CA -0.276 55.784 56.100 -0.067 0.000 1.105 250 R CB 0.510 30.729 30.300 -0.136 0.000 1.008 250 R HN 0.212 nan 8.270 nan 0.000 0.472 251 R N 2.098 122.561 120.500 -0.062 0.000 2.489 251 R HA 0.093 4.428 4.340 -0.009 0.000 0.287 251 R C -0.137 176.117 176.300 -0.077 0.000 1.053 251 R CA -0.005 56.083 56.100 -0.020 0.000 1.036 251 R CB 0.329 30.635 30.300 0.009 0.000 0.966 251 R HN 0.334 nan 8.270 nan 0.000 0.432 252 L N 3.419 124.625 121.223 -0.029 0.000 2.312 252 L HA 0.396 4.730 4.340 -0.009 0.000 0.281 252 L C -0.335 176.457 176.870 -0.130 0.000 1.070 252 L CA -0.744 54.019 54.840 -0.128 0.000 0.805 252 L CB 1.541 43.577 42.059 -0.037 0.000 1.174 252 L HN 0.296 nan 8.230 nan 0.000 0.434 253 V N 3.074 122.805 119.914 -0.304 0.000 2.604 253 V HA 0.470 4.585 4.120 -0.009 0.000 0.305 253 V C -0.952 174.950 176.094 -0.320 0.000 1.043 253 V CA -0.674 61.520 62.300 -0.177 0.000 0.888 253 V CB 1.825 33.554 31.823 -0.157 0.000 0.995 253 V HN 0.431 nan 8.190 nan 0.000 0.429 254 Y N 1.387 121.729 120.300 0.072 0.000 2.562 254 Y HA 0.639 5.182 4.550 -0.012 0.000 0.343 254 Y C 0.232 176.114 175.900 -0.031 0.000 1.025 254 Y CA -0.899 57.242 58.100 0.069 0.000 1.082 254 Y CB 1.949 40.542 38.460 0.222 0.000 1.264 254 Y HN 0.550 nan 8.280 nan 0.000 0.478 255 E N 0.526 120.801 120.200 0.126 0.000 2.238 255 E HA 0.592 4.936 4.350 -0.009 0.000 0.267 255 E C -1.341 175.220 176.600 -0.066 0.000 0.887 255 E CA -0.885 55.526 56.400 0.018 0.000 0.769 255 E CB 2.278 32.003 29.700 0.042 0.000 1.187 255 E HN 0.396 nan 8.360 nan 0.000 0.416 256 S N 0.607 116.219 115.700 -0.146 0.000 2.619 256 S HA 0.197 4.661 4.470 -0.009 0.000 0.280 256 S C -0.056 174.479 174.600 -0.107 0.000 1.150 256 S CA -0.551 57.538 58.200 -0.185 0.000 0.978 256 S CB 1.040 63.974 63.200 -0.444 0.000 1.041 256 S HN 0.492 nan 8.310 nan 0.000 0.485 257 S N 2.035 117.702 115.700 -0.056 0.000 2.540 257 S HA 0.193 4.657 4.470 -0.009 0.000 0.218 257 S C -0.064 174.503 174.600 -0.055 0.000 0.977 257 S CA 0.043 58.217 58.200 -0.043 0.000 0.918 257 S CB -0.257 62.934 63.200 -0.016 0.000 0.806 257 S HN 0.763 nan 8.310 nan 0.000 0.496 258 D N 0.292 120.654 120.400 -0.063 0.000 2.945 258 D HA 0.298 4.933 4.640 -0.009 0.000 0.366 258 D C 0.351 176.583 176.300 -0.113 0.000 1.352 258 D CA -0.613 53.348 54.000 -0.065 0.000 0.810 258 D CB -0.108 40.686 40.800 -0.011 0.000 1.170 258 D HN -0.017 nan 8.370 nan 0.000 0.461 259 M N 0.864 120.346 119.600 -0.198 0.000 2.393 259 M HA -0.158 4.316 4.480 -0.009 0.000 0.201 259 M C 1.200 177.409 176.300 -0.151 0.000 0.403 259 M CA 1.135 56.231 55.300 -0.340 0.000 0.471 259 M CB -1.942 30.209 32.600 -0.748 0.000 1.669 259 M HN 0.880 nan 8.290 nan 0.000 0.864 260 G N -1.071 107.695 108.800 -0.056 0.000 2.176 260 G HA2 -0.341 3.614 3.960 -0.009 0.000 0.253 260 G HA3 -0.341 3.614 3.960 -0.009 0.000 0.253 260 G C 0.735 175.880 174.900 0.408 0.000 0.979 260 G CA 0.570 45.785 45.100 0.191 0.000 0.641 260 G HN 0.499 nan 8.290 nan 0.000 0.530 261 N N 0.580 119.412 118.700 0.219 0.000 2.188 261 N HA 0.045 4.780 4.740 -0.009 0.000 0.184 261 N C 1.327 176.989 175.510 0.254 0.000 1.018 261 N CA 1.889 55.072 53.050 0.221 0.000 0.858 261 N CB -0.090 38.478 38.487 0.136 0.000 0.989 261 N HN 0.918 nan 8.380 nan 0.000 0.426 262 T N -2.890 111.811 114.554 0.246 0.000 2.893 262 T HA 0.538 4.883 4.350 -0.009 0.000 0.293 262 T C -1.289 173.617 174.700 0.343 0.000 1.027 262 T CA -0.817 61.449 62.100 0.276 0.000 0.988 262 T CB 1.395 70.354 68.868 0.151 0.000 1.043 262 T HN -0.012 nan 8.240 nan 0.000 0.461 263 W N 2.232 123.555 121.300 0.038 0.000 2.656 263 W HA 0.732 5.387 4.660 -0.007 0.000 0.327 263 W C -1.017 175.587 176.519 0.142 0.000 1.041 263 W CA -1.264 56.123 57.345 0.070 0.000 1.229 263 W CB 1.796 31.221 29.460 -0.058 0.000 1.397 263 W HN 0.738 nan 8.180 nan 0.000 0.479 264 L N 2.705 124.151 121.223 0.372 0.000 2.381 264 L HA 0.473 4.808 4.340 -0.009 0.000 0.274 264 L C 0.117 177.156 176.870 0.282 0.000 0.988 264 L CA -0.734 54.275 54.840 0.282 0.000 0.824 264 L CB 1.543 43.688 42.059 0.144 0.000 1.263 264 L HN 0.462 nan 8.230 nan 0.000 0.410 265 E N 3.489 123.796 120.200 0.179 0.000 2.415 265 E HA 0.226 4.571 4.350 -0.009 0.000 0.263 265 E C -0.184 176.330 176.600 -0.144 0.000 0.995 265 E CA 0.130 56.431 56.400 -0.166 0.000 0.915 265 E CB 1.077 30.631 29.700 -0.243 0.000 0.951 265 E HN 0.812 nan 8.360 nan 0.000 0.449 266 A N 5.097 127.802 122.820 -0.191 0.000 3.074 266 A HA 0.084 4.399 4.320 -0.009 0.000 0.251 266 A C 1.241 178.713 177.584 -0.186 0.000 1.695 266 A CA -0.018 51.936 52.037 -0.137 0.000 1.343 266 A CB -0.896 18.041 19.000 -0.105 0.000 1.078 266 A HN 0.588 nan 8.150 nan 0.000 0.644 267 V N -1.747 118.017 119.914 -0.251 0.000 2.720 267 V HA -0.055 4.059 4.120 -0.009 0.000 0.256 267 V C 1.673 177.652 176.094 -0.191 0.000 1.082 267 V CA 2.096 64.153 62.300 -0.405 0.000 1.101 267 V CB -0.859 30.368 31.823 -0.994 0.000 0.693 267 V HN 0.523 nan 8.190 nan 0.000 0.479 268 G N -0.135 108.613 108.800 -0.088 0.000 3.042 268 G HA2 0.252 4.207 3.960 -0.009 0.000 0.212 268 G HA3 0.252 4.207 3.960 -0.009 0.000 0.212 268 G C 1.058 175.959 174.900 0.002 0.000 1.166 268 G CA 0.983 46.100 45.100 0.027 0.000 0.767 268 G HN 0.690 nan 8.290 nan 0.000 0.546 269 T N -2.494 112.041 114.554 -0.032 0.000 3.451 269 T HA 0.226 4.571 4.350 -0.009 0.000 0.201 269 T C 1.738 176.370 174.700 -0.114 0.000 0.965 269 T CA -0.106 61.949 62.100 -0.076 0.000 1.088 269 T CB 0.065 68.865 68.868 -0.113 0.000 1.251 269 T HN -0.023 nan 8.240 nan 0.000 0.325 270 L N 0.972 122.086 121.223 -0.182 0.000 2.749 270 L HA 0.440 4.774 4.340 -0.009 0.000 0.242 270 L C 1.109 177.747 176.870 -0.388 0.000 1.103 270 L CA -0.209 54.431 54.840 -0.335 0.000 0.906 270 L CB 0.571 42.517 42.059 -0.189 0.000 1.228 270 L HN 0.278 nan 8.230 nan 0.000 0.517 271 S N 0.738 116.265 115.700 -0.289 0.000 2.549 271 S HA 0.178 4.643 4.470 -0.009 0.000 0.283 271 S C 0.961 175.303 174.600 -0.430 0.000 1.320 271 S CA 0.012 58.016 58.200 -0.327 0.000 1.058 271 S CB 0.139 63.147 63.200 -0.320 0.000 0.882 271 S HN 0.414 nan 8.310 nan 0.000 0.498 272 R N 1.435 121.666 120.500 -0.448 0.000 3.994 272 R HA -0.161 4.174 4.340 -0.009 0.000 0.403 272 R C 0.937 176.864 176.300 -0.621 0.000 1.126 272 R CA 0.859 56.616 56.100 -0.572 0.000 1.143 272 R CB -2.641 27.121 30.300 -0.897 0.000 1.695 272 R HN 0.491 nan 8.270 nan 0.000 0.555 273 V N -0.338 119.178 119.914 -0.663 0.000 2.358 273 V HA -0.132 3.982 4.120 -0.009 0.000 0.246 273 V C 1.212 176.812 176.094 -0.823 0.000 1.047 273 V CA 1.607 63.396 62.300 -0.851 0.000 1.035 273 V CB -0.139 30.826 31.823 -1.431 0.000 0.658 273 V HN 0.253 nan 8.190 nan 0.000 0.452 274 W N 0.505 121.522 121.300 -0.472 0.000 2.349 274 W HA 0.631 5.284 4.660 -0.011 0.000 0.309 274 W C 0.375 176.688 176.519 -0.343 0.000 1.083 274 W CA -0.688 56.379 57.345 -0.463 0.000 1.224 274 W CB 0.832 29.957 29.460 -0.559 0.000 1.256 274 W HN 0.128 nan 8.180 nan 0.000 0.461 275 G N 3.939 112.703 108.800 -0.060 0.000 2.389 275 G HA2 0.403 4.358 3.960 -0.009 0.000 0.328 275 G HA3 0.403 4.358 3.960 -0.009 0.000 0.328 275 G C -1.641 173.216 174.900 -0.071 0.000 1.133 275 G CA -1.194 43.870 45.100 -0.060 0.000 0.891 275 G HN 0.155 nan 8.290 nan 0.000 0.485 276 P HA 0.034 nan 4.420 nan 0.000 0.236 276 P C 0.347 177.731 177.300 0.140 0.000 1.177 276 P CA 0.520 63.661 63.100 0.068 0.000 0.773 276 P CB 0.433 32.182 31.700 0.080 0.000 0.878 277 S N -3.280 112.484 115.700 0.106 0.000 2.611 277 S HA 0.424 4.888 4.470 -0.009 0.000 0.268 277 S C -2.718 171.956 174.600 0.123 0.000 1.156 277 S CA -1.262 57.023 58.200 0.141 0.000 0.817 277 S CB 1.375 64.629 63.200 0.090 0.000 1.122 277 S HN -0.347 nan 8.310 nan 0.000 0.466 278 P HA -0.064 nan 4.420 nan 0.000 0.216 278 P C 0.569 177.879 177.300 0.017 0.000 1.150 278 P CA 1.405 64.532 63.100 0.045 0.000 0.843 278 P CB 0.072 31.726 31.700 -0.076 0.000 0.787 279 K N -1.563 118.848 120.400 0.018 0.000 2.397 279 K HA 0.250 4.565 4.320 -0.009 0.000 0.202 279 K C 0.351 176.965 176.600 0.023 0.000 1.022 279 K CA -0.145 56.149 56.287 0.010 0.000 1.141 279 K CB -0.585 31.918 32.500 0.005 0.000 0.857 279 K HN -0.086 nan 8.250 nan 0.000 0.514 280 S N 2.647 118.366 115.700 0.032 0.000 3.559 280 S HA -0.159 4.305 4.470 -0.009 0.000 0.369 280 S C 0.282 174.915 174.600 0.054 0.000 0.987 280 S CA 1.092 59.310 58.200 0.030 0.000 1.187 280 S CB -1.473 61.733 63.200 0.009 0.000 0.914 280 S HN 0.636 nan 8.310 nan 0.000 0.480 281 N N -0.692 118.050 118.700 0.071 0.000 2.377 281 N HA 0.146 4.880 4.740 -0.009 0.000 0.259 281 N C -0.370 175.272 175.510 0.219 0.000 1.332 281 N CA -0.489 52.643 53.050 0.138 0.000 0.877 281 N CB 0.453 38.990 38.487 0.084 0.000 1.299 281 N HN 0.316 nan 8.380 nan 0.000 0.501 282 Q N -0.011 119.825 119.800 0.060 0.000 2.528 282 Q HA 0.582 4.916 4.340 -0.009 0.000 0.289 282 Q C -2.860 172.813 176.000 -0.544 0.000 1.091 282 Q CA -1.742 53.981 55.803 -0.134 0.000 0.797 282 Q CB 1.491 30.165 28.738 -0.107 0.000 1.466 282 Q HN 0.030 nan 8.270 nan 0.000 0.436 283 P HA 0.022 nan 4.420 nan 0.000 0.268 283 P C -0.087 177.028 177.300 -0.307 0.000 1.208 283 P CA 0.419 63.027 63.100 -0.820 0.000 0.777 283 P CB 0.412 31.444 31.700 -1.113 0.000 0.875 284 G N 0.522 109.248 108.800 -0.124 0.000 2.630 284 G HA2 0.521 4.476 3.960 -0.009 0.000 0.223 284 G HA3 0.521 4.476 3.960 -0.009 0.000 0.223 284 G C -0.630 174.360 174.900 0.150 0.000 1.434 284 G CA -0.267 44.902 45.100 0.114 0.000 1.057 284 G HN 0.573 nan 8.290 nan 0.000 0.570 285 S N -2.173 113.616 115.700 0.149 0.000 2.588 285 S HA 0.368 4.833 4.470 -0.009 0.000 0.269 285 S C -0.979 173.552 174.600 -0.115 0.000 1.157 285 S CA -0.541 57.675 58.200 0.026 0.000 0.824 285 S CB 1.718 64.720 63.200 -0.330 0.000 1.126 285 S HN 0.711 nan 8.310 nan 0.000 0.464 286 Q N 1.568 121.121 119.800 -0.412 0.000 2.421 286 Q HA 0.437 4.772 4.340 -0.009 0.000 0.255 286 Q C -1.088 174.746 176.000 -0.276 0.000 1.013 286 Q CA 0.528 56.053 55.803 -0.462 0.000 0.895 286 Q CB 0.897 29.044 28.738 -0.986 0.000 1.271 286 Q HN 0.640 nan 8.270 nan 0.000 0.460 287 S N 1.566 117.169 115.700 -0.162 0.000 2.540 287 S HA 0.273 4.738 4.470 -0.009 0.000 0.275 287 S C -1.119 173.423 174.600 -0.097 0.000 1.123 287 S CA -0.588 57.480 58.200 -0.219 0.000 0.907 287 S CB 1.846 64.910 63.200 -0.226 0.000 1.081 287 S HN 0.627 nan 8.310 nan 0.000 0.476 288 S N 1.840 117.466 115.700 -0.124 0.000 2.545 288 S HA 0.698 5.163 4.470 -0.009 0.000 0.275 288 S C -1.288 173.423 174.600 0.185 0.000 1.299 288 S CA -0.208 58.019 58.200 0.044 0.000 1.048 288 S CB 0.016 63.239 63.200 0.039 0.000 0.938 288 S HN 0.510 nan 8.310 nan 0.000 0.496 289 F N 4.463 124.466 119.950 0.088 0.000 2.915 289 F HA 0.443 4.964 4.527 -0.010 0.000 0.350 289 F C -0.447 175.447 175.800 0.157 0.000 1.248 289 F CA -0.396 57.708 58.000 0.174 0.000 1.084 289 F CB 1.227 40.373 39.000 0.243 0.000 1.391 289 F HN 0.650 nan 8.300 nan 0.000 0.548 290 T N 2.017 116.533 114.554 -0.063 0.000 2.906 290 T HA 0.916 5.260 4.350 -0.009 0.000 0.295 290 T C -0.861 173.780 174.700 -0.098 0.000 1.061 290 T CA -0.861 61.197 62.100 -0.071 0.000 1.000 290 T CB 1.845 70.758 68.868 0.075 0.000 1.103 290 T HN 0.863 nan 8.240 nan 0.000 0.486 291 A N 1.599 124.408 122.820 -0.019 0.000 2.288 291 A HA 0.847 5.161 4.320 -0.009 0.000 0.320 291 A C 0.122 177.788 177.584 0.135 0.000 1.217 291 A CA -0.665 51.435 52.037 0.105 0.000 0.840 291 A CB 0.451 19.565 19.000 0.191 0.000 1.179 291 A HN 1.784 nan 8.150 nan 0.000 0.504 292 V N -0.517 119.492 119.914 0.158 0.000 3.160 292 V HA 0.873 4.987 4.120 -0.009 0.000 0.310 292 V C -0.368 175.813 176.094 0.145 0.000 1.181 292 V CA -0.643 61.755 62.300 0.163 0.000 1.047 292 V CB 1.616 33.525 31.823 0.143 0.000 1.068 292 V HN 0.677 nan 8.190 nan 0.000 0.441 293 T N 3.052 117.710 114.554 0.175 0.000 2.786 293 T HA 0.721 5.066 4.350 -0.009 0.000 0.283 293 T C -0.488 174.311 174.700 0.164 0.000 0.992 293 T CA 0.018 62.202 62.100 0.140 0.000 0.954 293 T CB 0.628 69.569 68.868 0.122 0.000 0.934 293 T HN 0.628 nan 8.240 nan 0.000 0.440 294 I N 2.902 123.507 120.570 0.058 0.000 2.418 294 I HA 0.285 4.450 4.170 -0.009 0.000 0.287 294 I C 0.121 176.265 176.117 0.045 0.000 1.008 294 I CA -0.718 60.589 61.300 0.011 0.000 1.104 294 I CB 1.467 39.353 38.000 -0.190 0.000 1.264 294 I HN 0.593 nan 8.210 nan 0.000 0.438 295 E N 4.864 125.112 120.200 0.080 0.000 2.269 295 E HA -0.267 4.078 4.350 -0.009 0.000 0.223 295 E C 1.050 177.680 176.600 0.050 0.000 1.244 295 E CA 1.023 57.456 56.400 0.054 0.000 0.713 295 E CB -1.267 28.447 29.700 0.022 0.000 1.178 295 E HN 1.223 nan 8.360 nan 0.000 0.370 296 G N -0.302 108.536 108.800 0.063 0.000 2.179 296 G HA2 -0.371 3.584 3.960 -0.009 0.000 0.260 296 G HA3 -0.371 3.584 3.960 -0.009 0.000 0.260 296 G C 0.233 175.168 174.900 0.060 0.000 0.977 296 G CA 0.568 45.701 45.100 0.054 0.000 0.641 296 G HN 0.381 nan 8.290 nan 0.000 0.533 297 M N 0.579 120.224 119.600 0.075 0.000 2.205 297 M HA 0.689 5.164 4.480 -0.009 0.000 0.344 297 M C 0.241 176.615 176.300 0.123 0.000 1.085 297 M CA -1.123 54.240 55.300 0.105 0.000 1.001 297 M CB 1.040 33.726 32.600 0.142 0.000 1.626 297 M HN 0.108 nan 8.290 nan 0.000 0.442 298 R N 3.661 124.229 120.500 0.113 0.000 2.389 298 R HA 0.545 4.879 4.340 -0.009 0.000 0.295 298 R C -1.228 175.308 176.300 0.392 0.000 1.075 298 R CA -0.096 56.088 56.100 0.140 0.000 1.005 298 R CB 0.379 30.620 30.300 -0.099 0.000 0.987 298 R HN 0.554 nan 8.270 nan 0.000 0.452 299 V N 0.810 120.981 119.914 0.429 0.000 3.202 299 V HA 0.638 4.752 4.120 -0.009 0.000 0.306 299 V C -0.637 175.649 176.094 0.321 0.000 1.283 299 V CA -1.229 61.337 62.300 0.444 0.000 1.065 299 V CB 2.350 34.343 31.823 0.284 0.000 1.079 299 V HN 0.665 nan 8.190 nan 0.000 0.448 300 M N 1.879 121.579 119.600 0.167 0.000 2.456 300 M HA 0.670 5.145 4.480 -0.009 0.000 0.324 300 M C -1.325 175.097 176.300 0.202 0.000 1.124 300 M CA -0.427 54.920 55.300 0.078 0.000 0.959 300 M CB 2.167 34.713 32.600 -0.090 0.000 1.692 300 M HN 0.542 nan 8.290 nan 0.000 0.444 301 L N 2.680 124.018 121.223 0.192 0.000 2.322 301 L HA 0.682 5.017 4.340 -0.009 0.000 0.281 301 L C -1.290 175.817 176.870 0.395 0.000 1.014 301 L CA -0.579 54.421 54.840 0.266 0.000 0.815 301 L CB 1.609 43.765 42.059 0.162 0.000 1.247 301 L HN 0.591 nan 8.230 nan 0.000 0.421 302 F N 2.085 122.179 119.950 0.240 0.000 2.569 302 F HA 0.656 5.178 4.527 -0.009 0.000 0.312 302 F C -0.364 175.492 175.800 0.094 0.000 1.109 302 F CA -0.289 57.787 58.000 0.127 0.000 0.919 302 F CB 2.090 40.947 39.000 -0.238 0.000 1.211 302 F HN 0.481 nan 8.300 nan 0.000 0.446 303 T N 1.816 115.878 114.554 -0.820 0.000 2.887 303 T HA 0.646 4.990 4.350 -0.009 0.000 0.288 303 T C -1.484 172.716 174.700 -0.833 0.000 1.021 303 T CA -0.667 61.101 62.100 -0.552 0.000 1.000 303 T CB 1.779 70.495 68.868 -0.255 0.000 1.034 303 T HN 0.924 nan 8.240 nan 0.000 0.467 304 H N 0.921 119.739 119.070 -0.420 0.000 3.121 304 H HA 0.449 4.999 4.556 -0.009 0.000 0.337 304 H C -3.064 172.245 175.328 -0.032 0.000 1.198 304 H CA -1.300 54.603 56.048 -0.241 0.000 1.274 304 H CB 2.222 31.892 29.762 -0.153 0.000 1.954 304 H HN 0.521 nan 8.280 nan 0.000 0.531 305 P HA 0.045 nan 4.420 nan 0.000 0.271 305 P C 0.416 177.872 177.300 0.259 0.000 1.218 305 P CA -0.128 63.010 63.100 0.063 0.000 0.780 305 P CB 1.510 33.194 31.700 -0.027 0.000 0.901 306 L N 0.855 122.141 121.223 0.105 0.000 2.341 306 L HA -0.005 4.330 4.340 -0.009 0.000 0.214 306 L C 0.857 177.845 176.870 0.198 0.000 1.115 306 L CA 0.561 55.499 54.840 0.164 0.000 0.820 306 L CB -0.815 41.249 42.059 0.009 0.000 0.944 306 L HN 0.474 nan 8.230 nan 0.000 0.452 307 N N -0.157 118.590 118.700 0.080 0.000 2.738 307 N HA -0.258 4.477 4.740 -0.009 0.000 0.249 307 N C 0.573 176.242 175.510 0.265 0.000 1.047 307 N CA 0.364 53.489 53.050 0.125 0.000 0.707 307 N CB -1.456 37.106 38.487 0.126 0.000 0.937 307 N HN 0.333 nan 8.380 nan 0.000 0.545 308 F N -0.081 119.897 119.950 0.046 0.000 2.202 308 F HA -0.215 4.307 4.527 -0.009 0.000 0.301 308 F C 2.061 177.876 175.800 0.025 0.000 1.082 308 F CA 0.913 58.934 58.000 0.035 0.000 1.313 308 F CB -0.008 39.011 39.000 0.032 0.000 1.024 308 F HN 0.244 nan 8.300 nan 0.000 0.495 309 K N 0.407 120.938 120.400 0.217 0.000 2.097 309 K HA 0.098 4.413 4.320 -0.009 0.000 0.205 309 K C 1.103 177.756 176.600 0.089 0.000 1.050 309 K CA 0.613 56.976 56.287 0.126 0.000 0.938 309 K CB -0.427 32.125 32.500 0.088 0.000 0.718 309 K HN 0.374 nan 8.250 nan 0.000 0.442 310 G N 0.695 109.542 108.800 0.078 0.000 2.685 310 G HA2 -0.249 3.706 3.960 -0.009 0.000 0.387 310 G HA3 -0.249 3.706 3.960 -0.009 0.000 0.387 310 G C -0.565 174.325 174.900 -0.018 0.000 1.324 310 G CA -0.347 44.768 45.100 0.025 0.000 0.878 310 G HN 0.294 nan 8.290 nan 0.000 0.527 311 R N -2.192 118.237 120.500 -0.119 0.000 3.815 311 R HA -0.233 4.102 4.340 -0.009 0.000 0.470 311 R C 1.002 177.106 176.300 -0.328 0.000 0.241 311 R CA 2.100 58.034 56.100 -0.277 0.000 1.481 311 R CB -1.319 29.006 30.300 0.040 0.000 0.988 311 R HN 0.818 nan 8.270 nan 0.000 0.570 312 W N 1.305 122.629 121.300 0.040 0.000 3.330 312 W HA 0.212 4.866 4.660 -0.010 0.000 0.348 312 W C 1.694 178.226 176.519 0.022 0.000 1.205 312 W CA -0.113 57.249 57.345 0.028 0.000 1.841 312 W CB -0.213 29.264 29.460 0.027 0.000 1.084 312 W HN 0.341 nan 8.180 nan 0.000 0.665 313 L N 0.792 122.125 121.223 0.183 0.000 2.012 313 L HA -0.138 4.196 4.340 -0.009 0.000 0.210 313 L C 1.216 178.122 176.870 0.060 0.000 1.073 313 L CA 1.451 56.354 54.840 0.105 0.000 0.748 313 L CB -0.662 41.440 42.059 0.072 0.000 0.891 313 L HN -0.057 nan 8.230 nan 0.000 0.431 314 R N 1.043 121.574 120.500 0.052 0.000 3.267 314 R HA -0.133 4.202 4.340 -0.009 0.000 0.254 314 R C -0.410 175.882 176.300 -0.014 0.000 0.993 314 R CA 0.554 56.672 56.100 0.030 0.000 0.670 314 R CB -1.896 28.430 30.300 0.042 0.000 1.125 314 R HN 0.627 nan 8.270 nan 0.000 0.434 315 D N 0.800 121.180 120.400 -0.033 0.000 2.361 315 D HA 0.105 4.740 4.640 -0.009 0.000 0.239 315 D C 0.013 176.217 176.300 -0.160 0.000 1.200 315 D CA -0.378 53.569 54.000 -0.089 0.000 0.915 315 D CB 0.460 41.203 40.800 -0.096 0.000 1.170 315 D HN 0.258 nan 8.370 nan 0.000 0.444 316 R N -1.020 119.365 120.500 -0.192 0.000 3.055 316 R HA -0.195 4.140 4.340 -0.009 0.000 0.265 316 R C -0.618 175.577 176.300 -0.176 0.000 0.947 316 R CA -0.227 55.728 56.100 -0.241 0.000 0.652 316 R CB -1.856 28.172 30.300 -0.453 0.000 1.367 316 R HN 0.439 nan 8.270 nan 0.000 0.441 317 L N 1.773 122.884 121.223 -0.187 0.000 2.477 317 L HA 0.144 4.479 4.340 -0.009 0.000 0.272 317 L C 0.032 176.808 176.870 -0.156 0.000 1.157 317 L CA 0.645 55.372 54.840 -0.188 0.000 0.889 317 L CB 0.531 42.376 42.059 -0.358 0.000 1.158 317 L HN 0.231 nan 8.230 nan 0.000 0.473 318 N N 3.558 122.217 118.700 -0.069 0.000 2.319 318 N HA 0.641 5.376 4.740 -0.009 0.000 0.305 318 N C -1.554 173.898 175.510 -0.097 0.000 1.103 318 N CA -0.570 52.419 53.050 -0.101 0.000 0.815 318 N CB 1.751 40.216 38.487 -0.038 0.000 1.288 318 N HN 0.547 nan 8.380 nan 0.000 0.493 319 L N 1.647 122.739 121.223 -0.218 0.000 2.317 319 L HA 0.708 5.042 4.340 -0.009 0.000 0.281 319 L C -1.742 174.995 176.870 -0.221 0.000 1.024 319 L CA -0.450 54.326 54.840 -0.105 0.000 0.810 319 L CB 0.621 42.644 42.059 -0.060 0.000 1.240 319 L HN 0.556 nan 8.230 nan 0.000 0.427 320 W N 5.164 126.573 121.300 0.182 0.000 2.844 320 W HA 0.665 5.320 4.660 -0.008 0.000 0.340 320 W C -1.238 175.486 176.519 0.341 0.000 1.093 320 W CA -0.608 56.929 57.345 0.320 0.000 1.212 320 W CB 1.838 31.597 29.460 0.498 0.000 1.422 320 W HN 0.437 nan 8.180 nan 0.000 0.515 321 L N 2.488 124.097 121.223 0.644 0.000 2.385 321 L HA 0.872 5.206 4.340 -0.009 0.000 0.273 321 L C -0.589 176.667 176.870 0.643 0.000 0.990 321 L CA -0.063 55.086 54.840 0.514 0.000 0.821 321 L CB 2.026 44.305 42.059 0.366 0.000 1.279 321 L HN 0.359 nan 8.230 nan 0.000 0.412 322 T N 1.577 116.450 114.554 0.532 0.000 2.956 322 T HA 0.403 4.748 4.350 -0.009 0.000 0.312 322 T C -0.779 174.123 174.700 0.338 0.000 1.151 322 T CA -0.246 62.149 62.100 0.493 0.000 1.024 322 T CB 1.078 70.166 68.868 0.367 0.000 1.140 322 T HN 0.766 nan 8.240 nan 0.000 0.473 323 D N 3.208 123.794 120.400 0.310 0.000 2.427 323 D HA 0.163 4.798 4.640 -0.009 0.000 0.224 323 D C 0.783 177.107 176.300 0.040 0.000 1.157 323 D CA -0.272 53.893 54.000 0.275 0.000 0.828 323 D CB -0.654 40.375 40.800 0.382 0.000 0.974 323 D HN 0.809 nan 8.370 nan 0.000 0.498 324 N N -0.285 118.299 118.700 -0.193 0.000 2.878 324 N HA -0.253 4.482 4.740 -0.009 0.000 0.247 324 N C 0.292 175.711 175.510 -0.153 0.000 1.021 324 N CA 1.107 53.996 53.050 -0.267 0.000 0.873 324 N CB -0.353 37.890 38.487 -0.408 0.000 1.128 324 N HN 0.443 nan 8.380 nan 0.000 0.571 325 Q N -0.637 119.065 119.800 -0.163 0.000 2.361 325 Q HA 0.225 4.559 4.340 -0.009 0.000 0.182 325 Q C -0.090 175.759 176.000 -0.251 0.000 0.650 325 Q CA -0.205 55.444 55.803 -0.256 0.000 0.842 325 Q CB 0.395 28.950 28.738 -0.306 0.000 1.211 325 Q HN 0.117 nan 8.270 nan 0.000 0.502 326 R N 0.865 121.145 120.500 -0.367 0.000 2.500 326 R HA 0.549 4.884 4.340 -0.009 0.000 0.277 326 R C -0.609 175.732 176.300 0.068 0.000 1.026 326 R CA 0.097 56.038 56.100 -0.266 0.000 1.058 326 R CB 1.019 30.848 30.300 -0.785 0.000 1.078 326 R HN 0.138 nan 8.270 nan 0.000 0.509 327 I N 2.102 122.851 120.570 0.299 0.000 2.497 327 I HA 0.212 4.377 4.170 -0.009 0.000 0.284 327 I C -1.394 175.118 176.117 0.658 0.000 1.060 327 I CA -0.777 60.800 61.300 0.462 0.000 1.071 327 I CB 1.319 39.445 38.000 0.210 0.000 1.216 327 I HN 0.534 nan 8.210 nan 0.000 0.442 328 Y N 6.453 127.153 120.300 0.668 0.000 2.341 328 Y HA 0.420 4.964 4.550 -0.010 0.000 0.337 328 Y C 0.062 176.190 175.900 0.380 0.000 1.014 328 Y CA -0.677 57.737 58.100 0.523 0.000 1.111 328 Y CB 1.261 39.997 38.460 0.460 0.000 1.194 328 Y HN 0.534 nan 8.280 nan 0.000 0.462 329 N N 4.982 123.330 118.700 -0.587 0.000 2.482 329 N HA 0.090 4.825 4.740 -0.009 0.000 0.242 329 N C 0.342 175.304 175.510 -0.913 0.000 1.100 329 N CA 0.154 52.578 53.050 -1.044 0.000 0.946 329 N CB 0.804 38.669 38.487 -1.038 0.000 1.227 329 N HN 0.622 nan 8.380 nan 0.000 0.508 330 V N 2.449 122.112 119.914 -0.418 0.000 2.343 330 V HA 0.118 4.233 4.120 -0.009 0.000 0.247 330 V C 1.506 177.494 176.094 -0.177 0.000 1.051 330 V CA 1.745 64.009 62.300 -0.060 0.000 1.036 330 V CB -1.464 30.390 31.823 0.052 0.000 0.654 330 V HN 0.916 nan 8.190 nan 0.000 0.451 331 G N -1.153 107.458 108.800 -0.315 0.000 2.325 331 G HA2 0.001 3.956 3.960 -0.009 0.000 0.285 331 G HA3 0.001 3.956 3.960 -0.009 0.000 0.285 331 G C -0.942 173.831 174.900 -0.212 0.000 1.303 331 G CA -0.230 44.721 45.100 -0.248 0.000 0.970 331 G HN 0.235 nan 8.290 nan 0.000 0.490 332 Q N -0.256 119.454 119.800 -0.149 0.000 2.294 332 Q HA 0.525 4.860 4.340 -0.009 0.000 0.257 332 Q C 0.891 176.825 176.000 -0.110 0.000 0.955 332 Q CA -0.383 55.339 55.803 -0.136 0.000 0.936 332 Q CB 1.406 30.073 28.738 -0.118 0.000 1.188 332 Q HN 0.451 nan 8.270 nan 0.000 0.420 333 V N 2.691 122.526 119.914 -0.131 0.000 2.535 333 V HA -0.090 4.025 4.120 -0.009 0.000 0.246 333 V C 1.028 177.072 176.094 -0.083 0.000 1.045 333 V CA 1.350 63.589 62.300 -0.102 0.000 1.058 333 V CB 0.006 31.752 31.823 -0.129 0.000 0.689 333 V HN 0.871 nan 8.190 nan 0.000 0.461 334 S N 0.129 115.723 115.700 -0.177 0.000 2.626 334 S HA 0.461 4.926 4.470 -0.009 0.000 0.257 334 S C -0.334 174.253 174.600 -0.022 0.000 1.288 334 S CA -0.334 57.813 58.200 -0.088 0.000 0.980 334 S CB 0.823 63.923 63.200 -0.167 0.000 0.975 334 S HN 0.212 nan 8.310 nan 0.000 0.577 335 I N 1.277 121.857 120.570 0.015 0.000 2.406 335 I HA 0.549 4.713 4.170 -0.009 0.000 0.290 335 I C 1.191 177.302 176.117 -0.011 0.000 0.999 335 I CA -0.115 61.188 61.300 0.005 0.000 1.124 335 I CB 0.904 38.919 38.000 0.025 0.000 1.289 335 I HN 1.136 nan 8.210 nan 0.000 0.441 336 G N 5.619 114.408 108.800 -0.019 0.000 2.596 336 G HA2 -0.332 3.622 3.960 -0.009 0.000 0.295 336 G HA3 -0.332 3.622 3.960 -0.009 0.000 0.295 336 G C 0.358 175.235 174.900 -0.039 0.000 1.240 336 G CA 0.602 45.691 45.100 -0.019 0.000 0.985 336 G HN 0.880 nan 8.290 nan 0.000 0.555 337 D N 1.702 122.087 120.400 -0.026 0.000 2.427 337 D HA 0.136 4.771 4.640 -0.009 0.000 0.224 337 D C 0.929 177.208 176.300 -0.036 0.000 1.157 337 D CA 0.679 54.657 54.000 -0.036 0.000 0.828 337 D CB -0.566 40.234 40.800 -0.001 0.000 0.974 337 D HN 0.946 nan 8.370 nan 0.000 0.498 338 E N 0.470 120.651 120.200 -0.032 0.000 2.418 338 E HA 0.016 4.361 4.350 -0.009 0.000 0.261 338 E C -0.336 176.240 176.600 -0.039 0.000 1.070 338 E CA -0.483 55.901 56.400 -0.026 0.000 0.931 338 E CB 0.403 30.099 29.700 -0.006 0.000 0.954 338 E HN -0.087 nan 8.360 nan 0.000 0.439 339 N N 1.579 120.253 118.700 -0.044 0.000 2.475 339 N HA 0.057 4.792 4.740 -0.009 0.000 0.267 339 N C -0.898 174.591 175.510 -0.035 0.000 1.169 339 N CA 0.045 53.065 53.050 -0.050 0.000 0.947 339 N CB 1.109 39.551 38.487 -0.076 0.000 1.061 339 N HN 0.574 nan 8.380 nan 0.000 0.466 340 S N -0.758 114.927 115.700 -0.025 0.000 2.479 340 S HA 0.523 4.988 4.470 -0.009 0.000 0.169 340 S C 0.341 174.930 174.600 -0.019 0.000 1.181 340 S CA -0.744 57.464 58.200 0.012 0.000 1.169 340 S CB 0.476 63.652 63.200 -0.040 0.000 1.384 340 S HN 0.527 nan 8.310 nan 0.000 0.412 341 A N 2.024 124.842 122.820 -0.004 0.000 1.849 341 A HA 0.448 4.763 4.320 -0.009 0.000 0.214 341 A C 0.184 177.867 177.584 0.164 0.000 1.269 341 A CA 0.798 52.827 52.037 -0.012 0.000 0.605 341 A CB -0.463 18.422 19.000 -0.191 0.000 0.937 341 A HN 0.689 nan 8.150 nan 0.000 0.461 342 Y N 0.403 120.717 120.300 0.024 0.000 2.307 342 Y HA 0.550 5.096 4.550 -0.008 0.000 0.324 342 Y C 0.786 176.702 175.900 0.027 0.000 1.238 342 Y CA -1.187 56.908 58.100 -0.007 0.000 1.280 342 Y CB 0.819 39.279 38.460 0.001 0.000 1.248 342 Y HN 0.465 nan 8.280 nan 0.000 0.508 343 S N -0.283 115.517 115.700 0.166 0.000 2.625 343 S HA 0.778 5.242 4.470 -0.009 0.000 0.271 343 S C -1.067 173.590 174.600 0.095 0.000 1.161 343 S CA -0.926 57.354 58.200 0.134 0.000 0.820 343 S CB 2.139 65.374 63.200 0.058 0.000 1.137 343 S HN 0.553 nan 8.310 nan 0.000 0.470 344 S N 0.305 116.079 115.700 0.123 0.000 2.649 344 S HA 0.584 5.049 4.470 -0.009 0.000 0.274 344 S C -1.603 173.092 174.600 0.158 0.000 1.176 344 S CA -0.491 57.786 58.200 0.128 0.000 0.988 344 S CB 1.079 64.362 63.200 0.138 0.000 1.071 344 S HN 0.885 nan 8.310 nan 0.000 0.478 345 V N 5.312 125.317 119.914 0.151 0.000 2.435 345 V HA 0.686 4.800 4.120 -0.009 0.000 0.290 345 V C -0.427 175.799 176.094 0.219 0.000 1.030 345 V CA -0.688 61.716 62.300 0.173 0.000 0.881 345 V CB 1.421 33.323 31.823 0.133 0.000 0.983 345 V HN 0.775 nan 8.190 nan 0.000 0.445 346 L N 5.246 126.641 121.223 0.288 0.000 2.386 346 L HA 0.614 4.948 4.340 -0.009 0.000 0.271 346 L C -1.442 175.682 176.870 0.424 0.000 0.993 346 L CA -0.486 54.553 54.840 0.333 0.000 0.819 346 L CB 1.773 44.041 42.059 0.348 0.000 1.294 346 L HN 0.623 nan 8.230 nan 0.000 0.414 347 Y N 4.973 125.398 120.300 0.208 0.000 2.334 347 Y HA 0.611 5.155 4.550 -0.010 0.000 0.336 347 Y C -0.976 175.038 175.900 0.191 0.000 0.960 347 Y CA -0.715 57.490 58.100 0.175 0.000 1.164 347 Y CB 0.899 39.428 38.460 0.115 0.000 1.155 347 Y HN 0.719 nan 8.280 nan 0.000 0.478 348 K N 5.414 125.784 120.400 -0.050 0.000 2.565 348 K HA 0.281 4.596 4.320 -0.009 0.000 0.249 348 K C -1.091 175.430 176.600 -0.132 0.000 0.958 348 K CA -0.445 55.810 56.287 -0.053 0.000 0.806 348 K CB 0.934 33.519 32.500 0.142 0.000 1.194 348 K HN 0.737 nan 8.250 nan 0.000 0.434 349 D N 3.875 124.150 120.400 -0.207 0.000 2.686 349 D HA -0.202 4.433 4.640 -0.009 0.000 0.235 349 D C -0.348 175.848 176.300 -0.173 0.000 1.160 349 D CA 1.847 55.761 54.000 -0.143 0.000 0.645 349 D CB -0.756 40.021 40.800 -0.037 0.000 1.039 349 D HN 1.000 nan 8.370 nan 0.000 0.423 350 D N -1.261 118.895 120.400 -0.406 0.000 2.911 350 D HA -0.205 4.429 4.640 -0.009 0.000 0.227 350 D C -0.596 175.688 176.300 -0.027 0.000 1.164 350 D CA 1.220 55.095 54.000 -0.208 0.000 0.782 350 D CB -0.008 40.788 40.800 -0.007 0.000 1.094 350 D HN 0.322 nan 8.370 nan 0.000 0.425 351 K N -0.181 120.161 120.400 -0.096 0.000 2.375 351 K HA 0.657 4.972 4.320 -0.009 0.000 0.249 351 K C -0.546 175.972 176.600 -0.136 0.000 0.942 351 K CA -1.036 55.181 56.287 -0.116 0.000 0.806 351 K CB 2.027 34.421 32.500 -0.177 0.000 1.227 351 K HN 0.091 nan 8.250 nan 0.000 0.430 352 L N 2.183 123.230 121.223 -0.293 0.000 2.346 352 L HA 0.518 4.852 4.340 -0.009 0.000 0.276 352 L C -1.596 174.988 176.870 -0.478 0.000 1.006 352 L CA -0.366 54.395 54.840 -0.132 0.000 0.817 352 L CB 0.951 43.010 42.059 -0.000 0.000 1.272 352 L HN 0.504 nan 8.230 nan 0.000 0.421 353 Y N 2.849 123.194 120.300 0.076 0.000 2.581 353 Y HA 0.666 5.210 4.550 -0.010 0.000 0.345 353 Y C -0.499 175.397 175.900 -0.007 0.000 1.036 353 Y CA -0.662 57.408 58.100 -0.051 0.000 1.042 353 Y CB 2.099 40.550 38.460 -0.014 0.000 1.289 353 Y HN 0.692 nan 8.280 nan 0.000 0.471 354 C N 3.088 122.434 119.300 0.078 0.000 2.608 354 C HA 0.740 5.194 4.460 -0.009 0.000 0.325 354 C C -1.688 173.378 174.990 0.127 0.000 1.147 354 C CA -0.729 58.370 59.018 0.135 0.000 1.359 354 C CB 0.226 28.050 27.740 0.140 0.000 1.912 354 C HN 0.798 nan 8.230 nan 0.000 0.466 355 L N 6.935 128.282 121.223 0.206 0.000 2.280 355 L HA 0.802 5.136 4.340 -0.009 0.000 0.287 355 L C -0.303 176.667 176.870 0.168 0.000 1.023 355 L CA 0.596 55.551 54.840 0.192 0.000 0.819 355 L CB 0.689 42.885 42.059 0.229 0.000 1.212 355 L HN 0.969 nan 8.230 nan 0.000 0.420 356 H N 1.341 120.454 119.070 0.073 0.000 3.008 356 H HA 0.608 5.159 4.556 -0.009 0.000 0.354 356 H C -1.257 174.102 175.328 0.052 0.000 1.252 356 H CA -0.988 55.093 56.048 0.054 0.000 1.117 356 H CB 0.832 30.617 29.762 0.038 0.000 1.857 356 H HN 0.553 nan 8.280 nan 0.000 0.547 357 E N 1.128 121.484 120.200 0.261 0.000 2.366 357 E HA 0.346 4.690 4.350 -0.009 0.000 0.266 357 E C -0.157 176.581 176.600 0.231 0.000 1.051 357 E CA -0.433 56.085 56.400 0.197 0.000 0.884 357 E CB 1.315 31.132 29.700 0.195 0.000 1.006 357 E HN 0.560 nan 8.360 nan 0.000 0.417 358 I N -0.441 120.194 120.570 0.108 0.000 2.545 358 I HA 0.463 4.628 4.170 -0.009 0.000 0.292 358 I C -0.888 175.175 176.117 -0.090 0.000 1.040 358 I CA -0.836 60.487 61.300 0.040 0.000 1.068 358 I CB 1.977 39.992 38.000 0.025 0.000 1.251 358 I HN 0.359 nan 8.210 nan 0.000 0.424 359 N N 3.978 122.548 118.700 -0.215 0.000 2.448 359 N HA 0.422 5.157 4.740 -0.009 0.000 0.279 359 N C -1.553 173.776 175.510 -0.301 0.000 1.025 359 N CA -0.309 52.434 53.050 -0.510 0.000 0.898 359 N CB 1.726 39.731 38.487 -0.804 0.000 1.303 359 N HN 0.720 nan 8.380 nan 0.000 0.495 360 S N 2.697 118.250 115.700 -0.245 0.000 2.498 360 S HA 0.318 4.782 4.470 -0.009 0.000 0.317 360 S C -0.083 174.440 174.600 -0.128 0.000 1.090 360 S CA -0.625 57.489 58.200 -0.143 0.000 1.089 360 S CB 0.972 64.120 63.200 -0.086 0.000 0.997 360 S HN 0.760 nan 8.310 nan 0.000 0.470 361 N N 2.840 121.487 118.700 -0.088 0.000 2.721 361 N HA -0.150 4.585 4.740 -0.009 0.000 0.249 361 N C -0.506 174.992 175.510 -0.020 0.000 1.072 361 N CA 1.040 54.067 53.050 -0.039 0.000 0.710 361 N CB -0.787 37.690 38.487 -0.018 0.000 0.993 361 N HN 0.775 nan 8.380 nan 0.000 0.547 362 E N -3.488 116.660 120.200 -0.087 0.000 2.637 362 E HA -0.193 4.152 4.350 -0.009 0.000 0.265 362 E C -0.606 176.101 176.600 0.178 0.000 1.073 362 E CA 0.855 57.270 56.400 0.025 0.000 0.778 362 E CB -1.856 27.933 29.700 0.149 0.000 1.362 362 E HN 0.394 nan 8.360 nan 0.000 0.413 363 V N 0.986 120.889 119.914 -0.019 0.000 2.444 363 V HA 0.478 4.593 4.120 -0.009 0.000 0.294 363 V C -0.315 175.756 176.094 -0.039 0.000 1.022 363 V CA -0.714 61.630 62.300 0.074 0.000 0.850 363 V CB 1.129 32.886 31.823 -0.111 0.000 0.992 363 V HN 0.067 nan 8.190 nan 0.000 0.426 364 Y N 1.647 121.962 120.300 0.024 0.000 2.393 364 Y HA 0.689 5.234 4.550 -0.009 0.000 0.341 364 Y C 0.627 176.582 175.900 0.090 0.000 0.988 364 Y CA -0.438 57.683 58.100 0.034 0.000 1.078 364 Y CB 2.361 40.833 38.460 0.020 0.000 1.203 364 Y HN 0.597 nan 8.280 nan 0.000 0.453 365 S N 2.757 118.583 115.700 0.210 0.000 2.648 365 S HA 0.707 5.171 4.470 -0.009 0.000 0.305 365 S C -0.986 173.692 174.600 0.130 0.000 1.094 365 S CA -0.879 57.440 58.200 0.198 0.000 0.983 365 S CB 1.078 64.333 63.200 0.092 0.000 1.101 365 S HN 0.447 nan 8.310 nan 0.000 0.514 366 L N 2.285 123.555 121.223 0.078 0.000 2.313 366 L HA 0.590 4.924 4.340 -0.009 0.000 0.283 366 L C -0.348 176.512 176.870 -0.017 0.000 1.013 366 L CA -0.958 53.877 54.840 -0.007 0.000 0.816 366 L CB 1.425 43.408 42.059 -0.128 0.000 1.236 366 L HN 0.447 nan 8.230 nan 0.000 0.419 367 V N 0.038 119.863 119.914 -0.149 0.000 2.617 367 V HA 0.514 4.628 4.120 -0.009 0.000 0.298 367 V C -0.765 175.302 176.094 -0.045 0.000 1.048 367 V CA -0.637 61.581 62.300 -0.137 0.000 0.964 367 V CB 1.730 33.396 31.823 -0.261 0.000 1.004 367 V HN 0.555 nan 8.190 nan 0.000 0.466 368 F N 3.738 123.637 119.950 -0.084 0.000 2.375 368 F HA 0.841 5.362 4.527 -0.009 0.000 0.361 368 F C 0.171 176.023 175.800 0.087 0.000 1.117 368 F CA -0.613 57.398 58.000 0.019 0.000 1.037 368 F CB 0.651 39.662 39.000 0.019 0.000 1.192 368 F HN 0.953 nan 8.300 nan 0.000 0.452 369 A N 6.640 129.232 122.820 -0.379 0.000 2.337 369 A HA 0.741 5.055 4.320 -0.009 0.000 0.329 369 A C -0.639 176.750 177.584 -0.325 0.000 1.146 369 A CA -0.933 50.964 52.037 -0.234 0.000 0.800 369 A CB 0.899 19.867 19.000 -0.054 0.000 1.220 369 A HN 0.830 nan 8.150 nan 0.000 0.472 370 R N 2.196 122.590 120.500 -0.176 0.000 2.198 370 R HA 0.327 4.662 4.340 -0.009 0.000 0.339 370 R C -0.884 175.330 176.300 -0.143 0.000 1.020 370 R CA -0.248 55.756 56.100 -0.160 0.000 0.864 370 R CB 0.772 31.051 30.300 -0.034 0.000 1.105 370 R HN 0.634 nan 8.270 nan 0.000 0.463 371 L N 4.408 125.519 121.223 -0.187 0.000 2.648 371 L HA 0.097 4.431 4.340 -0.009 0.000 0.238 371 L C 1.336 178.143 176.870 -0.105 0.000 1.316 371 L CA -0.210 54.564 54.840 -0.110 0.000 1.241 371 L CB 0.327 42.338 42.059 -0.080 0.000 1.499 371 L HN 0.561 nan 8.230 nan 0.000 0.411 372 V N 0.996 120.856 119.914 -0.089 0.000 2.307 372 V HA -0.180 3.935 4.120 -0.009 0.000 0.245 372 V C 2.455 178.524 176.094 -0.042 0.000 1.045 372 V CA 2.273 64.534 62.300 -0.065 0.000 1.024 372 V CB -0.555 31.242 31.823 -0.044 0.000 0.651 372 V HN 0.801 nan 8.190 nan 0.000 0.449 373 G N -0.547 108.234 108.800 -0.032 0.000 2.408 373 G HA2 -0.208 3.747 3.960 -0.009 0.000 0.217 373 G HA3 -0.208 3.747 3.960 -0.009 0.000 0.217 373 G C 1.434 176.322 174.900 -0.021 0.000 1.150 373 G CA 0.792 45.880 45.100 -0.021 0.000 0.776 373 G HN 0.522 nan 8.290 nan 0.000 0.542 374 E N -0.173 120.012 120.200 -0.026 0.000 2.077 374 E HA -0.065 4.280 4.350 -0.009 0.000 0.193 374 E C 2.280 178.861 176.600 -0.030 0.000 0.989 374 E CA 0.459 56.847 56.400 -0.020 0.000 0.800 374 E CB -0.310 29.376 29.700 -0.024 0.000 0.746 374 E HN 0.341 nan 8.360 nan 0.000 0.452 375 L N 0.826 122.024 121.223 -0.041 0.000 2.093 375 L HA -0.079 4.256 4.340 -0.009 0.000 0.208 375 L C 2.237 179.077 176.870 -0.051 0.000 1.085 375 L CA 1.667 56.479 54.840 -0.048 0.000 0.755 375 L CB -0.283 41.761 42.059 -0.025 0.000 0.904 375 L HN -0.019 nan 8.230 nan 0.000 0.435 376 R N -0.363 120.114 120.500 -0.040 0.000 2.081 376 R HA -0.161 4.173 4.340 -0.009 0.000 0.235 376 R C 2.292 178.557 176.300 -0.059 0.000 1.131 376 R CA 2.057 58.133 56.100 -0.041 0.000 0.960 376 R CB -0.399 29.884 30.300 -0.027 0.000 0.856 376 R HN 0.445 nan 8.270 nan 0.000 0.436 377 I N 0.634 121.176 120.570 -0.048 0.000 2.179 377 I HA -0.298 3.867 4.170 -0.009 0.000 0.242 377 I C 2.327 178.355 176.117 -0.148 0.000 1.088 377 I CA 1.330 62.597 61.300 -0.056 0.000 1.357 377 I CB -0.225 37.789 38.000 0.024 0.000 1.051 377 I HN 0.225 nan 8.210 nan 0.000 0.409 378 I N 0.690 121.185 120.570 -0.125 0.000 2.151 378 I HA -0.350 3.815 4.170 -0.009 0.000 0.243 378 I C 2.509 178.478 176.117 -0.248 0.000 1.080 378 I CA 1.649 62.830 61.300 -0.198 0.000 1.339 378 I CB -0.404 37.516 38.000 -0.133 0.000 1.039 378 I HN 0.173 nan 8.210 nan 0.000 0.409 379 K N -0.025 120.275 120.400 -0.168 0.000 2.097 379 K HA -0.169 4.145 4.320 -0.009 0.000 0.206 379 K C 2.367 178.862 176.600 -0.175 0.000 1.049 379 K CA 1.601 57.799 56.287 -0.148 0.000 0.933 379 K CB -0.232 32.218 32.500 -0.084 0.000 0.717 379 K HN 0.202 nan 8.250 nan 0.000 0.442 380 S N 0.581 116.176 115.700 -0.175 0.000 2.368 380 S HA -0.113 4.352 4.470 -0.009 0.000 0.225 380 S C 2.002 176.446 174.600 -0.260 0.000 1.030 380 S CA 1.131 59.229 58.200 -0.170 0.000 0.999 380 S CB -0.130 62.994 63.200 -0.127 0.000 0.844 380 S HN 0.073 nan 8.310 nan 0.000 0.459 381 V N 2.156 121.816 119.914 -0.423 0.000 2.358 381 V HA -0.101 4.014 4.120 -0.009 0.000 0.246 381 V C 2.412 178.018 176.094 -0.813 0.000 1.047 381 V CA 1.702 63.597 62.300 -0.676 0.000 1.035 381 V CB -0.693 30.492 31.823 -1.063 0.000 0.658 381 V HN 0.478 nan 8.190 nan 0.000 0.452 382 L N -0.408 120.423 121.223 -0.654 0.000 2.083 382 L HA -0.219 4.116 4.340 -0.009 0.000 0.209 382 L C 2.639 179.411 176.870 -0.163 0.000 1.083 382 L CA 1.513 56.088 54.840 -0.441 0.000 0.752 382 L CB -0.587 41.323 42.059 -0.248 0.000 0.899 382 L HN 0.358 nan 8.230 nan 0.000 0.433 383 Q N 0.226 119.929 119.800 -0.161 0.000 2.050 383 Q HA -0.170 4.165 4.340 -0.009 0.000 0.202 383 Q C 2.314 178.263 176.000 -0.084 0.000 0.980 383 Q CA 2.246 57.991 55.803 -0.096 0.000 0.840 383 Q CB -0.220 28.454 28.738 -0.106 0.000 0.898 383 Q HN 0.337 nan 8.270 nan 0.000 0.424 384 S N -0.421 115.220 115.700 -0.099 0.000 2.359 384 S HA -0.155 4.310 4.470 -0.009 0.000 0.224 384 S C 1.354 176.086 174.600 0.221 0.000 1.035 384 S CA 1.278 59.468 58.200 -0.016 0.000 1.018 384 S CB -0.519 62.735 63.200 0.090 0.000 0.876 384 S HN 0.503 nan 8.310 nan 0.000 0.448 385 W N 1.918 123.305 121.300 0.145 0.000 2.355 385 W HA 0.018 4.672 4.660 -0.009 0.000 0.309 385 W C 2.389 179.059 176.519 0.251 0.000 1.206 385 W CA 0.528 58.071 57.345 0.330 0.000 1.284 385 W CB -1.200 28.466 29.460 0.344 0.000 1.145 385 W HN 0.312 nan 8.180 nan 0.000 0.502 386 K N 0.266 120.876 120.400 0.350 0.000 2.057 386 K HA -0.207 4.108 4.320 -0.009 0.000 0.207 386 K C 1.737 178.405 176.600 0.113 0.000 1.049 386 K CA 1.808 58.217 56.287 0.204 0.000 0.931 386 K CB -0.281 32.287 32.500 0.114 0.000 0.714 386 K HN -0.058 nan 8.250 nan 0.000 0.440 387 N N 0.143 118.839 118.700 -0.008 0.000 2.106 387 N HA -0.130 4.605 4.740 -0.009 0.000 0.188 387 N C 1.426 176.844 175.510 -0.153 0.000 1.029 387 N CA 1.454 54.390 53.050 -0.190 0.000 0.848 387 N CB -0.401 37.821 38.487 -0.441 0.000 1.007 387 N HN 0.360 nan 8.380 nan 0.000 0.423 388 W N 1.312 122.680 121.300 0.115 0.000 2.418 388 W HA -0.037 4.617 4.660 -0.010 0.000 0.292 388 W C 1.736 178.393 176.519 0.229 0.000 1.213 388 W CA 0.051 57.481 57.345 0.142 0.000 1.283 388 W CB -0.061 29.335 29.460 -0.106 0.000 1.119 388 W HN -0.008 nan 8.180 nan 0.000 0.542 389 D N -0.388 120.284 120.400 0.453 0.000 2.117 389 D HA -0.187 4.448 4.640 -0.009 0.000 0.197 389 D C 2.227 178.648 176.300 0.201 0.000 0.987 389 D CA 1.774 55.968 54.000 0.324 0.000 0.829 389 D CB -0.814 40.152 40.800 0.277 0.000 0.961 389 D HN -0.020 nan 8.370 nan 0.000 0.460 390 S N -0.445 115.355 115.700 0.166 0.000 2.368 390 S HA -0.253 4.212 4.470 -0.009 0.000 0.225 390 S C 2.012 176.674 174.600 0.103 0.000 1.030 390 S CA 1.732 59.992 58.200 0.099 0.000 0.999 390 S CB -0.323 62.912 63.200 0.059 0.000 0.844 390 S HN 0.394 nan 8.310 nan 0.000 0.459 391 H N 1.220 120.320 119.070 0.051 0.000 2.290 391 H HA 0.012 4.563 4.556 -0.009 0.000 0.298 391 H C 1.916 177.286 175.328 0.069 0.000 1.087 391 H CA 2.305 58.371 56.048 0.029 0.000 1.291 391 H CB -0.681 29.140 29.762 0.100 0.000 1.369 391 H HN 0.412 nan 8.280 nan 0.000 0.492 392 L N -0.645 120.494 121.223 -0.140 0.000 2.056 392 L HA -0.118 4.216 4.340 -0.009 0.000 0.207 392 L C 2.631 179.422 176.870 -0.131 0.000 1.078 392 L CA 1.349 56.042 54.840 -0.245 0.000 0.749 392 L CB -0.446 41.579 42.059 -0.056 0.000 0.901 392 L HN 0.257 nan 8.230 nan 0.000 0.433 393 S N -0.610 115.069 115.700 -0.036 0.000 2.447 393 S HA -0.120 4.344 4.470 -0.009 0.000 0.233 393 S C 2.037 176.620 174.600 -0.028 0.000 1.006 393 S CA 1.329 59.519 58.200 -0.017 0.000 0.957 393 S CB -0.115 63.096 63.200 0.018 0.000 0.773 393 S HN 0.596 nan 8.310 nan 0.000 0.507 394 S N 0.386 116.063 115.700 -0.038 0.000 2.548 394 S HA 0.245 4.710 4.470 -0.009 0.000 0.215 394 S C 0.479 175.059 174.600 -0.034 0.000 0.976 394 S CA -0.346 57.841 58.200 -0.022 0.000 0.908 394 S CB -0.433 62.768 63.200 0.001 0.000 0.781 394 S HN 0.348 nan 8.310 nan 0.000 0.519 395 I N 2.199 122.723 120.570 -0.075 0.000 2.668 395 I HA 0.023 4.187 4.170 -0.009 0.000 0.285 395 I C 0.620 176.715 176.117 -0.037 0.000 1.168 395 I CA -0.433 60.829 61.300 -0.063 0.000 1.424 395 I CB 0.367 38.304 38.000 -0.105 0.000 1.377 395 I HN 0.287 nan 8.210 nan 0.000 0.560 396 c N 7.931 126.520 118.600 -0.019 0.000 2.383 396 c HA 0.257 4.822 4.570 -0.009 0.000 0.350 396 c C 1.148 175.222 174.090 -0.026 0.000 1.173 396 c CA -0.598 55.720 56.329 -0.018 0.000 1.645 396 c CB -1.504 41.001 42.510 -0.007 0.000 2.221 396 c HN 0.863 nan 8.230 nan 0.000 0.528 397 T N 5.078 119.610 114.554 -0.037 0.000 2.868 397 T HA 0.405 4.750 4.350 -0.009 0.000 0.292 397 T C -2.587 172.084 174.700 -0.049 0.000 1.028 397 T CA -1.351 60.719 62.100 -0.049 0.000 1.059 397 T CB 0.701 69.534 68.868 -0.058 0.000 0.991 397 T HN 0.520 nan 8.240 nan 0.000 0.531 398 P HA 0.271 nan 4.420 nan 0.000 0.262 398 P C 0.126 177.396 177.300 -0.050 0.000 1.182 398 P CA -0.062 63.002 63.100 -0.061 0.000 0.761 398 P CB 0.019 31.664 31.700 -0.092 0.000 0.795 410 c N 0.864 119.456 118.600 -0.014 0.000 2.529 410 c HA 0.972 5.536 4.570 -0.009 0.000 0.329 410 c C 1.344 175.420 174.090 -0.022 0.000 1.194 410 c CA 0.184 56.502 56.329 -0.019 0.000 1.779 410 c CB 1.437 43.937 42.510 -0.017 0.000 2.322 410 c HN 1.101 nan 8.230 nan 0.000 0.500 411 G N 1.452 110.234 108.800 -0.028 0.000 2.535 411 G HA2 0.542 4.497 3.960 -0.009 0.000 0.282 411 G HA3 0.542 4.497 3.960 -0.009 0.000 0.282 411 G C -2.747 172.134 174.900 -0.031 0.000 1.350 411 G CA -0.577 44.504 45.100 -0.031 0.000 1.039 411 G HN 0.554 nan 8.290 nan 0.000 0.509 412 P HA 0.306 nan 4.420 nan 0.000 0.268 412 P C -0.076 177.201 177.300 -0.038 0.000 1.208 412 P CA 0.036 63.115 63.100 -0.034 0.000 0.777 412 P CB 0.593 32.270 31.700 -0.039 0.000 0.875 413 A N 2.691 125.490 122.820 -0.034 0.000 2.386 413 A HA 0.245 4.560 4.320 -0.009 0.000 0.248 413 A C 0.045 177.605 177.584 -0.040 0.000 1.082 413 A CA -0.441 51.575 52.037 -0.035 0.000 0.789 413 A CB -0.034 18.951 19.000 -0.026 0.000 1.025 413 A HN 0.397 nan 8.150 nan 0.000 0.490 414 V N 1.764 121.652 119.914 -0.044 0.000 2.694 414 V HA 0.112 4.227 4.120 -0.009 0.000 0.306 414 V C 1.265 177.349 176.094 -0.016 0.000 1.054 414 V CA 0.674 62.951 62.300 -0.038 0.000 1.161 414 V CB 0.933 32.725 31.823 -0.051 0.000 0.916 414 V HN 0.977 nan 8.190 nan 0.000 0.490 415 T N 3.147 117.697 114.554 -0.007 0.000 2.856 415 T HA 0.296 4.641 4.350 -0.009 0.000 0.292 415 T C 0.888 175.661 174.700 0.122 0.000 0.980 415 T CA 0.136 62.248 62.100 0.019 0.000 1.091 415 T CB 0.855 69.694 68.868 -0.048 0.000 0.936 415 T HN 1.021 nan 8.240 nan 0.000 0.503 416 T N 1.330 115.936 114.554 0.086 0.000 3.040 416 T HA 0.269 4.614 4.350 -0.009 0.000 0.266 416 T C 0.347 175.072 174.700 0.041 0.000 1.005 416 T CA -0.292 61.849 62.100 0.068 0.000 0.906 416 T CB 0.026 68.924 68.868 0.051 0.000 1.082 416 T HN 0.365 nan 8.240 nan 0.000 0.531 417 V N 2.402 122.355 119.914 0.065 0.000 2.439 417 V HA 0.536 4.651 4.120 -0.009 0.000 0.271 417 V C 1.610 177.733 176.094 0.048 0.000 1.040 417 V CA 0.868 63.183 62.300 0.024 0.000 1.002 417 V CB -0.133 31.693 31.823 0.006 0.000 1.000 417 V HN 0.829 nan 8.190 nan 0.000 0.477 418 G N 4.432 113.204 108.800 -0.046 0.000 2.159 418 G HA2 -0.229 3.726 3.960 -0.009 0.000 0.256 418 G HA3 -0.229 3.726 3.960 -0.009 0.000 0.256 418 G C -0.102 174.672 174.900 -0.210 0.000 0.977 418 G CA 0.177 45.213 45.100 -0.106 0.000 0.652 418 G HN 0.830 nan 8.290 nan 0.000 0.531 419 L N 1.313 122.326 121.223 -0.350 0.000 2.385 419 L HA 0.684 5.019 4.340 -0.009 0.000 0.281 419 L C 1.333 177.743 176.870 -0.766 0.000 1.106 419 L CA 0.642 54.980 54.840 -0.838 0.000 0.856 419 L CB 1.438 43.013 42.059 -0.807 0.000 1.186 419 L HN 0.256 nan 8.230 nan 0.000 0.453 420 V N 4.784 124.297 119.914 -0.668 0.000 2.795 420 V HA 0.540 4.655 4.120 -0.009 0.000 0.243 420 V C 0.875 176.754 176.094 -0.358 0.000 1.069 420 V CA 1.003 62.990 62.300 -0.522 0.000 1.089 420 V CB 0.350 31.971 31.823 -0.336 0.000 0.756 420 V HN 0.865 nan 8.190 nan 0.000 0.471 421 G N -1.173 107.499 108.800 -0.213 0.000 2.660 421 G HA2 0.589 4.544 3.960 -0.009 0.000 0.294 421 G HA3 0.589 4.544 3.960 -0.009 0.000 0.294 421 G C -1.888 173.310 174.900 0.496 0.000 1.369 421 G CA -0.505 44.779 45.100 0.306 0.000 0.912 421 G HN 0.141 nan 8.290 nan 0.000 0.479 422 F N 1.555 121.715 119.950 0.351 0.000 2.839 422 F HA 0.465 4.987 4.527 -0.008 0.000 0.344 422 F C -1.376 174.285 175.800 -0.232 0.000 1.242 422 F CA -1.093 56.934 58.000 0.045 0.000 1.091 422 F CB 1.234 40.291 39.000 0.093 0.000 1.374 422 F HN 0.277 nan 8.300 nan 0.000 0.553 423 L N 6.154 127.087 121.223 -0.483 0.000 2.272 423 L HA 0.512 4.846 4.340 -0.009 0.000 0.289 423 L C 0.036 176.433 176.870 -0.789 0.000 1.032 423 L CA -0.091 54.100 54.840 -1.081 0.000 0.810 423 L CB 1.524 42.323 42.059 -2.100 0.000 1.205 423 L HN 0.673 nan 8.230 nan 0.000 0.422 424 S N 0.340 115.727 115.700 -0.522 0.000 4.174 424 S HA 0.119 4.583 4.470 -0.009 0.000 0.210 424 S C 0.992 175.660 174.600 0.113 0.000 1.163 424 S CA -0.048 57.992 58.200 -0.267 0.000 1.560 424 S CB 0.120 62.774 63.200 -0.909 0.000 1.473 424 S HN 0.788 nan 8.310 nan 0.000 0.742 425 H N 1.342 120.342 119.070 -0.116 0.000 2.428 425 H HA 0.427 4.978 4.556 -0.009 0.000 0.296 425 H C 0.383 175.706 175.328 -0.010 0.000 1.062 425 H CA 1.524 57.551 56.048 -0.035 0.000 1.350 425 H CB -0.211 29.521 29.762 -0.050 0.000 1.403 425 H HN 0.226 nan 8.280 nan 0.000 0.533 426 S N 0.485 116.196 115.700 0.017 0.000 2.510 426 S HA 0.544 5.009 4.470 -0.009 0.000 0.279 426 S C -0.455 174.170 174.600 0.040 0.000 1.284 426 S CA 0.100 58.305 58.200 0.008 0.000 1.059 426 S CB 0.808 64.032 63.200 0.040 0.000 0.901 426 S HN 0.580 nan 8.310 nan 0.000 0.491 427 A N 2.804 125.600 122.820 -0.041 0.000 2.594 427 A HA 0.735 5.050 4.320 -0.009 0.000 0.296 427 A C -0.030 177.517 177.584 -0.061 0.000 1.061 427 A CA -0.890 51.125 52.037 -0.038 0.000 0.689 427 A CB 0.999 19.880 19.000 -0.198 0.000 1.280 427 A HN 0.707 nan 8.150 nan 0.000 0.406 428 T N -1.223 113.315 114.554 -0.027 0.000 2.876 428 T HA 0.506 4.850 4.350 -0.009 0.000 0.277 428 T C 1.071 175.742 174.700 -0.047 0.000 0.997 428 T CA 0.100 62.183 62.100 -0.027 0.000 0.966 428 T CB 0.872 69.744 68.868 0.008 0.000 1.312 428 T HN 0.649 nan 8.240 nan 0.000 0.598 429 K N 0.381 120.760 120.400 -0.035 0.000 2.147 429 K HA -0.063 4.252 4.320 -0.009 0.000 0.205 429 K C 1.850 178.434 176.600 -0.026 0.000 1.049 429 K CA 2.257 58.519 56.287 -0.041 0.000 0.936 429 K CB -0.811 31.673 32.500 -0.026 0.000 0.722 429 K HN 0.841 nan 8.250 nan 0.000 0.446 430 T N -3.457 111.098 114.554 0.002 0.000 3.043 430 T HA 0.310 4.654 4.350 -0.009 0.000 0.272 430 T C -0.098 174.638 174.700 0.059 0.000 0.990 430 T CA -0.666 61.452 62.100 0.029 0.000 0.897 430 T CB 0.230 69.118 68.868 0.034 0.000 1.111 430 T HN 0.069 nan 8.240 nan 0.000 0.529 431 E N 0.031 120.267 120.200 0.060 0.000 2.340 431 E HA 0.397 4.742 4.350 -0.009 0.000 0.273 431 E C -1.970 174.722 176.600 0.154 0.000 0.891 431 E CA -0.925 55.544 56.400 0.115 0.000 0.757 431 E CB 1.855 31.622 29.700 0.111 0.000 1.231 431 E HN 0.209 nan 8.360 nan 0.000 0.439 432 W N 2.972 124.250 121.300 -0.036 0.000 2.376 432 W HA 0.292 4.948 4.660 -0.008 0.000 0.312 432 W C -0.618 175.840 176.519 -0.103 0.000 1.060 432 W CA -0.970 56.318 57.345 -0.095 0.000 1.221 432 W CB 0.756 30.143 29.460 -0.122 0.000 1.281 432 W HN 0.509 nan 8.180 nan 0.000 0.456 433 E N 2.973 123.301 120.200 0.214 0.000 2.283 433 E HA 0.019 4.364 4.350 -0.009 0.000 0.278 433 E C -0.592 175.986 176.600 -0.036 0.000 1.027 433 E CA -0.526 55.924 56.400 0.083 0.000 0.843 433 E CB 1.145 30.903 29.700 0.096 0.000 1.062 433 E HN 0.176 nan 8.360 nan 0.000 0.401 434 D N 1.980 122.417 120.400 0.063 0.000 2.401 434 D HA 0.044 4.678 4.640 -0.009 0.000 0.254 434 D C 0.620 176.980 176.300 0.100 0.000 1.192 434 D CA 0.059 54.141 54.000 0.137 0.000 0.885 434 D CB 1.231 42.268 40.800 0.395 0.000 1.147 434 D HN 0.503 nan 8.370 nan 0.000 0.478 435 A N 3.964 126.734 122.820 -0.085 0.000 2.019 435 A HA -0.205 4.109 4.320 -0.009 0.000 0.219 435 A C 1.471 179.028 177.584 -0.045 0.000 1.164 435 A CA 1.120 52.973 52.037 -0.305 0.000 0.644 435 A CB -0.677 17.740 19.000 -0.972 0.000 0.805 435 A HN 0.745 nan 8.150 nan 0.000 0.449 436 Y N -1.336 119.149 120.300 0.308 0.000 2.490 436 Y HA 0.176 4.721 4.550 -0.008 0.000 0.281 436 Y C 0.998 177.268 175.900 0.617 0.000 1.174 436 Y CA 0.519 58.911 58.100 0.487 0.000 1.295 436 Y CB 0.028 38.613 38.460 0.209 0.000 1.062 436 Y HN 0.351 nan 8.280 nan 0.000 0.522 437 R N -2.879 117.941 120.500 0.534 0.000 3.951 437 R HA -0.267 4.067 4.340 -0.009 0.000 0.352 437 R C 0.686 177.363 176.300 0.627 0.000 1.178 437 R CA 0.789 57.188 56.100 0.497 0.000 0.949 437 R CB -2.615 27.918 30.300 0.388 0.000 1.452 437 R HN 0.429 nan 8.270 nan 0.000 0.540 438 C N -1.079 118.584 119.300 0.605 0.000 2.469 438 C HA 0.251 4.706 4.460 -0.009 0.000 0.309 438 C C 0.877 176.066 174.990 0.331 0.000 1.385 438 C CA 0.304 59.642 59.018 0.533 0.000 1.890 438 C CB 0.711 28.768 27.740 0.528 0.000 2.245 438 C HN 0.243 nan 8.230 nan 0.000 0.530 439 V N 2.976 123.111 119.914 0.368 0.000 2.532 439 V HA 0.351 4.465 4.120 -0.009 0.000 0.294 439 V C -1.250 175.153 176.094 0.516 0.000 1.036 439 V CA -0.509 61.973 62.300 0.303 0.000 0.876 439 V CB 1.241 33.067 31.823 0.006 0.000 1.012 439 V HN 0.350 nan 8.190 nan 0.000 0.432 440 N N 2.442 121.346 118.700 0.339 0.000 2.445 440 N HA 0.701 5.435 4.740 -0.009 0.000 0.264 440 N C 0.085 175.759 175.510 0.275 0.000 1.227 440 N CA -0.155 53.048 53.050 0.256 0.000 0.963 440 N CB 1.618 40.215 38.487 0.183 0.000 1.188 440 N HN 0.852 nan 8.380 nan 0.000 0.491 441 A N -0.010 122.867 122.820 0.095 0.000 2.312 441 A HA 0.541 4.856 4.320 -0.009 0.000 0.326 441 A C 0.119 177.821 177.584 0.196 0.000 1.172 441 A CA -0.671 51.454 52.037 0.146 0.000 0.821 441 A CB 0.238 19.215 19.000 -0.038 0.000 1.166 441 A HN 0.649 nan 8.150 nan 0.000 0.493 442 S N 1.097 116.909 115.700 0.187 0.000 2.601 442 S HA 0.694 5.159 4.470 -0.009 0.000 0.271 442 S C 0.236 174.941 174.600 0.175 0.000 1.305 442 S CA 0.200 58.491 58.200 0.151 0.000 1.022 442 S CB 1.018 64.281 63.200 0.106 0.000 0.940 442 S HN 1.455 nan 8.310 nan 0.000 0.525 443 T N -2.216 112.430 114.554 0.152 0.000 2.901 443 T HA 0.852 5.197 4.350 -0.009 0.000 0.293 443 T C -0.732 174.048 174.700 0.134 0.000 1.084 443 T CA -0.765 61.447 62.100 0.186 0.000 1.008 443 T CB 1.492 70.471 68.868 0.185 0.000 1.170 443 T HN 1.448 nan 8.240 nan 0.000 0.509 444 A N 1.298 124.220 122.820 0.169 0.000 2.520 444 A HA 0.738 5.053 4.320 -0.009 0.000 0.298 444 A C -0.207 177.475 177.584 0.164 0.000 1.051 444 A CA -0.967 51.143 52.037 0.121 0.000 0.690 444 A CB 0.688 19.742 19.000 0.091 0.000 1.281 444 A HN 1.007 nan 8.150 nan 0.000 0.402 445 N N -1.193 117.564 118.700 0.094 0.000 2.727 445 N HA -0.166 4.569 4.740 -0.009 0.000 0.249 445 N C -0.155 175.395 175.510 0.067 0.000 1.048 445 N CA 1.380 54.479 53.050 0.082 0.000 0.714 445 N CB -1.260 37.293 38.487 0.110 0.000 0.959 445 N HN 1.470 nan 8.380 nan 0.000 0.544 446 A N -0.105 122.695 122.820 -0.033 0.000 2.330 446 A HA 0.646 4.961 4.320 -0.009 0.000 0.327 446 A C 0.056 177.460 177.584 -0.301 0.000 1.155 446 A CA -0.615 51.248 52.037 -0.291 0.000 0.803 446 A CB 1.452 20.221 19.000 -0.385 0.000 1.208 446 A HN 0.248 nan 8.150 nan 0.000 0.477 447 E N 2.101 122.074 120.200 -0.380 0.000 2.187 447 E HA 0.396 4.741 4.350 -0.009 0.000 0.268 447 E C -0.540 175.840 176.600 -0.366 0.000 0.896 447 E CA -0.714 55.512 56.400 -0.289 0.000 0.766 447 E CB 0.919 30.489 29.700 -0.218 0.000 1.142 447 E HN 0.663 nan 8.360 nan 0.000 0.408 448 R N 1.928 122.240 120.500 -0.314 0.000 2.537 448 R HA 0.223 4.557 4.340 -0.009 0.000 0.280 448 R C 0.037 176.179 176.300 -0.264 0.000 1.058 448 R CA -0.107 55.789 56.100 -0.340 0.000 1.057 448 R CB 0.710 30.827 30.300 -0.305 0.000 0.973 448 R HN 0.416 nan 8.270 nan 0.000 0.438 449 V N 0.213 119.970 119.914 -0.261 0.000 3.160 449 V HA 0.550 4.664 4.120 -0.009 0.000 0.310 449 V C -2.677 173.381 176.094 -0.060 0.000 1.181 449 V CA -3.228 58.990 62.300 -0.137 0.000 1.047 449 V CB 2.060 33.816 31.823 -0.111 0.000 1.068 449 V HN 0.525 nan 8.190 nan 0.000 0.441 450 P HA 0.225 nan 4.420 nan 0.000 0.261 450 P C -0.076 177.365 177.300 0.236 0.000 1.183 450 P CA 0.752 64.002 63.100 0.250 0.000 0.761 450 P CB -0.092 31.690 31.700 0.137 0.000 0.785 451 N N 1.057 120.022 118.700 0.441 0.000 2.741 451 N HA -0.170 4.565 4.740 -0.009 0.000 0.251 451 N C 0.542 176.173 175.510 0.202 0.000 1.112 451 N CA 1.768 54.968 53.050 0.250 0.000 0.750 451 N CB -1.451 37.151 38.487 0.190 0.000 1.119 451 N HN 0.705 nan 8.380 nan 0.000 0.561 452 G N -1.379 107.467 108.800 0.077 0.000 2.364 452 G HA2 0.576 4.530 3.960 -0.009 0.000 0.286 452 G HA3 0.576 4.530 3.960 -0.009 0.000 0.286 452 G C -1.811 172.806 174.900 -0.471 0.000 1.241 452 G CA -0.713 44.393 45.100 0.010 0.000 0.887 452 G HN 0.085 nan 8.290 nan 0.000 0.484 453 L N 0.176 120.968 121.223 -0.719 0.000 2.409 453 L HA 0.641 4.976 4.340 -0.009 0.000 0.262 453 L C -0.484 175.866 176.870 -0.867 0.000 0.992 453 L CA -0.883 53.350 54.840 -1.011 0.000 0.817 453 L CB 2.678 43.725 42.059 -1.687 0.000 1.350 453 L HN 0.593 nan 8.230 nan 0.000 0.411 454 K N 2.055 122.007 120.400 -0.747 0.000 2.274 454 K HA 0.629 4.944 4.320 -0.009 0.000 0.262 454 K C -1.626 174.656 176.600 -0.530 0.000 0.961 454 K CA -0.363 55.669 56.287 -0.424 0.000 0.833 454 K CB 1.073 33.451 32.500 -0.205 0.000 1.102 454 K HN 0.290 nan 8.250 nan 0.000 0.436 455 F N 1.940 121.880 119.950 -0.016 0.000 2.507 455 F HA 0.752 5.273 4.527 -0.009 0.000 0.327 455 F C 0.108 175.925 175.800 0.029 0.000 1.068 455 F CA -0.720 57.273 58.000 -0.011 0.000 0.965 455 F CB 2.338 41.340 39.000 0.003 0.000 1.192 455 F HN 0.595 nan 8.300 nan 0.000 0.476 456 A N 1.079 124.032 122.820 0.221 0.000 2.594 456 A HA 0.755 5.069 4.320 -0.009 0.000 0.296 456 A C -0.499 177.153 177.584 0.112 0.000 1.061 456 A CA -0.232 51.892 52.037 0.144 0.000 0.689 456 A CB 1.183 20.236 19.000 0.087 0.000 1.280 456 A HN 1.852 nan 8.150 nan 0.000 0.406 457 G N -0.531 108.325 108.800 0.093 0.000 2.675 457 G HA2 0.341 4.296 3.960 -0.009 0.000 0.686 457 G HA3 0.341 4.296 3.960 -0.009 0.000 0.686 457 G C -0.395 174.545 174.900 0.066 0.000 1.215 457 G CA -0.511 44.630 45.100 0.069 0.000 0.777 457 G HN 1.865 nan 8.290 nan 0.000 0.638 458 V N 2.031 121.977 119.914 0.053 0.000 2.720 458 V HA 0.362 4.476 4.120 -0.009 0.000 0.307 458 V C 2.081 178.208 176.094 0.054 0.000 1.071 458 V CA 2.287 64.618 62.300 0.051 0.000 1.199 458 V CB 0.605 32.452 31.823 0.040 0.000 0.900 458 V HN 2.858 nan 8.190 nan 0.000 0.494 459 G N 3.297 112.134 108.800 0.062 0.000 2.199 459 G HA2 -0.154 3.800 3.960 -0.009 0.000 0.254 459 G HA3 -0.154 3.800 3.960 -0.009 0.000 0.254 459 G C 0.549 175.490 174.900 0.068 0.000 0.982 459 G CA -0.004 45.133 45.100 0.061 0.000 0.632 459 G HN 1.410 nan 8.290 nan 0.000 0.529 460 G N -0.473 108.371 108.800 0.073 0.000 2.539 460 G HA2 0.797 4.752 3.960 -0.009 0.000 0.258 460 G HA3 0.797 4.752 3.960 -0.009 0.000 0.258 460 G C 0.617 175.515 174.900 -0.004 0.000 1.202 460 G CA 0.974 46.134 45.100 0.100 0.000 0.851 460 G HN 1.880 nan 8.290 nan 0.000 0.556 461 G N -1.444 107.311 108.800 -0.076 0.000 2.347 461 G HA2 0.556 4.511 3.960 -0.009 0.000 0.341 461 G HA3 0.556 4.511 3.960 -0.009 0.000 0.341 461 G C -0.779 173.981 174.900 -0.234 0.000 1.287 461 G CA -0.006 44.750 45.100 -0.573 0.000 0.984 461 G HN 1.934 nan 8.290 nan 0.000 0.526 462 A N -0.958 121.748 122.820 -0.189 0.000 2.413 462 A HA 0.915 5.229 4.320 -0.009 0.000 0.307 462 A C -0.924 176.784 177.584 0.207 0.000 1.087 462 A CA -0.382 51.756 52.037 0.169 0.000 0.750 462 A CB 1.937 21.217 19.000 0.467 0.000 1.296 462 A HN 2.007 nan 8.150 nan 0.000 0.423 463 L N 1.407 122.767 121.223 0.228 0.000 2.372 463 L HA 0.607 4.941 4.340 -0.009 0.000 0.274 463 L C -1.775 175.311 176.870 0.360 0.000 0.988 463 L CA -0.408 54.587 54.840 0.257 0.000 0.833 463 L CB 1.111 43.206 42.059 0.061 0.000 1.236 463 L HN 0.793 nan 8.230 nan 0.000 0.410 464 W N 9.022 130.478 121.300 0.260 0.000 2.282 464 W HA 0.459 5.114 4.660 -0.008 0.000 0.322 464 W C -2.346 174.327 176.519 0.257 0.000 1.011 464 W CA -2.849 54.662 57.345 0.276 0.000 1.392 464 W CB 0.902 30.575 29.460 0.355 0.000 1.215 464 W HN 0.309 nan 8.180 nan 0.000 0.394 465 P HA 0.063 nan 4.420 nan 0.000 0.271 465 P C 0.020 177.299 177.300 -0.035 0.000 1.216 465 P CA 0.301 63.477 63.100 0.127 0.000 0.776 465 P CB 2.408 34.149 31.700 0.067 0.000 0.881 466 V N 2.511 122.351 119.914 -0.123 0.000 4.255 466 V HA -0.045 4.070 4.120 -0.009 0.000 0.186 466 V C 2.512 178.493 176.094 -0.188 0.000 1.068 466 V CA 1.451 63.604 62.300 -0.244 0.000 1.418 466 V CB -1.197 30.338 31.823 -0.479 0.000 1.876 466 V HN 0.618 nan 8.190 nan 0.000 0.469 467 S N -0.133 115.467 115.700 -0.168 0.000 2.447 467 S HA -0.214 4.251 4.470 -0.009 0.000 0.233 467 S C 1.648 176.207 174.600 -0.068 0.000 1.006 467 S CA 1.358 59.495 58.200 -0.106 0.000 0.957 467 S CB -0.535 62.612 63.200 -0.089 0.000 0.773 467 S HN 0.590 nan 8.310 nan 0.000 0.507 468 Q N 0.747 120.518 119.800 -0.048 0.000 2.439 468 Q HA -0.059 4.275 4.340 -0.009 0.000 0.211 468 Q C 2.019 178.002 176.000 -0.029 0.000 0.978 468 Q CA 0.822 56.611 55.803 -0.024 0.000 0.897 468 Q CB -0.302 28.436 28.738 -0.001 0.000 0.956 468 Q HN 0.755 nan 8.270 nan 0.000 0.483 469 Q N -0.488 119.277 119.800 -0.059 0.000 2.291 469 Q HA -0.093 4.241 4.340 -0.009 0.000 0.206 469 Q C 1.069 177.057 176.000 -0.020 0.000 0.976 469 Q CA 0.704 56.474 55.803 -0.054 0.000 0.875 469 Q CB 0.096 28.758 28.738 -0.127 0.000 0.927 469 Q HN 0.495 nan 8.270 nan 0.000 0.450 470 G N 0.602 109.385 108.800 -0.028 0.000 2.603 470 G HA2 -0.437 3.518 3.960 -0.009 0.000 0.245 470 G HA3 -0.437 3.518 3.960 -0.009 0.000 0.245 470 G C 0.384 175.280 174.900 -0.006 0.000 1.195 470 G CA 0.265 45.358 45.100 -0.012 0.000 0.953 470 G HN 0.342 nan 8.290 nan 0.000 0.566 471 Q N 0.734 120.554 119.800 0.033 0.000 2.084 471 Q HA -0.027 4.308 4.340 -0.009 0.000 0.202 471 Q C 0.793 176.801 176.000 0.013 0.000 0.978 471 Q CA 1.820 57.653 55.803 0.050 0.000 0.844 471 Q CB -0.189 28.628 28.738 0.132 0.000 0.898 471 Q HN 0.623 nan 8.270 nan 0.000 0.426 472 N N 0.871 119.589 118.700 0.029 0.000 2.446 472 N HA 0.215 4.950 4.740 -0.009 0.000 0.265 472 N C -1.652 173.746 175.510 -0.187 0.000 0.975 472 N CA -0.242 52.742 53.050 -0.112 0.000 0.928 472 N CB 1.629 40.127 38.487 0.018 0.000 1.160 472 N HN 0.088 nan 8.380 nan 0.000 0.495 473 Q N 1.764 121.375 119.800 -0.316 0.000 2.571 473 Q HA 0.250 4.585 4.340 -0.009 0.000 0.243 473 Q C 0.322 176.129 176.000 -0.322 0.000 1.055 473 Q CA -0.320 55.330 55.803 -0.256 0.000 0.815 473 Q CB 1.147 29.794 28.738 -0.152 0.000 1.151 473 Q HN 0.477 nan 8.270 nan 0.000 0.519 474 R N 0.465 120.763 120.500 -0.336 0.000 2.237 474 R HA -0.074 4.260 4.340 -0.009 0.000 0.219 474 R C 0.609 176.902 176.300 -0.012 0.000 1.080 474 R CA 1.158 57.103 56.100 -0.258 0.000 0.995 474 R CB 0.280 30.451 30.300 -0.215 0.000 0.875 474 R HN 0.576 nan 8.270 nan 0.000 0.462 475 Y N -1.316 118.779 120.300 -0.342 0.000 2.658 475 Y HA 0.050 4.595 4.550 -0.009 0.000 0.276 475 Y C 1.449 176.831 175.900 -0.863 0.000 1.167 475 Y CA -0.603 57.041 58.100 -0.761 0.000 1.230 475 Y CB 0.216 38.273 38.460 -0.672 0.000 1.144 475 Y HN 0.179 nan 8.280 nan 0.000 0.529 476 H N 0.892 119.738 119.070 -0.373 0.000 2.457 476 H HA -0.241 4.309 4.556 -0.010 0.000 0.297 476 H C 1.867 177.081 175.328 -0.189 0.000 1.092 476 H CA 2.171 58.055 56.048 -0.273 0.000 1.309 476 H CB -0.329 29.309 29.762 -0.207 0.000 1.382 476 H HN 0.519 nan 8.280 nan 0.000 0.535 477 F N -1.083 118.905 119.950 0.062 0.000 2.250 477 F HA -0.074 4.448 4.527 -0.008 0.000 0.301 477 F C 2.377 178.231 175.800 0.090 0.000 1.077 477 F CA 0.663 58.715 58.000 0.087 0.000 1.348 477 F CB -0.862 38.149 39.000 0.019 0.000 1.040 477 F HN 0.175 nan 8.300 nan 0.000 0.509 478 A N 1.159 123.639 122.820 -0.566 0.000 2.070 478 A HA -0.162 4.153 4.320 -0.009 0.000 0.220 478 A C 1.907 179.495 177.584 0.006 0.000 1.159 478 A CA 1.460 53.407 52.037 -0.150 0.000 0.656 478 A CB -0.871 17.808 19.000 -0.536 0.000 0.800 478 A HN 0.530 nan 8.150 nan 0.000 0.453 479 N N -0.623 117.938 118.700 -0.231 0.000 2.512 479 N HA -0.086 4.649 4.740 -0.009 0.000 0.183 479 N C 1.050 176.317 175.510 -0.404 0.000 1.073 479 N CA 0.984 53.831 53.050 -0.337 0.000 0.911 479 N CB -0.226 37.917 38.487 -0.574 0.000 0.964 479 N HN 0.683 nan 8.380 nan 0.000 0.447 480 H N -0.663 118.434 119.070 0.046 0.000 2.426 480 H HA 0.460 5.012 4.556 -0.008 0.000 0.286 480 H C 0.362 175.751 175.328 0.102 0.000 0.990 480 H CA 0.452 56.544 56.048 0.074 0.000 1.237 480 H CB 0.993 30.804 29.762 0.081 0.000 1.466 480 H HN 0.058 nan 8.280 nan 0.000 0.525 481 A N 0.677 123.678 122.820 0.301 0.000 2.577 481 A HA 0.510 4.825 4.320 -0.009 0.000 0.297 481 A C -1.671 176.140 177.584 0.378 0.000 1.060 481 A CA -0.593 51.563 52.037 0.199 0.000 0.697 481 A CB 1.151 20.212 19.000 0.102 0.000 1.281 481 A HN 0.240 nan 8.150 nan 0.000 0.402 482 F N -1.286 118.748 119.950 0.140 0.000 2.741 482 F HA 0.871 5.392 4.527 -0.009 0.000 0.313 482 F C -0.756 175.079 175.800 0.058 0.000 1.153 482 F CA -0.680 57.413 58.000 0.155 0.000 0.931 482 F CB 1.330 40.468 39.000 0.231 0.000 1.335 482 F HN 0.434 nan 8.300 nan 0.000 0.460 483 T N 2.810 117.499 114.554 0.225 0.000 2.881 483 T HA 0.632 4.977 4.350 -0.009 0.000 0.290 483 T C -1.843 173.013 174.700 0.260 0.000 1.000 483 T CA -0.398 61.762 62.100 0.099 0.000 0.978 483 T CB 1.615 70.460 68.868 -0.038 0.000 0.997 483 T HN 0.776 nan 8.240 nan 0.000 0.443 484 L N 4.663 126.008 121.223 0.203 0.000 2.356 484 L HA 0.818 5.152 4.340 -0.009 0.000 0.277 484 L C -1.234 175.637 176.870 0.001 0.000 0.996 484 L CA -0.506 54.354 54.840 0.034 0.000 0.822 484 L CB 1.438 43.434 42.059 -0.105 0.000 1.256 484 L HN 0.476 nan 8.230 nan 0.000 0.413 485 V N 4.113 124.026 119.914 -0.002 0.000 2.735 485 V HA 1.014 5.129 4.120 -0.009 0.000 0.310 485 V C -0.245 175.811 176.094 -0.065 0.000 1.061 485 V CA -0.132 62.130 62.300 -0.064 0.000 0.913 485 V CB 1.408 33.244 31.823 0.022 0.000 1.005 485 V HN 1.025 nan 8.190 nan 0.000 0.428 486 A N 2.583 125.317 122.820 -0.143 0.000 2.612 486 A HA 0.834 5.149 4.320 -0.009 0.000 0.293 486 A C -0.795 176.771 177.584 -0.031 0.000 1.075 486 A CA -0.546 51.473 52.037 -0.031 0.000 0.680 486 A CB 1.879 20.884 19.000 0.008 0.000 1.279 486 A HN 0.631 nan 8.150 nan 0.000 0.411 487 S N -0.058 115.707 115.700 0.108 0.000 2.489 487 S HA 0.694 5.159 4.470 -0.009 0.000 0.291 487 S C -0.155 174.528 174.600 0.138 0.000 1.151 487 S CA -0.185 58.111 58.200 0.159 0.000 1.082 487 S CB 1.193 64.520 63.200 0.211 0.000 1.019 487 S HN 1.798 nan 8.310 nan 0.000 0.492 488 V N 0.767 120.761 119.914 0.134 0.000 2.962 488 V HA 0.912 5.027 4.120 -0.009 0.000 0.313 488 V C -0.666 175.482 176.094 0.090 0.000 1.099 488 V CA -0.547 61.812 62.300 0.098 0.000 0.971 488 V CB 1.990 33.844 31.823 0.052 0.000 1.028 488 V HN 0.696 nan 8.190 nan 0.000 0.430 489 T N 4.266 118.798 114.554 -0.037 0.000 2.921 489 T HA 0.657 5.001 4.350 -0.009 0.000 0.297 489 T C -0.614 173.810 174.700 -0.461 0.000 1.013 489 T CA -0.157 61.855 62.100 -0.147 0.000 0.990 489 T CB 1.388 70.178 68.868 -0.130 0.000 1.023 489 T HN 0.715 nan 8.240 nan 0.000 0.447 490 I N 3.213 123.508 120.570 -0.458 0.000 2.331 490 I HA 0.314 4.479 4.170 -0.009 0.000 0.292 490 I C 0.910 176.784 176.117 -0.406 0.000 0.998 490 I CA -0.677 60.254 61.300 -0.616 0.000 1.267 490 I CB 1.131 38.546 38.000 -0.975 0.000 1.386 490 I HN 0.760 nan 8.210 nan 0.000 0.476 491 H N 4.218 123.273 119.070 -0.025 0.000 2.654 491 H HA 0.352 4.902 4.556 -0.009 0.000 0.264 491 H C -0.223 175.160 175.328 0.092 0.000 0.954 491 H CA 0.334 56.412 56.048 0.050 0.000 1.199 491 H CB 0.717 30.503 29.762 0.039 0.000 1.446 491 H HN 0.547 nan 8.280 nan 0.000 0.516 492 E N 0.805 121.123 120.200 0.196 0.000 2.331 492 E HA 0.296 4.641 4.350 -0.009 0.000 0.275 492 E C -0.833 175.912 176.600 0.242 0.000 0.895 492 E CA -0.695 55.826 56.400 0.202 0.000 0.753 492 E CB 3.637 33.439 29.700 0.170 0.000 1.216 492 E HN -0.189 nan 8.360 nan 0.000 0.434 493 V N 3.831 123.883 119.914 0.230 0.000 2.555 493 V HA 0.157 4.272 4.120 -0.009 0.000 0.286 493 V C -1.724 174.470 176.094 0.166 0.000 1.044 493 V CA -0.950 61.486 62.300 0.226 0.000 1.026 493 V CB 0.276 32.143 31.823 0.074 0.000 0.981 493 V HN 0.552 nan 8.190 nan 0.000 0.480 494 P HA 0.316 nan 4.420 nan 0.000 0.278 494 P C 0.296 177.602 177.300 0.010 0.000 1.258 494 P CA -0.642 62.486 63.100 0.045 0.000 0.811 494 P CB 1.252 32.879 31.700 -0.121 0.000 1.063 495 K N -0.064 120.335 120.400 -0.003 0.000 2.148 495 K HA 0.021 4.336 4.320 -0.009 0.000 0.204 495 K C 1.445 178.034 176.600 -0.018 0.000 1.050 495 K CA 1.623 57.908 56.287 -0.003 0.000 0.942 495 K CB -0.215 32.286 32.500 0.001 0.000 0.724 495 K HN 0.666 nan 8.250 nan 0.000 0.446 496 G N -0.002 108.773 108.800 -0.043 0.000 3.190 496 G HA2 0.532 4.486 3.960 -0.009 0.000 0.191 496 G HA3 0.532 4.486 3.960 -0.009 0.000 0.191 496 G C -1.434 173.416 174.900 -0.082 0.000 1.523 496 G CA 0.038 45.111 45.100 -0.045 0.000 0.842 496 G HN 0.200 nan 8.290 nan 0.000 0.782 497 A N -0.292 122.468 122.820 -0.100 0.000 2.331 497 A HA 0.807 5.121 4.320 -0.009 0.000 0.320 497 A C -0.561 176.876 177.584 -0.245 0.000 1.138 497 A CA -0.273 51.668 52.037 -0.160 0.000 0.790 497 A CB 1.599 20.558 19.000 -0.069 0.000 1.206 497 A HN 0.633 nan 8.150 nan 0.000 0.470 498 S N 2.933 118.323 115.700 -0.517 0.000 2.542 498 S HA 0.763 5.228 4.470 -0.009 0.000 0.293 498 S C -2.883 171.458 174.600 -0.431 0.000 1.089 498 S CA -1.125 56.770 58.200 -0.509 0.000 0.961 498 S CB 2.042 64.859 63.200 -0.637 0.000 1.062 498 S HN 0.668 nan 8.310 nan 0.000 0.483 499 P HA 0.297 nan 4.420 nan 0.000 0.278 499 P C -0.170 177.179 177.300 0.081 0.000 1.238 499 P CA -0.365 62.633 63.100 -0.170 0.000 0.794 499 P CB 1.137 32.422 31.700 -0.692 0.000 0.955 500 L N 1.354 122.692 121.223 0.192 0.000 2.600 500 L HA 0.337 4.672 4.340 -0.009 0.000 0.213 500 L C 0.278 177.174 176.870 0.042 0.000 1.045 500 L CA 0.284 55.208 54.840 0.141 0.000 0.863 500 L CB 0.434 42.572 42.059 0.133 0.000 1.189 500 L HN 0.270 nan 8.230 nan 0.000 0.484 501 L N -0.684 120.525 121.223 -0.023 0.000 2.592 501 L HA 0.723 5.057 4.340 -0.009 0.000 0.258 501 L C -1.034 175.524 176.870 -0.520 0.000 0.926 501 L CA 0.038 54.731 54.840 -0.245 0.000 0.885 501 L CB 1.936 43.915 42.059 -0.133 0.000 1.380 501 L HN 0.002 nan 8.230 nan 0.000 0.415 502 G N 2.271 110.460 108.800 -1.019 0.000 2.451 502 G HA2 0.705 4.660 3.960 -0.009 0.000 0.292 502 G HA3 0.705 4.660 3.960 -0.009 0.000 0.292 502 G C -2.081 172.547 174.900 -0.452 0.000 1.427 502 G CA -0.160 44.490 45.100 -0.751 0.000 0.792 502 G HN 0.921 nan 8.290 nan 0.000 0.498 503 A N 0.079 122.884 122.820 -0.025 0.000 2.271 503 A HA 0.802 5.116 4.320 -0.009 0.000 0.317 503 A C 0.216 177.785 177.584 -0.025 0.000 1.245 503 A CA -0.028 51.967 52.037 -0.070 0.000 0.857 503 A CB 1.244 20.200 19.000 -0.074 0.000 1.175 503 A HN 1.551 nan 8.150 nan 0.000 0.512 504 S N 2.039 117.635 115.700 -0.174 0.000 2.489 504 S HA 0.506 4.971 4.470 -0.009 0.000 0.291 504 S C 0.825 175.266 174.600 -0.264 0.000 1.151 504 S CA -0.668 57.420 58.200 -0.187 0.000 1.082 504 S CB 0.481 63.405 63.200 -0.460 0.000 1.019 504 S HN 0.593 nan 8.310 nan 0.000 0.492 505 L N 2.651 123.785 121.223 -0.149 0.000 2.375 505 L HA 0.213 4.547 4.340 -0.009 0.000 0.215 505 L C 0.842 177.651 176.870 -0.101 0.000 1.108 505 L CA 0.327 55.090 54.840 -0.128 0.000 0.830 505 L CB -0.112 41.898 42.059 -0.083 0.000 0.959 505 L HN 0.704 nan 8.230 nan 0.000 0.457 506 D N -2.184 118.166 120.400 -0.084 0.000 2.553 506 D HA 0.088 4.723 4.640 -0.009 0.000 0.249 506 D C 0.802 177.133 176.300 0.052 0.000 1.062 506 D CA 0.137 54.117 54.000 -0.034 0.000 1.085 506 D CB 1.209 41.982 40.800 -0.045 0.000 1.350 506 D HN -0.108 nan 8.370 nan 0.000 0.575 507 S N -0.525 115.210 115.700 0.058 0.000 2.428 507 S HA -0.158 4.306 4.470 -0.009 0.000 0.230 507 S C 1.858 176.526 174.600 0.113 0.000 1.014 507 S CA 1.348 59.615 58.200 0.113 0.000 0.957 507 S CB -0.721 62.488 63.200 0.015 0.000 0.784 507 S HN 0.583 nan 8.310 nan 0.000 0.499 508 S N 1.090 116.793 115.700 0.006 0.000 2.395 508 S HA 0.353 4.818 4.470 -0.009 0.000 0.225 508 S C 1.897 176.382 174.600 -0.192 0.000 1.027 508 S CA 0.916 59.053 58.200 -0.104 0.000 0.965 508 S CB -0.928 62.170 63.200 -0.169 0.000 0.812 508 S HN 1.475 nan 8.310 nan 0.000 0.482 509 G N 0.139 108.852 108.800 -0.145 0.000 2.194 509 G HA2 -0.170 3.785 3.960 -0.009 0.000 0.236 509 G HA3 -0.170 3.785 3.960 -0.009 0.000 0.236 509 G C 0.977 175.632 174.900 -0.408 0.000 0.987 509 G CA 0.171 45.088 45.100 -0.305 0.000 0.635 509 G HN 1.025 nan 8.290 nan 0.000 0.520 510 G N 0.075 108.660 108.800 -0.359 0.000 2.422 510 G HA2 0.132 4.086 3.960 -0.009 0.000 0.218 510 G HA3 0.132 4.086 3.960 -0.009 0.000 0.218 510 G C 0.783 175.606 174.900 -0.129 0.000 1.140 510 G CA 1.276 46.222 45.100 -0.256 0.000 0.775 510 G HN 0.616 nan 8.290 nan 0.000 0.545 511 K N 1.062 121.400 120.400 -0.103 0.000 2.299 511 K HA 0.354 4.669 4.320 -0.009 0.000 0.268 511 K C -0.504 176.073 176.600 -0.039 0.000 1.075 511 K CA -0.394 55.858 56.287 -0.059 0.000 0.936 511 K CB 0.312 32.778 32.500 -0.057 0.000 1.228 511 K HN 0.010 nan 8.250 nan 0.000 0.454 512 K N 3.559 123.960 120.400 0.002 0.000 2.123 512 K HA 0.174 4.489 4.320 -0.009 0.000 0.259 512 K C 0.563 177.188 176.600 0.043 0.000 0.960 512 K CA -0.651 55.667 56.287 0.053 0.000 0.872 512 K CB 1.628 34.198 32.500 0.116 0.000 1.079 512 K HN 0.348 nan 8.250 nan 0.000 0.440 513 L N 2.664 123.916 121.223 0.049 0.000 2.145 513 L HA 0.252 4.587 4.340 -0.009 0.000 0.201 513 L C -0.422 176.509 176.870 0.102 0.000 1.075 513 L CA 1.298 56.175 54.840 0.062 0.000 0.773 513 L CB 0.293 42.386 42.059 0.058 0.000 0.936 513 L HN 0.560 nan 8.230 nan 0.000 0.451 514 L N -0.470 120.829 121.223 0.127 0.000 2.611 514 L HA 0.737 5.072 4.340 -0.009 0.000 0.260 514 L C -0.740 176.176 176.870 0.077 0.000 0.924 514 L CA 0.460 55.355 54.840 0.092 0.000 0.901 514 L CB 1.403 43.564 42.059 0.170 0.000 1.369 514 L HN 0.132 nan 8.230 nan 0.000 0.415 515 G N 2.900 111.690 108.800 -0.016 0.000 2.649 515 G HA2 0.617 4.571 3.960 -0.009 0.000 0.290 515 G HA3 0.617 4.571 3.960 -0.009 0.000 0.290 515 G C -2.606 172.262 174.900 -0.052 0.000 1.426 515 G CA -0.658 44.452 45.100 0.016 0.000 0.794 515 G HN 0.806 nan 8.290 nan 0.000 0.483 516 L N 0.349 121.569 121.223 -0.005 0.000 2.381 516 L HA 0.857 5.192 4.340 -0.009 0.000 0.274 516 L C -0.183 176.762 176.870 0.125 0.000 0.988 516 L CA -0.222 54.620 54.840 0.004 0.000 0.824 516 L CB 1.948 43.957 42.059 -0.083 0.000 1.263 516 L HN 0.564 nan 8.230 nan 0.000 0.410 517 S N 2.523 118.321 115.700 0.164 0.000 2.751 517 S HA 0.824 5.288 4.470 -0.009 0.000 0.310 517 S C -1.575 173.216 174.600 0.318 0.000 1.128 517 S CA -0.310 57.995 58.200 0.176 0.000 0.931 517 S CB 1.650 64.880 63.200 0.050 0.000 1.177 517 S HN 0.602 nan 8.310 nan 0.000 0.530 518 Y N -0.334 120.011 120.300 0.075 0.000 2.562 518 Y HA 0.786 5.331 4.550 -0.009 0.000 0.345 518 Y C -1.171 174.797 175.900 0.114 0.000 1.045 518 Y CA -1.227 56.911 58.100 0.063 0.000 1.028 518 Y CB 0.885 39.123 38.460 -0.370 0.000 1.297 518 Y HN 0.664 nan 8.280 nan 0.000 0.463 519 D N 0.212 120.782 120.400 0.283 0.000 2.585 519 D HA 0.245 4.880 4.640 -0.009 0.000 0.254 519 D C 0.158 176.522 176.300 0.106 0.000 1.067 519 D CA -1.043 53.010 54.000 0.088 0.000 1.090 519 D CB 1.463 42.291 40.800 0.046 0.000 1.408 519 D HN 0.724 nan 8.370 nan 0.000 0.554 520 K N -0.635 119.765 120.400 -0.000 0.000 2.442 520 K HA 0.007 4.322 4.320 -0.009 0.000 0.198 520 K C 0.920 177.461 176.600 -0.098 0.000 1.042 520 K CA 0.630 56.890 56.287 -0.046 0.000 0.958 520 K CB -0.068 32.419 32.500 -0.022 0.000 0.766 520 K HN 0.208 nan 8.250 nan 0.000 0.474 521 R N 0.316 120.769 120.500 -0.079 0.000 2.426 521 R HA 0.112 4.446 4.340 -0.009 0.000 0.263 521 R C -0.653 175.558 176.300 -0.148 0.000 0.961 521 R CA -0.134 55.929 56.100 -0.062 0.000 1.086 521 R CB -0.272 30.006 30.300 -0.036 0.000 1.186 521 R HN 0.368 nan 8.270 nan 0.000 0.537 522 H N -0.517 118.259 119.070 -0.491 0.000 2.862 522 H HA -0.187 4.364 4.556 -0.009 0.000 0.290 522 H C -0.538 174.124 175.328 -1.111 0.000 1.211 522 H CA 0.796 56.057 56.048 -1.312 0.000 1.140 522 H CB -1.291 27.766 29.762 -1.175 0.000 1.341 522 H HN 0.336 nan 8.280 nan 0.000 0.392 523 Q N -0.742 118.869 119.800 -0.315 0.000 2.297 523 Q HA 0.323 4.657 4.340 -0.009 0.000 0.268 523 Q C -0.148 175.965 176.000 0.187 0.000 1.045 523 Q CA -0.927 54.812 55.803 -0.106 0.000 0.861 523 Q CB 1.608 30.349 28.738 0.005 0.000 1.344 523 Q HN 0.316 nan 8.270 nan 0.000 0.452 524 W N 1.093 122.588 121.300 0.324 0.000 2.251 524 W HA 0.221 4.877 4.660 -0.008 0.000 0.329 524 W C 0.259 176.856 176.519 0.129 0.000 1.234 524 W CA -0.326 57.151 57.345 0.219 0.000 1.228 524 W CB 0.763 30.288 29.460 0.109 0.000 1.135 524 W HN 0.289 nan 8.180 nan 0.000 0.576 525 Q N 3.959 123.980 119.800 0.369 0.000 2.674 525 Q HA 0.209 4.544 4.340 -0.009 0.000 0.249 525 Q C -2.297 173.763 176.000 0.100 0.000 1.011 525 Q CA -1.930 53.988 55.803 0.192 0.000 0.734 525 Q CB 1.534 30.350 28.738 0.130 0.000 1.201 525 Q HN 0.022 nan 8.270 nan 0.000 0.498 526 P HA 0.203 nan 4.420 nan 0.000 0.275 526 P C -0.523 176.554 177.300 -0.372 0.000 1.227 526 P CA -0.010 62.950 63.100 -0.234 0.000 0.781 526 P CB 1.192 32.730 31.700 -0.270 0.000 0.906 527 I N 3.641 123.934 120.570 -0.462 0.000 2.410 527 I HA 0.273 4.437 4.170 -0.009 0.000 0.286 527 I C -0.458 175.421 176.117 -0.398 0.000 1.009 527 I CA -0.825 60.306 61.300 -0.281 0.000 1.111 527 I CB 1.202 39.166 38.000 -0.060 0.000 1.262 527 I HN 0.256 nan 8.210 nan 0.000 0.443 528 Y N 5.237 125.559 120.300 0.038 0.000 2.593 528 Y HA 0.543 5.088 4.550 -0.009 0.000 0.331 528 Y C 1.185 177.100 175.900 0.024 0.000 0.986 528 Y CA -0.244 57.870 58.100 0.024 0.000 1.262 528 Y CB 1.038 39.500 38.460 0.003 0.000 1.098 528 Y HN 0.890 nan 8.280 nan 0.000 0.506 529 G N 1.373 110.246 108.800 0.123 0.000 2.622 529 G HA2 -0.353 3.601 3.960 -0.009 0.000 0.307 529 G HA3 -0.353 3.601 3.960 -0.009 0.000 0.307 529 G C 1.011 175.949 174.900 0.064 0.000 1.226 529 G CA 0.585 45.733 45.100 0.081 0.000 0.997 529 G HN 0.477 nan 8.290 nan 0.000 0.551 530 S N 1.119 116.851 115.700 0.053 0.000 2.597 530 S HA 0.367 4.831 4.470 -0.009 0.000 0.224 530 S C 0.842 175.471 174.600 0.049 0.000 0.955 530 S CA 0.834 59.057 58.200 0.039 0.000 0.933 530 S CB 0.162 63.375 63.200 0.021 0.000 0.788 530 S HN 0.770 nan 8.310 nan 0.000 0.488 531 T N 4.854 119.455 114.554 0.077 0.000 2.916 531 T HA 0.169 4.514 4.350 -0.009 0.000 0.303 531 T C -2.353 172.396 174.700 0.081 0.000 1.025 531 T CA -0.705 61.445 62.100 0.082 0.000 1.142 531 T CB 0.340 69.284 68.868 0.125 0.000 0.947 531 T HN 0.077 nan 8.240 nan 0.000 0.544 532 P HA 0.070 nan 4.420 nan 0.000 0.264 532 P C -0.619 176.729 177.300 0.078 0.000 1.183 532 P CA -0.204 62.929 63.100 0.054 0.000 0.763 532 P CB 0.317 32.041 31.700 0.040 0.000 0.807 533 V N 3.961 123.917 119.914 0.071 0.000 2.530 533 V HA 0.150 4.265 4.120 -0.009 0.000 0.282 533 V C 0.625 176.771 176.094 0.086 0.000 1.048 533 V CA 0.468 62.819 62.300 0.086 0.000 0.997 533 V CB 0.873 32.734 31.823 0.063 0.000 0.987 533 V HN 0.525 nan 8.190 nan 0.000 0.477 534 T N 7.611 122.233 114.554 0.113 0.000 2.842 534 T HA 0.381 4.726 4.350 -0.009 0.000 0.308 534 T C -2.514 172.255 174.700 0.114 0.000 1.041 534 T CA -1.039 61.120 62.100 0.098 0.000 0.964 534 T CB 1.439 70.363 68.868 0.094 0.000 0.972 534 T HN 0.443 nan 8.240 nan 0.000 0.460 535 P HA 0.352 nan 4.420 nan 0.000 0.269 535 P C -0.235 177.139 177.300 0.123 0.000 1.209 535 P CA -0.071 63.099 63.100 0.118 0.000 0.776 535 P CB 0.656 32.406 31.700 0.084 0.000 0.876 536 T N 0.448 115.104 114.554 0.170 0.000 2.821 536 T HA 0.590 4.935 4.350 -0.009 0.000 0.306 536 T C -0.124 174.710 174.700 0.223 0.000 1.313 536 T CA 0.493 62.691 62.100 0.164 0.000 1.012 536 T CB 0.709 69.673 68.868 0.160 0.000 1.298 536 T HN 0.730 nan 8.240 nan 0.000 0.502 537 G N 1.999 110.904 108.800 0.175 0.000 2.601 537 G HA2 0.145 4.100 3.960 -0.009 0.000 0.261 537 G HA3 0.145 4.100 3.960 -0.009 0.000 0.261 537 G C -0.152 174.790 174.900 0.070 0.000 1.289 537 G CA 0.484 45.707 45.100 0.205 0.000 0.920 537 G HN 2.215 nan 8.290 nan 0.000 0.571 538 S N -0.699 115.021 115.700 0.033 0.000 2.543 538 S HA 0.755 5.220 4.470 -0.009 0.000 0.274 538 S C -0.832 173.647 174.600 -0.201 0.000 1.149 538 S CA 0.201 58.278 58.200 -0.204 0.000 0.866 538 S CB 1.700 64.823 63.200 -0.128 0.000 1.111 538 S HN 2.285 nan 8.310 nan 0.000 0.457 539 W N 1.404 122.469 121.300 -0.392 0.000 3.062 539 W HA 0.797 5.452 4.660 -0.009 0.000 0.336 539 W C -1.227 175.297 176.519 0.008 0.000 1.224 539 W CA -0.728 56.418 57.345 -0.332 0.000 1.159 539 W CB 0.892 29.684 29.460 -1.112 0.000 1.454 539 W HN 1.032 nan 8.180 nan 0.000 0.569 540 E N 1.401 121.973 120.200 0.620 0.000 2.256 540 E HA 0.513 4.858 4.350 -0.009 0.000 0.267 540 E C -0.812 176.175 176.600 0.646 0.000 0.892 540 E CA -1.030 55.645 56.400 0.460 0.000 0.775 540 E CB 2.659 32.497 29.700 0.229 0.000 1.207 540 E HN 0.416 nan 8.360 nan 0.000 0.420 541 M N 1.786 121.712 119.600 0.543 0.000 2.249 541 M HA 0.133 4.608 4.480 -0.009 0.000 0.340 541 M C 1.049 177.505 176.300 0.260 0.000 1.166 541 M CA 2.050 57.601 55.300 0.419 0.000 1.115 541 M CB 0.348 33.162 32.600 0.356 0.000 1.606 541 M HN 1.088 nan 8.290 nan 0.000 0.448 542 G N 2.346 111.257 108.800 0.185 0.000 2.179 542 G HA2 -0.281 3.673 3.960 -0.009 0.000 0.260 542 G HA3 -0.281 3.673 3.960 -0.009 0.000 0.260 542 G C 0.056 175.016 174.900 0.100 0.000 0.977 542 G CA 0.466 45.658 45.100 0.152 0.000 0.641 542 G HN 0.636 nan 8.290 nan 0.000 0.533 543 K N 0.845 121.306 120.400 0.101 0.000 2.156 543 K HA 0.521 4.835 4.320 -0.009 0.000 0.271 543 K C 0.786 177.287 176.600 -0.163 0.000 0.995 543 K CA -1.035 55.225 56.287 -0.044 0.000 0.890 543 K CB 0.563 33.014 32.500 -0.082 0.000 1.073 543 K HN 0.239 nan 8.250 nan 0.000 0.454 544 R N 4.124 124.519 120.500 -0.176 0.000 2.357 544 R HA 0.159 4.494 4.340 -0.009 0.000 0.296 544 R C -1.505 174.652 176.300 -0.239 0.000 1.052 544 R CA 0.070 56.111 56.100 -0.099 0.000 0.988 544 R CB 0.407 30.717 30.300 0.017 0.000 1.025 544 R HN 0.585 nan 8.270 nan 0.000 0.469 545 Y N 1.072 121.482 120.300 0.184 0.000 2.485 545 Y HA 0.270 4.815 4.550 -0.009 0.000 0.345 545 Y C -0.172 175.837 175.900 0.182 0.000 0.998 545 Y CA -0.906 57.320 58.100 0.210 0.000 1.059 545 Y CB 1.687 40.282 38.460 0.224 0.000 1.234 545 Y HN 0.716 nan 8.280 nan 0.000 0.461 546 H N 1.252 120.478 119.070 0.260 0.000 2.517 546 H HA 0.686 5.237 4.556 -0.009 0.000 0.317 546 H C -1.485 173.863 175.328 0.033 0.000 1.080 546 H CA -0.499 55.654 56.048 0.174 0.000 1.301 546 H CB 0.816 30.765 29.762 0.310 0.000 1.425 546 H HN 0.416 nan 8.280 nan 0.000 0.471 547 V N 6.313 125.992 119.914 -0.391 0.000 2.540 547 V HA 0.395 4.510 4.120 -0.009 0.000 0.302 547 V C -0.730 175.158 176.094 -0.343 0.000 1.035 547 V CA -0.811 61.299 62.300 -0.315 0.000 0.873 547 V CB 1.757 33.429 31.823 -0.252 0.000 0.992 547 V HN 0.602 nan 8.190 nan 0.000 0.428 548 V N 5.972 125.786 119.914 -0.167 0.000 2.577 548 V HA 0.523 4.637 4.120 -0.009 0.000 0.303 548 V C -0.537 175.576 176.094 0.031 0.000 1.042 548 V CA -0.479 61.770 62.300 -0.086 0.000 0.872 548 V CB 1.937 33.697 31.823 -0.105 0.000 0.998 548 V HN 0.654 nan 8.190 nan 0.000 0.423 549 L N 4.763 125.994 121.223 0.015 0.000 2.322 549 L HA 0.797 5.131 4.340 -0.009 0.000 0.281 549 L C 0.137 176.978 176.870 -0.048 0.000 1.014 549 L CA -0.337 54.526 54.840 0.038 0.000 0.815 549 L CB 2.149 44.274 42.059 0.111 0.000 1.247 549 L HN 0.792 nan 8.230 nan 0.000 0.421 550 T N 0.681 115.175 114.554 -0.100 0.000 2.893 550 T HA 0.705 5.050 4.350 -0.009 0.000 0.291 550 T C -0.578 173.875 174.700 -0.411 0.000 1.028 550 T CA -0.746 61.186 62.100 -0.279 0.000 0.995 550 T CB 2.489 71.301 68.868 -0.093 0.000 1.051 550 T HN 0.453 nan 8.240 nan 0.000 0.470 551 M N 2.375 121.578 119.600 -0.662 0.000 2.271 551 M HA 0.705 5.180 4.480 -0.009 0.000 0.285 551 M C -1.898 174.242 176.300 -0.266 0.000 1.059 551 M CA -0.396 54.631 55.300 -0.455 0.000 0.940 551 M CB 1.477 33.724 32.600 -0.588 0.000 1.636 551 M HN 1.217 nan 8.290 nan 0.000 0.460 552 A N 3.906 126.650 122.820 -0.125 0.000 2.604 552 A HA 0.648 4.963 4.320 -0.009 0.000 0.295 552 A C -0.231 177.336 177.584 -0.027 0.000 1.067 552 A CA -0.500 51.505 52.037 -0.054 0.000 0.683 552 A CB 1.061 20.032 19.000 -0.050 0.000 1.281 552 A HN 0.911 nan 8.150 nan 0.000 0.407 553 N N 1.010 119.712 118.700 0.002 0.000 2.721 553 N HA -0.191 4.544 4.740 -0.009 0.000 0.249 553 N C 0.003 175.511 175.510 -0.004 0.000 1.072 553 N CA 1.481 54.535 53.050 0.006 0.000 0.710 553 N CB -1.036 37.451 38.487 -0.000 0.000 0.993 553 N HN 0.913 nan 8.380 nan 0.000 0.547 554 K N -2.399 117.996 120.400 -0.008 0.000 3.407 554 K HA -0.197 4.117 4.320 -0.009 0.000 0.312 554 K C -0.110 176.483 176.600 -0.012 0.000 1.302 554 K CA 1.187 57.467 56.287 -0.011 0.000 0.931 554 K CB -1.153 31.343 32.500 -0.008 0.000 1.257 554 K HN 0.486 nan 8.250 nan 0.000 0.454 555 I N 0.420 120.976 120.570 -0.023 0.000 2.474 555 I HA 0.387 4.552 4.170 -0.009 0.000 0.294 555 I C 0.733 176.835 176.117 -0.025 0.000 1.005 555 I CA -0.741 60.544 61.300 -0.025 0.000 1.113 555 I CB 2.001 39.978 38.000 -0.038 0.000 1.289 555 I HN 0.091 nan 8.210 nan 0.000 0.436 556 G N 3.091 111.904 108.800 0.022 0.000 2.420 556 G HA2 0.714 4.668 3.960 -0.009 0.000 0.331 556 G HA3 0.714 4.668 3.960 -0.009 0.000 0.331 556 G C -1.119 173.854 174.900 0.122 0.000 1.168 556 G CA -0.314 44.830 45.100 0.074 0.000 0.936 556 G HN 0.521 nan 8.290 nan 0.000 0.479 557 S N -0.990 114.771 115.700 0.102 0.000 2.569 557 S HA 0.706 5.171 4.470 -0.009 0.000 0.280 557 S C -0.860 173.784 174.600 0.073 0.000 1.111 557 S CA -0.541 57.707 58.200 0.080 0.000 0.887 557 S CB 2.196 65.376 63.200 -0.034 0.000 1.095 557 S HN 0.574 nan 8.310 nan 0.000 0.476 558 V N 2.557 122.455 119.914 -0.027 0.000 2.531 558 V HA 0.505 4.620 4.120 -0.009 0.000 0.301 558 V C -1.738 174.208 176.094 -0.247 0.000 1.034 558 V CA -0.630 61.624 62.300 -0.077 0.000 0.865 558 V CB 1.206 32.952 31.823 -0.127 0.000 0.995 558 V HN 0.865 nan 8.190 nan 0.000 0.424 559 Y N 4.296 124.514 120.300 -0.136 0.000 2.409 559 Y HA 0.665 5.209 4.550 -0.009 0.000 0.339 559 Y C -0.023 175.735 175.900 -0.237 0.000 1.033 559 Y CA -1.088 56.921 58.100 -0.151 0.000 1.094 559 Y CB 1.839 40.233 38.460 -0.110 0.000 1.210 559 Y HN 0.337 nan 8.280 nan 0.000 0.456 560 I N 3.193 123.689 120.570 -0.122 0.000 2.436 560 I HA 0.191 4.356 4.170 -0.009 0.000 0.289 560 I C -0.477 175.562 176.117 -0.129 0.000 1.010 560 I CA -0.869 60.306 61.300 -0.209 0.000 1.098 560 I CB 1.492 39.246 38.000 -0.410 0.000 1.266 560 I HN 0.739 nan 8.210 nan 0.000 0.434 561 D N 5.218 125.525 120.400 -0.155 0.000 2.751 561 D HA -0.184 4.450 4.640 -0.009 0.000 0.233 561 D C 1.254 176.890 176.300 -1.107 0.000 1.149 561 D CA 1.630 55.186 54.000 -0.740 0.000 0.682 561 D CB -0.990 39.604 40.800 -0.344 0.000 1.068 561 D HN 1.137 nan 8.370 nan 0.000 0.429 562 G N -1.208 107.292 108.800 -0.499 0.000 2.179 562 G HA2 -0.320 3.634 3.960 -0.009 0.000 0.260 562 G HA3 -0.320 3.634 3.960 -0.009 0.000 0.260 562 G C -0.040 174.875 174.900 0.026 0.000 0.977 562 G CA 0.493 45.452 45.100 -0.234 0.000 0.641 562 G HN 0.394 nan 8.290 nan 0.000 0.533 563 E N 1.026 121.252 120.200 0.044 0.000 2.199 563 E HA 0.448 4.793 4.350 -0.009 0.000 0.269 563 E C -2.569 174.037 176.600 0.010 0.000 0.899 563 E CA -2.061 54.391 56.400 0.086 0.000 0.772 563 E CB 2.446 32.145 29.700 -0.003 0.000 1.155 563 E HN 0.204 nan 8.360 nan 0.000 0.408 564 P HA 0.169 nan 4.420 nan 0.000 0.276 564 P C -0.003 177.126 177.300 -0.285 0.000 1.230 564 P CA -0.172 62.551 63.100 -0.628 0.000 0.776 564 P CB 0.888 32.173 31.700 -0.691 0.000 0.888 565 L N 1.530 122.607 121.223 -0.244 0.000 2.439 565 L HA 0.236 4.571 4.340 -0.009 0.000 0.261 565 L C 1.371 178.217 176.870 -0.039 0.000 1.153 565 L CA -0.637 54.154 54.840 -0.082 0.000 0.808 565 L CB 0.136 42.176 42.059 -0.032 0.000 1.126 565 L HN 0.467 nan 8.230 nan 0.000 0.460 566 E N 0.638 120.845 120.200 0.012 0.000 2.568 566 E HA 0.033 4.378 4.350 -0.009 0.000 0.262 566 E C 0.925 177.542 176.600 0.029 0.000 0.961 566 E CA 0.969 57.375 56.400 0.009 0.000 0.945 566 E CB 0.282 30.009 29.700 0.045 0.000 0.924 566 E HN 0.763 nan 8.360 nan 0.000 0.467 567 G N 2.985 111.714 108.800 -0.118 0.000 2.234 567 G HA2 -0.275 3.680 3.960 -0.009 0.000 0.235 567 G HA3 -0.275 3.680 3.960 -0.009 0.000 0.235 567 G C 0.272 174.657 174.900 -0.858 0.000 0.997 567 G CA 0.141 45.019 45.100 -0.370 0.000 0.623 567 G HN 0.615 nan 8.290 nan 0.000 0.514 568 S N 0.453 115.882 115.700 -0.452 0.000 2.568 568 S HA 0.448 4.912 4.470 -0.009 0.000 0.282 568 S C 1.459 175.850 174.600 -0.349 0.000 1.338 568 S CA 1.518 59.488 58.200 -0.384 0.000 1.045 568 S CB 1.023 64.076 63.200 -0.245 0.000 0.873 568 S HN 2.165 nan 8.310 nan 0.000 0.516 569 G N 1.068 109.708 108.800 -0.268 0.000 2.130 569 G HA2 -0.195 3.760 3.960 -0.009 0.000 0.216 569 G HA3 -0.195 3.760 3.960 -0.009 0.000 0.216 569 G C -0.301 174.479 174.900 -0.201 0.000 0.999 569 G CA 0.152 45.142 45.100 -0.184 0.000 0.686 569 G HN 0.678 nan 8.290 nan 0.000 0.515 570 Q N 0.687 120.317 119.800 -0.284 0.000 2.235 570 Q HA 0.705 5.039 4.340 -0.009 0.000 0.256 570 Q C 0.443 176.392 176.000 -0.085 0.000 0.951 570 Q CA -0.144 55.524 55.803 -0.224 0.000 0.890 570 Q CB 0.970 29.480 28.738 -0.380 0.000 1.279 570 Q HN 0.146 nan 8.270 nan 0.000 0.444 571 T N 2.913 117.438 114.554 -0.049 0.000 2.888 571 T HA 0.245 4.589 4.350 -0.009 0.000 0.301 571 T C 0.700 175.415 174.700 0.024 0.000 1.001 571 T CA 0.350 62.443 62.100 -0.012 0.000 1.147 571 T CB 0.367 69.227 68.868 -0.014 0.000 0.931 571 T HN 0.569 nan 8.240 nan 0.000 0.541 572 V N 1.545 121.481 119.914 0.036 0.000 3.556 572 V HA 0.435 4.549 4.120 -0.009 0.000 0.287 572 V C 0.129 176.242 176.094 0.031 0.000 1.422 572 V CA -0.172 62.164 62.300 0.060 0.000 1.038 572 V CB 0.264 32.144 31.823 0.093 0.000 0.850 572 V HN 0.495 nan 8.190 nan 0.000 0.437 573 V N 2.375 122.296 119.914 0.011 0.000 2.483 573 V HA 0.521 4.636 4.120 -0.009 0.000 0.297 573 V C -2.650 173.441 176.094 -0.006 0.000 1.027 573 V CA -1.841 60.455 62.300 -0.006 0.000 0.855 573 V CB 1.728 33.538 31.823 -0.022 0.000 0.995 573 V HN 0.216 nan 8.190 nan 0.000 0.424 574 P HA 0.113 nan 4.420 nan 0.000 0.264 574 P C 0.213 177.510 177.300 -0.005 0.000 1.193 574 P CA 0.049 63.146 63.100 -0.005 0.000 0.763 574 P CB 0.589 32.286 31.700 -0.005 0.000 0.810 575 D N 2.048 122.447 120.400 -0.002 0.000 2.271 575 D HA -0.184 4.451 4.640 -0.009 0.000 0.207 575 D C 2.014 178.316 176.300 0.004 0.000 0.983 575 D CA 1.943 55.944 54.000 0.001 0.000 0.878 575 D CB -0.304 40.497 40.800 0.002 0.000 0.920 575 D HN 0.588 nan 8.370 nan 0.000 0.479 576 E N 0.869 121.070 120.200 0.002 0.000 1.999 576 E HA 0.024 4.369 4.350 -0.009 0.000 0.194 576 E C 1.725 178.328 176.600 0.004 0.000 0.995 576 E CA 1.587 57.990 56.400 0.005 0.000 0.825 576 E CB -0.920 28.782 29.700 0.003 0.000 0.777 576 E HN 0.459 nan 8.360 nan 0.000 0.459 577 R N -0.321 120.177 120.500 -0.004 0.000 2.541 577 R HA 0.598 4.933 4.340 -0.009 0.000 0.263 577 R C 0.383 176.667 176.300 -0.026 0.000 1.112 577 R CA 0.288 56.382 56.100 -0.009 0.000 1.170 577 R CB 0.007 30.299 30.300 -0.012 0.000 1.167 577 R HN 0.363 nan 8.270 nan 0.000 0.582 578 T N 2.552 117.084 114.554 -0.036 0.000 2.794 578 T HA 0.521 4.865 4.350 -0.009 0.000 0.280 578 T C -2.168 172.466 174.700 -0.111 0.000 0.987 578 T CA -0.905 61.139 62.100 -0.093 0.000 0.993 578 T CB 1.556 70.384 68.868 -0.066 0.000 0.939 578 T HN 0.625 nan 8.240 nan 0.000 0.449 579 P HA 0.302 nan 4.420 nan 0.000 0.271 579 P C -0.712 176.480 177.300 -0.179 0.000 1.233 579 P CA -0.285 62.728 63.100 -0.144 0.000 0.789 579 P CB 0.469 32.080 31.700 -0.149 0.000 0.951 580 D N 0.795 121.102 120.400 -0.156 0.000 2.400 580 D HA 0.255 4.890 4.640 -0.009 0.000 0.272 580 D C -0.389 175.795 176.300 -0.192 0.000 1.220 580 D CA -0.365 53.535 54.000 -0.168 0.000 0.897 580 D CB -0.487 40.256 40.800 -0.094 0.000 1.134 580 D HN 0.160 nan 8.370 nan 0.000 0.507 581 I N 1.660 122.065 120.570 -0.275 0.000 2.683 581 I HA -0.054 4.110 4.170 -0.009 0.000 0.286 581 I C 1.768 177.704 176.117 -0.301 0.000 1.175 581 I CA 0.165 61.266 61.300 -0.331 0.000 1.429 581 I CB 1.245 38.947 38.000 -0.496 0.000 1.371 581 I HN 0.251 nan 8.210 nan 0.000 0.569 582 S N 6.069 121.624 115.700 -0.242 0.000 2.362 582 S HA -0.039 4.425 4.470 -0.009 0.000 0.221 582 S C 0.361 174.934 174.600 -0.045 0.000 1.032 582 S CA 0.744 58.892 58.200 -0.087 0.000 0.973 582 S CB 0.047 63.284 63.200 0.061 0.000 0.849 582 S HN 0.825 nan 8.310 nan 0.000 0.465 583 H N -2.614 116.302 119.070 -0.258 0.000 2.950 583 H HA 0.313 4.863 4.556 -0.009 0.000 0.307 583 H C -1.782 173.334 175.328 -0.354 0.000 1.403 583 H CA -0.994 54.899 56.048 -0.259 0.000 1.145 583 H CB -0.282 29.477 29.762 -0.006 0.000 1.844 583 H HN 0.204 nan 8.280 nan 0.000 0.515 584 F N 1.561 121.591 119.950 0.133 0.000 2.404 584 F HA 0.337 4.858 4.527 -0.010 0.000 0.339 584 F C 0.013 175.990 175.800 0.294 0.000 1.105 584 F CA -0.930 57.093 58.000 0.038 0.000 1.087 584 F CB 1.006 40.030 39.000 0.039 0.000 1.143 584 F HN 0.424 nan 8.300 nan 0.000 0.491 585 Y N 0.206 120.728 120.300 0.370 0.000 2.387 585 Y HA 0.819 5.364 4.550 -0.009 0.000 0.336 585 Y C -1.223 174.782 175.900 0.175 0.000 1.067 585 Y CA -1.624 56.664 58.100 0.313 0.000 1.114 585 Y CB 0.951 39.594 38.460 0.305 0.000 1.208 585 Y HN 0.280 nan 8.280 nan 0.000 0.458 586 V N 2.494 122.504 119.914 0.161 0.000 2.569 586 V HA 0.603 4.718 4.120 -0.009 0.000 0.301 586 V C 0.512 176.476 176.094 -0.216 0.000 1.044 586 V CA -0.541 61.780 62.300 0.035 0.000 0.874 586 V CB 1.018 32.941 31.823 0.166 0.000 1.002 586 V HN 1.320 nan 8.190 nan 0.000 0.424 587 G N 2.884 111.568 108.800 -0.193 0.000 2.153 587 G HA2 0.231 4.186 3.960 -0.009 0.000 0.252 587 G HA3 0.231 4.186 3.960 -0.009 0.000 0.252 587 G C 0.677 175.300 174.900 -0.462 0.000 0.994 587 G CA 0.333 45.184 45.100 -0.415 0.000 0.698 587 G HN 2.301 nan 8.290 nan 0.000 0.521 588 G N -2.657 105.996 108.800 -0.246 0.000 2.369 588 G HA2 0.367 4.322 3.960 -0.009 0.000 0.293 588 G HA3 0.367 4.322 3.960 -0.009 0.000 0.293 588 G C -0.069 174.729 174.900 -0.169 0.000 1.301 588 G CA 0.080 45.041 45.100 -0.231 0.000 0.913 588 G HN 0.488 nan 8.290 nan 0.000 0.540 589 Y N 0.371 120.652 120.300 -0.031 0.000 2.500 589 Y HA 0.306 4.850 4.550 -0.009 0.000 0.270 589 Y C 1.948 177.849 175.900 0.001 0.000 1.134 589 Y CA 0.665 58.734 58.100 -0.052 0.000 1.293 589 Y CB 0.393 38.777 38.460 -0.126 0.000 1.063 589 Y HN 0.559 nan 8.280 nan 0.000 0.534 590 K N 1.393 121.862 120.400 0.115 0.000 3.077 590 K HA -0.214 4.101 4.320 -0.009 0.000 0.264 590 K C -1.309 175.330 176.600 0.065 0.000 1.008 590 K CA 0.293 56.624 56.287 0.074 0.000 0.740 590 K CB -0.558 31.979 32.500 0.062 0.000 1.273 590 K HN 0.144 nan 8.250 nan 0.000 0.477 591 R N 0.104 120.656 120.500 0.086 0.000 2.500 591 R HA 0.102 4.437 4.340 -0.009 0.000 0.299 591 R C 1.055 177.377 176.300 0.036 0.000 1.038 591 R CA 0.216 56.338 56.100 0.037 0.000 0.903 591 R CB 1.511 31.809 30.300 -0.002 0.000 1.177 591 R HN 0.265 nan 8.270 nan 0.000 0.455 592 S N 0.562 116.275 115.700 0.021 0.000 2.442 592 S HA -0.105 4.360 4.470 -0.009 0.000 0.236 592 S C 1.628 176.233 174.600 0.008 0.000 1.007 592 S CA 1.194 59.407 58.200 0.020 0.000 0.965 592 S CB 0.073 63.282 63.200 0.015 0.000 0.773 592 S HN 0.698 nan 8.310 nan 0.000 0.504 593 G N 0.906 109.701 108.800 -0.009 0.000 2.712 593 G HA2 0.219 4.174 3.960 -0.009 0.000 0.212 593 G HA3 0.219 4.174 3.960 -0.009 0.000 0.212 593 G C 0.490 175.367 174.900 -0.039 0.000 1.142 593 G CA -0.123 44.962 45.100 -0.025 0.000 0.789 593 G HN 0.343 nan 8.290 nan 0.000 0.535 594 M N 1.091 120.670 119.600 -0.035 0.000 2.216 594 M HA 0.225 4.700 4.480 -0.009 0.000 0.356 594 M C -1.520 174.796 176.300 0.027 0.000 1.205 594 M CA -2.581 52.688 55.300 -0.051 0.000 1.122 594 M CB 1.456 33.985 32.600 -0.118 0.000 1.571 594 M HN -0.129 nan 8.290 nan 0.000 0.464 595 P HA -0.021 nan 4.420 nan 0.000 0.237 595 P C 0.250 177.578 177.300 0.046 0.000 1.178 595 P CA 0.614 63.730 63.100 0.026 0.000 0.766 595 P CB -0.318 31.386 31.700 0.007 0.000 0.876 596 T N -2.249 112.357 114.554 0.088 0.000 2.899 596 T HA 0.404 4.749 4.350 -0.009 0.000 0.284 596 T C -0.462 174.260 174.700 0.038 0.000 1.004 596 T CA -0.659 61.472 62.100 0.052 0.000 1.043 596 T CB 1.435 70.334 68.868 0.050 0.000 1.013 596 T HN -0.198 nan 8.240 nan 0.000 0.518 597 D N 0.615 121.024 120.400 0.014 0.000 2.473 597 D HA 0.314 4.949 4.640 -0.009 0.000 0.253 597 D C -1.038 175.292 176.300 0.051 0.000 1.233 597 D CA -0.472 53.551 54.000 0.039 0.000 0.908 597 D CB 1.341 42.169 40.800 0.047 0.000 1.170 597 D HN 0.475 nan 8.370 nan 0.000 0.558 598 S N 3.684 119.425 115.700 0.069 0.000 2.422 598 S HA 0.432 4.896 4.470 -0.009 0.000 0.308 598 S C 0.210 174.923 174.600 0.189 0.000 1.097 598 S CA -0.722 57.571 58.200 0.156 0.000 1.099 598 S CB 0.987 64.250 63.200 0.105 0.000 0.976 598 S HN 0.267 nan 8.310 nan 0.000 0.471 599 R N 2.651 123.280 120.500 0.214 0.000 2.346 599 R HA 0.506 4.841 4.340 -0.009 0.000 0.309 599 R C -0.606 175.813 176.300 0.198 0.000 1.119 599 R CA -0.406 55.823 56.100 0.215 0.000 1.112 599 R CB 0.605 31.023 30.300 0.197 0.000 1.132 599 R HN 0.508 nan 8.270 nan 0.000 0.538 600 V N -1.683 118.369 119.914 0.231 0.000 3.178 600 V HA 0.593 4.708 4.120 -0.009 0.000 0.302 600 V C -0.464 175.757 176.094 0.211 0.000 1.262 600 V CA -0.811 61.513 62.300 0.039 0.000 1.030 600 V CB 2.392 34.189 31.823 -0.043 0.000 1.074 600 V HN 0.351 nan 8.190 nan 0.000 0.438 601 T N 1.937 116.539 114.554 0.079 0.000 2.823 601 T HA 0.767 5.112 4.350 -0.009 0.000 0.279 601 T C -0.672 174.117 174.700 0.150 0.000 0.998 601 T CA -0.389 61.807 62.100 0.160 0.000 0.994 601 T CB 1.552 70.553 68.868 0.223 0.000 0.960 601 T HN 0.839 nan 8.240 nan 0.000 0.448 602 V N 4.719 124.763 119.914 0.216 0.000 2.588 602 V HA 0.560 4.675 4.120 -0.009 0.000 0.304 602 V C -0.490 175.801 176.094 0.328 0.000 1.042 602 V CA -1.032 61.447 62.300 0.298 0.000 0.877 602 V CB 1.999 34.105 31.823 0.471 0.000 0.996 602 V HN 0.824 nan 8.190 nan 0.000 0.425 603 N N 2.839 121.713 118.700 0.291 0.000 2.240 603 N HA 0.415 5.150 4.740 -0.009 0.000 0.302 603 N C -0.605 175.075 175.510 0.282 0.000 1.106 603 N CA -0.771 52.461 53.050 0.302 0.000 0.778 603 N CB 1.897 40.511 38.487 0.211 0.000 1.431 603 N HN 0.817 nan 8.380 nan 0.000 0.479 604 N N -0.548 118.318 118.700 0.277 0.000 2.641 604 N HA -0.159 4.576 4.740 -0.009 0.000 0.267 604 N C -1.153 174.509 175.510 0.254 0.000 1.087 604 N CA -0.022 53.229 53.050 0.334 0.000 0.731 604 N CB -0.680 38.041 38.487 0.391 0.000 0.886 604 N HN 0.207 nan 8.380 nan 0.000 0.547 605 V N 2.159 122.104 119.914 0.053 0.000 2.385 605 V HA 0.334 4.449 4.120 -0.009 0.000 0.269 605 V C 0.634 176.791 176.094 0.104 0.000 1.043 605 V CA -0.203 62.068 62.300 -0.050 0.000 0.906 605 V CB 1.011 32.598 31.823 -0.394 0.000 0.995 605 V HN 0.240 nan 8.190 nan 0.000 0.467 606 L N 5.790 127.071 121.223 0.097 0.000 2.334 606 L HA 0.638 4.972 4.340 -0.009 0.000 0.276 606 L C -0.638 176.231 176.870 -0.000 0.000 1.014 606 L CA -0.662 54.188 54.840 0.017 0.000 0.815 606 L CB 1.844 43.850 42.059 -0.088 0.000 1.268 606 L HN 0.466 nan 8.230 nan 0.000 0.428 607 L N 3.177 124.315 121.223 -0.142 0.000 2.349 607 L HA 0.544 4.878 4.340 -0.009 0.000 0.278 607 L C -1.399 175.235 176.870 -0.393 0.000 0.996 607 L CA -0.048 54.627 54.840 -0.276 0.000 0.825 607 L CB 1.079 42.759 42.059 -0.631 0.000 1.243 607 L HN 0.280 nan 8.230 nan 0.000 0.412 608 Y N 2.641 122.841 120.300 -0.167 0.000 2.487 608 Y HA 0.373 4.917 4.550 -0.010 0.000 0.337 608 Y C 0.838 176.586 175.900 -0.253 0.000 1.076 608 Y CA -0.619 57.345 58.100 -0.227 0.000 1.115 608 Y CB 1.403 39.760 38.460 -0.172 0.000 1.235 608 Y HN 0.714 nan 8.280 nan 0.000 0.468 609 N N 1.789 120.241 118.700 -0.413 0.000 2.346 609 N HA 0.104 4.839 4.740 -0.009 0.000 0.225 609 N C -0.652 174.728 175.510 -0.216 0.000 1.144 609 N CA -0.352 52.240 53.050 -0.762 0.000 0.837 609 N CB -0.072 37.512 38.487 -1.506 0.000 1.069 609 N HN 0.762 nan 8.380 nan 0.000 0.487 610 R N -2.429 118.037 120.500 -0.056 0.000 2.733 610 R HA 0.285 4.620 4.340 -0.009 0.000 0.272 610 R C -1.433 174.827 176.300 -0.067 0.000 1.029 610 R CA -0.972 55.100 56.100 -0.046 0.000 0.888 610 R CB 0.675 30.929 30.300 -0.076 0.000 1.251 610 R HN 0.062 nan 8.270 nan 0.000 0.464 611 Q N 2.093 121.838 119.800 -0.092 0.000 2.307 611 Q HA 0.285 4.620 4.340 -0.009 0.000 0.259 611 Q C -0.651 175.248 176.000 -0.168 0.000 0.998 611 Q CA -0.519 55.204 55.803 -0.134 0.000 0.923 611 Q CB 0.870 29.543 28.738 -0.108 0.000 1.196 611 Q HN 0.501 nan 8.270 nan 0.000 0.416 612 L N 3.635 124.711 121.223 -0.244 0.000 2.467 612 L HA 0.077 4.412 4.340 -0.009 0.000 0.270 612 L C 0.658 177.389 176.870 -0.231 0.000 1.205 612 L CA -0.390 54.267 54.840 -0.305 0.000 0.828 612 L CB 0.111 41.912 42.059 -0.430 0.000 1.101 612 L HN 0.818 nan 8.230 nan 0.000 0.479 613 N N 1.416 119.996 118.700 -0.199 0.000 2.379 613 N HA 0.229 4.964 4.740 -0.009 0.000 0.260 613 N C 0.546 175.955 175.510 -0.168 0.000 1.254 613 N CA -0.008 52.952 53.050 -0.150 0.000 0.958 613 N CB 0.714 39.136 38.487 -0.107 0.000 1.208 613 N HN 0.593 nan 8.380 nan 0.000 0.532 614 A N -0.332 122.416 122.820 -0.120 0.000 1.908 614 A HA -0.242 4.073 4.320 -0.009 0.000 0.218 614 A C 1.985 179.507 177.584 -0.103 0.000 1.181 614 A CA 1.890 53.859 52.037 -0.113 0.000 0.627 614 A CB -1.198 17.773 19.000 -0.047 0.000 0.818 614 A HN 0.918 nan 8.150 nan 0.000 0.445 615 E N -0.157 119.993 120.200 -0.084 0.000 2.077 615 E HA -0.234 4.110 4.350 -0.009 0.000 0.193 615 E C 1.883 178.429 176.600 -0.090 0.000 0.989 615 E CA 1.433 57.791 56.400 -0.069 0.000 0.800 615 E CB -0.154 29.511 29.700 -0.059 0.000 0.746 615 E HN 0.756 nan 8.360 nan 0.000 0.452 616 E N 0.281 120.403 120.200 -0.129 0.000 2.077 616 E HA -0.170 4.174 4.350 -0.009 0.000 0.193 616 E C 2.201 178.705 176.600 -0.160 0.000 0.989 616 E CA 1.201 57.505 56.400 -0.160 0.000 0.800 616 E CB -0.067 29.495 29.700 -0.230 0.000 0.746 616 E HN 0.382 nan 8.360 nan 0.000 0.452 617 I N 0.752 121.208 120.570 -0.191 0.000 2.179 617 I HA -0.271 3.894 4.170 -0.009 0.000 0.242 617 I C 2.737 178.818 176.117 -0.060 0.000 1.088 617 I CA 0.992 62.186 61.300 -0.177 0.000 1.357 617 I CB -0.217 37.556 38.000 -0.378 0.000 1.051 617 I HN 0.036 nan 8.210 nan 0.000 0.409 618 R N 0.560 121.032 120.500 -0.047 0.000 2.091 618 R HA -0.175 4.160 4.340 -0.009 0.000 0.238 618 R C 2.254 178.566 176.300 0.020 0.000 1.136 618 R CA 2.174 58.304 56.100 0.050 0.000 0.959 618 R CB -0.332 29.990 30.300 0.036 0.000 0.856 618 R HN 0.263 nan 8.270 nan 0.000 0.437 619 T N 1.570 116.101 114.554 -0.038 0.000 2.746 619 T HA -0.121 4.223 4.350 -0.009 0.000 0.267 619 T C 1.805 176.455 174.700 -0.083 0.000 1.039 619 T CA 1.391 63.453 62.100 -0.064 0.000 1.142 619 T CB -0.117 68.713 68.868 -0.064 0.000 0.866 619 T HN 0.188 nan 8.240 nan 0.000 0.444 620 L N -0.047 121.139 121.223 -0.062 0.000 2.056 620 L HA -0.021 4.314 4.340 -0.009 0.000 0.207 620 L C 2.300 179.014 176.870 -0.260 0.000 1.078 620 L CA 1.179 55.992 54.840 -0.046 0.000 0.749 620 L CB -0.560 41.563 42.059 0.106 0.000 0.901 620 L HN 0.215 nan 8.230 nan 0.000 0.433 621 F N 1.054 120.642 119.950 -0.603 0.000 2.075 621 F HA -0.219 4.302 4.527 -0.010 0.000 0.297 621 F C 2.127 177.698 175.800 -0.382 0.000 1.113 621 F CA 1.572 59.042 58.000 -0.883 0.000 1.218 621 F CB -0.495 38.224 39.000 -0.469 0.000 0.984 621 F HN -0.126 nan 8.300 nan 0.000 0.472 622 L N 0.216 121.125 121.223 -0.525 0.000 2.201 622 L HA -0.145 4.189 4.340 -0.009 0.000 0.212 622 L C 2.103 178.777 176.870 -0.326 0.000 1.105 622 L CA 1.391 55.910 54.840 -0.535 0.000 0.775 622 L CB -0.867 41.014 42.059 -0.297 0.000 0.913 622 L HN 0.370 nan 8.230 nan 0.000 0.440 623 S N -2.240 113.328 115.700 -0.221 0.000 2.572 623 S HA 0.061 4.526 4.470 -0.009 0.000 0.228 623 S C 1.420 175.983 174.600 -0.063 0.000 0.963 623 S CA -0.479 57.650 58.200 -0.119 0.000 0.939 623 S CB 0.299 63.450 63.200 -0.080 0.000 0.804 623 S HN 0.363 nan 8.310 nan 0.000 0.480 624 Q N 1.581 121.331 119.800 -0.084 0.000 2.133 624 Q HA -0.180 4.154 4.340 -0.009 0.000 0.208 624 Q C 0.801 176.845 176.000 0.073 0.000 0.991 624 Q CA 1.834 57.661 55.803 0.040 0.000 0.867 624 Q CB -0.280 28.497 28.738 0.065 0.000 0.911 624 Q HN 0.586 nan 8.270 nan 0.000 0.417 625 D N -0.288 120.129 120.400 0.029 0.000 2.363 625 D HA 0.002 4.636 4.640 -0.009 0.000 0.226 625 D C 1.309 177.656 176.300 0.078 0.000 1.020 625 D CA 0.630 54.663 54.000 0.054 0.000 0.892 625 D CB 0.277 41.090 40.800 0.022 0.000 0.900 625 D HN 0.280 nan 8.370 nan 0.000 0.531 626 L N 0.174 121.442 121.223 0.076 0.000 2.609 626 L HA 0.224 4.558 4.340 -0.009 0.000 0.230 626 L C 2.083 179.054 176.870 0.167 0.000 1.087 626 L CA 0.154 55.056 54.840 0.103 0.000 0.874 626 L CB 0.098 42.182 42.059 0.041 0.000 1.114 626 L HN -0.024 nan 8.230 nan 0.000 0.488 627 I N -2.432 118.245 120.570 0.178 0.000 3.728 627 I HA 0.286 4.450 4.170 -0.009 0.000 0.307 627 I C 1.296 177.724 176.117 0.519 0.000 1.276 627 I CA -0.236 61.212 61.300 0.247 0.000 1.285 627 I CB -0.616 37.464 38.000 0.134 0.000 1.038 627 I HN 0.004 nan 8.210 nan 0.000 0.445 628 G N 1.601 110.647 108.800 0.409 0.000 2.630 628 G HA2 0.159 4.114 3.960 -0.009 0.000 0.236 628 G HA3 0.159 4.114 3.960 -0.009 0.000 0.236 628 G C 0.964 176.053 174.900 0.315 0.000 1.248 628 G CA 0.454 45.753 45.100 0.332 0.000 0.844 628 G HN 0.451 nan 8.290 nan 0.000 0.588 629 T N -1.990 112.587 114.554 0.038 0.000 3.129 629 T HA 0.072 4.416 4.350 -0.009 0.000 0.251 629 T C 1.586 176.328 174.700 0.069 0.000 1.117 629 T CA 0.927 63.019 62.100 -0.014 0.000 1.034 629 T CB 0.098 68.651 68.868 -0.525 0.000 0.968 629 T HN 0.691 nan 8.240 nan 0.000 0.526 630 E N 1.914 122.048 120.200 -0.110 0.000 2.086 630 E HA -0.225 4.119 4.350 -0.009 0.000 0.200 630 E C 2.082 178.444 176.600 -0.397 0.000 1.012 630 E CA 1.570 57.636 56.400 -0.557 0.000 0.812 630 E CB -0.436 28.897 29.700 -0.611 0.000 0.743 630 E HN 0.677 nan 8.360 nan 0.000 0.453 631 A N -0.359 122.224 122.820 -0.397 0.000 2.218 631 A HA 0.099 4.414 4.320 -0.009 0.000 0.209 631 A C 0.081 177.353 177.584 -0.521 0.000 1.168 631 A CA 0.168 51.901 52.037 -0.507 0.000 0.804 631 A CB -0.210 18.432 19.000 -0.596 0.000 0.834 631 A HN 0.297 nan 8.150 nan 0.000 0.482 632 H N 0.000 119.070 119.070 0.001 0.000 2.539 632 H HA 0.000 4.551 4.556 -0.008 0.000 0.296 632 H CA 0.000 56.045 56.048 -0.004 0.000 1.023 632 H CB 0.000 29.716 29.762 -0.076 0.000 1.292 632 H HN 0.000 nan 8.280 nan 0.000 0.496