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 1wky_1_A DATA FIRST_RESID 27 DATA SEQUENCE GRPANXXSGF YVSGTTLYDA NGNPFVMRGI NHGHAWYKDQ ATTAIEGIAN DATA SEQUENCE TGANTVRIVL SDGGQWTKDD IQTVRNLISL AEDNNLVAVL EVHDATGYDS DATA SEQUENCE IASLNRAVDY WIEMRSALIG KEDTVIINIA NEWFGSWDGA AWADGYKQAI DATA SEQUENCE PRLRNAGLNN TLMIDAAGWG QFPQSIHDYG REVFNADPQR NTMFSIHMYE DATA SEQUENCE YAGGNASQVR TNIDRVLNQD LALVIGEFGH RHTNGDVDES TIMSYSEQRG DATA SEQUENCE VGWLAWSWKG NGPEWEYLDL SNDWAGNNLT AWGNTIVNGP YGLRETSKLS DATA SEQUENCE TVFTXXXXXX XXXPTTLYDF EESTQGWTGS SLSRGPWTVT EWSSKGNHSL DATA SEQUENCE KADIQMSSNS QHYLHVIQNR SLQQNSRIQA TVKHAXXXXX XXGMTARLYV DATA SEQUENCE KTGHGYTWYS GSFVPINGSS GTTLSLDLSN VQNLSQVREI GVQFQSESNS DATA SEQUENCE SGQTSIYIDN VIVE 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 27 G HA2 0.000 nan 3.960 nan 0.000 0.244 27 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 27 G C 0.000 174.615 174.900 -0.476 0.000 0.946 27 G CA 0.000 44.880 45.100 -0.367 0.000 0.502 28 R N -0.166 119.839 120.500 -0.826 0.000 2.582 28 R HA 0.516 4.857 4.340 0.001 0.000 0.271 28 R C -2.366 173.795 176.300 -0.232 0.000 1.078 28 R CA -0.830 54.695 56.100 -0.957 0.000 1.127 28 R CB -0.148 29.313 30.300 -1.397 0.000 1.038 28 R HN 0.212 nan 8.270 nan 0.000 0.500 29 P HA -0.124 nan 4.420 nan 0.000 0.264 29 P C -0.035 177.262 177.300 -0.005 0.000 1.173 29 P CA 0.653 63.793 63.100 0.067 0.000 0.761 29 P CB 0.580 32.310 31.700 0.050 0.000 0.794 30 A N 1.712 124.512 122.820 -0.034 0.000 2.015 30 A HA 0.039 4.360 4.320 0.001 0.000 0.219 30 A C 1.276 178.819 177.584 -0.069 0.000 1.163 30 A CA 1.852 53.836 52.037 -0.088 0.000 0.646 30 A CB -1.238 17.657 19.000 -0.176 0.000 0.806 30 A HN 0.729 nan 8.150 nan 0.000 0.448 35 G N 2.674 111.443 108.800 -0.051 0.000 2.588 35 G HA2 0.544 4.505 3.960 0.001 0.000 0.281 35 G HA3 0.544 4.505 3.960 0.001 0.000 0.281 35 G C -1.247 173.657 174.900 0.007 0.000 1.223 35 G CA -0.686 44.360 45.100 -0.091 0.000 0.871 35 G HN 0.578 nan 8.290 nan 0.000 0.492 36 F N 1.196 121.166 119.950 0.035 0.000 2.595 36 F HA 0.454 4.981 4.527 0.001 0.000 0.359 36 F C 0.436 176.356 175.800 0.200 0.000 1.147 36 F CA 0.943 58.979 58.000 0.060 0.000 1.341 36 F CB 0.489 39.473 39.000 -0.027 0.000 1.104 36 F HN 0.532 nan 8.300 nan 0.000 0.603 37 Y N -0.450 120.022 120.300 0.286 0.000 2.581 37 Y HA 0.698 5.249 4.550 0.001 0.000 0.337 37 Y C -1.885 174.182 175.900 0.279 0.000 1.108 37 Y CA -1.811 56.412 58.100 0.204 0.000 1.033 37 Y CB 0.393 38.921 38.460 0.113 0.000 1.318 37 Y HN 0.235 nan 8.280 nan 0.000 0.459 38 V N 2.192 122.299 119.914 0.321 0.000 2.472 38 V HA 0.672 4.793 4.120 0.001 0.000 0.290 38 V C -0.458 175.846 176.094 0.350 0.000 1.037 38 V CA -0.472 61.992 62.300 0.274 0.000 0.908 38 V CB 1.510 33.502 31.823 0.282 0.000 0.985 38 V HN 0.818 nan 8.190 nan 0.000 0.454 39 S N 3.040 118.937 115.700 0.329 0.000 2.721 39 S HA 0.636 5.107 4.470 0.001 0.000 0.264 39 S C 0.275 175.004 174.600 0.215 0.000 1.161 39 S CA 0.510 58.888 58.200 0.296 0.000 1.113 39 S CB 0.340 63.720 63.200 0.299 0.000 1.079 39 S HN 1.808 nan 8.310 nan 0.000 0.479 40 G N 3.770 112.634 108.800 0.107 0.000 2.556 40 G HA2 -0.340 3.621 3.960 0.001 0.000 0.283 40 G HA3 -0.340 3.621 3.960 0.001 0.000 0.283 40 G C 0.855 175.758 174.900 0.005 0.000 1.177 40 G CA 0.847 45.962 45.100 0.026 0.000 0.978 40 G HN 1.637 nan 8.290 nan 0.000 0.554 41 T N -1.664 112.891 114.554 0.002 0.000 3.169 41 T HA 0.468 4.819 4.350 0.001 0.000 0.250 41 T C 0.770 175.448 174.700 -0.037 0.000 1.111 41 T CA 1.493 63.582 62.100 -0.018 0.000 1.010 41 T CB -0.028 68.822 68.868 -0.030 0.000 0.984 41 T HN 0.803 nan 8.240 nan 0.000 0.537 42 T N 2.670 117.207 114.554 -0.030 0.000 2.823 42 T HA 0.613 4.964 4.350 0.001 0.000 0.279 42 T C -0.929 173.657 174.700 -0.191 0.000 0.998 42 T CA -0.749 61.240 62.100 -0.186 0.000 0.994 42 T CB 1.836 70.473 68.868 -0.384 0.000 0.960 42 T HN 0.234 nan 8.240 nan 0.000 0.448 43 L N 4.107 125.185 121.223 -0.240 0.000 2.272 43 L HA 0.568 4.909 4.340 0.001 0.000 0.289 43 L C -1.617 175.113 176.870 -0.234 0.000 1.032 43 L CA -0.447 54.328 54.840 -0.108 0.000 0.810 43 L CB 0.095 42.145 42.059 -0.014 0.000 1.205 43 L HN 0.561 nan 8.230 nan 0.000 0.422 44 Y N 2.555 122.724 120.300 -0.218 0.000 2.387 44 Y HA 0.437 4.988 4.550 0.001 0.000 0.336 44 Y C 0.156 175.951 175.900 -0.174 0.000 1.067 44 Y CA -0.843 57.063 58.100 -0.324 0.000 1.114 44 Y CB 1.151 39.073 38.460 -0.896 0.000 1.208 44 Y HN 0.749 nan 8.280 nan 0.000 0.458 45 D N 0.609 121.008 120.400 -0.001 0.000 2.411 45 D HA 0.236 4.877 4.640 0.001 0.000 0.251 45 D C 1.062 177.211 176.300 -0.251 0.000 1.201 45 D CA -0.229 53.526 54.000 -0.408 0.000 0.996 45 D CB 0.664 41.197 40.800 -0.445 0.000 1.101 45 D HN 0.572 nan 8.370 nan 0.000 0.504 46 A N 0.258 122.822 122.820 -0.427 0.000 2.131 46 A HA -0.244 4.077 4.320 0.001 0.000 0.220 46 A C 1.536 179.078 177.584 -0.070 0.000 1.158 46 A CA 1.474 53.396 52.037 -0.191 0.000 0.665 46 A CB -1.095 17.732 19.000 -0.289 0.000 0.795 46 A HN 0.704 nan 8.150 nan 0.000 0.460 47 N N -1.435 117.217 118.700 -0.080 0.000 2.336 47 N HA 0.313 5.054 4.740 0.001 0.000 0.189 47 N C 0.870 176.411 175.510 0.053 0.000 1.113 47 N CA 0.386 53.419 53.050 -0.029 0.000 0.858 47 N CB 0.279 38.731 38.487 -0.058 0.000 0.970 47 N HN 0.564 nan 8.380 nan 0.000 0.471 48 G N 0.834 109.724 108.800 0.149 0.000 2.132 48 G HA2 -0.226 3.735 3.960 0.001 0.000 0.234 48 G HA3 -0.226 3.735 3.960 0.001 0.000 0.234 48 G C -0.653 174.406 174.900 0.266 0.000 0.989 48 G CA -0.482 44.755 45.100 0.229 0.000 0.676 48 G HN 0.266 nan 8.290 nan 0.000 0.522 49 N N 1.128 119.949 118.700 0.201 0.000 2.400 49 N HA 0.475 5.216 4.740 0.001 0.000 0.288 49 N C -2.813 172.771 175.510 0.124 0.000 1.024 49 N CA -1.450 51.703 53.050 0.171 0.000 0.894 49 N CB 1.790 40.327 38.487 0.084 0.000 1.173 49 N HN -0.012 nan 8.380 nan 0.000 0.487 50 P HA 0.001 nan 4.420 nan 0.000 0.264 50 P C -0.811 176.484 177.300 -0.009 0.000 1.183 50 P CA 0.327 63.276 63.100 -0.253 0.000 0.763 50 P CB 0.188 31.724 31.700 -0.272 0.000 0.807 51 F N 4.676 124.529 119.950 -0.162 0.000 2.477 51 F HA 0.433 4.961 4.527 0.001 0.000 0.335 51 F C -1.056 174.684 175.800 -0.101 0.000 1.130 51 F CA -0.941 57.030 58.000 -0.049 0.000 0.948 51 F CB 1.194 40.277 39.000 0.138 0.000 1.154 51 F HN -0.051 nan 8.300 nan 0.000 0.439 52 V N 7.817 127.297 119.914 -0.722 0.000 2.313 52 V HA 0.264 4.385 4.120 0.001 0.000 0.278 52 V C 0.257 175.801 176.094 -0.917 0.000 1.017 52 V CA -0.707 61.214 62.300 -0.630 0.000 0.823 52 V CB 1.108 32.697 31.823 -0.390 0.000 1.010 52 V HN 0.771 nan 8.190 nan 0.000 0.443 53 M N 5.771 124.893 119.600 -0.796 0.000 2.260 53 M HA 0.236 4.717 4.480 0.001 0.000 0.348 53 M C 0.210 176.129 176.300 -0.634 0.000 1.342 53 M CA 0.846 55.768 55.300 -0.631 0.000 1.040 53 M CB 0.126 32.570 32.600 -0.261 0.000 1.810 53 M HN 0.415 nan 8.290 nan 0.000 0.453 54 R N 2.839 122.971 120.500 -0.613 0.000 2.680 54 R HA 0.550 4.891 4.340 0.001 0.000 0.278 54 R C -0.463 175.549 176.300 -0.480 0.000 1.582 54 R CA -0.309 55.259 56.100 -0.886 0.000 1.177 54 R CB 1.411 31.252 30.300 -0.765 0.000 1.232 54 R HN 0.977 nan 8.270 nan 0.000 0.528 55 G N 1.160 109.788 108.800 -0.287 0.000 2.815 55 G HA2 0.689 4.650 3.960 0.001 0.000 0.305 55 G HA3 0.689 4.650 3.960 0.001 0.000 0.305 55 G C -1.164 173.811 174.900 0.125 0.000 1.277 55 G CA -0.442 44.634 45.100 -0.041 0.000 0.795 55 G HN 0.212 nan 8.290 nan 0.000 0.528 56 I N 0.536 121.152 120.570 0.077 0.000 2.769 56 I HA 0.316 4.487 4.170 0.001 0.000 0.298 56 I C -0.930 175.236 176.117 0.081 0.000 1.128 56 I CA -0.957 60.396 61.300 0.088 0.000 1.031 56 I CB 2.507 40.533 38.000 0.044 0.000 1.235 56 I HN 0.257 nan 8.210 nan 0.000 0.423 57 N N 2.860 121.607 118.700 0.079 0.000 2.499 57 N HA 0.232 4.972 4.740 0.001 0.000 0.281 57 N C -1.137 174.361 175.510 -0.019 0.000 1.098 57 N CA -0.252 52.817 53.050 0.031 0.000 0.979 57 N CB 1.143 39.615 38.487 -0.025 0.000 1.121 57 N HN 0.502 nan 8.380 nan 0.000 0.466 58 H N -0.274 118.759 119.070 -0.062 0.000 2.658 58 H HA 0.350 4.907 4.556 0.001 0.000 0.337 58 H C 0.173 175.530 175.328 0.049 0.000 1.009 58 H CA -0.699 55.362 56.048 0.022 0.000 1.231 58 H CB 0.858 30.637 29.762 0.029 0.000 1.508 58 H HN 0.633 nan 8.280 nan 0.000 0.517 59 G N 3.334 111.998 108.800 -0.226 0.000 3.284 59 G HA2 -0.077 3.884 3.960 0.001 0.000 0.251 59 G HA3 -0.077 3.884 3.960 0.001 0.000 0.251 59 G C 0.842 175.503 174.900 -0.399 0.000 0.913 59 G CA 0.235 45.251 45.100 -0.141 0.000 1.947 59 G HN 0.957 nan 8.290 nan 0.000 0.635 60 H N 1.910 120.469 119.070 -0.852 0.000 2.319 60 H HA -0.191 4.366 4.556 0.001 0.000 0.297 60 H C 2.503 177.607 175.328 -0.374 0.000 1.097 60 H CA 2.367 58.088 56.048 -0.545 0.000 1.285 60 H CB 0.052 29.639 29.762 -0.292 0.000 1.368 60 H HN 0.370 nan 8.280 nan 0.000 0.495 61 A N 0.487 122.794 122.820 -0.854 0.000 1.997 61 A HA -0.195 4.126 4.320 0.001 0.000 0.221 61 A C 1.903 178.999 177.584 -0.813 0.000 1.172 61 A CA 1.661 53.153 52.037 -0.909 0.000 0.645 61 A CB -0.996 17.411 19.000 -0.989 0.000 0.813 61 A HN 0.747 nan 8.150 nan 0.000 0.454 62 W N -2.908 118.081 121.300 -0.519 0.000 2.942 62 W HA 0.256 4.916 4.660 0.001 0.000 0.263 62 W C -0.248 175.791 176.519 -0.800 0.000 1.296 62 W CA 0.024 56.974 57.345 -0.657 0.000 1.504 62 W CB -0.350 28.650 29.460 -0.766 0.000 1.096 62 W HN 0.425 nan 8.180 nan 0.000 0.639 63 Y N 0.635 120.876 120.300 -0.099 0.000 2.477 63 Y HA 0.241 4.792 4.550 0.002 0.000 0.340 63 Y C 1.343 177.076 175.900 -0.277 0.000 0.987 63 Y CA -1.071 56.937 58.100 -0.153 0.000 1.127 63 Y CB -0.256 38.116 38.460 -0.147 0.000 1.139 63 Y HN -0.224 nan 8.280 nan 0.000 0.637 64 K N -0.274 119.987 120.400 -0.231 0.000 2.152 64 K HA -0.172 4.149 4.320 0.001 0.000 0.206 64 K C 0.563 177.159 176.600 -0.007 0.000 1.048 64 K CA 1.679 57.836 56.287 -0.217 0.000 0.933 64 K CB 0.137 32.532 32.500 -0.175 0.000 0.721 64 K HN 0.437 nan 8.250 nan 0.000 0.447 65 D N 0.780 121.151 120.400 -0.048 0.000 2.371 65 D HA -0.083 4.558 4.640 0.001 0.000 0.221 65 D C 1.426 177.663 176.300 -0.104 0.000 0.986 65 D CA 0.763 54.733 54.000 -0.050 0.000 0.899 65 D CB 0.178 40.946 40.800 -0.053 0.000 0.902 65 D HN 0.173 nan 8.370 nan 0.000 0.530 66 Q N -0.094 119.594 119.800 -0.186 0.000 2.360 66 Q HA 0.227 4.568 4.340 0.001 0.000 0.202 66 Q C 1.833 177.770 176.000 -0.105 0.000 0.915 66 Q CA -0.056 55.560 55.803 -0.312 0.000 0.943 66 Q CB 0.367 28.541 28.738 -0.940 0.000 1.064 66 Q HN 0.169 nan 8.270 nan 0.000 0.511 67 A N 0.972 123.821 122.820 0.048 0.000 1.869 67 A HA -0.252 4.069 4.320 0.001 0.000 0.218 67 A C 2.260 179.811 177.584 -0.055 0.000 1.203 67 A CA 2.455 54.539 52.037 0.078 0.000 0.638 67 A CB -0.948 18.113 19.000 0.101 0.000 0.831 67 A HN 0.359 nan 8.150 nan 0.000 0.450 68 T N -0.424 114.102 114.554 -0.047 0.000 2.674 68 T HA -0.120 4.231 4.350 0.001 0.000 0.265 68 T C 2.053 176.710 174.700 -0.072 0.000 1.039 68 T CA 1.976 64.039 62.100 -0.061 0.000 1.150 68 T CB -0.729 68.115 68.868 -0.039 0.000 0.864 68 T HN 0.594 nan 8.240 nan 0.000 0.427 69 T N 2.114 116.641 114.554 -0.045 0.000 2.684 69 T HA -0.095 4.256 4.350 0.001 0.000 0.267 69 T C 2.375 177.080 174.700 0.007 0.000 1.036 69 T CA 1.345 63.450 62.100 0.009 0.000 1.148 69 T CB -0.616 68.290 68.868 0.063 0.000 0.863 69 T HN 0.440 nan 8.240 nan 0.000 0.436 70 A N 0.964 123.747 122.820 -0.062 0.000 1.873 70 A HA 0.021 4.342 4.320 0.001 0.000 0.215 70 A C 2.322 179.569 177.584 -0.561 0.000 1.186 70 A CA 1.189 53.072 52.037 -0.256 0.000 0.616 70 A CB -0.760 17.914 19.000 -0.543 0.000 0.823 70 A HN 0.517 nan 8.150 nan 0.000 0.442 71 I N -0.325 119.991 120.570 -0.422 0.000 2.315 71 I HA -0.239 3.932 4.170 0.001 0.000 0.248 71 I C 2.435 178.373 176.117 -0.299 0.000 1.117 71 I CA 1.440 62.525 61.300 -0.359 0.000 1.404 71 I CB -0.403 37.464 38.000 -0.222 0.000 1.071 71 I HN 0.444 nan 8.210 nan 0.000 0.419 72 E N 0.711 120.783 120.200 -0.213 0.000 2.106 72 E HA -0.130 4.221 4.350 0.001 0.000 0.192 72 E C 2.327 178.825 176.600 -0.170 0.000 0.984 72 E CA 1.107 57.412 56.400 -0.158 0.000 0.806 72 E CB -0.286 29.359 29.700 -0.093 0.000 0.750 72 E HN 0.582 nan 8.360 nan 0.000 0.458 73 G N 1.516 110.205 108.800 -0.184 0.000 2.418 73 G HA2 -0.226 3.735 3.960 0.001 0.000 0.217 73 G HA3 -0.226 3.735 3.960 0.001 0.000 0.217 73 G C 1.611 176.274 174.900 -0.395 0.000 1.158 73 G CA 0.439 45.467 45.100 -0.120 0.000 0.771 73 G HN 0.110 nan 8.290 nan 0.000 0.545 74 I N 1.288 121.387 120.570 -0.785 0.000 2.315 74 I HA -0.117 4.054 4.170 0.001 0.000 0.248 74 I C 3.220 179.125 176.117 -0.354 0.000 1.117 74 I CA 0.800 61.635 61.300 -0.774 0.000 1.404 74 I CB -0.089 37.439 38.000 -0.787 0.000 1.071 74 I HN 0.239 nan 8.210 nan 0.000 0.419 75 A N 0.920 123.573 122.820 -0.279 0.000 1.933 75 A HA -0.190 4.131 4.320 0.001 0.000 0.218 75 A C 1.975 179.478 177.584 -0.136 0.000 1.175 75 A CA 1.619 53.544 52.037 -0.187 0.000 0.628 75 A CB -0.592 18.302 19.000 -0.178 0.000 0.814 75 A HN 0.403 nan 8.150 nan 0.000 0.444 76 N N 0.115 118.744 118.700 -0.117 0.000 2.443 76 N HA -0.113 4.628 4.740 0.001 0.000 0.184 76 N C 1.713 177.196 175.510 -0.046 0.000 1.037 76 N CA 1.754 54.765 53.050 -0.066 0.000 0.896 76 N CB -0.547 37.922 38.487 -0.030 0.000 0.959 76 N HN 0.743 nan 8.380 nan 0.000 0.442 77 T N -3.489 111.035 114.554 -0.049 0.000 3.085 77 T HA 0.186 4.537 4.350 0.001 0.000 0.263 77 T C 1.437 176.110 174.700 -0.045 0.000 1.127 77 T CA 0.975 63.065 62.100 -0.016 0.000 1.103 77 T CB 0.117 68.998 68.868 0.021 0.000 0.921 77 T HN 0.270 nan 8.240 nan 0.000 0.510 78 G N 1.005 109.764 108.800 -0.068 0.000 2.176 78 G HA2 0.013 3.974 3.960 0.001 0.000 0.232 78 G HA3 0.013 3.974 3.960 0.001 0.000 0.232 78 G C 0.322 175.177 174.900 -0.075 0.000 0.986 78 G CA -0.106 44.951 45.100 -0.071 0.000 0.643 78 G HN 1.151 nan 8.290 nan 0.000 0.522 79 A N 0.460 123.231 122.820 -0.082 0.000 2.520 79 A HA 0.532 4.852 4.320 0.001 0.000 0.235 79 A C 1.189 178.736 177.584 -0.060 0.000 1.065 79 A CA 1.047 53.030 52.037 -0.090 0.000 0.764 79 A CB 0.014 18.958 19.000 -0.092 0.000 1.002 79 A HN 1.153 nan 8.150 nan 0.000 0.502 80 N N -0.343 118.337 118.700 -0.033 0.000 2.205 80 N HA 0.091 4.832 4.740 0.001 0.000 0.201 80 N C -0.517 175.122 175.510 0.216 0.000 1.128 80 N CA 0.114 53.228 53.050 0.108 0.000 0.867 80 N CB 0.669 39.260 38.487 0.174 0.000 0.996 80 N HN 0.437 nan 8.380 nan 0.000 0.503 81 T N 0.543 115.155 114.554 0.098 0.000 2.923 81 T HA 0.334 4.685 4.350 0.001 0.000 0.311 81 T C -1.679 173.047 174.700 0.042 0.000 1.183 81 T CA -0.580 61.594 62.100 0.123 0.000 1.020 81 T CB 2.887 71.848 68.868 0.154 0.000 1.165 81 T HN -0.048 nan 8.240 nan 0.000 0.482 82 V N 2.535 122.477 119.914 0.046 0.000 2.577 82 V HA 0.710 4.831 4.120 0.001 0.000 0.303 82 V C -0.738 175.402 176.094 0.076 0.000 1.042 82 V CA -0.949 61.367 62.300 0.027 0.000 0.872 82 V CB 1.666 33.471 31.823 -0.031 0.000 0.998 82 V HN 0.821 nan 8.190 nan 0.000 0.423 83 R N 6.479 127.045 120.500 0.109 0.000 2.229 83 R HA 0.616 4.957 4.340 0.001 0.000 0.328 83 R C -1.021 175.368 176.300 0.148 0.000 1.009 83 R CA -0.436 55.754 56.100 0.150 0.000 0.864 83 R CB 0.873 31.298 30.300 0.208 0.000 1.085 83 R HN 0.778 nan 8.270 nan 0.000 0.453 84 I N 5.267 125.921 120.570 0.141 0.000 2.339 84 I HA 0.195 4.366 4.170 0.001 0.000 0.290 84 I C -0.202 175.976 176.117 0.101 0.000 0.994 84 I CA -1.122 60.245 61.300 0.110 0.000 1.191 84 I CB 1.952 40.003 38.000 0.085 0.000 1.343 84 I HN 0.334 nan 8.210 nan 0.000 0.458 85 V N 7.828 127.738 119.914 -0.007 0.000 2.439 85 V HA 0.209 4.330 4.120 0.001 0.000 0.271 85 V C 0.339 176.341 176.094 -0.154 0.000 1.040 85 V CA 0.080 62.308 62.300 -0.120 0.000 1.002 85 V CB 0.414 31.930 31.823 -0.512 0.000 1.000 85 V HN 0.476 nan 8.190 nan 0.000 0.477 86 L N 3.985 125.171 121.223 -0.062 0.000 2.319 86 L HA 0.673 5.014 4.340 0.001 0.000 0.267 86 L C 0.093 176.849 176.870 -0.191 0.000 1.011 86 L CA -0.355 54.436 54.840 -0.081 0.000 0.818 86 L CB 2.176 44.210 42.059 -0.040 0.000 1.316 86 L HN 0.599 nan 8.230 nan 0.000 0.432 87 S N -0.502 115.072 115.700 -0.210 0.000 2.482 87 S HA 0.303 4.773 4.470 0.001 0.000 0.303 87 S C -0.260 174.098 174.600 -0.404 0.000 1.091 87 S CA -0.733 57.377 58.200 -0.150 0.000 1.057 87 S CB 1.228 64.469 63.200 0.068 0.000 1.031 87 S HN 0.709 nan 8.310 nan 0.000 0.485 88 D N 2.484 122.596 120.400 -0.481 0.000 2.342 88 D HA 0.258 4.899 4.640 0.001 0.000 0.221 88 D C 1.263 177.458 176.300 -0.176 0.000 1.101 88 D CA 0.443 54.108 54.000 -0.557 0.000 0.837 88 D CB -0.305 40.131 40.800 -0.606 0.000 0.938 88 D HN 0.955 nan 8.370 nan 0.000 0.508 89 G N -0.592 108.142 108.800 -0.111 0.000 2.176 89 G HA2 -0.270 3.691 3.960 0.001 0.000 0.253 89 G HA3 -0.270 3.691 3.960 0.001 0.000 0.253 89 G C 1.201 176.039 174.900 -0.103 0.000 0.979 89 G CA 0.240 45.304 45.100 -0.060 0.000 0.641 89 G HN 0.643 nan 8.290 nan 0.000 0.530 90 G N -0.641 108.066 108.800 -0.155 0.000 2.402 90 G HA2 0.112 4.073 3.960 0.001 0.000 0.216 90 G HA3 0.112 4.073 3.960 0.001 0.000 0.216 90 G C 1.455 176.183 174.900 -0.287 0.000 1.162 90 G CA 1.744 46.727 45.100 -0.196 0.000 0.777 90 G HN 0.581 nan 8.290 nan 0.000 0.539 91 Q N -2.482 117.025 119.800 -0.488 0.000 2.313 91 Q HA 0.175 4.516 4.340 0.001 0.000 0.263 91 Q C 0.426 175.855 176.000 -0.952 0.000 0.820 91 Q CA -0.231 55.038 55.803 -0.890 0.000 0.974 91 Q CB 0.961 28.698 28.738 -1.669 0.000 1.156 91 Q HN 0.432 nan 8.270 nan 0.000 0.517 92 W N 0.708 122.036 121.300 0.046 0.000 3.518 92 W HA 0.386 5.047 4.660 0.002 0.000 0.331 92 W C -0.201 176.307 176.519 -0.019 0.000 1.205 92 W CA -0.727 56.639 57.345 0.036 0.000 0.956 92 W CB -0.219 29.269 29.460 0.047 0.000 1.645 92 W HN -0.333 nan 8.180 nan 0.000 0.615 93 T N 2.493 117.179 114.554 0.220 0.000 2.769 93 T HA 0.055 4.406 4.350 0.001 0.000 0.293 93 T C 0.248 174.986 174.700 0.063 0.000 0.931 93 T CA -0.033 62.124 62.100 0.095 0.000 1.139 93 T CB 0.233 69.138 68.868 0.061 0.000 0.881 93 T HN 0.116 nan 8.240 nan 0.000 0.532 94 K N 3.501 123.928 120.400 0.045 0.000 2.489 94 K HA -0.042 4.278 4.320 0.001 0.000 0.278 94 K C -0.384 176.263 176.600 0.078 0.000 1.000 94 K CA 0.002 56.315 56.287 0.043 0.000 1.012 94 K CB 0.340 32.876 32.500 0.060 0.000 0.903 94 K HN 0.494 nan 8.250 nan 0.000 0.485 95 D N 4.340 124.806 120.400 0.109 0.000 2.339 95 D HA 0.023 4.663 4.640 0.001 0.000 0.241 95 D C -0.339 176.073 176.300 0.187 0.000 1.183 95 D CA -0.210 53.886 54.000 0.161 0.000 0.859 95 D CB 0.996 41.912 40.800 0.194 0.000 1.067 95 D HN 0.584 nan 8.370 nan 0.000 0.484 96 D N 0.956 121.422 120.400 0.110 0.000 2.371 96 D HA -0.031 4.610 4.640 0.001 0.000 0.242 96 D C 1.386 177.702 176.300 0.026 0.000 1.218 96 D CA -0.569 53.467 54.000 0.059 0.000 0.945 96 D CB 1.172 41.994 40.800 0.036 0.000 1.137 96 D HN 0.269 nan 8.370 nan 0.000 0.464 97 I N -0.660 119.898 120.570 -0.021 0.000 2.335 97 I HA -0.315 3.856 4.170 0.001 0.000 0.251 97 I C 2.069 178.179 176.117 -0.011 0.000 1.129 97 I CA 1.427 62.704 61.300 -0.037 0.000 1.402 97 I CB -0.020 37.946 38.000 -0.056 0.000 1.069 97 I HN 0.390 nan 8.210 nan 0.000 0.424 98 Q N 0.204 120.004 119.800 -0.001 0.000 2.119 98 Q HA -0.159 4.182 4.340 0.001 0.000 0.201 98 Q C 1.977 177.981 176.000 0.006 0.000 0.972 98 Q CA 2.367 58.171 55.803 0.002 0.000 0.847 98 Q CB -0.443 28.298 28.738 0.005 0.000 0.903 98 Q HN 0.410 nan 8.270 nan 0.000 0.433 99 T N -0.317 114.248 114.554 0.019 0.000 2.737 99 T HA -0.081 4.270 4.350 0.001 0.000 0.265 99 T C 1.769 176.458 174.700 -0.019 0.000 1.038 99 T CA 1.375 63.485 62.100 0.017 0.000 1.144 99 T CB -0.332 68.579 68.868 0.072 0.000 0.866 99 T HN 0.103 nan 8.240 nan 0.000 0.434 100 V N 1.587 121.506 119.914 0.009 0.000 2.287 100 V HA -0.204 3.917 4.120 0.001 0.000 0.248 100 V C 2.644 178.741 176.094 0.006 0.000 1.053 100 V CA 1.681 63.993 62.300 0.019 0.000 1.027 100 V CB -0.569 31.283 31.823 0.050 0.000 0.646 100 V HN 0.386 nan 8.190 nan 0.000 0.447 101 R N 0.072 120.574 120.500 0.003 0.000 2.081 101 R HA -0.147 4.194 4.340 0.001 0.000 0.235 101 R C 2.244 178.539 176.300 -0.008 0.000 1.131 101 R CA 1.614 57.715 56.100 0.001 0.000 0.960 101 R CB -0.448 29.851 30.300 -0.002 0.000 0.856 101 R HN 0.538 nan 8.270 nan 0.000 0.436 102 N N 0.830 119.519 118.700 -0.018 0.000 2.142 102 N HA -0.114 4.627 4.740 0.001 0.000 0.186 102 N C 1.888 177.372 175.510 -0.044 0.000 1.023 102 N CA 1.049 54.083 53.050 -0.027 0.000 0.852 102 N CB -0.199 38.274 38.487 -0.023 0.000 0.998 102 N HN 0.186 nan 8.380 nan 0.000 0.424 103 L N 0.574 121.756 121.223 -0.069 0.000 2.056 103 L HA -0.058 4.283 4.340 0.001 0.000 0.207 103 L C 2.116 178.963 176.870 -0.040 0.000 1.078 103 L CA 0.803 55.590 54.840 -0.089 0.000 0.749 103 L CB -0.324 41.639 42.059 -0.159 0.000 0.901 103 L HN 0.098 nan 8.230 nan 0.000 0.433 104 I N -0.972 119.591 120.570 -0.011 0.000 2.252 104 I HA -0.257 3.913 4.170 0.001 0.000 0.245 104 I C 2.589 178.711 176.117 0.007 0.000 1.102 104 I CA 1.013 62.322 61.300 0.015 0.000 1.385 104 I CB -0.242 37.778 38.000 0.032 0.000 1.064 104 I HN 0.162 nan 8.210 nan 0.000 0.414 105 S N 0.937 116.634 115.700 -0.006 0.000 2.368 105 S HA -0.119 4.351 4.470 0.001 0.000 0.225 105 S C 2.017 176.597 174.600 -0.034 0.000 1.030 105 S CA 1.235 59.428 58.200 -0.012 0.000 0.999 105 S CB -0.343 62.847 63.200 -0.015 0.000 0.844 105 S HN 0.325 nan 8.310 nan 0.000 0.459 106 L N 1.016 122.212 121.223 -0.046 0.000 2.046 106 L HA -0.167 4.174 4.340 0.001 0.000 0.208 106 L C 2.777 179.593 176.870 -0.091 0.000 1.077 106 L CA 1.239 56.038 54.840 -0.069 0.000 0.747 106 L CB -0.684 41.331 42.059 -0.073 0.000 0.896 106 L HN 0.329 nan 8.230 nan 0.000 0.432 107 A N -0.141 122.637 122.820 -0.071 0.000 1.858 107 A HA -0.237 4.084 4.320 0.001 0.000 0.216 107 A C 2.162 179.667 177.584 -0.132 0.000 1.190 107 A CA 1.767 53.755 52.037 -0.081 0.000 0.617 107 A CB -0.544 18.447 19.000 -0.014 0.000 0.827 107 A HN 0.427 nan 8.150 nan 0.000 0.443 108 E N -0.189 119.978 120.200 -0.055 0.000 2.058 108 E HA -0.210 4.140 4.350 0.001 0.000 0.194 108 E C 1.467 177.957 176.600 -0.184 0.000 0.997 108 E CA 1.272 57.645 56.400 -0.046 0.000 0.801 108 E CB -0.271 29.485 29.700 0.094 0.000 0.746 108 E HN 0.519 nan 8.360 nan 0.000 0.450 109 D N 0.352 120.679 120.400 -0.121 0.000 2.265 109 D HA -0.098 4.543 4.640 0.001 0.000 0.208 109 D C 0.953 177.142 176.300 -0.185 0.000 0.977 109 D CA 0.774 54.701 54.000 -0.123 0.000 0.871 109 D CB -0.169 40.583 40.800 -0.082 0.000 0.925 109 D HN 0.117 nan 8.370 nan 0.000 0.485 110 N N 0.828 119.382 118.700 -0.243 0.000 2.238 110 N HA -0.001 4.740 4.740 0.001 0.000 0.222 110 N C -0.401 174.870 175.510 -0.398 0.000 1.133 110 N CA -0.105 52.790 53.050 -0.258 0.000 0.854 110 N CB 0.456 38.822 38.487 -0.203 0.000 1.041 110 N HN 0.009 nan 8.380 nan 0.000 0.510 111 N N 0.737 119.012 118.700 -0.709 0.000 2.735 111 N HA -0.182 4.559 4.740 0.001 0.000 0.248 111 N C -0.839 174.072 175.510 -0.998 0.000 1.083 111 N CA 0.768 52.996 53.050 -1.370 0.000 0.703 111 N CB -1.435 36.650 38.487 -0.669 0.000 1.005 111 N HN 0.410 nan 8.380 nan 0.000 0.550 112 L N 0.027 120.878 121.223 -0.619 0.000 2.329 112 L HA 0.504 4.845 4.340 0.001 0.000 0.279 112 L C 0.681 177.628 176.870 0.127 0.000 1.014 112 L CA -1.017 53.742 54.840 -0.136 0.000 0.814 112 L CB 1.939 43.929 42.059 -0.114 0.000 1.257 112 L HN -0.242 nan 8.230 nan 0.000 0.424 113 V N 2.256 122.337 119.914 0.278 0.000 2.614 113 V HA 0.364 4.484 4.120 0.001 0.000 0.291 113 V C 0.546 176.728 176.094 0.147 0.000 1.049 113 V CA -0.311 62.145 62.300 0.260 0.000 1.038 113 V CB 1.398 33.329 31.823 0.181 0.000 0.980 113 V HN 0.860 nan 8.190 nan 0.000 0.481 114 A N 5.182 128.073 122.820 0.118 0.000 2.271 114 A HA 0.692 5.013 4.320 0.001 0.000 0.317 114 A C -0.643 176.974 177.584 0.054 0.000 1.245 114 A CA -0.445 51.639 52.037 0.079 0.000 0.857 114 A CB 1.018 20.062 19.000 0.073 0.000 1.175 114 A HN 0.628 nan 8.150 nan 0.000 0.512 115 V N 5.113 125.065 119.914 0.063 0.000 2.318 115 V HA 0.252 4.372 4.120 0.001 0.000 0.271 115 V C -0.068 176.091 176.094 0.109 0.000 1.030 115 V CA -0.092 62.240 62.300 0.053 0.000 0.844 115 V CB 0.611 32.477 31.823 0.071 0.000 1.015 115 V HN 0.760 nan 8.190 nan 0.000 0.460 116 L N 5.568 126.859 121.223 0.114 0.000 2.334 116 L HA 0.712 5.053 4.340 0.001 0.000 0.277 116 L C -0.012 177.083 176.870 0.375 0.000 1.075 116 L CA -0.383 54.613 54.840 0.260 0.000 0.804 116 L CB 1.501 43.776 42.059 0.360 0.000 1.174 116 L HN 0.796 nan 8.230 nan 0.000 0.438 117 E N 1.631 122.110 120.200 0.465 0.000 2.331 117 E HA 0.523 4.874 4.350 0.001 0.000 0.275 117 E C -1.570 175.270 176.600 0.399 0.000 0.895 117 E CA -0.819 55.891 56.400 0.516 0.000 0.753 117 E CB 1.972 31.905 29.700 0.388 0.000 1.216 117 E HN 0.130 nan 8.360 nan 0.000 0.434 118 V N 3.033 123.161 119.914 0.355 0.000 2.383 118 V HA 0.160 4.281 4.120 0.001 0.000 0.275 118 V C 0.079 176.262 176.094 0.149 0.000 1.036 118 V CA -0.354 61.953 62.300 0.011 0.000 0.889 118 V CB 0.845 32.511 31.823 -0.262 0.000 0.985 118 V HN 0.875 nan 8.190 nan 0.000 0.459 119 H N 1.822 120.937 119.070 0.076 0.000 2.563 119 H HA 0.069 4.626 4.556 0.001 0.000 0.264 119 H C 1.389 176.934 175.328 0.362 0.000 0.957 119 H CA 0.714 56.904 56.048 0.236 0.000 1.173 119 H CB 0.371 30.239 29.762 0.177 0.000 1.420 119 H HN 0.785 nan 8.280 nan 0.000 0.551 120 D N -0.332 120.243 120.400 0.291 0.000 2.350 120 D HA -0.052 4.589 4.640 0.001 0.000 0.216 120 D C 1.312 177.427 176.300 -0.308 0.000 0.968 120 D CA 0.951 54.968 54.000 0.029 0.000 0.894 120 D CB 0.167 40.882 40.800 -0.143 0.000 0.909 120 D HN 0.410 nan 8.370 nan 0.000 0.520 121 A N 0.034 122.711 122.820 -0.239 0.000 2.465 121 A HA 0.145 4.466 4.320 0.001 0.000 0.255 121 A C 0.773 178.269 177.584 -0.148 0.000 1.274 121 A CA -0.322 51.480 52.037 -0.392 0.000 0.920 121 A CB -0.113 18.859 19.000 -0.046 0.000 1.033 121 A HN -0.003 nan 8.150 nan 0.000 0.516 122 T N 0.930 115.439 114.554 -0.076 0.000 2.778 122 T HA 0.358 4.709 4.350 0.001 0.000 0.282 122 T C 1.498 176.045 174.700 -0.256 0.000 0.983 122 T CA 1.513 63.557 62.100 -0.094 0.000 1.193 122 T CB 0.153 69.022 68.868 0.000 0.000 0.938 122 T HN 1.377 nan 8.240 nan 0.000 0.523 123 G N 2.806 111.119 108.800 -0.810 0.000 2.205 123 G HA2 -0.262 3.699 3.960 0.001 0.000 0.261 123 G HA3 -0.262 3.699 3.960 0.001 0.000 0.261 123 G C 0.020 174.551 174.900 -0.615 0.000 0.980 123 G CA -0.243 43.903 45.100 -1.591 0.000 0.632 123 G HN 0.663 nan 8.290 nan 0.000 0.533 124 Y N 1.015 121.031 120.300 -0.472 0.000 2.336 124 Y HA 0.475 5.026 4.550 0.001 0.000 0.331 124 Y C 1.302 176.876 175.900 -0.543 0.000 1.211 124 Y CA -0.261 57.656 58.100 -0.306 0.000 1.346 124 Y CB 0.842 39.276 38.460 -0.042 0.000 1.271 124 Y HN 0.011 nan 8.280 nan 0.000 0.538 125 D N -0.659 119.532 120.400 -0.349 0.000 2.392 125 D HA -0.001 4.639 4.640 0.001 0.000 0.206 125 D C 0.359 176.651 176.300 -0.013 0.000 1.046 125 D CA 0.349 53.968 54.000 -0.636 0.000 0.865 125 D CB 0.018 40.379 40.800 -0.732 0.000 0.969 125 D HN 0.436 nan 8.370 nan 0.000 0.509 126 S N 0.491 116.312 115.700 0.201 0.000 2.549 126 S HA 0.042 4.513 4.470 0.001 0.000 0.286 126 S C 1.356 176.252 174.600 0.492 0.000 1.314 126 S CA -0.555 57.831 58.200 0.310 0.000 1.062 126 S CB 1.030 64.382 63.200 0.253 0.000 0.865 126 S HN 0.214 nan 8.310 nan 0.000 0.498 127 I N 2.394 123.160 120.570 0.327 0.000 2.546 127 I HA -0.036 4.134 4.170 0.001 0.000 0.255 127 I C 2.305 178.443 176.117 0.035 0.000 1.163 127 I CA 1.169 62.575 61.300 0.178 0.000 1.457 127 I CB -0.670 37.393 38.000 0.105 0.000 1.092 127 I HN 0.897 nan 8.210 nan 0.000 0.434 128 A N 0.729 123.597 122.820 0.081 0.000 1.902 128 A HA -0.251 4.069 4.320 0.001 0.000 0.217 128 A C 2.487 180.071 177.584 0.000 0.000 1.181 128 A CA 2.219 54.276 52.037 0.033 0.000 0.623 128 A CB -1.032 18.003 19.000 0.058 0.000 0.818 128 A HN 0.621 nan 8.150 nan 0.000 0.443 129 S N -0.388 115.348 115.700 0.061 0.000 2.383 129 S HA -0.132 4.339 4.470 0.001 0.000 0.227 129 S C 1.865 176.376 174.600 -0.149 0.000 1.026 129 S CA 1.427 59.611 58.200 -0.028 0.000 0.981 129 S CB -0.618 62.590 63.200 0.012 0.000 0.818 129 S HN 0.461 nan 8.310 nan 0.000 0.472 130 L N 2.587 123.630 121.223 -0.300 0.000 2.056 130 L HA 0.073 4.414 4.340 0.001 0.000 0.207 130 L C 1.980 178.633 176.870 -0.361 0.000 1.078 130 L CA 1.727 56.180 54.840 -0.645 0.000 0.749 130 L CB -1.057 40.123 42.059 -1.465 0.000 0.901 130 L HN 0.196 nan 8.230 nan 0.000 0.433 131 N N -0.040 118.507 118.700 -0.254 0.000 2.223 131 N HA -0.212 4.528 4.740 0.001 0.000 0.185 131 N C 1.979 177.428 175.510 -0.100 0.000 1.016 131 N CA 1.254 54.212 53.050 -0.154 0.000 0.863 131 N CB -0.304 38.120 38.487 -0.106 0.000 0.983 131 N HN 0.427 nan 8.380 nan 0.000 0.429 132 R N 0.886 121.324 120.500 -0.104 0.000 2.092 132 R HA 0.008 4.349 4.340 0.001 0.000 0.231 132 R C 2.001 178.244 176.300 -0.094 0.000 1.119 132 R CA 1.291 57.341 56.100 -0.084 0.000 0.970 132 R CB -0.108 30.135 30.300 -0.095 0.000 0.864 132 R HN 0.130 nan 8.270 nan 0.000 0.440 133 A N 0.216 122.959 122.820 -0.128 0.000 1.898 133 A HA -0.069 4.252 4.320 0.001 0.000 0.216 133 A C 2.223 179.777 177.584 -0.049 0.000 1.181 133 A CA 1.437 53.385 52.037 -0.149 0.000 0.620 133 A CB -0.459 18.495 19.000 -0.076 0.000 0.819 133 A HN 0.216 nan 8.150 nan 0.000 0.442 134 V N 0.716 120.658 119.914 0.046 0.000 2.343 134 V HA -0.237 3.884 4.120 0.001 0.000 0.247 134 V C 2.116 178.277 176.094 0.111 0.000 1.051 134 V CA 2.276 64.673 62.300 0.161 0.000 1.036 134 V CB -0.824 31.023 31.823 0.041 0.000 0.654 134 V HN 0.482 nan 8.190 nan 0.000 0.451 135 D N -1.116 119.301 120.400 0.028 0.000 2.182 135 D HA -0.202 4.439 4.640 0.001 0.000 0.201 135 D C 1.875 178.182 176.300 0.012 0.000 0.986 135 D CA 1.415 55.424 54.000 0.015 0.000 0.847 135 D CB -0.255 40.542 40.800 -0.006 0.000 0.942 135 D HN 0.609 nan 8.370 nan 0.000 0.467 136 Y N -0.274 119.924 120.300 -0.170 0.000 2.163 136 Y HA -0.198 4.353 4.550 0.001 0.000 0.288 136 Y C 2.033 177.806 175.900 -0.210 0.000 1.136 136 Y CA 1.573 59.513 58.100 -0.267 0.000 1.147 136 Y CB -0.576 37.600 38.460 -0.474 0.000 0.987 136 Y HN -0.016 nan 8.280 nan 0.000 0.509 137 W N 0.270 121.620 121.300 0.084 0.000 2.363 137 W HA -0.187 4.474 4.660 0.001 0.000 0.296 137 W C 2.268 178.736 176.519 -0.085 0.000 1.212 137 W CA 1.076 58.415 57.345 -0.011 0.000 1.260 137 W CB -0.345 29.145 29.460 0.051 0.000 1.131 137 W HN 0.048 nan 8.180 nan 0.000 0.530 138 I N 0.148 120.806 120.570 0.147 0.000 2.252 138 I HA -0.276 3.895 4.170 0.001 0.000 0.245 138 I C 2.468 178.574 176.117 -0.018 0.000 1.102 138 I CA 1.578 62.912 61.300 0.056 0.000 1.385 138 I CB -0.607 37.416 38.000 0.038 0.000 1.064 138 I HN 0.064 nan 8.210 nan 0.000 0.414 139 E N 0.985 121.136 120.200 -0.083 0.000 2.110 139 E HA -0.216 4.135 4.350 0.001 0.000 0.193 139 E C 1.829 178.333 176.600 -0.161 0.000 0.988 139 E CA 1.138 57.461 56.400 -0.129 0.000 0.804 139 E CB 0.181 29.775 29.700 -0.175 0.000 0.745 139 E HN 0.290 nan 8.360 nan 0.000 0.458 140 M N 1.004 120.470 119.600 -0.224 0.000 2.453 140 M HA 0.090 4.571 4.480 0.001 0.000 0.239 140 M C 1.604 177.881 176.300 -0.039 0.000 1.151 140 M CA 0.336 55.527 55.300 -0.182 0.000 0.989 140 M CB -0.246 32.157 32.600 -0.328 0.000 1.548 140 M HN 0.165 nan 8.290 nan 0.000 0.479 141 R N 0.563 121.057 120.500 -0.009 0.000 2.139 141 R HA -0.130 4.211 4.340 0.001 0.000 0.243 141 R C 1.846 178.148 176.300 0.004 0.000 1.145 141 R CA 2.088 58.199 56.100 0.018 0.000 0.976 141 R CB -1.219 29.089 30.300 0.013 0.000 0.866 141 R HN 0.388 nan 8.270 nan 0.000 0.449 142 S N 0.433 116.126 115.700 -0.012 0.000 2.469 142 S HA 0.037 4.508 4.470 0.001 0.000 0.238 142 S C 1.933 176.529 174.600 -0.005 0.000 0.998 142 S CA 0.647 58.840 58.200 -0.011 0.000 0.957 142 S CB 0.130 63.319 63.200 -0.018 0.000 0.764 142 S HN 0.528 nan 8.310 nan 0.000 0.514 143 A N 0.352 123.172 122.820 0.001 0.000 2.267 143 A HA 0.577 4.897 4.320 0.001 0.000 0.213 143 A C 1.823 179.424 177.584 0.028 0.000 1.192 143 A CA -0.024 52.020 52.037 0.012 0.000 0.851 143 A CB -0.188 18.819 19.000 0.011 0.000 0.881 143 A HN 0.530 nan 8.150 nan 0.000 0.494 144 L N -0.995 120.246 121.223 0.029 0.000 2.547 144 L HA 0.357 4.697 4.340 0.001 0.000 0.218 144 L C 0.233 177.107 176.870 0.007 0.000 1.048 144 L CA 0.003 54.860 54.840 0.028 0.000 0.859 144 L CB -0.088 41.995 42.059 0.041 0.000 1.128 144 L HN 0.126 nan 8.230 nan 0.000 0.483 145 I N 1.531 122.101 120.570 0.001 0.000 2.517 145 I HA 0.144 4.315 4.170 0.001 0.000 0.285 145 I C 1.212 177.323 176.117 -0.009 0.000 1.106 145 I CA 0.832 62.127 61.300 -0.008 0.000 1.402 145 I CB 0.485 38.479 38.000 -0.011 0.000 1.399 145 I HN 0.401 nan 8.210 nan 0.000 0.535 146 G N 5.212 114.004 108.800 -0.014 0.000 2.195 146 G HA2 -0.198 3.762 3.960 0.001 0.000 0.224 146 G HA3 -0.198 3.762 3.960 0.001 0.000 0.224 146 G C 0.663 175.554 174.900 -0.016 0.000 0.990 146 G CA -0.476 44.614 45.100 -0.018 0.000 0.639 146 G HN 0.515 nan 8.290 nan 0.000 0.514 147 K N 0.451 120.848 120.400 -0.006 0.000 2.514 147 K HA 0.333 4.654 4.320 0.001 0.000 0.207 147 K C 1.327 177.934 176.600 0.012 0.000 1.035 147 K CA 0.095 56.384 56.287 0.004 0.000 1.113 147 K CB 0.756 33.268 32.500 0.021 0.000 0.846 147 K HN 0.397 nan 8.250 nan 0.000 0.491 148 E N 1.109 121.309 120.200 0.001 0.000 2.265 148 E HA -0.183 4.167 4.350 0.001 0.000 0.196 148 E C 1.095 177.716 176.600 0.034 0.000 0.996 148 E CA 1.493 57.910 56.400 0.028 0.000 0.832 148 E CB 0.005 29.710 29.700 0.009 0.000 0.756 148 E HN 0.349 nan 8.360 nan 0.000 0.491 149 D N -1.157 119.192 120.400 -0.084 0.000 2.349 149 D HA -0.045 4.596 4.640 0.001 0.000 0.215 149 D C 1.231 177.354 176.300 -0.295 0.000 1.016 149 D CA 1.194 55.017 54.000 -0.296 0.000 0.870 149 D CB -0.116 40.493 40.800 -0.319 0.000 0.917 149 D HN 0.265 nan 8.370 nan 0.000 0.524 150 T N -3.561 110.988 114.554 -0.007 0.000 3.046 150 T HA 0.312 4.663 4.350 0.001 0.000 0.270 150 T C 0.240 175.056 174.700 0.194 0.000 0.920 150 T CA -0.280 61.884 62.100 0.106 0.000 0.874 150 T CB 0.264 69.190 68.868 0.096 0.000 1.214 150 T HN -0.063 nan 8.240 nan 0.000 0.536 151 V N 2.227 122.231 119.914 0.149 0.000 2.487 151 V HA 0.592 4.713 4.120 0.001 0.000 0.298 151 V C -0.753 175.349 176.094 0.014 0.000 1.028 151 V CA -1.013 61.331 62.300 0.073 0.000 0.860 151 V CB 1.833 33.685 31.823 0.047 0.000 0.991 151 V HN 0.409 nan 8.190 nan 0.000 0.427 152 I N 5.254 125.782 120.570 -0.069 0.000 2.433 152 I HA 0.495 4.665 4.170 0.001 0.000 0.292 152 I C -0.563 175.445 176.117 -0.182 0.000 1.001 152 I CA -0.545 60.664 61.300 -0.153 0.000 1.119 152 I CB 2.125 39.979 38.000 -0.244 0.000 1.289 152 I HN 0.439 nan 8.210 nan 0.000 0.438 153 I N 5.599 125.999 120.570 -0.283 0.000 2.297 153 I HA 0.183 4.354 4.170 0.001 0.000 0.291 153 I C 0.216 176.103 176.117 -0.383 0.000 1.033 153 I CA -0.139 60.856 61.300 -0.508 0.000 1.253 153 I CB 0.576 38.097 38.000 -0.799 0.000 1.396 153 I HN 0.583 nan 8.210 nan 0.000 0.476 154 N N 7.016 125.587 118.700 -0.215 0.000 2.521 154 N HA 0.255 4.996 4.740 0.001 0.000 0.236 154 N C 1.281 176.845 175.510 0.090 0.000 1.067 154 N CA -0.367 52.672 53.050 -0.019 0.000 0.939 154 N CB 0.696 39.260 38.487 0.127 0.000 1.201 154 N HN 0.601 nan 8.380 nan 0.000 0.511 155 I N 2.028 122.611 120.570 0.023 0.000 2.121 155 I HA -0.294 3.876 4.170 0.001 0.000 0.243 155 I C 0.841 177.284 176.117 0.542 0.000 1.047 155 I CA 1.085 62.547 61.300 0.270 0.000 1.308 155 I CB -0.277 37.866 38.000 0.238 0.000 1.015 155 I HN 0.497 nan 8.210 nan 0.000 0.410 156 A N 0.516 123.576 122.820 0.400 0.000 2.491 156 A HA 0.288 4.609 4.320 0.001 0.000 0.293 156 A C -0.430 177.345 177.584 0.319 0.000 1.047 156 A CA -0.646 51.598 52.037 0.345 0.000 0.735 156 A CB 0.685 19.847 19.000 0.269 0.000 1.281 156 A HN 0.259 nan 8.150 nan 0.000 0.398 157 N N 2.309 121.153 118.700 0.241 0.000 2.440 157 N HA 0.028 4.769 4.740 0.001 0.000 0.265 157 N C -0.200 175.386 175.510 0.125 0.000 1.239 157 N CA 0.804 53.968 53.050 0.190 0.000 0.909 157 N CB 0.275 38.776 38.487 0.023 0.000 1.066 157 N HN 0.753 nan 8.380 nan 0.000 0.474 158 E N 1.482 121.761 120.200 0.131 0.000 2.238 158 E HA -0.265 4.085 4.350 0.001 0.000 0.219 158 E C -0.868 175.762 176.600 0.050 0.000 1.275 158 E CA 0.284 56.712 56.400 0.048 0.000 0.714 158 E CB -1.290 28.426 29.700 0.028 0.000 1.154 158 E HN 0.535 nan 8.360 nan 0.000 0.363 159 W N 1.050 122.417 121.300 0.112 0.000 2.190 159 W HA 0.296 4.957 4.660 0.001 0.000 0.330 159 W C 0.257 176.943 176.519 0.278 0.000 1.299 159 W CA -0.001 57.419 57.345 0.125 0.000 1.215 159 W CB 0.298 29.852 29.460 0.157 0.000 1.147 159 W HN 0.213 nan 8.180 nan 0.000 0.563 160 F N 5.273 124.540 119.950 -1.139 0.000 2.228 160 F HA -0.146 4.382 4.527 0.001 0.000 0.484 160 F C 1.177 176.662 175.800 -0.524 0.000 1.239 160 F CA 0.621 58.024 58.000 -0.994 0.000 1.558 160 F CB -1.040 37.370 39.000 -0.983 0.000 2.443 160 F HN 0.617 nan 8.300 nan 0.000 0.741 161 G N 2.292 110.669 108.800 -0.705 0.000 2.484 161 G HA2 0.082 4.043 3.960 0.001 0.000 0.218 161 G HA3 0.082 4.043 3.960 0.001 0.000 0.218 161 G C 0.733 175.617 174.900 -0.026 0.000 1.130 161 G CA 0.675 45.428 45.100 -0.579 0.000 0.784 161 G HN 0.548 nan 8.290 nan 0.000 0.543 162 S N -0.375 115.199 115.700 -0.210 0.000 2.592 162 S HA 0.239 4.709 4.470 0.001 0.000 0.271 162 S C -0.733 174.096 174.600 0.382 0.000 1.326 162 S CA -0.472 57.806 58.200 0.130 0.000 1.024 162 S CB 0.580 63.741 63.200 -0.065 0.000 0.921 162 S HN 0.343 nan 8.310 nan 0.000 0.527 163 W N 2.218 123.545 121.300 0.046 0.000 1.738 163 W HA 0.350 5.011 4.660 0.001 0.000 0.399 163 W C 0.211 176.776 176.519 0.076 0.000 0.744 163 W CA -0.697 56.537 57.345 -0.184 0.000 1.695 163 W CB -0.336 28.671 29.460 -0.754 0.000 1.820 163 W HN 0.429 nan 8.180 nan 0.000 0.262 164 D N 0.066 120.771 120.400 0.508 0.000 2.421 164 D HA 0.202 4.843 4.640 0.001 0.000 0.254 164 D C 1.321 177.725 176.300 0.173 0.000 1.238 164 D CA -0.233 53.991 54.000 0.372 0.000 0.919 164 D CB 1.325 42.340 40.800 0.358 0.000 1.152 164 D HN 0.393 nan 8.370 nan 0.000 0.552 165 G N 2.438 111.402 108.800 0.273 0.000 2.422 165 G HA2 -0.205 3.756 3.960 0.001 0.000 0.218 165 G HA3 -0.205 3.756 3.960 0.001 0.000 0.218 165 G C 1.353 176.018 174.900 -0.391 0.000 1.146 165 G CA 1.083 46.237 45.100 0.091 0.000 0.769 165 G HN 0.552 nan 8.290 nan 0.000 0.547 166 A N 1.127 123.569 122.820 -0.631 0.000 1.898 166 A HA 0.319 4.639 4.320 0.001 0.000 0.216 166 A C 2.799 180.160 177.584 -0.372 0.000 1.181 166 A CA 2.172 53.737 52.037 -0.786 0.000 0.620 166 A CB -0.737 18.046 19.000 -0.361 0.000 0.819 166 A HN 0.740 nan 8.150 nan 0.000 0.442 167 A N -1.551 121.096 122.820 -0.288 0.000 1.930 167 A HA -0.097 4.224 4.320 0.001 0.000 0.217 167 A C 1.961 179.264 177.584 -0.469 0.000 1.175 167 A CA 1.470 53.328 52.037 -0.298 0.000 0.627 167 A CB -0.855 18.017 19.000 -0.214 0.000 0.815 167 A HN 0.884 nan 8.150 nan 0.000 0.443 168 W N 0.897 121.645 121.300 -0.921 0.000 2.355 168 W HA -0.141 4.520 4.660 0.001 0.000 0.309 168 W C 2.325 178.856 176.519 0.020 0.000 1.206 168 W CA 2.283 59.289 57.345 -0.564 0.000 1.284 168 W CB -0.344 28.877 29.460 -0.399 0.000 1.145 168 W HN 0.317 nan 8.180 nan 0.000 0.502 169 A N 0.397 123.186 122.820 -0.053 0.000 1.902 169 A HA -0.230 4.091 4.320 0.001 0.000 0.217 169 A C 1.780 179.284 177.584 -0.133 0.000 1.181 169 A CA 2.083 54.004 52.037 -0.193 0.000 0.623 169 A CB -1.100 17.869 19.000 -0.051 0.000 0.818 169 A HN 0.373 nan 8.150 nan 0.000 0.443 170 D N -0.253 120.085 120.400 -0.104 0.000 2.149 170 D HA -0.120 4.520 4.640 0.001 0.000 0.198 170 D C 2.062 178.321 176.300 -0.068 0.000 0.990 170 D CA 1.513 55.478 54.000 -0.058 0.000 0.839 170 D CB -0.615 40.168 40.800 -0.028 0.000 0.948 170 D HN 0.460 nan 8.370 nan 0.000 0.460 171 G N -0.109 108.659 108.800 -0.054 0.000 2.421 171 G HA2 -0.270 3.691 3.960 0.001 0.000 0.216 171 G HA3 -0.270 3.691 3.960 0.001 0.000 0.216 171 G C 1.361 175.984 174.900 -0.461 0.000 1.171 171 G CA 0.469 45.419 45.100 -0.250 0.000 0.775 171 G HN 0.264 nan 8.290 nan 0.000 0.543 172 Y N 0.927 121.060 120.300 -0.279 0.000 2.373 172 Y HA 0.091 4.642 4.550 0.001 0.000 0.293 172 Y C 2.757 178.535 175.900 -0.203 0.000 1.129 172 Y CA 0.976 58.900 58.100 -0.294 0.000 1.226 172 Y CB 0.045 38.266 38.460 -0.398 0.000 1.000 172 Y HN 0.137 nan 8.280 nan 0.000 0.549 173 K N -0.009 120.366 120.400 -0.041 0.000 2.283 173 K HA -0.205 4.116 4.320 0.001 0.000 0.202 173 K C 1.843 178.415 176.600 -0.046 0.000 1.048 173 K CA 1.517 57.786 56.287 -0.030 0.000 0.948 173 K CB -0.009 32.480 32.500 -0.019 0.000 0.742 173 K HN 0.425 nan 8.250 nan 0.000 0.458 174 Q N -0.553 119.199 119.800 -0.079 0.000 2.373 174 Q HA 0.180 4.521 4.340 0.001 0.000 0.210 174 Q C 1.765 177.710 176.000 -0.091 0.000 0.913 174 Q CA 0.841 56.597 55.803 -0.079 0.000 0.911 174 Q CB -0.077 28.610 28.738 -0.083 0.000 1.040 174 Q HN 0.094 nan 8.270 nan 0.000 0.521 175 A N 1.381 124.125 122.820 -0.127 0.000 1.872 175 A HA 0.020 4.341 4.320 0.001 0.000 0.214 175 A C 2.161 179.716 177.584 -0.047 0.000 1.187 175 A CA 1.257 53.227 52.037 -0.112 0.000 0.614 175 A CB -0.730 18.157 19.000 -0.189 0.000 0.826 175 A HN 0.370 nan 8.150 nan 0.000 0.442 176 I N 0.106 120.659 120.570 -0.028 0.000 2.151 176 I HA -0.210 3.961 4.170 0.001 0.000 0.243 176 I C -0.572 175.512 176.117 -0.055 0.000 1.080 176 I CA 1.662 62.936 61.300 -0.045 0.000 1.339 176 I CB -1.249 36.714 38.000 -0.062 0.000 1.039 176 I HN 0.215 nan 8.210 nan 0.000 0.409 177 P HA -0.144 nan 4.420 nan 0.000 0.216 177 P C 1.464 178.740 177.300 -0.039 0.000 1.150 177 P CA 1.479 64.551 63.100 -0.047 0.000 0.837 177 P CB -0.094 31.581 31.700 -0.042 0.000 0.786 178 R N -0.737 119.742 120.500 -0.035 0.000 2.081 178 R HA -0.072 4.268 4.340 0.001 0.000 0.235 178 R C 2.341 178.632 176.300 -0.015 0.000 1.131 178 R CA 1.196 57.281 56.100 -0.025 0.000 0.960 178 R CB -1.148 29.137 30.300 -0.025 0.000 0.856 178 R HN 0.252 nan 8.270 nan 0.000 0.436 179 L N 0.288 121.503 121.223 -0.015 0.000 2.046 179 L HA -0.168 4.173 4.340 0.001 0.000 0.208 179 L C 2.597 179.450 176.870 -0.028 0.000 1.077 179 L CA 1.142 55.976 54.840 -0.010 0.000 0.747 179 L CB -0.363 41.678 42.059 -0.030 0.000 0.896 179 L HN 0.099 nan 8.230 nan 0.000 0.432 180 R N 0.261 120.735 120.500 -0.043 0.000 2.092 180 R HA -0.097 4.244 4.340 0.001 0.000 0.231 180 R C 1.837 178.116 176.300 -0.035 0.000 1.119 180 R CA 1.208 57.279 56.100 -0.047 0.000 0.970 180 R CB -1.248 29.016 30.300 -0.059 0.000 0.864 180 R HN 0.543 nan 8.270 nan 0.000 0.440 181 N N 0.616 119.298 118.700 -0.030 0.000 2.223 181 N HA -0.114 4.627 4.740 0.001 0.000 0.185 181 N C 1.374 176.872 175.510 -0.019 0.000 1.016 181 N CA 0.900 53.935 53.050 -0.025 0.000 0.863 181 N CB -0.027 38.446 38.487 -0.023 0.000 0.983 181 N HN 0.196 nan 8.380 nan 0.000 0.429 182 A N 0.208 123.019 122.820 -0.015 0.000 2.206 182 A HA 0.282 4.603 4.320 0.001 0.000 0.211 182 A C 1.596 179.173 177.584 -0.012 0.000 1.158 182 A CA 0.927 52.959 52.037 -0.009 0.000 0.761 182 A CB -0.196 18.806 19.000 0.004 0.000 0.801 182 A HN 0.367 nan 8.150 nan 0.000 0.473 183 G N -1.619 107.170 108.800 -0.018 0.000 2.179 183 G HA2 -0.173 3.788 3.960 0.001 0.000 0.220 183 G HA3 -0.173 3.788 3.960 0.001 0.000 0.220 183 G C 0.044 174.929 174.900 -0.024 0.000 0.990 183 G CA 0.003 45.090 45.100 -0.021 0.000 0.646 183 G HN 0.384 nan 8.290 nan 0.000 0.517 184 L N 1.147 122.354 121.223 -0.026 0.000 2.360 184 L HA 0.365 4.706 4.340 0.001 0.000 0.276 184 L C 0.817 177.658 176.870 -0.048 0.000 1.121 184 L CA -0.446 54.371 54.840 -0.037 0.000 0.845 184 L CB 0.633 42.663 42.059 -0.047 0.000 1.143 184 L HN 0.087 nan 8.230 nan 0.000 0.452 185 N N 1.712 120.387 118.700 -0.042 0.000 2.171 185 N HA 0.075 4.816 4.740 0.001 0.000 0.212 185 N C -0.223 175.270 175.510 -0.028 0.000 1.184 185 N CA -0.154 52.873 53.050 -0.037 0.000 0.888 185 N CB 0.245 38.715 38.487 -0.028 0.000 1.038 185 N HN 0.568 nan 8.380 nan 0.000 0.517 186 N N 0.589 119.263 118.700 -0.043 0.000 2.415 186 N HA 0.044 4.785 4.740 0.001 0.000 0.248 186 N C 0.079 175.560 175.510 -0.048 0.000 1.271 186 N CA 0.497 53.527 53.050 -0.032 0.000 0.913 186 N CB 0.400 38.840 38.487 -0.077 0.000 1.129 186 N HN -0.132 nan 8.380 nan 0.000 0.444 187 T N 1.345 115.892 114.554 -0.013 0.000 2.916 187 T HA 0.170 4.521 4.350 0.001 0.000 0.303 187 T C 0.226 174.847 174.700 -0.131 0.000 1.025 187 T CA -0.024 62.052 62.100 -0.040 0.000 1.142 187 T CB -0.040 68.812 68.868 -0.025 0.000 0.947 187 T HN 0.154 nan 8.240 nan 0.000 0.544 188 L N 3.378 124.506 121.223 -0.158 0.000 2.322 188 L HA 0.618 4.959 4.340 0.001 0.000 0.279 188 L C 0.073 176.799 176.870 -0.240 0.000 1.036 188 L CA -0.710 53.997 54.840 -0.222 0.000 0.807 188 L CB 1.531 43.451 42.059 -0.232 0.000 1.226 188 L HN 0.486 nan 8.230 nan 0.000 0.433 189 M N 4.092 123.552 119.600 -0.234 0.000 2.243 189 M HA 0.518 4.998 4.480 0.001 0.000 0.324 189 M C -1.503 174.658 176.300 -0.232 0.000 1.031 189 M CA -0.612 54.562 55.300 -0.211 0.000 0.949 189 M CB 1.544 34.085 32.600 -0.097 0.000 1.615 189 M HN 0.376 nan 8.290 nan 0.000 0.430 190 I N 3.947 124.310 120.570 -0.345 0.000 2.362 190 I HA 0.340 4.510 4.170 0.001 0.000 0.289 190 I C -0.669 175.469 176.117 0.035 0.000 0.994 190 I CA -0.561 60.536 61.300 -0.339 0.000 1.158 190 I CB 1.233 38.826 38.000 -0.679 0.000 1.315 190 I HN 0.606 nan 8.210 nan 0.000 0.451 191 D N 4.507 124.992 120.400 0.142 0.000 2.350 191 D HA 0.408 5.049 4.640 0.001 0.000 0.249 191 D C 0.528 177.035 176.300 0.344 0.000 1.119 191 D CA 0.117 54.225 54.000 0.180 0.000 0.886 191 D CB 1.446 42.303 40.800 0.095 0.000 1.195 191 D HN 0.659 nan 8.370 nan 0.000 0.437 192 A N 1.644 124.521 122.820 0.095 0.000 2.429 192 A HA 0.522 4.843 4.320 0.001 0.000 0.242 192 A C 0.579 177.990 177.584 -0.288 0.000 1.088 192 A CA -0.011 51.892 52.037 -0.222 0.000 0.784 192 A CB 0.124 18.954 19.000 -0.284 0.000 1.038 192 A HN 0.619 nan 8.150 nan 0.000 0.501 193 A N -0.372 122.009 122.820 -0.732 0.000 2.262 193 A HA 0.545 4.865 4.320 0.001 0.000 0.273 193 A C 1.465 178.882 177.584 -0.279 0.000 1.202 193 A CA 0.397 52.233 52.037 -0.334 0.000 0.811 193 A CB -0.863 17.959 19.000 -0.296 0.000 1.159 193 A HN 2.780 nan 8.150 nan 0.000 0.505 194 G N -2.746 105.875 108.800 -0.298 0.000 2.272 194 G HA2 -0.156 3.805 3.960 0.001 0.000 0.280 194 G HA3 -0.156 3.805 3.960 0.001 0.000 0.280 194 G C 0.203 175.117 174.900 0.023 0.000 1.067 194 G CA 0.619 45.332 45.100 -0.646 0.000 0.902 194 G HN 1.761 nan 8.290 nan 0.000 0.500 195 W N -2.303 118.933 121.300 -0.108 0.000 4.435 195 W HA -0.088 4.573 4.660 0.001 0.000 0.351 195 W C 1.781 178.300 176.519 0.000 0.000 1.319 195 W CA 1.662 59.019 57.345 0.019 0.000 0.791 195 W CB -1.728 27.804 29.460 0.119 0.000 2.419 195 W HN 2.115 nan 8.180 nan 0.000 1.406 196 G N -1.825 106.983 108.800 0.014 0.000 2.205 196 G HA2 -0.382 3.579 3.960 0.001 0.000 0.261 196 G HA3 -0.382 3.579 3.960 0.001 0.000 0.261 196 G C 0.898 175.803 174.900 0.008 0.000 0.980 196 G CA 0.497 45.530 45.100 -0.111 0.000 0.632 196 G HN 0.479 nan 8.290 nan 0.000 0.533 197 Q N -0.909 118.916 119.800 0.041 0.000 2.246 197 Q HA 0.380 4.721 4.340 0.001 0.000 0.202 197 Q C 0.292 176.229 176.000 -0.105 0.000 0.883 197 Q CA -0.236 55.627 55.803 0.099 0.000 0.952 197 Q CB 0.384 29.363 28.738 0.402 0.000 1.078 197 Q HN 0.633 nan 8.270 nan 0.000 0.493 198 F N 2.699 122.307 119.950 -0.570 0.000 2.438 198 F HA 0.276 4.804 4.527 0.001 0.000 0.315 198 F C -1.776 173.838 175.800 -0.310 0.000 1.258 198 F CA -2.683 54.969 58.000 -0.580 0.000 1.180 198 F CB 1.143 39.578 39.000 -0.942 0.000 1.412 198 F HN -0.036 nan 8.300 nan 0.000 0.544 199 P HA -0.247 nan 4.420 nan 0.000 0.223 199 P C 1.283 178.356 177.300 -0.378 0.000 1.144 199 P CA 1.129 64.087 63.100 -0.238 0.000 0.783 199 P CB 0.063 31.719 31.700 -0.072 0.000 0.771 200 Q N 1.038 120.537 119.800 -0.501 0.000 2.226 200 Q HA -0.131 4.210 4.340 0.001 0.000 0.204 200 Q C 2.210 177.809 176.000 -0.668 0.000 0.975 200 Q CA 1.988 57.501 55.803 -0.484 0.000 0.866 200 Q CB -0.263 28.279 28.738 -0.328 0.000 0.915 200 Q HN 0.331 nan 8.270 nan 0.000 0.440 201 S N 0.038 115.038 115.700 -1.167 0.000 2.368 201 S HA -0.172 4.299 4.470 0.001 0.000 0.225 201 S C 1.839 176.114 174.600 -0.542 0.000 1.030 201 S CA 1.252 58.934 58.200 -0.864 0.000 0.999 201 S CB -0.551 61.889 63.200 -1.266 0.000 0.844 201 S HN 0.446 nan 8.310 nan 0.000 0.459 202 I N 1.407 121.631 120.570 -0.577 0.000 2.286 202 I HA -0.128 4.043 4.170 0.001 0.000 0.245 202 I C 2.808 178.767 176.117 -0.263 0.000 1.104 202 I CA 1.763 62.846 61.300 -0.361 0.000 1.397 202 I CB -0.601 37.197 38.000 -0.337 0.000 1.072 202 I HN 0.364 nan 8.210 nan 0.000 0.417 203 H N 1.300 120.196 119.070 -0.290 0.000 2.352 203 H HA -0.194 4.363 4.556 0.001 0.000 0.299 203 H C 1.705 176.898 175.328 -0.224 0.000 1.097 203 H CA 2.109 58.022 56.048 -0.225 0.000 1.311 203 H CB 0.002 29.653 29.762 -0.185 0.000 1.377 203 H HN 0.233 nan 8.280 nan 0.000 0.504 204 D N -0.948 119.275 120.400 -0.294 0.000 2.137 204 D HA -0.086 4.555 4.640 0.001 0.000 0.202 204 D C 0.922 176.849 176.300 -0.622 0.000 0.970 204 D CA 1.181 54.889 54.000 -0.487 0.000 0.837 204 D CB -0.018 40.490 40.800 -0.486 0.000 0.981 204 D HN 0.525 nan 8.370 nan 0.000 0.475 205 Y N -0.510 119.778 120.300 -0.019 0.000 2.500 205 Y HA 0.338 4.889 4.550 0.001 0.000 0.246 205 Y C 2.155 178.126 175.900 0.119 0.000 1.146 205 Y CA -0.257 57.903 58.100 0.100 0.000 1.230 205 Y CB 0.352 38.963 38.460 0.251 0.000 1.214 205 Y HN -0.101 nan 8.280 nan 0.000 0.526 206 G N 0.641 109.484 108.800 0.072 0.000 2.469 206 G HA2 -0.330 3.631 3.960 0.001 0.000 0.219 206 G HA3 -0.330 3.631 3.960 0.001 0.000 0.219 206 G C 1.769 176.638 174.900 -0.052 0.000 1.150 206 G CA 1.131 46.099 45.100 -0.220 0.000 0.763 206 G HN 0.197 nan 8.290 nan 0.000 0.561 207 R N 0.796 121.271 120.500 -0.042 0.000 2.081 207 R HA 0.000 4.341 4.340 0.001 0.000 0.235 207 R C 2.528 178.940 176.300 0.186 0.000 1.131 207 R CA 1.704 57.841 56.100 0.062 0.000 0.960 207 R CB -0.462 29.824 30.300 -0.023 0.000 0.856 207 R HN 0.545 nan 8.270 nan 0.000 0.436 208 E N -0.811 119.482 120.200 0.155 0.000 2.077 208 E HA -0.149 4.202 4.350 0.001 0.000 0.193 208 E C 1.893 178.598 176.600 0.176 0.000 0.989 208 E CA 1.513 58.012 56.400 0.165 0.000 0.800 208 E CB -0.029 29.784 29.700 0.188 0.000 0.746 208 E HN 0.123 nan 8.360 nan 0.000 0.452 209 V N 1.092 121.134 119.914 0.214 0.000 2.358 209 V HA -0.236 3.885 4.120 0.001 0.000 0.246 209 V C 2.012 178.252 176.094 0.244 0.000 1.047 209 V CA 1.678 64.089 62.300 0.185 0.000 1.035 209 V CB -0.501 31.433 31.823 0.185 0.000 0.658 209 V HN 0.226 nan 8.190 nan 0.000 0.452 210 F N 1.895 121.997 119.950 0.252 0.000 2.126 210 F HA -0.187 4.341 4.527 0.001 0.000 0.299 210 F C 2.238 178.096 175.800 0.097 0.000 1.096 210 F CA 1.841 59.964 58.000 0.205 0.000 1.255 210 F CB -0.313 38.844 39.000 0.261 0.000 0.997 210 F HN 0.193 nan 8.300 nan 0.000 0.479 211 N N 0.578 119.399 118.700 0.202 0.000 2.520 211 N HA -0.050 4.691 4.740 0.001 0.000 0.185 211 N C 1.678 177.173 175.510 -0.025 0.000 1.068 211 N CA 0.941 54.030 53.050 0.066 0.000 0.911 211 N CB -0.417 38.151 38.487 0.134 0.000 0.961 211 N HN 0.421 nan 8.380 nan 0.000 0.446 212 A N -0.093 122.714 122.820 -0.021 0.000 2.169 212 A HA -0.039 4.281 4.320 0.001 0.000 0.212 212 A C 0.625 178.152 177.584 -0.094 0.000 1.153 212 A CA 0.167 52.181 52.037 -0.038 0.000 0.756 212 A CB 0.035 19.026 19.000 -0.014 0.000 0.813 212 A HN 0.034 nan 8.150 nan 0.000 0.471 213 D N 0.149 120.443 120.400 -0.176 0.000 2.380 213 D HA 0.223 4.864 4.640 0.001 0.000 0.230 213 D C -1.477 174.695 176.300 -0.213 0.000 1.154 213 D CA -2.306 51.562 54.000 -0.220 0.000 0.859 213 D CB 1.308 41.908 40.800 -0.335 0.000 1.045 213 D HN 0.076 nan 8.370 nan 0.000 0.495 214 P HA -0.160 nan 4.420 nan 0.000 0.221 214 P C 0.721 177.953 177.300 -0.113 0.000 1.145 214 P CA 1.022 64.059 63.100 -0.105 0.000 0.795 214 P CB 0.443 32.099 31.700 -0.073 0.000 0.775 215 Q N -1.178 118.542 119.800 -0.133 0.000 2.360 215 Q HA 0.110 4.451 4.340 0.001 0.000 0.202 215 Q C 0.026 175.941 176.000 -0.142 0.000 0.915 215 Q CA -0.300 55.437 55.803 -0.109 0.000 0.943 215 Q CB 0.085 28.772 28.738 -0.085 0.000 1.064 215 Q HN -0.017 nan 8.270 nan 0.000 0.511 216 R N 1.444 121.766 120.500 -0.296 0.000 3.225 216 R HA -0.183 4.158 4.340 0.001 0.000 0.245 216 R C -0.662 175.500 176.300 -0.229 0.000 0.928 216 R CA 0.475 56.248 56.100 -0.545 0.000 0.632 216 R CB -2.434 27.729 30.300 -0.228 0.000 1.038 216 R HN 0.250 nan 8.270 nan 0.000 0.461 217 N N 0.206 118.793 118.700 -0.188 0.000 2.703 217 N HA 0.167 4.908 4.740 0.001 0.000 0.283 217 N C -1.438 174.058 175.510 -0.023 0.000 1.851 217 N CA -0.086 52.976 53.050 0.020 0.000 0.826 217 N CB 1.003 39.511 38.487 0.035 0.000 1.239 217 N HN 0.093 nan 8.380 nan 0.000 0.495 218 T N 1.710 116.285 114.554 0.035 0.000 2.886 218 T HA 0.553 4.904 4.350 0.001 0.000 0.292 218 T C -0.042 174.670 174.700 0.020 0.000 1.012 218 T CA -0.655 61.404 62.100 -0.068 0.000 0.982 218 T CB 1.400 70.151 68.868 -0.194 0.000 1.018 218 T HN 0.365 nan 8.240 nan 0.000 0.451 219 M N 1.244 120.719 119.600 -0.208 0.000 2.761 219 M HA 0.850 5.331 4.480 0.001 0.000 0.305 219 M C -1.671 174.353 176.300 -0.460 0.000 1.235 219 M CA -0.870 54.351 55.300 -0.131 0.000 0.850 219 M CB 1.659 34.247 32.600 -0.020 0.000 1.744 219 M HN 0.395 nan 8.290 nan 0.000 0.480 220 F N -0.215 119.771 119.950 0.060 0.000 2.579 220 F HA 0.728 5.256 4.527 0.001 0.000 0.324 220 F C 0.067 175.909 175.800 0.070 0.000 1.058 220 F CA -0.678 57.365 58.000 0.073 0.000 0.944 220 F CB 2.254 41.313 39.000 0.099 0.000 1.245 220 F HN 0.718 nan 8.300 nan 0.000 0.477 221 S N 1.810 117.664 115.700 0.255 0.000 2.536 221 S HA 0.781 5.252 4.470 0.001 0.000 0.287 221 S C -1.189 173.516 174.600 0.174 0.000 1.101 221 S CA -0.475 57.849 58.200 0.207 0.000 0.950 221 S CB 0.753 64.084 63.200 0.218 0.000 1.056 221 S HN 0.498 nan 8.310 nan 0.000 0.481 222 I N 3.781 124.463 120.570 0.186 0.000 2.474 222 I HA 0.375 4.546 4.170 0.001 0.000 0.294 222 I C -0.313 175.975 176.117 0.285 0.000 1.005 222 I CA -0.694 60.692 61.300 0.143 0.000 1.113 222 I CB 1.801 39.856 38.000 0.092 0.000 1.289 222 I HN 0.685 nan 8.210 nan 0.000 0.436 223 H N 6.877 125.992 119.070 0.074 0.000 2.724 223 H HA 0.381 4.938 4.556 0.001 0.000 0.278 223 H C -0.529 174.745 175.328 -0.090 0.000 1.159 223 H CA -0.701 55.356 56.048 0.014 0.000 1.254 223 H CB 0.881 30.730 29.762 0.146 0.000 1.412 223 H HN 0.350 nan 8.280 nan 0.000 0.488 224 M N 4.401 123.948 119.600 -0.088 0.000 2.264 224 M HA 0.110 4.591 4.480 0.001 0.000 0.340 224 M C -0.919 175.202 176.300 -0.298 0.000 1.420 224 M CA 0.370 55.607 55.300 -0.104 0.000 1.254 224 M CB -0.051 32.514 32.600 -0.059 0.000 1.575 224 M HN 0.587 nan 8.290 nan 0.000 0.452 225 Y N 0.949 121.263 120.300 0.023 0.000 3.326 225 Y HA 0.160 4.710 4.550 0.001 0.000 0.306 225 Y C 1.737 177.604 175.900 -0.054 0.000 1.652 225 Y CA -0.501 57.535 58.100 -0.107 0.000 0.810 225 Y CB -0.086 38.144 38.460 -0.382 0.000 1.269 225 Y HN 0.549 nan 8.280 nan 0.000 0.744 226 E N 0.098 120.347 120.200 0.080 0.000 2.338 226 E HA -0.168 4.183 4.350 0.001 0.000 0.197 226 E C 0.929 177.513 176.600 -0.027 0.000 1.007 226 E CA 1.699 58.061 56.400 -0.063 0.000 0.849 226 E CB -0.355 29.235 29.700 -0.184 0.000 0.774 226 E HN 0.704 nan 8.360 nan 0.000 0.506 227 Y N 0.819 121.266 120.300 0.245 0.000 2.353 227 Y HA 0.404 4.955 4.550 0.002 0.000 0.294 227 Y C 2.659 178.694 175.900 0.226 0.000 1.135 227 Y CA 0.436 58.681 58.100 0.242 0.000 1.176 227 Y CB -0.723 37.959 38.460 0.370 0.000 1.124 227 Y HN 0.147 nan 8.280 nan 0.000 0.537 228 A N -0.453 122.586 122.820 0.366 0.000 2.123 228 A HA 0.328 4.649 4.320 0.001 0.000 0.214 228 A C 1.835 179.500 177.584 0.135 0.000 1.152 228 A CA 1.242 53.424 52.037 0.240 0.000 0.728 228 A CB -0.735 18.388 19.000 0.204 0.000 0.814 228 A HN 0.392 nan 8.150 nan 0.000 0.464 229 G N -1.440 107.428 108.800 0.113 0.000 4.683 229 G HA2 0.390 4.351 3.960 0.001 0.000 0.273 229 G HA3 0.390 4.351 3.960 0.001 0.000 0.273 229 G C 0.879 175.812 174.900 0.055 0.000 1.065 229 G CA 0.698 45.831 45.100 0.055 0.000 0.837 229 G HN 0.441 nan 8.290 nan 0.000 0.526 230 G N 1.054 109.901 108.800 0.079 0.000 2.432 230 G HA2 0.015 3.976 3.960 0.001 0.000 0.219 230 G HA3 0.015 3.976 3.960 0.001 0.000 0.219 230 G C 0.698 175.622 174.900 0.040 0.000 1.135 230 G CA 0.787 45.926 45.100 0.065 0.000 0.767 230 G HN 0.658 nan 8.290 nan 0.000 0.550 231 N N -2.368 116.349 118.700 0.028 0.000 2.853 231 N HA 0.443 5.184 4.740 0.001 0.000 0.258 231 N C 1.061 176.560 175.510 -0.018 0.000 1.444 231 N CA -0.197 52.858 53.050 0.008 0.000 0.837 231 N CB 1.165 39.657 38.487 0.009 0.000 1.489 231 N HN -0.083 nan 8.380 nan 0.000 0.529 232 A N 0.727 123.527 122.820 -0.034 0.000 1.917 232 A HA -0.211 4.109 4.320 0.001 0.000 0.219 232 A C 2.281 179.799 177.584 -0.111 0.000 1.182 232 A CA 2.537 54.529 52.037 -0.075 0.000 0.633 232 A CB -1.083 17.876 19.000 -0.070 0.000 0.819 232 A HN 0.746 nan 8.150 nan 0.000 0.448 233 S N -1.031 114.622 115.700 -0.078 0.000 2.368 233 S HA -0.244 4.226 4.470 0.001 0.000 0.225 233 S C 2.179 176.735 174.600 -0.072 0.000 1.030 233 S CA 1.790 59.941 58.200 -0.082 0.000 0.999 233 S CB -0.372 62.800 63.200 -0.046 0.000 0.844 233 S HN 0.680 nan 8.310 nan 0.000 0.459 234 Q N -0.110 119.669 119.800 -0.035 0.000 2.079 234 Q HA -0.062 4.279 4.340 0.001 0.000 0.200 234 Q C 2.304 178.291 176.000 -0.022 0.000 0.974 234 Q CA 1.700 57.501 55.803 -0.005 0.000 0.840 234 Q CB -0.248 28.514 28.738 0.040 0.000 0.898 234 Q HN 0.467 nan 8.270 nan 0.000 0.430 235 V N 0.968 120.853 119.914 -0.048 0.000 2.255 235 V HA -0.315 3.806 4.120 0.001 0.000 0.247 235 V C 2.237 178.277 176.094 -0.090 0.000 1.051 235 V CA 1.970 64.235 62.300 -0.059 0.000 1.018 235 V CB -0.528 31.245 31.823 -0.084 0.000 0.641 235 V HN 0.324 nan 8.190 nan 0.000 0.445 236 R N 0.302 120.654 120.500 -0.246 0.000 2.073 236 R HA -0.146 4.194 4.340 0.001 0.000 0.234 236 R C 2.516 178.744 176.300 -0.120 0.000 1.134 236 R CA 2.054 57.895 56.100 -0.432 0.000 0.952 236 R CB -0.929 28.922 30.300 -0.748 0.000 0.850 236 R HN 0.761 nan 8.270 nan 0.000 0.433 237 T N -1.431 113.065 114.554 -0.096 0.000 2.821 237 T HA -0.108 4.242 4.350 0.001 0.000 0.267 237 T C 1.538 176.223 174.700 -0.024 0.000 1.046 237 T CA 1.577 63.649 62.100 -0.048 0.000 1.139 237 T CB -0.451 68.387 68.868 -0.051 0.000 0.871 237 T HN 0.326 nan 8.240 nan 0.000 0.454 238 N N 0.823 119.517 118.700 -0.009 0.000 2.188 238 N HA 0.100 4.841 4.740 0.001 0.000 0.184 238 N C 1.876 177.399 175.510 0.022 0.000 1.018 238 N CA 1.075 54.127 53.050 0.004 0.000 0.858 238 N CB -0.278 38.226 38.487 0.027 0.000 0.989 238 N HN 0.366 nan 8.380 nan 0.000 0.426 239 I N 1.102 121.709 120.570 0.062 0.000 2.202 239 I HA -0.219 3.952 4.170 0.001 0.000 0.242 239 I C 1.465 177.633 176.117 0.085 0.000 1.091 239 I CA 1.030 62.387 61.300 0.096 0.000 1.368 239 I CB -0.181 37.935 38.000 0.194 0.000 1.058 239 I HN 0.082 nan 8.210 nan 0.000 0.410 240 D N 1.127 121.594 120.400 0.111 0.000 2.149 240 D HA -0.189 4.452 4.640 0.001 0.000 0.198 240 D C 2.444 178.761 176.300 0.029 0.000 0.990 240 D CA 1.588 55.635 54.000 0.078 0.000 0.839 240 D CB -0.317 40.531 40.800 0.080 0.000 0.948 240 D HN 0.288 nan 8.370 nan 0.000 0.460 241 R N 0.702 121.195 120.500 -0.012 0.000 2.237 241 R HA 0.020 4.361 4.340 0.001 0.000 0.219 241 R C 2.298 178.655 176.300 0.095 0.000 1.080 241 R CA 0.880 56.954 56.100 -0.044 0.000 0.995 241 R CB -1.219 28.954 30.300 -0.212 0.000 0.875 241 R HN 0.223 nan 8.270 nan 0.000 0.462 242 V N 0.236 120.168 119.914 0.030 0.000 2.492 242 V HA 0.018 4.139 4.120 0.001 0.000 0.241 242 V C 2.490 178.577 176.094 -0.012 0.000 1.041 242 V CA 1.007 63.303 62.300 -0.007 0.000 1.057 242 V CB -0.179 31.637 31.823 -0.012 0.000 0.711 242 V HN 0.453 nan 8.190 nan 0.000 0.468 243 L N 1.818 123.044 121.223 0.005 0.000 2.083 243 L HA -0.171 4.170 4.340 0.001 0.000 0.209 243 L C 2.255 179.119 176.870 -0.010 0.000 1.083 243 L CA 1.938 56.773 54.840 -0.008 0.000 0.752 243 L CB -0.872 41.183 42.059 -0.007 0.000 0.899 243 L HN 0.615 nan 8.230 nan 0.000 0.433 244 N N -1.001 117.709 118.700 0.016 0.000 2.571 244 N HA -0.174 4.567 4.740 0.001 0.000 0.189 244 N C 1.404 176.910 175.510 -0.007 0.000 1.154 244 N CA 0.674 53.736 53.050 0.019 0.000 0.907 244 N CB -0.220 38.297 38.487 0.050 0.000 0.977 244 N HN 0.306 nan 8.380 nan 0.000 0.449 245 Q N -0.023 119.751 119.800 -0.044 0.000 2.280 245 Q HA 0.055 4.395 4.340 0.001 0.000 0.201 245 Q C -0.408 175.513 176.000 -0.131 0.000 0.890 245 Q CA 0.099 55.833 55.803 -0.116 0.000 0.947 245 Q CB -0.053 28.574 28.738 -0.186 0.000 1.081 245 Q HN 0.342 nan 8.270 nan 0.000 0.502 246 D N 0.249 120.591 120.400 -0.097 0.000 2.716 246 D HA -0.169 4.472 4.640 0.001 0.000 0.239 246 D C -1.251 174.947 176.300 -0.171 0.000 1.125 246 D CA 0.458 54.394 54.000 -0.107 0.000 0.681 246 D CB -1.114 39.625 40.800 -0.101 0.000 1.070 246 D HN 0.213 nan 8.370 nan 0.000 0.432 247 L N -0.363 120.783 121.223 -0.129 0.000 2.362 247 L HA 0.804 5.145 4.340 0.001 0.000 0.271 247 L C 0.767 177.647 176.870 0.016 0.000 1.002 247 L CA -1.084 53.700 54.840 -0.094 0.000 0.818 247 L CB 1.861 43.863 42.059 -0.094 0.000 1.298 247 L HN 0.123 nan 8.230 nan 0.000 0.420 248 A N 2.642 125.509 122.820 0.079 0.000 2.388 248 A HA 0.627 4.947 4.320 0.001 0.000 0.257 248 A C -0.805 176.855 177.584 0.127 0.000 1.095 248 A CA -0.117 51.963 52.037 0.072 0.000 0.791 248 A CB 0.763 19.801 19.000 0.063 0.000 1.029 248 A HN 0.553 nan 8.150 nan 0.000 0.489 249 L N 2.677 123.943 121.223 0.072 0.000 2.388 249 L HA 0.835 5.175 4.340 0.001 0.000 0.264 249 L C -1.030 175.877 176.870 0.060 0.000 0.998 249 L CA -0.584 54.313 54.840 0.095 0.000 0.817 249 L CB 2.212 44.317 42.059 0.077 0.000 1.338 249 L HN 0.749 nan 8.230 nan 0.000 0.414 250 V N 4.915 124.885 119.914 0.094 0.000 2.888 250 V HA 0.544 4.665 4.120 0.001 0.000 0.309 250 V C -1.069 175.116 176.094 0.150 0.000 1.114 250 V CA -0.609 61.749 62.300 0.096 0.000 0.940 250 V CB 2.304 34.179 31.823 0.086 0.000 1.021 250 V HN 0.634 nan 8.190 nan 0.000 0.426 251 I N 6.438 127.110 120.570 0.171 0.000 2.224 251 I HA 0.258 4.429 4.170 0.001 0.000 0.293 251 I C 1.748 178.043 176.117 0.296 0.000 1.155 251 I CA 0.613 62.025 61.300 0.187 0.000 1.297 251 I CB -0.009 38.027 38.000 0.061 0.000 1.487 251 I HN 0.836 nan 8.210 nan 0.000 0.564 252 G N 5.191 114.181 108.800 0.317 0.000 2.499 252 G HA2 -0.148 3.813 3.960 0.001 0.000 0.221 252 G HA3 -0.148 3.813 3.960 0.001 0.000 0.221 252 G C 0.618 175.656 174.900 0.230 0.000 1.109 252 G CA 0.510 45.806 45.100 0.327 0.000 0.749 252 G HN 0.578 nan 8.290 nan 0.000 0.568 253 E N -1.641 118.632 120.200 0.121 0.000 2.372 253 E HA 0.525 4.875 4.350 0.001 0.000 0.279 253 E C -1.499 175.102 176.600 0.001 0.000 0.946 253 E CA -0.860 55.548 56.400 0.014 0.000 0.769 253 E CB 2.485 31.909 29.700 -0.461 0.000 1.230 253 E HN 0.181 nan 8.360 nan 0.000 0.442 254 F N -0.898 118.924 119.950 -0.213 0.000 2.770 254 F HA 0.802 5.329 4.527 0.001 0.000 0.313 254 F C -0.790 175.047 175.800 0.061 0.000 1.154 254 F CA -0.605 57.160 58.000 -0.392 0.000 0.923 254 F CB 0.928 39.825 39.000 -0.172 0.000 1.301 254 F HN 0.514 nan 8.300 nan 0.000 0.449 255 G N -0.422 108.383 108.800 0.007 0.000 2.866 255 G HA2 0.455 4.416 3.960 0.001 0.000 0.289 255 G HA3 0.455 4.416 3.960 0.001 0.000 0.289 255 G C -1.024 173.641 174.900 -0.392 0.000 1.396 255 G CA -0.235 44.731 45.100 -0.223 0.000 0.848 255 G HN 1.205 nan 8.290 nan 0.000 0.515 256 H N -1.651 116.891 119.070 -0.880 0.000 2.563 256 H HA 0.394 4.951 4.556 0.002 0.000 0.264 256 H C 0.863 176.081 175.328 -0.183 0.000 0.957 256 H CA 0.490 56.270 56.048 -0.445 0.000 1.173 256 H CB 0.188 29.645 29.762 -0.509 0.000 1.420 256 H HN 0.599 nan 8.280 nan 0.000 0.551 257 R N -1.644 118.567 120.500 -0.482 0.000 2.774 257 R HA 0.379 4.720 4.340 0.001 0.000 0.279 257 R C -1.872 174.447 176.300 0.033 0.000 1.022 257 R CA -0.924 55.043 56.100 -0.223 0.000 0.855 257 R CB 1.223 31.326 30.300 -0.329 0.000 1.279 257 R HN 0.295 nan 8.270 nan 0.000 0.485 258 H N -1.191 117.851 119.070 -0.046 0.000 3.015 258 H HA 0.242 4.798 4.556 0.001 0.000 0.282 258 H C 0.166 175.536 175.328 0.070 0.000 1.508 258 H CA -0.223 55.876 56.048 0.085 0.000 1.209 258 H CB 2.609 32.348 29.762 -0.040 0.000 1.869 258 H HN 0.669 nan 8.280 nan 0.000 0.591 259 T N 0.396 114.807 114.554 -0.237 0.000 2.592 259 T HA -0.196 4.155 4.350 0.001 0.000 0.267 259 T C 0.994 175.613 174.700 -0.134 0.000 1.060 259 T CA 1.775 63.760 62.100 -0.192 0.000 1.167 259 T CB -0.307 68.412 68.868 -0.249 0.000 0.863 259 T HN 0.456 nan 8.240 nan 0.000 0.431 260 N N 1.353 119.975 118.700 -0.130 0.000 2.273 260 N HA 0.403 5.144 4.740 0.001 0.000 0.231 260 N C 0.417 175.894 175.510 -0.054 0.000 1.134 260 N CA 0.185 53.191 53.050 -0.072 0.000 0.856 260 N CB 1.296 39.780 38.487 -0.005 0.000 1.068 260 N HN 0.563 nan 8.380 nan 0.000 0.510 261 G N -0.150 108.613 108.800 -0.061 0.000 2.320 261 G HA2 0.001 3.962 3.960 0.001 0.000 0.297 261 G HA3 0.001 3.962 3.960 0.001 0.000 0.297 261 G C -2.027 172.853 174.900 -0.033 0.000 1.344 261 G CA -0.801 44.275 45.100 -0.040 0.000 0.851 261 G HN 0.047 nan 8.290 nan 0.000 0.567 262 D N -1.202 119.185 120.400 -0.021 0.000 2.344 262 D HA 0.526 5.167 4.640 0.001 0.000 0.244 262 D C 0.082 176.391 176.300 0.016 0.000 1.134 262 D CA 0.061 54.053 54.000 -0.013 0.000 0.930 262 D CB 1.607 42.405 40.800 -0.003 0.000 1.175 262 D HN 0.367 nan 8.370 nan 0.000 0.437 263 V N 2.581 122.508 119.914 0.023 0.000 2.588 263 V HA 0.188 4.309 4.120 0.001 0.000 0.304 263 V C -0.323 175.804 176.094 0.056 0.000 1.042 263 V CA -0.907 61.421 62.300 0.047 0.000 0.877 263 V CB 1.755 33.615 31.823 0.063 0.000 0.996 263 V HN 0.569 nan 8.190 nan 0.000 0.425 264 D N 3.666 124.094 120.400 0.046 0.000 2.608 264 D HA 0.050 4.691 4.640 0.001 0.000 0.224 264 D C 1.489 177.818 176.300 0.048 0.000 1.123 264 D CA -0.138 53.886 54.000 0.041 0.000 1.030 264 D CB 0.628 41.435 40.800 0.011 0.000 1.093 264 D HN 0.736 nan 8.370 nan 0.000 0.497 265 E N 0.684 120.955 120.200 0.119 0.000 2.204 265 E HA -0.154 4.197 4.350 0.001 0.000 0.195 265 E C 1.076 177.722 176.600 0.078 0.000 0.990 265 E CA 0.582 57.094 56.400 0.186 0.000 0.821 265 E CB -0.137 29.809 29.700 0.411 0.000 0.750 265 E HN 0.191 nan 8.360 nan 0.000 0.477 266 S N 0.953 116.701 115.700 0.081 0.000 2.353 266 S HA -0.126 4.345 4.470 0.001 0.000 0.222 266 S C 2.077 176.679 174.600 0.003 0.000 1.035 266 S CA 1.958 60.197 58.200 0.064 0.000 1.025 266 S CB -0.540 62.707 63.200 0.079 0.000 0.902 266 S HN 0.431 nan 8.310 nan 0.000 0.440 267 T N 2.486 117.028 114.554 -0.020 0.000 2.821 267 T HA 0.092 4.443 4.350 0.001 0.000 0.267 267 T C 1.743 176.396 174.700 -0.078 0.000 1.046 267 T CA 0.829 62.899 62.100 -0.051 0.000 1.139 267 T CB -0.384 68.444 68.868 -0.066 0.000 0.871 267 T HN 0.280 nan 8.240 nan 0.000 0.454 268 I N 0.800 121.284 120.570 -0.143 0.000 2.163 268 I HA -0.228 3.943 4.170 0.001 0.000 0.243 268 I C 2.470 178.398 176.117 -0.315 0.000 1.085 268 I CA 1.563 62.699 61.300 -0.274 0.000 1.347 268 I CB -0.327 37.345 38.000 -0.547 0.000 1.044 268 I HN 0.273 nan 8.210 nan 0.000 0.408 269 M N -0.007 119.396 119.600 -0.329 0.000 2.156 269 M HA -0.141 4.339 4.480 0.001 0.000 0.264 269 M C 2.554 178.786 176.300 -0.114 0.000 1.067 269 M CA 1.970 57.137 55.300 -0.221 0.000 1.131 269 M CB -0.360 32.155 32.600 -0.142 0.000 1.368 269 M HN 0.334 nan 8.290 nan 0.000 0.416 270 S N -0.458 115.087 115.700 -0.257 0.000 2.371 270 S HA -0.150 4.321 4.470 0.001 0.000 0.224 270 S C 1.922 176.351 174.600 -0.285 0.000 1.029 270 S CA 0.759 58.578 58.200 -0.636 0.000 0.978 270 S CB -0.872 62.005 63.200 -0.538 0.000 0.833 270 S HN 0.468 nan 8.310 nan 0.000 0.466 271 Y N 2.616 122.778 120.300 -0.231 0.000 2.263 271 Y HA 0.084 4.635 4.550 0.001 0.000 0.292 271 Y C 2.656 178.496 175.900 -0.100 0.000 1.130 271 Y CA 0.860 58.873 58.100 -0.145 0.000 1.179 271 Y CB -0.641 37.754 38.460 -0.107 0.000 0.998 271 Y HN 0.294 nan 8.280 nan 0.000 0.532 272 S N -0.242 115.442 115.700 -0.026 0.000 2.399 272 S HA -0.185 4.285 4.470 0.001 0.000 0.231 272 S C 1.838 176.403 174.600 -0.058 0.000 1.022 272 S CA 1.396 59.584 58.200 -0.019 0.000 0.983 272 S CB -0.214 63.094 63.200 0.181 0.000 0.803 272 S HN 0.455 nan 8.310 nan 0.000 0.480 273 E N 1.796 121.966 120.200 -0.049 0.000 2.072 273 E HA -0.120 4.231 4.350 0.001 0.000 0.190 273 E C 2.096 178.632 176.600 -0.106 0.000 0.982 273 E CA 1.195 57.568 56.400 -0.044 0.000 0.803 273 E CB -0.352 29.352 29.700 0.007 0.000 0.755 273 E HN 0.572 nan 8.360 nan 0.000 0.453 274 Q N -0.031 119.662 119.800 -0.178 0.000 2.084 274 Q HA -0.123 4.217 4.340 0.001 0.000 0.202 274 Q C 1.393 177.250 176.000 -0.239 0.000 0.978 274 Q CA 1.311 56.999 55.803 -0.192 0.000 0.844 274 Q CB 0.060 28.666 28.738 -0.220 0.000 0.898 274 Q HN 0.142 nan 8.270 nan 0.000 0.426 275 R N -0.869 119.421 120.500 -0.350 0.000 2.388 275 R HA 0.146 4.486 4.340 0.001 0.000 0.247 275 R C 0.582 176.766 176.300 -0.194 0.000 0.931 275 R CA 0.520 56.436 56.100 -0.307 0.000 1.082 275 R CB 0.615 30.637 30.300 -0.462 0.000 1.135 275 R HN 0.427 nan 8.270 nan 0.000 0.525 276 G N 1.667 110.370 108.800 -0.161 0.000 2.273 276 G HA2 -0.254 3.707 3.960 0.001 0.000 0.280 276 G HA3 -0.254 3.707 3.960 0.001 0.000 0.280 276 G C 0.065 174.881 174.900 -0.140 0.000 1.047 276 G CA 0.184 45.199 45.100 -0.142 0.000 0.869 276 G HN 0.157 nan 8.290 nan 0.000 0.502 277 V N 0.218 120.061 119.914 -0.118 0.000 2.481 277 V HA 0.738 4.859 4.120 0.001 0.000 0.286 277 V C 1.300 177.350 176.094 -0.073 0.000 1.042 277 V CA 0.004 62.258 62.300 -0.077 0.000 0.928 277 V CB 1.589 33.389 31.823 -0.039 0.000 0.986 277 V HN 0.671 nan 8.190 nan 0.000 0.462 278 G N 4.407 113.151 108.800 -0.093 0.000 2.572 278 G HA2 0.524 4.484 3.960 0.001 0.000 0.261 278 G HA3 0.524 4.484 3.960 0.001 0.000 0.261 278 G C -0.694 174.234 174.900 0.046 0.000 1.197 278 G CA -0.419 44.590 45.100 -0.152 0.000 0.870 278 G HN 0.893 nan 8.290 nan 0.000 0.548 279 W N -0.531 120.756 121.300 -0.022 0.000 3.213 279 W HA 0.642 5.302 4.660 0.001 0.000 0.318 279 W C -2.297 174.339 176.519 0.195 0.000 1.248 279 W CA -1.272 56.115 57.345 0.070 0.000 1.187 279 W CB 1.083 30.512 29.460 -0.053 0.000 1.403 279 W HN 0.362 nan 8.180 nan 0.000 0.556 280 L N 2.781 124.474 121.223 0.783 0.000 2.441 280 L HA 0.576 4.916 4.340 0.001 0.000 0.270 280 L C 0.249 177.461 176.870 0.570 0.000 0.973 280 L CA -0.791 54.399 54.840 0.583 0.000 0.842 280 L CB 1.633 43.895 42.059 0.339 0.000 1.239 280 L HN 0.610 nan 8.230 nan 0.000 0.406 281 A N 3.186 126.227 122.820 0.368 0.000 2.371 281 A HA 0.366 4.687 4.320 0.001 0.000 0.257 281 A C -1.088 176.565 177.584 0.116 0.000 1.089 281 A CA -0.263 51.683 52.037 -0.152 0.000 0.794 281 A CB 0.668 19.372 19.000 -0.494 0.000 1.029 281 A HN 0.797 nan 8.150 nan 0.000 0.488 282 W N 2.891 124.239 121.300 0.079 0.000 2.417 282 W HA 0.544 5.205 4.660 0.001 0.000 0.315 282 W C -0.477 176.280 176.519 0.396 0.000 1.045 282 W CA -0.037 57.444 57.345 0.226 0.000 1.221 282 W CB 1.699 31.303 29.460 0.241 0.000 1.309 282 W HN 1.005 nan 8.180 nan 0.000 0.453 283 S N 4.609 120.306 115.700 -0.004 0.000 2.625 283 S HA 0.255 4.725 4.470 0.001 0.000 0.271 283 S C 0.364 174.889 174.600 -0.124 0.000 1.161 283 S CA -0.845 57.079 58.200 -0.460 0.000 0.820 283 S CB 1.469 63.725 63.200 -1.573 0.000 1.137 283 S HN 0.737 nan 8.310 nan 0.000 0.470 284 W N 1.872 123.023 121.300 -0.249 0.000 2.298 284 W HA -0.007 4.654 4.660 0.001 0.000 0.328 284 W C 0.656 177.006 176.519 -0.281 0.000 1.259 284 W CA 1.948 59.184 57.345 -0.181 0.000 1.251 284 W CB -0.186 29.248 29.460 -0.042 0.000 1.161 284 W HN 0.868 nan 8.180 nan 0.000 0.466 285 K N -2.573 117.632 120.400 -0.325 0.000 2.625 285 K HA 0.361 4.682 4.320 0.001 0.000 0.284 285 K C -0.195 176.075 176.600 -0.550 0.000 0.984 285 K CA 0.172 56.023 56.287 -0.727 0.000 0.865 285 K CB 0.923 32.517 32.500 -1.510 0.000 1.468 285 K HN 0.105 nan 8.250 nan 0.000 0.407 286 G N 1.056 109.578 108.800 -0.463 0.000 2.163 286 G HA2 -0.191 3.770 3.960 0.001 0.000 0.213 286 G HA3 -0.191 3.770 3.960 0.001 0.000 0.213 286 G C -0.461 174.515 174.900 0.126 0.000 0.991 286 G CA -0.153 44.842 45.100 -0.176 0.000 0.653 286 G HN 0.526 nan 8.290 nan 0.000 0.518 287 N N 1.168 119.900 118.700 0.054 0.000 2.479 287 N HA 0.406 5.147 4.740 0.001 0.000 0.257 287 N C 1.164 176.741 175.510 0.111 0.000 1.232 287 N CA 0.896 54.023 53.050 0.128 0.000 0.920 287 N CB 0.823 39.409 38.487 0.166 0.000 1.105 287 N HN 0.456 nan 8.380 nan 0.000 0.444 288 G N 1.406 110.295 108.800 0.149 0.000 2.667 288 G HA2 0.109 4.070 3.960 0.001 0.000 0.250 288 G HA3 0.109 4.070 3.960 0.001 0.000 0.250 288 G C -1.362 173.566 174.900 0.047 0.000 1.212 288 G CA -0.824 44.341 45.100 0.108 0.000 0.874 288 G HN 0.344 nan 8.290 nan 0.000 0.561 289 P HA -0.166 nan 4.420 nan 0.000 0.216 289 P C 1.549 178.756 177.300 -0.154 0.000 1.154 289 P CA 1.509 64.571 63.100 -0.063 0.000 0.865 289 P CB 0.269 31.931 31.700 -0.062 0.000 0.789 290 E N -2.075 117.937 120.200 -0.313 0.000 2.265 290 E HA -0.151 4.200 4.350 0.001 0.000 0.196 290 E C 0.670 176.776 176.600 -0.824 0.000 0.996 290 E CA 0.956 56.953 56.400 -0.672 0.000 0.832 290 E CB -0.345 28.633 29.700 -1.203 0.000 0.756 290 E HN 0.342 nan 8.360 nan 0.000 0.491 291 W N 0.570 121.721 121.300 -0.248 0.000 2.190 291 W HA 0.171 4.832 4.660 0.001 0.000 0.337 291 W C 0.542 176.719 176.519 -0.571 0.000 0.911 291 W CA 0.143 57.130 57.345 -0.597 0.000 1.925 291 W CB -0.190 29.056 29.460 -0.356 0.000 1.134 291 W HN 0.259 nan 8.180 nan 0.000 0.536 292 E N 0.581 120.683 120.200 -0.164 0.000 2.267 292 E HA -0.272 4.078 4.350 0.001 0.000 0.197 292 E C 1.432 178.015 176.600 -0.028 0.000 0.998 292 E CA 1.606 57.971 56.400 -0.059 0.000 0.830 292 E CB -0.993 28.701 29.700 -0.010 0.000 0.751 292 E HN 0.422 nan 8.360 nan 0.000 0.491 293 Y N 0.270 120.633 120.300 0.104 0.000 2.639 293 Y HA 0.148 4.699 4.550 0.001 0.000 0.297 293 Y C 1.651 177.669 175.900 0.198 0.000 1.151 293 Y CA 0.235 58.416 58.100 0.135 0.000 1.335 293 Y CB -0.339 38.183 38.460 0.104 0.000 0.994 293 Y HN -0.047 nan 8.280 nan 0.000 0.548 294 L N 0.246 121.448 121.223 -0.036 0.000 2.592 294 L HA 0.131 4.472 4.340 0.001 0.000 0.227 294 L C -0.138 176.992 176.870 0.434 0.000 1.127 294 L CA -0.046 54.898 54.840 0.174 0.000 0.884 294 L CB -0.241 41.935 42.059 0.195 0.000 1.065 294 L HN 0.045 nan 8.230 nan 0.000 0.457 295 D N 0.423 120.959 120.400 0.227 0.000 2.425 295 D HA 0.072 4.713 4.640 0.001 0.000 0.247 295 D C 1.044 177.407 176.300 0.105 0.000 1.147 295 D CA 0.295 54.325 54.000 0.050 0.000 0.879 295 D CB 1.419 42.147 40.800 -0.119 0.000 1.179 295 D HN 0.001 nan 8.370 nan 0.000 0.456 296 L N 0.925 122.074 121.223 -0.123 0.000 2.270 296 L HA 0.047 4.388 4.340 0.001 0.000 0.210 296 L C 1.085 177.687 176.870 -0.446 0.000 1.104 296 L CA 0.578 55.247 54.840 -0.286 0.000 0.804 296 L CB 0.122 41.993 42.059 -0.314 0.000 0.937 296 L HN 0.184 nan 8.230 nan 0.000 0.450 297 S N -1.164 114.110 115.700 -0.710 0.000 2.536 297 S HA 0.326 4.797 4.470 0.001 0.000 0.287 297 S C 0.558 174.786 174.600 -0.619 0.000 1.101 297 S CA -0.778 56.938 58.200 -0.808 0.000 0.950 297 S CB 1.162 63.445 63.200 -1.528 0.000 1.056 297 S HN 0.066 nan 8.310 nan 0.000 0.481 298 N N 2.085 120.536 118.700 -0.415 0.000 2.270 298 N HA -0.020 4.721 4.740 0.001 0.000 0.181 298 N C -0.072 175.219 175.510 -0.365 0.000 1.016 298 N CA 0.972 53.831 53.050 -0.318 0.000 0.870 298 N CB -0.035 38.336 38.487 -0.192 0.000 0.979 298 N HN 0.817 nan 8.380 nan 0.000 0.431 299 D N -1.583 118.597 120.400 -0.365 0.000 2.340 299 D HA 0.057 4.698 4.640 0.001 0.000 0.240 299 D C 0.474 176.588 176.300 -0.310 0.000 1.001 299 D CA -0.770 53.068 54.000 -0.270 0.000 0.888 299 D CB 0.323 41.066 40.800 -0.094 0.000 1.310 299 D HN -0.046 nan 8.370 nan 0.000 0.474 300 W N 0.930 122.190 121.300 -0.066 0.000 2.374 300 W HA 0.013 4.674 4.660 0.001 0.000 0.288 300 W C 2.428 179.102 176.519 0.258 0.000 1.218 300 W CA 1.210 58.601 57.345 0.076 0.000 1.245 300 W CB -0.093 29.410 29.460 0.072 0.000 1.126 300 W HN 0.658 nan 8.180 nan 0.000 0.545 301 A N -0.276 122.748 122.820 0.340 0.000 2.066 301 A HA 0.252 4.572 4.320 0.001 0.000 0.218 301 A C 1.908 179.689 177.584 0.327 0.000 1.157 301 A CA 1.367 53.571 52.037 0.278 0.000 0.670 301 A CB -1.022 18.072 19.000 0.157 0.000 0.804 301 A HN 0.634 nan 8.150 nan 0.000 0.453 302 G N -0.849 108.102 108.800 0.253 0.000 2.136 302 G HA2 -0.292 3.669 3.960 0.001 0.000 0.242 302 G HA3 -0.292 3.669 3.960 0.001 0.000 0.242 302 G C 0.425 175.380 174.900 0.093 0.000 0.989 302 G CA 0.585 45.822 45.100 0.228 0.000 0.682 302 G HN 0.620 nan 8.290 nan 0.000 0.522 303 N N -0.194 118.530 118.700 0.041 0.000 2.446 303 N HA 0.053 4.793 4.740 0.001 0.000 0.179 303 N C 0.818 176.318 175.510 -0.016 0.000 1.054 303 N CA 0.604 53.666 53.050 0.020 0.000 0.905 303 N CB 0.111 38.612 38.487 0.022 0.000 0.973 303 N HN 0.503 nan 8.380 nan 0.000 0.448 304 N N 0.914 119.577 118.700 -0.062 0.000 2.727 304 N HA 0.169 4.910 4.740 0.001 0.000 0.252 304 N C -1.131 174.298 175.510 -0.135 0.000 1.283 304 N CA -0.219 52.783 53.050 -0.079 0.000 0.782 304 N CB 0.565 39.007 38.487 -0.075 0.000 1.199 304 N HN -0.025 nan 8.380 nan 0.000 0.520 305 L N 1.614 122.768 121.223 -0.116 0.000 2.467 305 L HA 0.185 4.526 4.340 0.001 0.000 0.270 305 L C 1.554 178.362 176.870 -0.103 0.000 1.205 305 L CA -0.107 54.641 54.840 -0.154 0.000 0.828 305 L CB 0.630 42.635 42.059 -0.091 0.000 1.101 305 L HN 0.471 nan 8.230 nan 0.000 0.479 306 T N -1.263 113.226 114.554 -0.108 0.000 2.770 306 T HA 0.364 4.715 4.350 0.001 0.000 0.281 306 T C 1.133 175.856 174.700 0.038 0.000 0.981 306 T CA -0.189 61.894 62.100 -0.029 0.000 0.955 306 T CB 1.302 70.178 68.868 0.012 0.000 1.060 306 T HN 0.625 nan 8.240 nan 0.000 0.531 307 A N -0.171 122.694 122.820 0.075 0.000 1.933 307 A HA -0.033 4.288 4.320 0.001 0.000 0.218 307 A C 2.093 179.794 177.584 0.196 0.000 1.175 307 A CA 1.413 53.526 52.037 0.127 0.000 0.628 307 A CB -1.498 17.561 19.000 0.099 0.000 0.814 307 A HN 0.991 nan 8.150 nan 0.000 0.444 308 W N 0.648 121.913 121.300 -0.057 0.000 2.358 308 W HA -0.140 4.520 4.660 0.001 0.000 0.303 308 W C 1.953 178.475 176.519 0.004 0.000 1.208 308 W CA 1.114 58.428 57.345 -0.051 0.000 1.274 308 W CB -0.268 29.200 29.460 0.012 0.000 1.138 308 W HN 0.358 nan 8.180 nan 0.000 0.515 309 G N 0.973 109.721 108.800 -0.087 0.000 2.418 309 G HA2 -0.327 3.633 3.960 0.001 0.000 0.217 309 G HA3 -0.327 3.633 3.960 0.001 0.000 0.217 309 G C 1.347 176.177 174.900 -0.118 0.000 1.158 309 G CA 1.111 46.067 45.100 -0.241 0.000 0.771 309 G HN 0.232 nan 8.290 nan 0.000 0.545 310 N N 0.267 118.973 118.700 0.009 0.000 2.244 310 N HA -0.073 4.668 4.740 0.001 0.000 0.183 310 N C 2.315 177.862 175.510 0.061 0.000 1.016 310 N CA 1.322 54.424 53.050 0.086 0.000 0.866 310 N CB -0.346 38.257 38.487 0.194 0.000 0.980 310 N HN 0.196 nan 8.380 nan 0.000 0.430 311 T N 2.054 116.654 114.554 0.077 0.000 2.708 311 T HA -0.018 4.332 4.350 0.001 0.000 0.266 311 T C 1.954 176.564 174.700 -0.149 0.000 1.037 311 T CA 0.516 62.597 62.100 -0.031 0.000 1.146 311 T CB 0.078 69.070 68.868 0.208 0.000 0.865 311 T HN 0.090 nan 8.240 nan 0.000 0.435 312 I N 0.864 121.311 120.570 -0.205 0.000 2.202 312 I HA -0.068 4.103 4.170 0.001 0.000 0.242 312 I C 2.464 178.580 176.117 -0.002 0.000 1.091 312 I CA 1.139 62.327 61.300 -0.187 0.000 1.368 312 I CB -1.190 36.552 38.000 -0.430 0.000 1.058 312 I HN 0.132 nan 8.210 nan 0.000 0.410 313 V N 1.141 121.032 119.914 -0.039 0.000 2.379 313 V HA -0.089 4.031 4.120 0.001 0.000 0.243 313 V C 1.730 177.807 176.094 -0.028 0.000 1.035 313 V CA 1.429 63.728 62.300 -0.001 0.000 1.035 313 V CB -0.467 31.361 31.823 0.008 0.000 0.673 313 V HN 0.413 nan 8.190 nan 0.000 0.457 314 N N 0.029 118.700 118.700 -0.047 0.000 2.220 314 N HA 0.133 4.874 4.740 0.001 0.000 0.195 314 N C 0.894 176.285 175.510 -0.199 0.000 1.123 314 N CA 0.557 53.583 53.050 -0.041 0.000 0.874 314 N CB 0.656 39.196 38.487 0.087 0.000 0.995 314 N HN 0.463 nan 8.380 nan 0.000 0.498 315 G N 2.269 110.781 108.800 -0.479 0.000 2.616 315 G HA2 0.226 4.187 3.960 0.001 0.000 0.268 315 G HA3 0.226 4.187 3.960 0.001 0.000 0.268 315 G C -2.445 172.176 174.900 -0.465 0.000 1.213 315 G CA -0.740 43.777 45.100 -0.972 0.000 0.926 315 G HN -0.051 nan 8.290 nan 0.000 0.523 316 P HA 0.002 nan 4.420 nan 0.000 0.268 316 P C -0.875 176.294 177.300 -0.218 0.000 1.204 316 P CA 0.385 63.224 63.100 -0.436 0.000 0.768 316 P CB 0.209 31.638 31.700 -0.451 0.000 0.842 317 Y N -0.772 119.492 120.300 -0.060 0.000 4.604 317 Y HA -0.229 4.322 4.550 0.002 0.000 0.230 317 Y C 1.505 177.498 175.900 0.155 0.000 1.066 317 Y CA 1.212 59.343 58.100 0.053 0.000 1.990 317 Y CB -2.472 36.040 38.460 0.088 0.000 1.619 317 Y HN 0.569 nan 8.280 nan 0.000 0.649 318 G N -0.190 108.691 108.800 0.134 0.000 2.508 318 G HA2 0.393 4.353 3.960 0.001 0.000 0.278 318 G HA3 0.393 4.353 3.960 0.001 0.000 0.278 318 G C 1.101 176.105 174.900 0.175 0.000 1.389 318 G CA -0.183 45.045 45.100 0.212 0.000 1.050 318 G HN 0.218 nan 8.290 nan 0.000 0.522 319 L N -0.797 120.513 121.223 0.146 0.000 2.017 319 L HA -0.070 4.271 4.340 0.001 0.000 0.208 319 L C 3.037 179.878 176.870 -0.048 0.000 1.073 319 L CA 1.466 56.312 54.840 0.010 0.000 0.745 319 L CB -0.400 41.663 42.059 0.007 0.000 0.894 319 L HN 0.584 nan 8.230 nan 0.000 0.432 320 R N 0.331 120.794 120.500 -0.063 0.000 2.091 320 R HA -0.234 4.107 4.340 0.001 0.000 0.238 320 R C 2.272 178.499 176.300 -0.120 0.000 1.136 320 R CA 1.973 58.006 56.100 -0.112 0.000 0.959 320 R CB -0.093 30.116 30.300 -0.152 0.000 0.856 320 R HN 0.408 nan 8.270 nan 0.000 0.437 321 E N -1.003 119.103 120.200 -0.158 0.000 2.076 321 E HA -0.108 4.243 4.350 0.001 0.000 0.190 321 E C 1.194 177.717 176.600 -0.129 0.000 0.979 321 E CA 1.589 57.816 56.400 -0.288 0.000 0.807 321 E CB 0.232 29.656 29.700 -0.460 0.000 0.761 321 E HN 0.502 nan 8.360 nan 0.000 0.454 322 T N -2.369 112.152 114.554 -0.056 0.000 2.985 322 T HA 0.159 4.510 4.350 0.001 0.000 0.254 322 T C 0.826 175.472 174.700 -0.090 0.000 1.021 322 T CA -0.165 61.919 62.100 -0.028 0.000 0.957 322 T CB 0.513 69.400 68.868 0.032 0.000 1.047 322 T HN -0.033 nan 8.240 nan 0.000 0.511 323 S N 1.705 117.336 115.700 -0.116 0.000 2.488 323 S HA 0.362 4.833 4.470 0.001 0.000 0.278 323 S C -0.562 173.986 174.600 -0.086 0.000 1.259 323 S CA -0.453 57.655 58.200 -0.153 0.000 1.061 323 S CB -0.084 63.023 63.200 -0.155 0.000 0.910 323 S HN 0.451 nan 8.310 nan 0.000 0.491 324 K N 4.710 125.061 120.400 -0.081 0.000 2.376 324 K HA 0.413 4.733 4.320 0.001 0.000 0.257 324 K C -0.609 176.047 176.600 0.093 0.000 0.939 324 K CA -0.626 55.659 56.287 -0.004 0.000 0.809 324 K CB 1.510 34.006 32.500 -0.007 0.000 1.121 324 K HN 0.566 nan 8.250 nan 0.000 0.425 325 L N 1.459 122.762 121.223 0.134 0.000 2.483 325 L HA 0.052 4.393 4.340 0.001 0.000 0.275 325 L C 1.002 178.075 176.870 0.337 0.000 1.220 325 L CA -0.039 54.955 54.840 0.256 0.000 0.833 325 L CB 0.631 42.803 42.059 0.189 0.000 1.102 325 L HN 0.651 nan 8.230 nan 0.000 0.490 326 S N 0.228 116.169 115.700 0.401 0.000 2.552 326 S HA -0.030 4.441 4.470 0.001 0.000 0.289 326 S C 1.361 175.959 174.600 -0.003 0.000 1.304 326 S CA -0.113 58.128 58.200 0.068 0.000 1.063 326 S CB 0.743 63.694 63.200 -0.415 0.000 0.848 326 S HN 0.801 nan 8.310 nan 0.000 0.499 327 T N 2.425 116.950 114.554 -0.049 0.000 3.098 327 T HA -0.039 4.312 4.350 0.001 0.000 0.266 327 T C 1.567 176.175 174.700 -0.152 0.000 1.145 327 T CA 0.992 63.059 62.100 -0.055 0.000 1.092 327 T CB -0.370 68.479 68.868 -0.032 0.000 0.908 327 T HN 0.419 nan 8.240 nan 0.000 0.526 328 V N 0.150 119.856 119.914 -0.346 0.000 2.626 328 V HA 0.009 4.129 4.120 0.001 0.000 0.252 328 V C 2.060 177.926 176.094 -0.380 0.000 1.067 328 V CA 1.457 63.479 62.300 -0.463 0.000 1.081 328 V CB -0.796 30.565 31.823 -0.770 0.000 0.686 328 V HN 0.572 nan 8.190 nan 0.000 0.468 329 F N 0.225 120.125 119.950 -0.083 0.000 2.473 329 F HA 0.054 4.582 4.527 0.001 0.000 0.294 329 F C 1.658 177.433 175.800 -0.042 0.000 1.103 329 F CA 0.602 58.567 58.000 -0.057 0.000 1.442 329 F CB -0.166 38.806 39.000 -0.047 0.000 1.097 329 F HN 0.242 nan 8.300 nan 0.000 0.547 341 T N 0.795 115.332 114.554 -0.029 0.000 2.881 341 T HA 0.508 4.859 4.350 0.001 0.000 0.290 341 T C -0.402 174.267 174.700 -0.052 0.000 1.000 341 T CA -0.489 61.585 62.100 -0.043 0.000 0.978 341 T CB 1.596 70.433 68.868 -0.052 0.000 0.997 341 T HN 0.282 nan 8.240 nan 0.000 0.443 342 T N 4.255 118.771 114.554 -0.064 0.000 2.737 342 T HA 0.237 4.588 4.350 0.001 0.000 0.296 342 T C 1.522 176.131 174.700 -0.151 0.000 0.922 342 T CA -0.307 61.746 62.100 -0.079 0.000 1.079 342 T CB 0.227 69.051 68.868 -0.073 0.000 0.892 342 T HN 0.406 nan 8.240 nan 0.000 0.514 343 L N 2.559 123.673 121.223 -0.181 0.000 2.162 343 L HA 0.195 4.535 4.340 0.001 0.000 0.205 343 L C -0.207 176.181 176.870 -0.804 0.000 1.086 343 L CA 0.869 55.454 54.840 -0.425 0.000 0.778 343 L CB 0.105 41.973 42.059 -0.320 0.000 0.928 343 L HN 0.630 nan 8.230 nan 0.000 0.446 344 Y N -1.469 118.731 120.300 -0.166 0.000 2.354 344 Y HA 0.193 4.744 4.550 0.001 0.000 0.330 344 Y C 0.138 175.695 175.900 -0.571 0.000 1.011 344 Y CA -0.741 57.071 58.100 -0.479 0.000 1.099 344 Y CB 1.599 39.666 38.460 -0.656 0.000 1.179 344 Y HN -0.221 nan 8.280 nan 0.000 0.442 345 D N 1.646 121.802 120.400 -0.407 0.000 2.479 345 D HA 0.069 4.710 4.640 0.001 0.000 0.221 345 D C 0.247 176.528 176.300 -0.031 0.000 1.104 345 D CA 0.163 54.061 54.000 -0.171 0.000 0.849 345 D CB 0.277 41.026 40.800 -0.085 0.000 1.072 345 D HN 0.511 nan 8.370 nan 0.000 0.502 346 F N 0.429 120.411 119.950 0.053 0.000 3.084 346 F HA -0.217 4.311 4.527 0.001 0.000 0.286 346 F C 1.380 177.156 175.800 -0.040 0.000 0.855 346 F CA 0.432 58.447 58.000 0.026 0.000 1.091 346 F CB -1.709 37.299 39.000 0.014 0.000 1.177 346 F HN 0.082 nan 8.300 nan 0.000 0.542 347 E N 0.323 120.530 120.200 0.012 0.000 2.347 347 E HA -0.097 4.253 4.350 0.001 0.000 0.196 347 E C 1.789 178.150 176.600 -0.399 0.000 1.008 347 E CA 1.201 57.479 56.400 -0.204 0.000 0.852 347 E CB 0.069 29.734 29.700 -0.058 0.000 0.783 347 E HN 0.573 nan 8.360 nan 0.000 0.505 348 E N -0.336 119.769 120.200 -0.160 0.000 2.441 348 E HA 0.096 4.447 4.350 0.001 0.000 0.212 348 E C 0.912 177.503 176.600 -0.014 0.000 0.840 348 E CA 0.296 56.631 56.400 -0.107 0.000 1.143 348 E CB 0.901 30.576 29.700 -0.042 0.000 1.153 348 E HN 0.132 nan 8.360 nan 0.000 0.539 349 S N -0.790 114.951 115.700 0.068 0.000 2.757 349 S HA 0.200 4.671 4.470 0.001 0.000 0.285 349 S C 0.690 175.450 174.600 0.267 0.000 1.196 349 S CA 0.027 58.315 58.200 0.145 0.000 0.856 349 S CB 0.925 64.208 63.200 0.139 0.000 1.212 349 S HN -0.066 nan 8.310 nan 0.000 0.516 350 T N -1.647 113.072 114.554 0.275 0.000 3.148 350 T HA 0.185 4.536 4.350 0.001 0.000 0.253 350 T C 0.489 175.494 174.700 0.509 0.000 1.134 350 T CA 0.612 62.921 62.100 0.349 0.000 1.051 350 T CB -0.923 68.083 68.868 0.231 0.000 0.959 350 T HN 0.758 nan 8.240 nan 0.000 0.525 351 Q N 0.470 120.517 119.800 0.413 0.000 2.434 351 Q HA -0.232 4.109 4.340 0.001 0.000 0.299 351 Q C 1.168 177.455 176.000 0.478 0.000 1.286 351 Q CA 0.427 56.491 55.803 0.436 0.000 0.872 351 Q CB -2.107 26.937 28.738 0.510 0.000 1.193 351 Q HN 0.988 nan 8.270 nan 0.000 0.466 352 G N -2.177 106.831 108.800 0.346 0.000 2.184 352 G HA2 -0.307 3.654 3.960 0.001 0.000 0.264 352 G HA3 -0.307 3.654 3.960 0.001 0.000 0.264 352 G C -0.206 174.826 174.900 0.221 0.000 0.975 352 G CA 0.172 45.418 45.100 0.243 0.000 0.642 352 G HN 0.370 nan 8.290 nan 0.000 0.536 353 W N 1.344 122.708 121.300 0.106 0.000 2.170 353 W HA 0.560 5.220 4.660 0.001 0.000 0.336 353 W C 1.151 177.728 176.519 0.096 0.000 1.283 353 W CA 0.829 58.225 57.345 0.085 0.000 1.224 353 W CB 0.905 30.411 29.460 0.076 0.000 1.132 353 W HN 0.510 nan 8.180 nan 0.000 0.571 354 T N -0.457 114.282 114.554 0.309 0.000 2.654 354 T HA 0.951 5.302 4.350 0.001 0.000 0.289 354 T C -0.197 174.549 174.700 0.077 0.000 1.062 354 T CA -0.425 61.825 62.100 0.249 0.000 1.041 354 T CB 1.755 70.850 68.868 0.378 0.000 1.417 354 T HN 0.796 nan 8.240 nan 0.000 0.510 355 G N -0.336 108.470 108.800 0.011 0.000 2.488 355 G HA2 0.625 4.586 3.960 0.001 0.000 0.301 355 G HA3 0.625 4.586 3.960 0.001 0.000 0.301 355 G C -1.233 173.698 174.900 0.053 0.000 1.339 355 G CA -0.190 44.762 45.100 -0.246 0.000 0.803 355 G HN 1.648 nan 8.290 nan 0.000 0.482 356 S N -2.139 113.624 115.700 0.106 0.000 2.579 356 S HA 0.697 5.168 4.470 0.001 0.000 0.272 356 S C 0.261 175.007 174.600 0.243 0.000 1.141 356 S CA 0.522 58.858 58.200 0.227 0.000 0.843 356 S CB 1.529 64.880 63.200 0.252 0.000 1.122 356 S HN 2.082 nan 8.310 nan 0.000 0.468 357 S N -0.012 115.804 115.700 0.192 0.000 3.635 357 S HA -0.115 4.356 4.470 0.001 0.000 0.328 357 S C -0.196 174.542 174.600 0.229 0.000 1.135 357 S CA 0.801 59.118 58.200 0.196 0.000 0.942 357 S CB -2.045 61.259 63.200 0.174 0.000 0.930 357 S HN 0.686 nan 8.310 nan 0.000 0.512 358 L N 0.134 121.415 121.223 0.097 0.000 2.331 358 L HA 0.479 4.820 4.340 0.001 0.000 0.275 358 L C 1.337 178.189 176.870 -0.030 0.000 1.022 358 L CA -0.637 54.196 54.840 -0.012 0.000 0.812 358 L CB 1.604 43.608 42.059 -0.092 0.000 1.257 358 L HN 0.067 nan 8.230 nan 0.000 0.435 359 S N 0.697 116.358 115.700 -0.064 0.000 2.388 359 S HA 0.181 4.651 4.470 0.001 0.000 0.223 359 S C 0.413 174.994 174.600 -0.031 0.000 1.034 359 S CA 0.566 58.747 58.200 -0.031 0.000 0.963 359 S CB 0.166 63.352 63.200 -0.023 0.000 0.827 359 S HN 0.565 nan 8.310 nan 0.000 0.481 360 R N -0.991 119.454 120.500 -0.091 0.000 2.710 360 R HA 0.559 4.900 4.340 0.001 0.000 0.270 360 R C -0.234 175.714 176.300 -0.586 0.000 1.021 360 R CA -0.198 55.839 56.100 -0.105 0.000 0.889 360 R CB 1.612 32.045 30.300 0.222 0.000 1.243 360 R HN 0.353 nan 8.270 nan 0.000 0.464 361 G N 1.418 109.679 108.800 -0.898 0.000 2.526 361 G HA2 -0.128 3.832 3.960 0.001 0.000 0.250 361 G HA3 -0.128 3.832 3.960 0.001 0.000 0.250 361 G C -2.808 171.653 174.900 -0.732 0.000 1.289 361 G CA -0.960 43.151 45.100 -1.649 0.000 0.947 361 G HN 0.505 nan 8.290 nan 0.000 0.517 362 P HA 0.563 nan 4.420 nan 0.000 0.279 362 P C -0.703 176.250 177.300 -0.579 0.000 1.252 362 P CA -0.213 62.494 63.100 -0.654 0.000 0.811 362 P CB 0.741 32.268 31.700 -0.289 0.000 1.035 363 W N -1.337 119.926 121.300 -0.062 0.000 3.031 363 W HA 0.287 4.948 4.660 0.001 0.000 0.337 363 W C -0.379 176.116 176.519 -0.040 0.000 1.187 363 W CA -0.511 56.820 57.345 -0.023 0.000 1.166 363 W CB 1.568 31.023 29.460 -0.010 0.000 1.437 363 W HN 0.192 nan 8.180 nan 0.000 0.551 364 T N 1.949 116.664 114.554 0.268 0.000 2.767 364 T HA 0.541 4.892 4.350 0.001 0.000 0.288 364 T C -0.563 174.301 174.700 0.272 0.000 0.963 364 T CA -0.189 62.037 62.100 0.210 0.000 1.019 364 T CB 0.286 69.281 68.868 0.211 0.000 0.923 364 T HN 0.417 nan 8.240 nan 0.000 0.468 365 V N 2.755 122.829 119.914 0.267 0.000 3.141 365 V HA 0.789 4.910 4.120 0.001 0.000 0.312 365 V C 0.763 176.926 176.094 0.115 0.000 1.157 365 V CA -0.182 62.244 62.300 0.210 0.000 1.041 365 V CB 1.483 33.423 31.823 0.195 0.000 1.071 365 V HN 0.856 nan 8.190 nan 0.000 0.441 366 T N -3.557 110.981 114.554 -0.025 0.000 3.054 366 T HA 0.174 4.524 4.350 0.001 0.000 0.255 366 T C 1.219 175.888 174.700 -0.052 0.000 1.035 366 T CA 0.868 62.850 62.100 -0.196 0.000 0.941 366 T CB -0.002 68.687 68.868 -0.297 0.000 1.026 366 T HN 0.895 nan 8.240 nan 0.000 0.533 367 E N -0.050 120.187 120.200 0.063 0.000 2.130 367 E HA -0.100 4.250 4.350 0.001 0.000 0.196 367 E C 0.120 176.812 176.600 0.153 0.000 0.998 367 E CA 0.909 57.376 56.400 0.112 0.000 0.806 367 E CB 0.153 29.969 29.700 0.193 0.000 0.738 367 E HN 0.704 nan 8.360 nan 0.000 0.459 368 W N -0.542 120.729 121.300 -0.047 0.000 3.213 368 W HA 0.382 5.042 4.660 0.001 0.000 0.318 368 W C -1.630 174.855 176.519 -0.057 0.000 1.248 368 W CA 0.070 57.337 57.345 -0.130 0.000 1.187 368 W CB 1.378 30.612 29.460 -0.377 0.000 1.403 368 W HN -0.062 nan 8.180 nan 0.000 0.556 369 S N 1.204 116.049 115.700 -1.424 0.000 2.565 369 S HA 0.419 4.890 4.470 0.001 0.000 0.274 369 S C -0.405 173.349 174.600 -1.409 0.000 1.144 369 S CA -0.122 57.310 58.200 -1.280 0.000 0.849 369 S CB 1.090 63.991 63.200 -0.499 0.000 1.103 369 S HN 1.031 nan 8.310 nan 0.000 0.455 370 S N 0.213 115.340 115.700 -0.954 0.000 2.524 370 S HA 0.369 4.840 4.470 0.001 0.000 0.222 370 S C 0.257 174.719 174.600 -0.231 0.000 1.040 370 S CA -0.098 57.827 58.200 -0.459 0.000 0.915 370 S CB -0.150 62.939 63.200 -0.185 0.000 0.831 370 S HN 0.906 nan 8.310 nan 0.000 0.492 371 K N 0.455 120.731 120.400 -0.208 0.000 2.513 371 K HA 0.518 4.839 4.320 0.001 0.000 0.251 371 K C 0.343 176.892 176.600 -0.086 0.000 0.939 371 K CA 0.115 56.339 56.287 -0.105 0.000 0.793 371 K CB 1.257 33.725 32.500 -0.052 0.000 1.241 371 K HN 0.365 nan 8.250 nan 0.000 0.431 372 G N 2.798 111.563 108.800 -0.059 0.000 2.569 372 G HA2 -0.286 3.675 3.960 0.001 0.000 0.259 372 G HA3 -0.286 3.675 3.960 0.001 0.000 0.259 372 G C -0.108 174.763 174.900 -0.048 0.000 1.263 372 G CA 0.117 45.206 45.100 -0.018 0.000 0.928 372 G HN 0.715 nan 8.290 nan 0.000 0.572 373 N N 0.652 119.361 118.700 0.016 0.000 2.171 373 N HA 0.198 4.938 4.740 0.001 0.000 0.212 373 N C 0.051 175.401 175.510 -0.266 0.000 1.184 373 N CA 0.461 53.436 53.050 -0.124 0.000 0.888 373 N CB 0.596 38.995 38.487 -0.147 0.000 1.038 373 N HN 0.614 nan 8.380 nan 0.000 0.517 374 H N -0.524 118.532 119.070 -0.024 0.000 2.797 374 H HA 0.616 5.173 4.556 0.001 0.000 0.372 374 H C -0.162 175.201 175.328 0.059 0.000 1.168 374 H CA -0.817 55.254 56.048 0.039 0.000 1.163 374 H CB 1.788 31.610 29.762 0.101 0.000 1.778 374 H HN -0.031 nan 8.280 nan 0.000 0.551 375 S N 0.801 116.644 115.700 0.239 0.000 2.607 375 S HA 0.493 4.964 4.470 0.001 0.000 0.273 375 S C -1.627 172.978 174.600 0.008 0.000 1.148 375 S CA -0.982 57.336 58.200 0.196 0.000 0.833 375 S CB 1.501 64.898 63.200 0.329 0.000 1.130 375 S HN 0.464 nan 8.310 nan 0.000 0.470 376 L N 1.780 122.744 121.223 -0.431 0.000 2.276 376 L HA 0.676 5.017 4.340 0.001 0.000 0.286 376 L C -0.184 176.536 176.870 -0.250 0.000 1.061 376 L CA 0.200 54.648 54.840 -0.653 0.000 0.807 376 L CB 0.760 41.937 42.059 -1.470 0.000 1.177 376 L HN 0.901 nan 8.230 nan 0.000 0.429 377 K N 4.229 124.530 120.400 -0.165 0.000 2.375 377 K HA 0.923 5.244 4.320 0.001 0.000 0.249 377 K C -1.773 174.638 176.600 -0.314 0.000 0.942 377 K CA -0.628 55.495 56.287 -0.273 0.000 0.806 377 K CB 1.888 34.306 32.500 -0.136 0.000 1.227 377 K HN 0.747 nan 8.250 nan 0.000 0.430 378 A N 2.618 125.166 122.820 -0.454 0.000 2.572 378 A HA 0.483 4.804 4.320 0.001 0.000 0.295 378 A C -1.834 175.522 177.584 -0.380 0.000 1.072 378 A CA -0.862 50.855 52.037 -0.533 0.000 0.691 378 A CB 1.486 20.204 19.000 -0.471 0.000 1.291 378 A HN 0.727 nan 8.150 nan 0.000 0.404 379 D N 0.902 121.124 120.400 -0.296 0.000 2.163 379 D HA 0.694 5.335 4.640 0.001 0.000 0.248 379 D C -0.141 176.033 176.300 -0.209 0.000 1.035 379 D CA 0.274 54.181 54.000 -0.154 0.000 0.872 379 D CB 1.699 42.514 40.800 0.026 0.000 1.183 379 D HN 0.704 nan 8.370 nan 0.000 0.445 380 I N -1.788 118.641 120.570 -0.234 0.000 2.994 380 I HA 0.547 4.717 4.170 0.001 0.000 0.306 380 I C -1.248 174.738 176.117 -0.218 0.000 1.195 380 I CA -1.171 59.950 61.300 -0.298 0.000 1.001 380 I CB 2.378 39.977 38.000 -0.669 0.000 1.244 380 I HN -0.063 nan 8.210 nan 0.000 0.437 381 Q N 4.250 123.965 119.800 -0.141 0.000 2.372 381 Q HA 0.552 4.893 4.340 0.001 0.000 0.259 381 Q C -1.323 174.670 176.000 -0.012 0.000 0.993 381 Q CA -0.353 55.418 55.803 -0.052 0.000 0.854 381 Q CB 1.403 30.146 28.738 0.008 0.000 1.231 381 Q HN 0.753 nan 8.270 nan 0.000 0.462 382 M N 2.180 121.755 119.600 -0.042 0.000 2.250 382 M HA 0.434 4.914 4.480 0.001 0.000 0.344 382 M C -0.153 176.173 176.300 0.044 0.000 1.150 382 M CA -0.121 55.193 55.300 0.024 0.000 1.147 382 M CB 1.292 33.868 32.600 -0.039 0.000 1.498 382 M HN 0.860 nan 8.290 nan 0.000 0.461 383 S N 0.428 116.168 115.700 0.066 0.000 2.607 383 S HA 0.363 4.834 4.470 0.001 0.000 0.273 383 S C -0.544 174.064 174.600 0.013 0.000 1.148 383 S CA -1.089 57.129 58.200 0.031 0.000 0.833 383 S CB 1.601 64.821 63.200 0.033 0.000 1.130 383 S HN 0.660 nan 8.310 nan 0.000 0.470 384 S N 2.023 117.721 115.700 -0.002 0.000 2.998 384 S HA 0.055 4.525 4.470 0.001 0.000 0.348 384 S C 0.585 175.168 174.600 -0.029 0.000 1.210 384 S CA 0.551 58.741 58.200 -0.016 0.000 1.118 384 S CB -1.475 61.715 63.200 -0.016 0.000 0.832 384 S HN 0.818 nan 8.310 nan 0.000 0.516 385 N N 1.442 120.115 118.700 -0.044 0.000 2.708 385 N HA -0.178 4.563 4.740 0.001 0.000 0.251 385 N C -0.022 175.440 175.510 -0.080 0.000 1.123 385 N CA 1.222 54.228 53.050 -0.074 0.000 0.739 385 N CB -2.230 36.211 38.487 -0.077 0.000 1.113 385 N HN 0.847 nan 8.380 nan 0.000 0.561 386 S N -0.296 115.373 115.700 -0.051 0.000 2.562 386 S HA 0.266 4.737 4.470 0.001 0.000 0.281 386 S C 0.268 174.724 174.600 -0.239 0.000 1.333 386 S CA -0.285 57.845 58.200 -0.117 0.000 1.052 386 S CB 1.685 64.873 63.200 -0.020 0.000 0.884 386 S HN 0.210 nan 8.310 nan 0.000 0.506 387 Q N 1.710 121.270 119.800 -0.400 0.000 2.309 387 Q HA 0.480 4.821 4.340 0.001 0.000 0.264 387 Q C -0.708 174.875 176.000 -0.694 0.000 1.008 387 Q CA -0.720 54.849 55.803 -0.390 0.000 0.853 387 Q CB 1.520 30.126 28.738 -0.219 0.000 1.314 387 Q HN 0.773 nan 8.270 nan 0.000 0.448 388 H N 0.983 119.993 119.070 -0.100 0.000 2.895 388 H HA 0.418 4.975 4.556 0.001 0.000 0.373 388 H C -1.293 174.008 175.328 -0.045 0.000 1.174 388 H CA -0.511 55.535 56.048 -0.003 0.000 1.144 388 H CB 1.462 31.213 29.762 -0.018 0.000 1.793 388 H HN 0.592 nan 8.280 nan 0.000 0.551 389 Y N 0.605 121.068 120.300 0.271 0.000 2.499 389 Y HA 0.479 5.029 4.550 0.001 0.000 0.347 389 Y C -0.286 175.659 175.900 0.074 0.000 0.987 389 Y CA -0.825 57.430 58.100 0.258 0.000 1.044 389 Y CB 2.352 40.920 38.460 0.180 0.000 1.245 389 Y HN 0.239 nan 8.280 nan 0.000 0.461 390 L N 4.561 125.999 121.223 0.359 0.000 2.409 390 L HA 0.558 4.899 4.340 0.001 0.000 0.272 390 L C -0.935 176.161 176.870 0.375 0.000 0.980 390 L CA -0.553 54.458 54.840 0.285 0.000 0.826 390 L CB 1.655 43.968 42.059 0.425 0.000 1.268 390 L HN 0.830 nan 8.230 nan 0.000 0.407 391 H N 1.342 120.577 119.070 0.275 0.000 3.042 391 H HA 0.546 5.102 4.556 0.001 0.000 0.346 391 H C -1.825 173.051 175.328 -0.752 0.000 1.294 391 H CA -0.966 54.909 56.048 -0.288 0.000 1.141 391 H CB 2.688 32.413 29.762 -0.063 0.000 1.872 391 H HN 0.296 nan 8.280 nan 0.000 0.541 392 V N 3.593 122.843 119.914 -1.108 0.000 2.350 392 V HA 0.342 4.463 4.120 0.001 0.000 0.285 392 V C -0.487 175.324 176.094 -0.472 0.000 1.014 392 V CA -0.635 61.062 62.300 -1.005 0.000 0.831 392 V CB 0.462 31.292 31.823 -1.654 0.000 1.000 392 V HN 0.620 nan 8.190 nan 0.000 0.433 393 I N 7.188 127.599 120.570 -0.265 0.000 2.308 393 I HA 0.503 4.673 4.170 0.001 0.000 0.293 393 I C -0.004 176.065 176.117 -0.080 0.000 1.078 393 I CA 0.374 61.578 61.300 -0.159 0.000 1.292 393 I CB 0.656 38.589 38.000 -0.112 0.000 1.423 393 I HN 0.692 nan 8.210 nan 0.000 0.493 394 Q N 5.587 125.347 119.800 -0.065 0.000 2.443 394 Q HA 0.281 4.622 4.340 0.001 0.000 0.258 394 Q C -1.585 174.399 176.000 -0.027 0.000 0.967 394 Q CA -0.820 54.969 55.803 -0.024 0.000 0.951 394 Q CB 1.769 30.506 28.738 -0.002 0.000 1.459 394 Q HN 0.535 nan 8.270 nan 0.000 0.415 395 N N 3.996 122.681 118.700 -0.024 0.000 2.520 395 N HA 0.385 5.126 4.740 0.001 0.000 0.273 395 N C -0.592 174.896 175.510 -0.037 0.000 1.155 395 N CA 0.233 53.255 53.050 -0.047 0.000 0.967 395 N CB 0.792 39.246 38.487 -0.055 0.000 1.092 395 N HN 0.657 nan 8.380 nan 0.000 0.457 396 R N -1.259 119.212 120.500 -0.048 0.000 2.741 396 R HA 0.417 4.758 4.340 0.001 0.000 0.276 396 R C -1.598 174.672 176.300 -0.050 0.000 1.028 396 R CA -0.892 55.185 56.100 -0.039 0.000 0.865 396 R CB 0.674 30.960 30.300 -0.022 0.000 1.268 396 R HN 0.354 nan 8.270 nan 0.000 0.475 397 S N 0.715 116.387 115.700 -0.045 0.000 2.449 397 S HA 0.485 4.956 4.470 0.001 0.000 0.310 397 S C -0.012 174.560 174.600 -0.048 0.000 1.096 397 S CA -0.868 57.303 58.200 -0.050 0.000 1.095 397 S CB 0.769 63.942 63.200 -0.044 0.000 1.007 397 S HN 0.548 nan 8.310 nan 0.000 0.474 398 L N 4.131 125.321 121.223 -0.055 0.000 3.110 398 L HA 0.354 4.695 4.340 0.001 0.000 0.266 398 L C 0.918 177.754 176.870 -0.056 0.000 1.257 398 L CA -0.171 54.637 54.840 -0.054 0.000 1.038 398 L CB 0.177 42.201 42.059 -0.059 0.000 1.395 398 L HN 0.688 nan 8.230 nan 0.000 0.566 399 Q N 0.885 120.653 119.800 -0.053 0.000 2.361 399 Q HA 0.183 4.523 4.340 0.001 0.000 0.276 399 Q C 1.083 177.058 176.000 -0.042 0.000 1.022 399 Q CA 1.834 57.607 55.803 -0.049 0.000 0.898 399 Q CB 0.801 29.514 28.738 -0.042 0.000 1.246 399 Q HN 0.374 nan 8.270 nan 0.000 0.410 400 Q N 0.896 120.672 119.800 -0.039 0.000 4.249 400 Q HA -0.217 4.123 4.340 0.001 0.000 0.219 400 Q C -0.373 175.607 176.000 -0.034 0.000 1.531 400 Q CA 1.448 57.231 55.803 -0.033 0.000 0.888 400 Q CB -2.287 26.434 28.738 -0.029 0.000 0.746 400 Q HN 0.848 nan 8.270 nan 0.000 0.993 401 N N 0.798 119.475 118.700 -0.039 0.000 2.479 401 N HA 0.400 5.141 4.740 0.001 0.000 0.257 401 N C 1.077 176.563 175.510 -0.040 0.000 1.232 401 N CA 0.869 53.897 53.050 -0.037 0.000 0.920 401 N CB 1.403 39.867 38.487 -0.040 0.000 1.105 401 N HN 1.125 nan 8.380 nan 0.000 0.444 402 S N 0.413 116.094 115.700 -0.032 0.000 2.666 402 S HA 0.198 4.669 4.470 0.001 0.000 0.239 402 S C 0.482 175.066 174.600 -0.027 0.000 1.031 402 S CA -0.433 57.748 58.200 -0.031 0.000 1.015 402 S CB 1.084 64.270 63.200 -0.022 0.000 0.981 402 S HN 0.662 nan 8.310 nan 0.000 0.547 403 R N 0.009 120.495 120.500 -0.023 0.000 2.629 403 R HA 0.668 5.009 4.340 0.001 0.000 0.266 403 R C -2.428 173.866 176.300 -0.011 0.000 1.051 403 R CA -0.703 55.388 56.100 -0.015 0.000 0.895 403 R CB 1.586 31.883 30.300 -0.006 0.000 1.246 403 R HN 0.359 nan 8.270 nan 0.000 0.459 404 I N 3.118 123.685 120.570 -0.005 0.000 2.619 404 I HA 0.370 4.541 4.170 0.001 0.000 0.292 404 I C -1.552 174.577 176.117 0.021 0.000 1.100 404 I CA -0.433 60.872 61.300 0.009 0.000 1.043 404 I CB 2.126 40.127 38.000 0.003 0.000 1.239 404 I HN 0.829 nan 8.210 nan 0.000 0.420 405 Q N 6.464 126.288 119.800 0.041 0.000 2.565 405 Q HA 0.929 5.270 4.340 0.001 0.000 0.294 405 Q C -2.091 173.958 176.000 0.081 0.000 1.005 405 Q CA -1.020 54.813 55.803 0.051 0.000 0.771 405 Q CB 2.624 31.388 28.738 0.043 0.000 1.486 405 Q HN 0.773 nan 8.270 nan 0.000 0.422 406 A N 0.542 123.417 122.820 0.091 0.000 2.604 406 A HA 0.718 5.039 4.320 0.001 0.000 0.295 406 A C -1.229 176.437 177.584 0.137 0.000 1.067 406 A CA -0.631 51.483 52.037 0.129 0.000 0.683 406 A CB 2.198 21.290 19.000 0.153 0.000 1.281 406 A HN 0.598 nan 8.150 nan 0.000 0.407 407 T N 1.421 116.088 114.554 0.188 0.000 2.771 407 T HA 0.631 4.982 4.350 0.001 0.000 0.281 407 T C 0.007 174.901 174.700 0.323 0.000 0.982 407 T CA -0.066 62.176 62.100 0.236 0.000 0.978 407 T CB 0.870 69.896 68.868 0.264 0.000 0.930 407 T HN 1.728 nan 8.240 nan 0.000 0.447 408 V N 1.005 121.060 119.914 0.235 0.000 3.158 408 V HA 0.998 5.119 4.120 0.001 0.000 0.311 408 V C -1.087 175.025 176.094 0.031 0.000 1.181 408 V CA -1.301 61.126 62.300 0.211 0.000 1.054 408 V CB 2.233 34.201 31.823 0.241 0.000 1.085 408 V HN 1.035 nan 8.190 nan 0.000 0.446 409 K N 0.167 120.554 120.400 -0.021 0.000 2.735 409 K HA 0.572 4.893 4.320 0.001 0.000 0.295 409 K C -1.576 175.031 176.600 0.012 0.000 1.052 409 K CA -0.784 55.388 56.287 -0.193 0.000 0.853 409 K CB 1.369 33.456 32.500 -0.689 0.000 1.535 409 K HN 1.227 nan 8.250 nan 0.000 0.383 410 H N -0.893 118.156 119.070 -0.036 0.000 2.907 410 H HA 0.740 5.297 4.556 0.001 0.000 0.361 410 H C -0.654 174.679 175.328 0.008 0.000 1.194 410 H CA -0.805 55.269 56.048 0.042 0.000 1.152 410 H CB 1.686 31.456 29.762 0.014 0.000 1.867 410 H HN 0.839 nan 8.280 nan 0.000 0.561 420 M N 0.155 119.709 119.600 -0.077 0.000 2.622 420 M HA 0.643 5.124 4.480 0.001 0.000 0.276 420 M C -0.292 176.048 176.300 0.067 0.000 1.265 420 M CA -0.837 54.446 55.300 -0.029 0.000 0.850 420 M CB 2.946 35.517 32.600 -0.047 0.000 1.720 420 M HN 0.876 nan 8.290 nan 0.000 0.465 421 T N -0.986 113.602 114.554 0.058 0.000 2.901 421 T HA 0.990 5.341 4.350 0.001 0.000 0.293 421 T C -1.044 173.775 174.700 0.197 0.000 1.084 421 T CA -0.771 61.391 62.100 0.103 0.000 1.008 421 T CB 2.356 71.231 68.868 0.012 0.000 1.170 421 T HN 0.967 nan 8.240 nan 0.000 0.509 422 A N 1.282 124.278 122.820 0.294 0.000 2.610 422 A HA 0.940 5.261 4.320 0.001 0.000 0.291 422 A C -1.132 176.532 177.584 0.134 0.000 1.086 422 A CA -1.344 50.811 52.037 0.196 0.000 0.677 422 A CB 1.570 20.406 19.000 -0.274 0.000 1.278 422 A HN 1.315 nan 8.150 nan 0.000 0.414 423 R N 0.270 120.733 120.500 -0.062 0.000 2.643 423 R HA 0.731 5.072 4.340 0.001 0.000 0.269 423 R C -1.865 174.393 176.300 -0.069 0.000 1.037 423 R CA -0.777 55.233 56.100 -0.150 0.000 0.894 423 R CB 1.263 31.300 30.300 -0.440 0.000 1.238 423 R HN 0.753 nan 8.270 nan 0.000 0.459 424 L N 3.086 124.277 121.223 -0.054 0.000 2.350 424 L HA 0.514 4.854 4.340 0.001 0.000 0.275 424 L C -1.149 175.678 176.870 -0.071 0.000 1.099 424 L CA -0.199 54.605 54.840 -0.060 0.000 0.808 424 L CB 0.785 42.819 42.059 -0.042 0.000 1.149 424 L HN 0.710 nan 8.230 nan 0.000 0.442 425 Y N 3.575 123.745 120.300 -0.216 0.000 2.615 425 Y HA 0.813 5.364 4.550 0.001 0.000 0.341 425 Y C -1.172 174.518 175.900 -0.351 0.000 1.089 425 Y CA -1.240 56.582 58.100 -0.464 0.000 1.049 425 Y CB 1.016 38.829 38.460 -1.079 0.000 1.296 425 Y HN 0.541 nan 8.280 nan 0.000 0.470 426 V N -0.787 119.020 119.914 -0.178 0.000 3.114 426 V HA 0.757 4.878 4.120 0.001 0.000 0.308 426 V C -1.436 174.693 176.094 0.058 0.000 1.168 426 V CA -1.548 60.697 62.300 -0.092 0.000 1.015 426 V CB 2.220 33.987 31.823 -0.093 0.000 1.050 426 V HN 0.889 nan 8.190 nan 0.000 0.433 427 K N 1.678 122.143 120.400 0.109 0.000 2.378 427 K HA 0.792 5.113 4.320 0.001 0.000 0.252 427 K C -0.728 175.935 176.600 0.106 0.000 0.931 427 K CA -0.379 56.027 56.287 0.197 0.000 0.794 427 K CB 2.355 35.029 32.500 0.290 0.000 1.181 427 K HN 1.131 nan 8.250 nan 0.000 0.425 428 T N -1.522 113.112 114.554 0.133 0.000 2.906 428 T HA 0.808 5.159 4.350 0.001 0.000 0.295 428 T C 0.310 175.001 174.700 -0.015 0.000 1.075 428 T CA -0.191 61.918 62.100 0.015 0.000 1.005 428 T CB 1.795 70.665 68.868 0.002 0.000 1.136 428 T HN 0.865 nan 8.240 nan 0.000 0.498 429 G N 1.230 109.964 108.800 -0.109 0.000 2.828 429 G HA2 -0.159 3.802 3.960 0.001 0.000 0.463 429 G HA3 -0.159 3.802 3.960 0.001 0.000 0.463 429 G C -0.002 174.752 174.900 -0.242 0.000 1.394 429 G CA 0.365 45.405 45.100 -0.100 0.000 0.862 429 G HN 1.126 nan 8.290 nan 0.000 0.540 430 H N 0.224 119.214 119.070 -0.134 0.000 2.524 430 H HA 0.203 4.759 4.556 0.001 0.000 0.282 430 H C 2.571 177.860 175.328 -0.065 0.000 1.016 430 H CA 1.862 57.825 56.048 -0.143 0.000 1.270 430 H CB 0.093 29.821 29.762 -0.057 0.000 1.394 430 H HN 0.783 nan 8.280 nan 0.000 0.568 431 G N -1.361 107.503 108.800 0.107 0.000 3.042 431 G HA2 -0.078 3.883 3.960 0.001 0.000 0.212 431 G HA3 -0.078 3.883 3.960 0.001 0.000 0.212 431 G C -0.537 174.516 174.900 0.256 0.000 1.166 431 G CA -0.365 44.835 45.100 0.168 0.000 0.767 431 G HN 0.462 nan 8.290 nan 0.000 0.546 432 Y N 0.612 120.965 120.300 0.088 0.000 3.108 432 Y HA -0.234 4.317 4.550 0.002 0.000 0.208 432 Y C 1.012 176.992 175.900 0.133 0.000 1.245 432 Y CA 0.518 58.674 58.100 0.094 0.000 1.171 432 Y CB -2.562 35.943 38.460 0.076 0.000 1.331 432 Y HN 0.079 nan 8.280 nan 0.000 0.534 433 T N 1.135 115.830 114.554 0.235 0.000 2.867 433 T HA -0.080 4.271 4.350 0.001 0.000 0.297 433 T C 0.114 174.957 174.700 0.238 0.000 0.989 433 T CA -0.336 61.881 62.100 0.195 0.000 1.159 433 T CB 0.452 69.418 68.868 0.164 0.000 0.928 433 T HN 0.434 nan 8.240 nan 0.000 0.538 434 W N 5.151 126.411 121.300 -0.066 0.000 2.287 434 W HA 0.383 5.044 4.660 0.002 0.000 0.313 434 W C -1.822 174.551 176.519 -0.244 0.000 1.267 434 W CA -1.146 56.172 57.345 -0.045 0.000 1.201 434 W CB 0.243 29.657 29.460 -0.077 0.000 1.196 434 W HN 0.608 nan 8.180 nan 0.000 0.536 435 Y N 3.724 123.882 120.300 -0.238 0.000 2.386 435 Y HA 0.323 4.874 4.550 0.002 0.000 0.334 435 Y C 0.100 175.789 175.900 -0.351 0.000 1.002 435 Y CA -0.533 57.488 58.100 -0.132 0.000 1.068 435 Y CB 1.954 40.374 38.460 -0.066 0.000 1.203 435 Y HN 0.327 nan 8.280 nan 0.000 0.443 436 S N 0.682 116.383 115.700 0.001 0.000 2.570 436 S HA 0.871 5.341 4.470 0.001 0.000 0.270 436 S C -0.291 174.339 174.600 0.049 0.000 1.149 436 S CA -0.584 57.604 58.200 -0.020 0.000 0.837 436 S CB 1.546 64.784 63.200 0.063 0.000 1.124 436 S HN 0.916 nan 8.310 nan 0.000 0.465 437 G N 0.742 109.542 108.800 0.000 0.000 2.508 437 G HA2 0.528 4.488 3.960 0.001 0.000 0.278 437 G HA3 0.528 4.488 3.960 0.001 0.000 0.278 437 G C -0.337 174.546 174.900 -0.029 0.000 1.389 437 G CA -0.676 44.425 45.100 0.002 0.000 1.050 437 G HN 0.859 nan 8.290 nan 0.000 0.522 438 S N -1.020 114.676 115.700 -0.007 0.000 2.610 438 S HA 0.429 4.900 4.470 0.001 0.000 0.273 438 S C -0.597 174.008 174.600 0.007 0.000 1.274 438 S CA -0.373 57.831 58.200 0.006 0.000 1.023 438 S CB 0.943 64.180 63.200 0.062 0.000 0.962 438 S HN 0.269 nan 8.310 nan 0.000 0.523 439 F N 2.488 122.479 119.950 0.067 0.000 2.543 439 F HA 0.271 4.800 4.527 0.002 0.000 0.375 439 F C 0.648 176.472 175.800 0.040 0.000 1.075 439 F CA -0.207 57.823 58.000 0.050 0.000 1.225 439 F CB 0.199 39.225 39.000 0.044 0.000 1.099 439 F HN 0.265 nan 8.300 nan 0.000 0.561 440 V N 2.861 122.922 119.914 0.245 0.000 2.769 440 V HA 0.696 4.817 4.120 0.001 0.000 0.312 440 V C -2.850 173.328 176.094 0.140 0.000 1.061 440 V CA -3.162 59.229 62.300 0.152 0.000 0.931 440 V CB 1.892 33.775 31.823 0.100 0.000 1.010 440 V HN 0.420 nan 8.190 nan 0.000 0.433 441 P HA 0.430 nan 4.420 nan 0.000 0.271 441 P C -0.414 176.949 177.300 0.105 0.000 1.216 441 P CA 0.107 63.265 63.100 0.097 0.000 0.771 441 P CB 0.410 32.155 31.700 0.074 0.000 0.864 442 I N 0.184 120.838 120.570 0.140 0.000 2.957 442 I HA 0.658 4.829 4.170 0.001 0.000 0.310 442 I C -0.396 175.817 176.117 0.161 0.000 1.063 442 I CA -1.046 60.338 61.300 0.140 0.000 1.033 442 I CB 2.503 40.619 38.000 0.194 0.000 1.230 442 I HN 0.251 nan 8.210 nan 0.000 0.447 443 N N 1.656 120.346 118.700 -0.017 0.000 2.966 443 N HA 0.408 5.149 4.740 0.001 0.000 0.314 443 N C 0.116 175.185 175.510 -0.735 0.000 1.397 443 N CA -0.487 52.450 53.050 -0.189 0.000 0.776 443 N CB 1.713 40.145 38.487 -0.091 0.000 1.576 443 N HN 0.844 nan 8.380 nan 0.000 0.592 444 G N -1.205 107.185 108.800 -0.683 0.000 3.159 444 G HA2 0.007 3.968 3.960 0.001 0.000 0.232 444 G HA3 0.007 3.968 3.960 0.001 0.000 0.232 444 G C 1.085 175.780 174.900 -0.341 0.000 1.116 444 G CA 0.551 45.270 45.100 -0.634 0.000 0.767 444 G HN 0.666 nan 8.290 nan 0.000 0.547 445 S N 0.089 115.649 115.700 -0.235 0.000 2.404 445 S HA 0.229 4.700 4.470 0.001 0.000 0.223 445 S C 1.214 175.735 174.600 -0.131 0.000 1.040 445 S CA 0.979 59.093 58.200 -0.142 0.000 0.957 445 S CB 0.014 63.168 63.200 -0.076 0.000 0.826 445 S HN 0.683 nan 8.310 nan 0.000 0.491 446 S N -0.678 114.941 115.700 -0.135 0.000 2.671 446 S HA 0.752 5.223 4.470 0.001 0.000 0.277 446 S C -0.037 174.517 174.600 -0.077 0.000 1.165 446 S CA -0.525 57.647 58.200 -0.047 0.000 0.822 446 S CB 0.802 64.019 63.200 0.028 0.000 1.150 446 S HN 0.643 nan 8.310 nan 0.000 0.479 447 G N 0.230 109.091 108.800 0.103 0.000 2.467 447 G HA2 0.507 4.468 3.960 0.001 0.000 0.257 447 G HA3 0.507 4.468 3.960 0.001 0.000 0.257 447 G C -0.735 174.227 174.900 0.102 0.000 1.227 447 G CA -0.326 44.858 45.100 0.140 0.000 0.835 447 G HN 0.728 nan 8.290 nan 0.000 0.556 448 T N 1.263 115.866 114.554 0.082 0.000 2.792 448 T HA 0.427 4.778 4.350 0.001 0.000 0.280 448 T C 0.176 174.933 174.700 0.096 0.000 0.990 448 T CA -0.228 61.918 62.100 0.076 0.000 0.960 448 T CB 1.396 70.300 68.868 0.059 0.000 0.939 448 T HN 0.411 nan 8.240 nan 0.000 0.439 449 T N 4.881 119.487 114.554 0.086 0.000 2.761 449 T HA 0.420 4.771 4.350 0.001 0.000 0.296 449 T C 0.216 174.954 174.700 0.063 0.000 0.934 449 T CA -0.401 61.748 62.100 0.083 0.000 1.091 449 T CB 0.009 68.920 68.868 0.072 0.000 0.896 449 T HN 0.306 nan 8.240 nan 0.000 0.515 450 L N 3.199 124.457 121.223 0.059 0.000 2.334 450 L HA 0.718 5.058 4.340 0.001 0.000 0.275 450 L C 0.535 177.426 176.870 0.034 0.000 1.036 450 L CA -0.747 54.115 54.840 0.037 0.000 0.807 450 L CB 1.513 43.581 42.059 0.016 0.000 1.231 450 L HN 0.710 nan 8.230 nan 0.000 0.438 451 S N 2.120 117.833 115.700 0.023 0.000 2.564 451 S HA 0.803 5.274 4.470 0.001 0.000 0.274 451 S C -1.273 173.332 174.600 0.009 0.000 1.124 451 S CA -0.810 57.402 58.200 0.019 0.000 0.869 451 S CB 2.396 65.609 63.200 0.023 0.000 1.105 451 S HN 0.449 nan 8.310 nan 0.000 0.472 452 L N 1.794 123.019 121.223 0.003 0.000 2.476 452 L HA 0.620 4.961 4.340 0.001 0.000 0.269 452 L C -1.471 175.397 176.870 -0.004 0.000 0.965 452 L CA -0.227 54.612 54.840 -0.002 0.000 0.845 452 L CB 1.880 43.928 42.059 -0.019 0.000 1.259 452 L HN 0.908 nan 8.230 nan 0.000 0.403 453 D N 3.926 124.329 120.400 0.004 0.000 2.317 453 D HA 0.198 4.839 4.640 0.001 0.000 0.252 453 D C 0.464 176.752 176.300 -0.021 0.000 1.174 453 D CA -0.046 53.953 54.000 -0.002 0.000 0.866 453 D CB 1.173 41.980 40.800 0.011 0.000 1.127 453 D HN 0.513 nan 8.370 nan 0.000 0.467 454 L N 3.148 124.346 121.223 -0.043 0.000 2.607 454 L HA 0.021 4.362 4.340 0.001 0.000 0.228 454 L C 2.361 179.182 176.870 -0.082 0.000 1.123 454 L CA 0.442 55.231 54.840 -0.085 0.000 0.890 454 L CB -0.947 41.059 42.059 -0.089 0.000 1.103 454 L HN 0.518 nan 8.230 nan 0.000 0.468 455 S N -0.646 115.027 115.700 -0.045 0.000 2.419 455 S HA -0.214 4.257 4.470 0.001 0.000 0.235 455 S C 1.600 176.181 174.600 -0.033 0.000 1.019 455 S CA 1.613 59.792 58.200 -0.034 0.000 0.982 455 S CB -0.994 62.198 63.200 -0.014 0.000 0.789 455 S HN 0.545 nan 8.310 nan 0.000 0.490 456 N N 0.308 118.991 118.700 -0.028 0.000 2.205 456 N HA 0.497 5.237 4.740 0.001 0.000 0.201 456 N C 0.204 175.689 175.510 -0.042 0.000 1.128 456 N CA 0.335 53.383 53.050 -0.003 0.000 0.867 456 N CB 0.141 38.657 38.487 0.049 0.000 0.996 456 N HN 0.344 nan 8.380 nan 0.000 0.503 457 V N 2.002 121.798 119.914 -0.198 0.000 2.555 457 V HA 0.154 4.275 4.120 0.001 0.000 0.286 457 V C 0.221 176.102 176.094 -0.354 0.000 1.044 457 V CA -0.460 61.504 62.300 -0.560 0.000 1.026 457 V CB 0.972 32.360 31.823 -0.726 0.000 0.981 457 V HN 0.585 nan 8.190 nan 0.000 0.480 458 Q N 3.422 123.055 119.800 -0.280 0.000 2.260 458 Q HA 0.344 4.684 4.340 0.001 0.000 0.242 458 Q C 0.329 176.275 176.000 -0.090 0.000 0.932 458 Q CA -0.583 55.174 55.803 -0.076 0.000 0.891 458 Q CB 0.500 29.282 28.738 0.073 0.000 1.222 458 Q HN 0.746 nan 8.270 nan 0.000 0.453 459 N N 1.010 119.681 118.700 -0.048 0.000 2.740 459 N HA -0.214 4.526 4.740 0.001 0.000 0.248 459 N C 0.241 175.702 175.510 -0.082 0.000 1.062 459 N CA 0.401 53.426 53.050 -0.042 0.000 0.704 459 N CB -1.114 37.370 38.487 -0.004 0.000 0.968 459 N HN 0.655 nan 8.380 nan 0.000 0.547 460 L N 0.058 121.218 121.223 -0.106 0.000 2.353 460 L HA -0.145 4.196 4.340 0.001 0.000 0.220 460 L C 2.289 179.109 176.870 -0.084 0.000 1.133 460 L CA 1.704 56.476 54.840 -0.114 0.000 0.798 460 L CB -0.307 41.683 42.059 -0.114 0.000 0.922 460 L HN 0.395 nan 8.230 nan 0.000 0.445 461 S N -1.418 114.241 115.700 -0.068 0.000 2.522 461 S HA -0.110 4.361 4.470 0.001 0.000 0.227 461 S C 1.117 175.675 174.600 -0.070 0.000 0.986 461 S CA 0.277 58.443 58.200 -0.058 0.000 0.929 461 S CB -0.070 63.104 63.200 -0.044 0.000 0.769 461 S HN 0.528 nan 8.310 nan 0.000 0.529 462 Q N 1.402 121.151 119.800 -0.084 0.000 2.628 462 Q HA 0.397 4.738 4.340 0.001 0.000 0.397 462 Q C -1.285 174.640 176.000 -0.126 0.000 0.916 462 Q CA -0.329 55.403 55.803 -0.117 0.000 1.071 462 Q CB 1.403 30.054 28.738 -0.144 0.000 1.367 462 Q HN 0.248 nan 8.270 nan 0.000 0.404 463 V N 1.598 121.452 119.914 -0.100 0.000 2.572 463 V HA 0.069 4.190 4.120 0.001 0.000 0.291 463 V C 1.032 177.069 176.094 -0.095 0.000 1.039 463 V CA 0.235 62.482 62.300 -0.087 0.000 1.055 463 V CB 0.941 32.721 31.823 -0.071 0.000 0.969 463 V HN 0.545 nan 8.190 nan 0.000 0.482 464 R N 2.659 123.108 120.500 -0.086 0.000 2.250 464 R HA 0.355 4.696 4.340 0.001 0.000 0.194 464 R C 0.466 176.763 176.300 -0.005 0.000 0.927 464 R CA 0.125 56.183 56.100 -0.071 0.000 1.052 464 R CB 0.609 30.810 30.300 -0.165 0.000 1.055 464 R HN 0.811 nan 8.270 nan 0.000 0.537 465 E N 0.218 120.412 120.200 -0.010 0.000 2.375 465 E HA 0.457 4.808 4.350 0.001 0.000 0.280 465 E C -1.495 175.020 176.600 -0.141 0.000 0.972 465 E CA -0.447 55.914 56.400 -0.066 0.000 0.782 465 E CB 1.944 31.656 29.700 0.021 0.000 1.229 465 E HN -0.084 nan 8.360 nan 0.000 0.439 466 I N 2.518 122.911 120.570 -0.294 0.000 2.533 466 I HA 0.711 4.882 4.170 0.001 0.000 0.290 466 I C 0.114 175.871 176.117 -0.601 0.000 1.056 466 I CA -0.571 60.493 61.300 -0.393 0.000 1.057 466 I CB 2.113 39.991 38.000 -0.203 0.000 1.240 466 I HN 0.648 nan 8.210 nan 0.000 0.423 467 G N 4.271 112.537 108.800 -0.889 0.000 2.606 467 G HA2 0.659 4.620 3.960 0.001 0.000 0.300 467 G HA3 0.659 4.620 3.960 0.001 0.000 0.300 467 G C -2.015 172.627 174.900 -0.431 0.000 1.360 467 G CA -0.442 44.313 45.100 -0.574 0.000 0.783 467 G HN 0.292 nan 8.290 nan 0.000 0.484 468 V N 0.306 120.305 119.914 0.141 0.000 2.588 468 V HA 0.562 4.683 4.120 0.001 0.000 0.304 468 V C -0.350 175.933 176.094 0.315 0.000 1.042 468 V CA -0.616 61.763 62.300 0.131 0.000 0.877 468 V CB 1.663 33.463 31.823 -0.040 0.000 0.996 468 V HN 0.786 nan 8.190 nan 0.000 0.425 469 Q N 3.394 123.347 119.800 0.254 0.000 2.340 469 Q HA 0.549 4.890 4.340 0.001 0.000 0.259 469 Q C -1.726 174.343 176.000 0.115 0.000 0.964 469 Q CA -0.452 55.458 55.803 0.178 0.000 0.900 469 Q CB 0.977 29.876 28.738 0.270 0.000 1.228 469 Q HN 0.620 nan 8.270 nan 0.000 0.449 470 F N 2.132 122.148 119.950 0.110 0.000 2.404 470 F HA 0.333 4.862 4.527 0.002 0.000 0.339 470 F C 0.233 176.081 175.800 0.080 0.000 1.105 470 F CA -0.479 57.614 58.000 0.155 0.000 1.087 470 F CB 1.590 40.668 39.000 0.130 0.000 1.143 470 F HN 0.457 nan 8.300 nan 0.000 0.491 471 Q N 2.272 122.170 119.800 0.163 0.000 2.292 471 Q HA 0.420 4.761 4.340 0.001 0.000 0.270 471 Q C -1.029 174.936 176.000 -0.057 0.000 1.024 471 Q CA -0.500 55.261 55.803 -0.070 0.000 0.768 471 Q CB 1.578 30.027 28.738 -0.482 0.000 1.250 471 Q HN 0.765 nan 8.270 nan 0.000 0.447 472 S N 2.358 118.055 115.700 -0.004 0.000 2.589 472 S HA 0.151 4.622 4.470 0.001 0.000 0.265 472 S C -0.008 174.547 174.600 -0.074 0.000 1.342 472 S CA -0.584 57.601 58.200 -0.025 0.000 1.005 472 S CB 0.681 63.892 63.200 0.018 0.000 0.909 472 S HN 0.577 nan 8.310 nan 0.000 0.555 473 E N 0.956 121.116 120.200 -0.067 0.000 2.385 473 E HA 0.311 4.662 4.350 0.001 0.000 0.254 473 E C 1.612 178.180 176.600 -0.053 0.000 1.228 473 E CA 0.154 56.516 56.400 -0.065 0.000 0.956 473 E CB 0.074 29.745 29.700 -0.049 0.000 1.116 473 E HN 0.698 nan 8.360 nan 0.000 0.507 474 S N 0.253 115.926 115.700 -0.046 0.000 2.382 474 S HA -0.202 4.269 4.470 0.001 0.000 0.228 474 S C 1.601 176.185 174.600 -0.026 0.000 1.027 474 S CA 1.900 60.078 58.200 -0.036 0.000 0.991 474 S CB -0.791 62.391 63.200 -0.031 0.000 0.823 474 S HN 0.590 nan 8.310 nan 0.000 0.469 475 N N 0.410 119.095 118.700 -0.024 0.000 2.295 475 N HA 0.620 5.361 4.740 0.001 0.000 0.221 475 N C 0.449 175.947 175.510 -0.021 0.000 1.129 475 N CA 0.656 53.695 53.050 -0.019 0.000 0.836 475 N CB -0.475 38.003 38.487 -0.015 0.000 1.040 475 N HN 0.841 nan 8.380 nan 0.000 0.494 476 S N -0.601 115.083 115.700 -0.027 0.000 2.545 476 S HA 0.741 5.212 4.470 0.001 0.000 0.275 476 S C 0.510 175.098 174.600 -0.021 0.000 1.299 476 S CA 0.254 58.435 58.200 -0.032 0.000 1.048 476 S CB 0.085 63.258 63.200 -0.046 0.000 0.938 476 S HN 1.261 nan 8.310 nan 0.000 0.496 477 S N 0.159 115.845 115.700 -0.023 0.000 2.567 477 S HA 0.997 5.468 4.470 0.001 0.000 0.270 477 S C 0.092 174.679 174.600 -0.020 0.000 1.152 477 S CA -0.015 58.176 58.200 -0.014 0.000 0.835 477 S CB 0.749 63.945 63.200 -0.008 0.000 1.115 477 S HN 2.510 nan 8.310 nan 0.000 0.459 478 G N 0.372 109.161 108.800 -0.017 0.000 2.525 478 G HA2 0.247 4.208 3.960 0.001 0.000 0.685 478 G HA3 0.247 4.208 3.960 0.001 0.000 0.685 478 G C -1.119 173.761 174.900 -0.034 0.000 1.290 478 G CA -0.671 44.418 45.100 -0.019 0.000 0.915 478 G HN 0.971 nan 8.290 nan 0.000 0.548 479 Q N -0.612 119.170 119.800 -0.029 0.000 2.230 479 Q HA 0.727 5.068 4.340 0.001 0.000 0.248 479 Q C 0.211 176.184 176.000 -0.045 0.000 0.915 479 Q CA -0.005 55.773 55.803 -0.041 0.000 0.900 479 Q CB 1.952 30.678 28.738 -0.020 0.000 1.229 479 Q HN 0.799 nan 8.270 nan 0.000 0.439 480 T N -0.210 114.300 114.554 -0.073 0.000 2.693 480 T HA 0.463 4.814 4.350 0.001 0.000 0.304 480 T C -1.439 173.205 174.700 -0.092 0.000 1.471 480 T CA -0.521 61.547 62.100 -0.053 0.000 0.993 480 T CB 1.652 70.483 68.868 -0.062 0.000 1.554 480 T HN 0.476 nan 8.240 nan 0.000 0.496 481 S N 0.786 116.449 115.700 -0.061 0.000 2.542 481 S HA 0.800 5.271 4.470 0.001 0.000 0.293 481 S C -0.738 173.717 174.600 -0.241 0.000 1.089 481 S CA -0.781 57.303 58.200 -0.192 0.000 0.961 481 S CB 0.977 64.062 63.200 -0.192 0.000 1.062 481 S HN 0.747 nan 8.310 nan 0.000 0.483 482 I N -0.317 119.959 120.570 -0.490 0.000 2.646 482 I HA 0.764 4.935 4.170 0.001 0.000 0.299 482 I C -1.760 174.049 176.117 -0.513 0.000 1.036 482 I CA -0.945 60.076 61.300 -0.465 0.000 1.074 482 I CB 1.369 38.769 38.000 -1.000 0.000 1.258 482 I HN 0.485 nan 8.210 nan 0.000 0.430 483 Y N 4.602 124.815 120.300 -0.144 0.000 2.545 483 Y HA 0.779 5.329 4.550 0.001 0.000 0.348 483 Y C -0.355 175.625 175.900 0.133 0.000 1.002 483 Y CA -1.110 56.974 58.100 -0.026 0.000 1.039 483 Y CB 2.140 40.568 38.460 -0.053 0.000 1.271 483 Y HN 0.432 nan 8.280 nan 0.000 0.467 484 I N 1.731 122.473 120.570 0.287 0.000 2.722 484 I HA 0.444 4.615 4.170 0.001 0.000 0.295 484 I C -1.501 174.772 176.117 0.260 0.000 1.161 484 I CA -0.563 60.882 61.300 0.241 0.000 1.032 484 I CB 2.526 40.536 38.000 0.017 0.000 1.244 484 I HN 0.588 nan 8.210 nan 0.000 0.421 485 D N 3.476 124.097 120.400 0.368 0.000 2.622 485 D HA 0.261 4.902 4.640 0.001 0.000 0.255 485 D C -0.653 175.794 176.300 0.244 0.000 1.246 485 D CA -0.324 53.890 54.000 0.357 0.000 0.795 485 D CB 1.421 42.323 40.800 0.170 0.000 1.369 485 D HN 0.486 nan 8.370 nan 0.000 0.425 486 N N 1.086 119.887 118.700 0.167 0.000 2.667 486 N HA -0.151 4.589 4.740 0.001 0.000 0.263 486 N C -1.420 174.154 175.510 0.105 0.000 1.038 486 N CA 0.593 53.693 53.050 0.084 0.000 0.749 486 N CB -0.815 37.703 38.487 0.052 0.000 0.892 486 N HN 0.193 nan 8.380 nan 0.000 0.546 487 V N 3.650 123.642 119.914 0.129 0.000 2.427 487 V HA 0.377 4.498 4.120 0.001 0.000 0.268 487 V C 0.927 177.083 176.094 0.104 0.000 1.046 487 V CA -0.357 62.050 62.300 0.179 0.000 0.970 487 V CB 0.530 32.570 31.823 0.362 0.000 1.001 487 V HN 0.388 nan 8.190 nan 0.000 0.476 488 I N 5.096 125.710 120.570 0.074 0.000 2.828 488 I HA 0.886 5.057 4.170 0.001 0.000 0.302 488 I C -0.464 175.667 176.117 0.024 0.000 1.101 488 I CA -1.008 60.309 61.300 0.028 0.000 1.031 488 I CB 1.894 39.902 38.000 0.012 0.000 1.231 488 I HN 0.374 nan 8.210 nan 0.000 0.427 489 V N 1.675 121.590 119.914 0.001 0.000 2.914 489 V HA 0.896 5.017 4.120 0.001 0.000 0.314 489 V C -0.587 175.499 176.094 -0.014 0.000 1.084 489 V CA -0.428 61.869 62.300 -0.005 0.000 0.963 489 V CB 1.818 33.633 31.823 -0.013 0.000 1.025 489 V HN 1.120 nan 8.190 nan 0.000 0.432 490 E N 0.000 120.192 120.200 -0.014 0.000 2.725 490 E HA 0.000 4.351 4.350 0.001 0.000 0.291 490 E CA 0.000 56.391 56.400 -0.015 0.000 0.976 490 E CB 0.000 29.694 29.700 -0.010 0.000 0.812 490 E HN 0.000 nan 8.360 nan 0.000 0.440