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 2x3k_1_B DATA FIRST_RESID 7 DATA SEQUENCE DVLSRMISEK AALHGLLNCL IKEFAIPEGY LRYEWPDEMK GIPPGAYFDG DATA SEQUENCE ADWKGIPMMI GLPDQLQLFV MVDRRDTFGS QHYLSDVYLR QXXGDWQCPD DATA SEQUENCE FEPLVARLLA ACEHIAGRKN PELYEQILQS QRLVSAIVSH NGRQRADAPL DATA SEQUENCE QHYLQSEQGL WFGHPSHPAP KARLWPAHLG QEQWAPEFQA RAALHQFEVP DATA SEQUENCE VDGLHIGANG LTPQQVLDGF ADQQPASPGH AIICMHPVQA QLFMQDARVQ DATA SEQUENCE QLLRDNVIRD LGQSGRVASP TASIRTWFID DHDYFIKGSL NVRITNCVRK DATA SEQUENCE NAWYELESTV LIDRLFRQLL DQHADTLGGL VAAAEPGVVS WSPAAAGELD DATA SEQUENCE SHWFREQTGG ILRENFCRRT GAERSIMAGT LFARGVDLQP MIQTFLRTHY DATA SEQUENCE GEALDDNALL YWFDDYQTRL LRPVLSLFFN HGVVMEPHLQ NSVLVHQQGR DATA SEQUENCE PQQVLLRDFE GVKLTDDLGI RYXXXXIHPR VRQSLLYSRE QGWNRIMYCL DATA SEQUENCE FINHLSETIL ALSQGRPQLA PLMWRRVQQQ LRAIQGELKQ PSPELDALIA DATA SEQUENCE GHPVACKTNL KVRLAAXXXX XASYVRLPSP W 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.286 176.300 -0.023 0.000 2.045 7 D CA 0.000 53.985 54.000 -0.026 0.000 0.868 7 D CB 0.000 40.790 40.800 -0.017 0.000 0.688 8 V N 1.572 121.474 119.914 -0.019 0.000 2.453 8 V HA -0.012 4.069 4.120 -0.065 0.000 0.247 8 V C 2.564 178.643 176.094 -0.026 0.000 1.048 8 V CA 1.467 63.755 62.300 -0.019 0.000 1.049 8 V CB -0.461 31.355 31.823 -0.011 0.000 0.672 8 V HN 0.274 nan 8.190 nan 0.000 0.457 9 L N 0.299 121.506 121.223 -0.026 0.000 2.012 9 L HA -0.164 4.137 4.340 -0.065 0.000 0.210 9 L C 2.656 179.504 176.870 -0.037 0.000 1.073 9 L CA 2.161 56.984 54.840 -0.028 0.000 0.748 9 L CB -0.602 41.441 42.059 -0.027 0.000 0.891 9 L HN 0.288 nan 8.230 nan 0.000 0.431 10 S N -0.826 114.848 115.700 -0.043 0.000 2.370 10 S HA -0.275 4.156 4.470 -0.065 0.000 0.226 10 S C 2.066 176.635 174.600 -0.052 0.000 1.033 10 S CA 1.650 59.819 58.200 -0.052 0.000 1.011 10 S CB -0.471 62.694 63.200 -0.058 0.000 0.852 10 S HN 0.425 nan 8.310 nan 0.000 0.457 11 R N 0.738 121.205 120.500 -0.054 0.000 2.081 11 R HA 0.009 4.310 4.340 -0.065 0.000 0.235 11 R C 2.328 178.565 176.300 -0.105 0.000 1.131 11 R CA 1.357 57.410 56.100 -0.078 0.000 0.960 11 R CB -0.248 30.015 30.300 -0.061 0.000 0.856 11 R HN 0.381 nan 8.270 nan 0.000 0.436 12 M N 0.129 119.685 119.600 -0.075 0.000 2.132 12 M HA -0.128 4.313 4.480 -0.065 0.000 0.263 12 M C 2.258 178.504 176.300 -0.090 0.000 1.065 12 M CA 1.505 56.758 55.300 -0.079 0.000 1.122 12 M CB -0.230 32.343 32.600 -0.045 0.000 1.365 12 M HN 0.175 nan 8.290 nan 0.000 0.411 13 I N 0.340 120.874 120.570 -0.059 0.000 2.151 13 I HA -0.351 3.780 4.170 -0.065 0.000 0.243 13 I C 2.761 178.850 176.117 -0.048 0.000 1.080 13 I CA 1.868 63.145 61.300 -0.038 0.000 1.339 13 I CB -0.591 37.421 38.000 0.020 0.000 1.039 13 I HN 0.394 nan 8.210 nan 0.000 0.409 14 S N 0.575 116.248 115.700 -0.046 0.000 2.368 14 S HA -0.211 4.219 4.470 -0.065 0.000 0.225 14 S C 1.807 176.268 174.600 -0.231 0.000 1.030 14 S CA 1.298 59.467 58.200 -0.050 0.000 0.999 14 S CB -0.605 62.556 63.200 -0.065 0.000 0.844 14 S HN 0.514 nan 8.310 nan 0.000 0.459 15 E N 1.379 121.351 120.200 -0.380 0.000 2.118 15 E HA -0.168 4.143 4.350 -0.065 0.000 0.195 15 E C 2.163 178.580 176.600 -0.306 0.000 0.992 15 E CA 1.267 57.282 56.400 -0.641 0.000 0.804 15 E CB -0.173 29.186 29.700 -0.567 0.000 0.741 15 E HN 0.675 nan 8.360 nan 0.000 0.458 16 K N 0.843 121.088 120.400 -0.259 0.000 2.031 16 K HA -0.068 4.213 4.320 -0.065 0.000 0.205 16 K C 2.240 178.542 176.600 -0.497 0.000 1.049 16 K CA 0.952 57.011 56.287 -0.379 0.000 0.939 16 K CB -0.101 32.206 32.500 -0.322 0.000 0.717 16 K HN 0.071 nan 8.250 nan 0.000 0.438 17 A N 1.411 124.028 122.820 -0.338 0.000 1.859 17 A HA -0.228 4.053 4.320 -0.065 0.000 0.217 17 A C 2.378 179.911 177.584 -0.085 0.000 1.198 17 A CA 2.390 54.252 52.037 -0.292 0.000 0.629 17 A CB -1.206 17.522 19.000 -0.453 0.000 0.830 17 A HN 0.514 nan 8.150 nan 0.000 0.446 18 A N -0.687 122.122 122.820 -0.018 0.000 1.851 18 A HA -0.091 4.190 4.320 -0.065 0.000 0.216 18 A C 2.146 179.835 177.584 0.175 0.000 1.195 18 A CA 1.955 54.071 52.037 0.132 0.000 0.622 18 A CB -0.878 18.246 19.000 0.207 0.000 0.831 18 A HN 0.826 nan 8.150 nan 0.000 0.444 19 L N -0.018 121.327 121.223 0.203 0.000 2.021 19 L HA -0.280 4.021 4.340 -0.065 0.000 0.215 19 L C 2.276 179.170 176.870 0.040 0.000 1.074 19 L CA 2.703 57.615 54.840 0.120 0.000 0.760 19 L CB -1.253 40.846 42.059 0.067 0.000 0.889 19 L HN 0.630 nan 8.230 nan 0.000 0.433 20 H N -1.739 117.296 119.070 -0.058 0.000 2.421 20 H HA -0.075 4.441 4.556 -0.068 0.000 0.298 20 H C 2.044 177.388 175.328 0.028 0.000 1.087 20 H CA 0.479 56.462 56.048 -0.109 0.000 1.330 20 H CB -0.187 29.591 29.762 0.027 0.000 1.388 20 H HN 0.554 nan 8.280 nan 0.000 0.526 21 G N 0.959 109.872 108.800 0.187 0.000 2.421 21 G HA2 -0.241 3.680 3.960 -0.065 0.000 0.216 21 G HA3 -0.241 3.680 3.960 -0.065 0.000 0.216 21 G C 1.624 176.618 174.900 0.157 0.000 1.171 21 G CA 0.555 45.767 45.100 0.188 0.000 0.775 21 G HN 0.210 nan 8.290 nan 0.000 0.543 22 L N 0.437 121.733 121.223 0.122 0.000 2.083 22 L HA 0.111 4.412 4.340 -0.065 0.000 0.209 22 L C 2.701 179.614 176.870 0.072 0.000 1.083 22 L CA 1.300 56.192 54.840 0.087 0.000 0.752 22 L CB -0.424 41.669 42.059 0.056 0.000 0.899 22 L HN 0.207 nan 8.230 nan 0.000 0.433 23 L N -0.827 120.416 121.223 0.033 0.000 2.093 23 L HA -0.185 4.116 4.340 -0.065 0.000 0.208 23 L C 2.227 179.191 176.870 0.156 0.000 1.085 23 L CA 0.870 55.723 54.840 0.022 0.000 0.755 23 L CB -0.696 41.225 42.059 -0.230 0.000 0.904 23 L HN 0.316 nan 8.230 nan 0.000 0.435 24 N N -0.402 118.425 118.700 0.210 0.000 2.094 24 N HA -0.195 4.506 4.740 -0.065 0.000 0.191 24 N C 1.849 177.452 175.510 0.155 0.000 1.023 24 N CA 1.652 54.833 53.050 0.219 0.000 0.857 24 N CB -0.667 37.945 38.487 0.209 0.000 1.013 24 N HN 0.340 nan 8.380 nan 0.000 0.426 25 C N 0.299 119.681 119.300 0.136 0.000 2.453 25 C HA 0.049 4.469 4.460 -0.065 0.000 0.277 25 C C 2.758 177.850 174.990 0.171 0.000 1.262 25 C CA -0.080 59.006 59.018 0.114 0.000 1.718 25 C CB -1.196 26.601 27.740 0.096 0.000 2.031 25 C HN 0.479 nan 8.230 nan 0.000 0.480 26 L N 0.549 121.887 121.223 0.191 0.000 2.012 26 L HA -0.159 4.142 4.340 -0.065 0.000 0.210 26 L C 2.321 179.329 176.870 0.229 0.000 1.073 26 L CA 1.963 56.951 54.840 0.245 0.000 0.748 26 L CB -0.346 41.793 42.059 0.133 0.000 0.891 26 L HN 0.306 nan 8.230 nan 0.000 0.431 27 I N -0.149 120.520 120.570 0.165 0.000 2.252 27 I HA -0.292 3.839 4.170 -0.065 0.000 0.245 27 I C 2.493 178.666 176.117 0.094 0.000 1.102 27 I CA 1.405 62.782 61.300 0.129 0.000 1.385 27 I CB -0.156 37.922 38.000 0.130 0.000 1.064 27 I HN 0.178 nan 8.210 nan 0.000 0.414 28 K N 0.220 120.670 120.400 0.083 0.000 2.076 28 K HA -0.078 4.203 4.320 -0.065 0.000 0.204 28 K C 1.988 178.559 176.600 -0.048 0.000 1.051 28 K CA 1.145 57.449 56.287 0.028 0.000 0.949 28 K CB 0.037 32.554 32.500 0.029 0.000 0.726 28 K HN 0.284 nan 8.250 nan 0.000 0.443 29 E N -0.992 119.162 120.200 -0.077 0.000 2.190 29 E HA -0.005 4.306 4.350 -0.065 0.000 0.191 29 E C 1.204 177.513 176.600 -0.486 0.000 0.978 29 E CA 0.757 56.968 56.400 -0.314 0.000 0.839 29 E CB 0.255 29.712 29.700 -0.404 0.000 0.787 29 E HN 0.155 nan 8.360 nan 0.000 0.473 30 F N -0.074 119.866 119.950 -0.016 0.000 2.534 30 F HA 0.270 4.805 4.527 0.015 0.000 0.274 30 F C 2.243 177.999 175.800 -0.074 0.000 0.917 30 F CA 0.349 58.343 58.000 -0.010 0.000 1.145 30 F CB -0.533 38.515 39.000 0.080 0.000 1.145 30 F HN -0.087 nan 8.300 nan 0.000 0.746 31 A N 0.740 123.686 122.820 0.209 0.000 1.902 31 A HA -0.124 4.157 4.320 -0.065 0.000 0.217 31 A C 2.119 179.680 177.584 -0.039 0.000 1.181 31 A CA 1.812 53.913 52.037 0.106 0.000 0.623 31 A CB -1.163 17.927 19.000 0.150 0.000 0.818 31 A HN 0.412 nan 8.150 nan 0.000 0.443 32 I N -0.147 120.409 120.570 -0.023 0.000 2.233 32 I HA -0.123 4.008 4.170 -0.065 0.000 0.243 32 I C -0.453 175.609 176.117 -0.091 0.000 1.093 32 I CA 1.112 62.384 61.300 -0.047 0.000 1.380 32 I CB -1.395 36.600 38.000 -0.009 0.000 1.067 32 I HN 0.215 nan 8.210 nan 0.000 0.413 33 P HA -0.148 nan 4.420 nan 0.000 0.216 33 P C 1.285 178.477 177.300 -0.179 0.000 1.153 33 P CA 1.460 64.485 63.100 -0.125 0.000 0.848 33 P CB -0.057 31.561 31.700 -0.137 0.000 0.787 34 E N -1.806 118.213 120.200 -0.302 0.000 2.170 34 E HA 0.124 4.435 4.350 -0.065 0.000 0.191 34 E C 1.168 177.453 176.600 -0.525 0.000 0.981 34 E CA 1.011 57.120 56.400 -0.485 0.000 0.830 34 E CB -0.175 29.067 29.700 -0.763 0.000 0.775 34 E HN 0.275 nan 8.360 nan 0.000 0.470 35 G N 0.826 109.360 108.800 -0.444 0.000 2.151 35 G HA2 -0.180 3.740 3.960 -0.065 0.000 0.140 35 G HA3 -0.180 3.740 3.960 -0.065 0.000 0.140 35 G C 0.183 175.086 174.900 0.006 0.000 1.020 35 G CA -0.264 44.737 45.100 -0.164 0.000 0.688 35 G HN 0.113 nan 8.290 nan 0.000 0.500 36 Y N -0.245 120.062 120.300 0.011 0.000 2.490 36 Y HA 0.532 5.033 4.550 -0.082 0.000 0.281 36 Y C 1.380 177.265 175.900 -0.025 0.000 1.174 36 Y CA -0.768 57.335 58.100 0.006 0.000 1.295 36 Y CB 0.030 38.506 38.460 0.027 0.000 1.062 36 Y HN 0.399 nan 8.280 nan 0.000 0.522 37 L N 1.291 122.550 121.223 0.060 0.000 2.322 37 L HA 0.613 4.914 4.340 -0.065 0.000 0.281 37 L C -0.730 176.060 176.870 -0.133 0.000 1.014 37 L CA -0.614 54.184 54.840 -0.071 0.000 0.815 37 L CB 0.838 42.809 42.059 -0.147 0.000 1.247 37 L HN -0.166 nan 8.230 nan 0.000 0.421 38 R N 3.782 124.174 120.500 -0.181 0.000 2.744 38 R HA 0.305 4.606 4.340 -0.065 0.000 0.279 38 R C -1.673 174.455 176.300 -0.286 0.000 0.977 38 R CA -0.613 55.386 56.100 -0.169 0.000 0.906 38 R CB 1.476 31.753 30.300 -0.037 0.000 1.197 38 R HN 0.519 nan 8.270 nan 0.000 0.463 39 Y N 1.824 122.086 120.300 -0.063 0.000 2.751 39 Y HA 0.230 4.743 4.550 -0.061 0.000 0.333 39 Y C 0.723 176.533 175.900 -0.150 0.000 1.122 39 Y CA -0.140 57.883 58.100 -0.127 0.000 1.367 39 Y CB 0.568 38.952 38.460 -0.126 0.000 1.242 39 Y HN 0.491 nan 8.280 nan 0.000 0.505 40 E N 0.446 120.602 120.200 -0.074 0.000 2.407 40 E HA 0.291 4.602 4.350 -0.065 0.000 0.279 40 E C -1.806 174.735 176.600 -0.098 0.000 1.012 40 E CA -1.158 55.195 56.400 -0.078 0.000 0.800 40 E CB 0.972 30.689 29.700 0.029 0.000 1.276 40 E HN 0.314 nan 8.360 nan 0.000 0.452 41 W N 1.339 122.625 121.300 -0.023 0.000 2.316 41 W HA 0.382 5.003 4.660 -0.064 0.000 0.321 41 W C -2.005 174.482 176.519 -0.054 0.000 1.203 41 W CA -1.554 55.746 57.345 -0.075 0.000 1.214 41 W CB 0.285 29.602 29.460 -0.237 0.000 1.169 41 W HN 0.356 nan 8.180 nan 0.000 0.561 42 P HA -0.101 nan 4.420 nan 0.000 0.266 42 P C 0.607 177.973 177.300 0.110 0.000 1.193 42 P CA 0.317 63.528 63.100 0.185 0.000 0.770 42 P CB 0.667 32.485 31.700 0.197 0.000 0.836 43 D N 0.488 120.953 120.400 0.108 0.000 2.350 43 D HA -0.137 4.464 4.640 -0.065 0.000 0.216 43 D C 0.227 176.541 176.300 0.023 0.000 0.968 43 D CA 1.088 55.117 54.000 0.049 0.000 0.894 43 D CB -0.215 40.610 40.800 0.042 0.000 0.909 43 D HN 0.451 nan 8.370 nan 0.000 0.520 44 E N -0.250 119.989 120.200 0.064 0.000 2.448 44 E HA 0.150 4.461 4.350 -0.065 0.000 0.288 44 E C -0.070 176.609 176.600 0.131 0.000 0.936 44 E CA -0.420 56.014 56.400 0.056 0.000 0.809 44 E CB 0.749 30.476 29.700 0.046 0.000 1.408 44 E HN -0.165 nan 8.360 nan 0.000 0.393 45 M N 2.325 121.915 119.600 -0.018 0.000 2.633 45 M HA 0.126 4.566 4.480 -0.065 0.000 0.226 45 M C 0.506 176.823 176.300 0.028 0.000 1.137 45 M CA 0.193 55.418 55.300 -0.126 0.000 1.020 45 M CB -0.933 31.473 32.600 -0.323 0.000 1.675 45 M HN 0.367 nan 8.290 nan 0.000 0.500 46 K N 1.103 121.589 120.400 0.142 0.000 2.447 46 K HA 0.184 4.465 4.320 -0.065 0.000 0.281 46 K C 1.069 177.789 176.600 0.200 0.000 1.031 46 K CA 1.082 57.442 56.287 0.122 0.000 1.019 46 K CB 0.294 32.842 32.500 0.079 0.000 0.918 46 K HN 0.563 nan 8.250 nan 0.000 0.476 47 G N 3.686 112.564 108.800 0.130 0.000 2.213 47 G HA2 -0.224 3.697 3.960 -0.065 0.000 0.226 47 G HA3 -0.224 3.697 3.960 -0.065 0.000 0.226 47 G C 0.108 175.068 174.900 0.100 0.000 0.992 47 G CA -0.163 45.037 45.100 0.168 0.000 0.632 47 G HN 0.587 nan 8.290 nan 0.000 0.511 48 I N 3.643 124.163 120.570 -0.085 0.000 2.321 48 I HA 0.354 4.484 4.170 -0.065 0.000 0.291 48 I C -1.676 174.385 176.117 -0.094 0.000 0.998 48 I CA -2.238 58.836 61.300 -0.376 0.000 1.227 48 I CB 1.540 39.123 38.000 -0.696 0.000 1.368 48 I HN -0.074 nan 8.210 nan 0.000 0.466 49 P HA 0.204 nan 4.420 nan 0.000 0.274 49 P C -2.283 175.003 177.300 -0.023 0.000 1.231 49 P CA -1.464 61.653 63.100 0.029 0.000 0.790 49 P CB 0.221 31.971 31.700 0.083 0.000 0.951 50 P HA -0.160 nan 4.420 nan 0.000 0.216 50 P C 1.634 178.772 177.300 -0.271 0.000 1.153 50 P CA 1.886 64.813 63.100 -0.288 0.000 0.858 50 P CB -0.519 31.126 31.700 -0.092 0.000 0.789 51 G N -0.323 108.444 108.800 -0.054 0.000 2.527 51 G HA2 -0.190 3.731 3.960 -0.065 0.000 0.219 51 G HA3 -0.190 3.731 3.960 -0.065 0.000 0.219 51 G C 1.539 176.472 174.900 0.055 0.000 1.117 51 G CA 0.774 45.877 45.100 0.007 0.000 0.759 51 G HN 0.382 nan 8.290 nan 0.000 0.556 52 A N 0.076 122.949 122.820 0.089 0.000 2.016 52 A HA 0.227 4.508 4.320 -0.065 0.000 0.217 52 A C 1.940 179.743 177.584 0.365 0.000 1.162 52 A CA 1.499 53.685 52.037 0.248 0.000 0.662 52 A CB -0.243 18.936 19.000 0.299 0.000 0.812 52 A HN 0.765 nan 8.150 nan 0.000 0.450 53 Y N -5.486 115.014 120.300 0.334 0.000 2.425 53 Y HA 0.592 5.103 4.550 -0.065 0.000 0.261 53 Y C 0.205 176.480 175.900 0.624 0.000 1.084 53 Y CA -1.398 57.001 58.100 0.498 0.000 1.248 53 Y CB 0.197 39.048 38.460 0.653 0.000 1.270 53 Y HN 0.038 nan 8.280 nan 0.000 0.524 54 F N 4.096 124.012 119.950 -0.057 0.000 2.458 54 F HA 0.411 4.898 4.527 -0.066 0.000 0.336 54 F C 0.305 176.088 175.800 -0.029 0.000 1.114 54 F CA -1.958 56.043 58.000 0.001 0.000 0.987 54 F CB 1.354 40.251 39.000 -0.172 0.000 1.130 54 F HN 0.158 nan 8.300 nan 0.000 0.458 55 D N 2.057 122.070 120.400 -0.645 0.000 2.369 55 D HA 0.289 4.890 4.640 -0.065 0.000 0.211 55 D C 1.416 177.271 176.300 -0.742 0.000 1.077 55 D CA 0.774 54.461 54.000 -0.522 0.000 0.842 55 D CB 0.578 41.220 40.800 -0.263 0.000 0.947 55 D HN 0.840 nan 8.370 nan 0.000 0.509 56 G N -0.013 107.869 108.800 -1.530 0.000 2.612 56 G HA2 -0.159 3.762 3.960 -0.065 0.000 0.200 56 G HA3 -0.159 3.762 3.960 -0.065 0.000 0.200 56 G C 1.161 175.723 174.900 -0.564 0.000 1.053 56 G CA 0.210 44.777 45.100 -0.889 0.000 0.707 56 G HN 0.721 nan 8.290 nan 0.000 0.497 57 A N -0.906 121.623 122.820 -0.485 0.000 2.013 57 A HA 0.593 4.874 4.320 -0.065 0.000 0.204 57 A C 0.678 178.165 177.584 -0.162 0.000 1.262 57 A CA 1.973 53.890 52.037 -0.201 0.000 0.800 57 A CB 0.431 19.342 19.000 -0.148 0.000 0.909 57 A HN 0.481 nan 8.150 nan 0.000 0.472 58 D N -3.194 117.045 120.400 -0.269 0.000 2.677 58 D HA 0.405 5.005 4.640 -0.065 0.000 0.298 58 D C -1.501 174.701 176.300 -0.164 0.000 1.250 58 D CA -0.759 53.072 54.000 -0.281 0.000 0.888 58 D CB 0.485 41.191 40.800 -0.158 0.000 1.397 58 D HN 0.229 nan 8.370 nan 0.000 0.461 59 W N 1.331 122.827 121.300 0.328 0.000 2.181 59 W HA 0.275 4.896 4.660 -0.064 0.000 0.335 59 W C 1.035 177.702 176.519 0.247 0.000 1.310 59 W CA -0.580 57.011 57.345 0.410 0.000 1.226 59 W CB 0.337 30.142 29.460 0.575 0.000 1.155 59 W HN -0.060 nan 8.180 nan 0.000 0.565 60 K N 3.970 124.655 120.400 0.475 0.000 2.686 60 K HA 0.236 4.517 4.320 -0.065 0.000 0.244 60 K C 0.811 177.550 176.600 0.233 0.000 1.262 60 K CA 0.595 57.043 56.287 0.268 0.000 1.199 60 K CB -0.750 31.891 32.500 0.234 0.000 1.428 60 K HN 0.846 nan 8.250 nan 0.000 0.247 61 G N 1.276 110.208 108.800 0.219 0.000 2.481 61 G HA2 -0.256 3.664 3.960 -0.065 0.000 0.230 61 G HA3 -0.256 3.664 3.960 -0.065 0.000 0.230 61 G C -0.474 174.482 174.900 0.094 0.000 1.210 61 G CA -0.806 44.370 45.100 0.126 0.000 0.936 61 G HN 0.345 nan 8.290 nan 0.000 0.583 62 I N 2.706 123.250 120.570 -0.043 0.000 2.465 62 I HA 0.424 4.555 4.170 -0.065 0.000 0.291 62 I C -2.119 173.808 176.117 -0.318 0.000 1.014 62 I CA -2.194 59.000 61.300 -0.175 0.000 1.093 62 I CB 2.530 40.445 38.000 -0.141 0.000 1.267 62 I HN 0.346 nan 8.210 nan 0.000 0.431 63 P HA 0.117 nan 4.420 nan 0.000 0.271 63 P C -1.048 176.031 177.300 -0.367 0.000 1.216 63 P CA -0.215 62.471 63.100 -0.691 0.000 0.771 63 P CB 1.189 32.222 31.700 -1.112 0.000 0.864 64 M N 4.452 123.789 119.600 -0.439 0.000 2.253 64 M HA 0.434 4.875 4.480 -0.065 0.000 0.314 64 M C -1.257 174.882 176.300 -0.269 0.000 1.019 64 M CA -0.705 54.410 55.300 -0.308 0.000 0.932 64 M CB 1.296 33.766 32.600 -0.218 0.000 1.606 64 M HN 0.270 nan 8.290 nan 0.000 0.430 65 M N 6.181 125.686 119.600 -0.159 0.000 2.393 65 M HA 0.542 4.983 4.480 -0.065 0.000 0.316 65 M C -1.242 175.056 176.300 -0.003 0.000 1.087 65 M CA -0.588 54.713 55.300 0.002 0.000 0.937 65 M CB 2.294 34.953 32.600 0.099 0.000 1.668 65 M HN 0.607 nan 8.290 nan 0.000 0.438 66 I N 2.004 122.615 120.570 0.069 0.000 2.411 66 I HA 0.389 4.520 4.170 -0.065 0.000 0.284 66 I C 0.502 176.661 176.117 0.071 0.000 1.012 66 I CA -0.669 60.673 61.300 0.069 0.000 1.119 66 I CB 1.759 39.803 38.000 0.073 0.000 1.261 66 I HN 0.793 nan 8.210 nan 0.000 0.448 67 G N 7.055 115.884 108.800 0.048 0.000 2.403 67 G HA2 0.588 4.509 3.960 -0.065 0.000 0.259 67 G HA3 0.588 4.509 3.960 -0.065 0.000 0.259 67 G C -0.718 174.074 174.900 -0.181 0.000 1.244 67 G CA -0.233 44.846 45.100 -0.034 0.000 0.849 67 G HN 0.485 nan 8.290 nan 0.000 0.532 68 L N 3.822 124.916 121.223 -0.215 0.000 2.404 68 L HA 0.302 4.603 4.340 -0.065 0.000 0.272 68 L C -2.305 174.381 176.870 -0.308 0.000 0.980 68 L CA -1.933 52.717 54.840 -0.317 0.000 0.836 68 L CB 3.053 45.002 42.059 -0.184 0.000 1.238 68 L HN 0.298 nan 8.230 nan 0.000 0.408 69 P HA -0.008 nan 4.420 nan 0.000 0.250 69 P C -0.570 176.538 177.300 -0.321 0.000 1.161 69 P CA 0.743 63.696 63.100 -0.245 0.000 0.863 69 P CB 0.154 31.783 31.700 -0.117 0.000 0.827 70 D N 1.337 121.550 120.400 -0.311 0.000 4.431 70 D HA -0.102 4.499 4.640 -0.065 0.000 0.102 70 D C 0.213 176.383 176.300 -0.217 0.000 0.402 70 D CA -0.336 53.461 54.000 -0.338 0.000 0.577 70 D CB -1.975 38.611 40.800 -0.356 0.000 1.643 70 D HN 0.301 nan 8.370 nan 0.000 0.030 71 Q N -0.378 119.313 119.800 -0.181 0.000 2.461 71 Q HA -0.236 4.065 4.340 -0.065 0.000 0.273 71 Q C -0.725 175.185 176.000 -0.150 0.000 1.163 71 Q CA 0.845 56.559 55.803 -0.148 0.000 0.929 71 Q CB -1.057 27.604 28.738 -0.129 0.000 1.334 71 Q HN 0.532 nan 8.270 nan 0.000 0.499 72 L N 0.852 121.984 121.223 -0.151 0.000 2.282 72 L HA 0.374 4.675 4.340 -0.065 0.000 0.288 72 L C -0.168 176.648 176.870 -0.091 0.000 1.033 72 L CA 0.259 55.023 54.840 -0.127 0.000 0.807 72 L CB 1.622 43.611 42.059 -0.116 0.000 1.209 72 L HN 0.062 nan 8.230 nan 0.000 0.423 73 Q N 3.506 123.258 119.800 -0.080 0.000 2.301 73 Q HA 0.703 5.004 4.340 -0.065 0.000 0.267 73 Q C -1.561 174.579 176.000 0.233 0.000 1.035 73 Q CA -0.581 55.247 55.803 0.042 0.000 0.856 73 Q CB 2.682 31.403 28.738 -0.029 0.000 1.337 73 Q HN 0.712 nan 8.270 nan 0.000 0.450 74 L N 2.230 123.672 121.223 0.366 0.000 2.409 74 L HA 0.610 4.910 4.340 -0.065 0.000 0.272 74 L C -1.819 175.291 176.870 0.399 0.000 0.980 74 L CA -0.690 54.394 54.840 0.405 0.000 0.826 74 L CB 0.963 43.134 42.059 0.187 0.000 1.268 74 L HN 0.648 nan 8.230 nan 0.000 0.407 75 F N 5.870 125.919 119.950 0.165 0.000 2.469 75 F HA 0.807 5.294 4.527 -0.066 0.000 0.332 75 F C -1.295 174.504 175.800 -0.001 0.000 1.103 75 F CA -0.452 57.459 58.000 -0.148 0.000 0.979 75 F CB 1.799 40.311 39.000 -0.814 0.000 1.137 75 F HN 0.264 nan 8.300 nan 0.000 0.463 76 V N 7.268 126.611 119.914 -0.953 0.000 3.023 76 V HA 0.395 4.476 4.120 -0.065 0.000 0.294 76 V C -1.429 174.242 176.094 -0.706 0.000 1.324 76 V CA -0.895 61.073 62.300 -0.554 0.000 0.979 76 V CB 2.264 34.027 31.823 -0.100 0.000 1.093 76 V HN 0.756 nan 8.190 nan 0.000 0.434 77 M N 5.919 125.305 119.600 -0.357 0.000 2.216 77 M HA 0.598 5.039 4.480 -0.065 0.000 0.356 77 M C -0.245 176.017 176.300 -0.064 0.000 1.205 77 M CA -0.249 54.927 55.300 -0.206 0.000 1.122 77 M CB 1.095 33.714 32.600 0.032 0.000 1.571 77 M HN 0.690 nan 8.290 nan 0.000 0.464 78 V N 0.260 120.127 119.914 -0.079 0.000 3.126 78 V HA 0.600 4.681 4.120 -0.065 0.000 0.314 78 V C 0.265 176.330 176.094 -0.049 0.000 1.138 78 V CA -0.756 61.502 62.300 -0.070 0.000 1.034 78 V CB 1.993 33.760 31.823 -0.094 0.000 1.075 78 V HN 0.856 nan 8.190 nan 0.000 0.442 79 D N -0.067 120.301 120.400 -0.054 0.000 2.392 79 D HA 0.100 4.701 4.640 -0.065 0.000 0.206 79 D C 0.590 176.860 176.300 -0.051 0.000 1.046 79 D CA 0.241 54.228 54.000 -0.023 0.000 0.865 79 D CB 0.634 41.446 40.800 0.020 0.000 0.969 79 D HN 0.862 nan 8.370 nan 0.000 0.509 80 R N -0.937 119.508 120.500 -0.092 0.000 2.734 80 R HA 0.545 4.846 4.340 -0.065 0.000 0.271 80 R C -1.256 174.910 176.300 -0.223 0.000 1.021 80 R CA -0.941 55.079 56.100 -0.134 0.000 0.893 80 R CB 1.356 31.604 30.300 -0.087 0.000 1.244 80 R HN -0.280 nan 8.270 nan 0.000 0.464 81 R N 0.881 121.167 120.500 -0.356 0.000 2.254 81 R HA 0.275 4.576 4.340 -0.065 0.000 0.318 81 R C -1.226 174.961 176.300 -0.189 0.000 1.031 81 R CA -0.408 55.388 56.100 -0.508 0.000 0.905 81 R CB 1.074 30.922 30.300 -0.752 0.000 1.050 81 R HN 0.631 nan 8.270 nan 0.000 0.456 82 D N 0.215 120.587 120.400 -0.046 0.000 2.934 82 D HA 0.075 4.676 4.640 -0.065 0.000 0.230 82 D C 0.701 176.979 176.300 -0.038 0.000 1.204 82 D CA -0.477 53.489 54.000 -0.057 0.000 0.873 82 D CB 1.671 42.460 40.800 -0.018 0.000 1.645 82 D HN 0.489 nan 8.370 nan 0.000 0.502 83 T N 0.463 114.908 114.554 -0.182 0.000 3.055 83 T HA -0.026 4.284 4.350 -0.065 0.000 0.265 83 T C 1.202 175.894 174.700 -0.014 0.000 1.111 83 T CA 0.586 62.578 62.100 -0.180 0.000 1.118 83 T CB -0.180 68.447 68.868 -0.402 0.000 0.909 83 T HN 0.287 nan 8.240 nan 0.000 0.501 84 F N 1.810 121.681 119.950 -0.132 0.000 2.693 84 F HA 0.508 4.996 4.527 -0.065 0.000 0.303 84 F C 1.977 177.764 175.800 -0.022 0.000 1.097 84 F CA -1.296 56.654 58.000 -0.083 0.000 1.330 84 F CB -0.617 38.337 39.000 -0.076 0.000 1.067 84 F HN 0.397 nan 8.300 nan 0.000 0.565 85 G N 0.504 109.395 108.800 0.152 0.000 2.160 85 G HA2 -0.275 3.646 3.960 -0.065 0.000 0.251 85 G HA3 -0.275 3.646 3.960 -0.065 0.000 0.251 85 G C 0.239 175.173 174.900 0.057 0.000 1.008 85 G CA 0.395 45.552 45.100 0.095 0.000 0.724 85 G HN 0.257 nan 8.290 nan 0.000 0.514 86 S N 1.489 117.226 115.700 0.061 0.000 2.399 86 S HA 0.602 5.033 4.470 -0.065 0.000 0.301 86 S C 0.101 174.616 174.600 -0.141 0.000 1.093 86 S CA -0.135 58.053 58.200 -0.019 0.000 1.077 86 S CB 1.266 64.510 63.200 0.074 0.000 0.980 86 S HN 0.828 nan 8.310 nan 0.000 0.494 87 Q N 2.350 121.954 119.800 -0.326 0.000 2.472 87 Q HA 0.305 4.606 4.340 -0.065 0.000 0.281 87 Q C -1.536 174.055 176.000 -0.682 0.000 0.997 87 Q CA -0.820 54.735 55.803 -0.414 0.000 0.828 87 Q CB 0.623 29.169 28.738 -0.319 0.000 1.443 87 Q HN 0.572 nan 8.270 nan 0.000 0.390 88 H N 1.714 120.579 119.070 -0.341 0.000 2.690 88 H HA 0.263 4.781 4.556 -0.064 0.000 0.314 88 H C -0.679 174.418 175.328 -0.385 0.000 1.069 88 H CA 0.117 55.972 56.048 -0.321 0.000 1.436 88 H CB 0.289 29.965 29.762 -0.143 0.000 1.462 88 H HN 0.450 nan 8.280 nan 0.000 0.511 89 Y N 2.579 122.779 120.300 -0.167 0.000 2.336 89 Y HA 0.076 4.588 4.550 -0.064 0.000 0.335 89 Y C 1.257 177.138 175.900 -0.033 0.000 1.046 89 Y CA -0.422 57.579 58.100 -0.164 0.000 1.198 89 Y CB 0.896 39.147 38.460 -0.348 0.000 1.182 89 Y HN 0.477 nan 8.280 nan 0.000 0.502 90 L N 2.324 123.641 121.223 0.156 0.000 2.766 90 L HA 0.222 4.523 4.340 -0.065 0.000 0.242 90 L C 0.390 177.366 176.870 0.176 0.000 1.136 90 L CA 0.021 54.946 54.840 0.142 0.000 0.933 90 L CB 0.196 42.316 42.059 0.101 0.000 1.241 90 L HN 0.649 nan 8.230 nan 0.000 0.522 91 S N -2.366 113.457 115.700 0.206 0.000 2.661 91 S HA 0.447 4.878 4.470 -0.065 0.000 0.285 91 S C -0.836 173.912 174.600 0.247 0.000 1.138 91 S CA -0.955 57.392 58.200 0.246 0.000 0.855 91 S CB 2.299 65.674 63.200 0.293 0.000 1.136 91 S HN -0.064 nan 8.310 nan 0.000 0.484 92 D N 0.830 121.381 120.400 0.253 0.000 2.362 92 D HA 0.270 4.871 4.640 -0.065 0.000 0.238 92 D C 0.002 176.384 176.300 0.136 0.000 1.212 92 D CA -0.073 54.008 54.000 0.135 0.000 0.902 92 D CB 0.547 41.350 40.800 0.005 0.000 1.180 92 D HN 0.388 nan 8.370 nan 0.000 0.445 93 V N 1.379 121.298 119.914 0.009 0.000 2.498 93 V HA 0.131 4.212 4.120 -0.065 0.000 0.279 93 V C -0.463 175.605 176.094 -0.043 0.000 1.048 93 V CA -0.104 62.223 62.300 0.045 0.000 0.967 93 V CB 0.121 31.948 31.823 0.008 0.000 0.988 93 V HN 0.342 nan 8.190 nan 0.000 0.473 94 Y N 4.566 124.988 120.300 0.203 0.000 2.509 94 Y HA 0.737 5.248 4.550 -0.065 0.000 0.341 94 Y C -0.004 176.172 175.900 0.460 0.000 1.038 94 Y CA -0.763 57.514 58.100 0.294 0.000 1.089 94 Y CB 1.884 40.487 38.460 0.238 0.000 1.241 94 Y HN 0.373 nan 8.280 nan 0.000 0.468 95 L N 3.198 124.805 121.223 0.641 0.000 2.388 95 L HA 0.737 5.038 4.340 -0.065 0.000 0.264 95 L C -0.978 176.041 176.870 0.247 0.000 0.998 95 L CA -1.065 54.052 54.840 0.461 0.000 0.817 95 L CB 2.722 44.897 42.059 0.193 0.000 1.338 95 L HN 0.671 nan 8.230 nan 0.000 0.414 96 R N 1.290 121.690 120.500 -0.166 0.000 2.698 96 R HA 0.720 5.021 4.340 -0.065 0.000 0.275 96 R C -1.333 174.776 176.300 -0.318 0.000 1.001 96 R CA -0.822 55.015 56.100 -0.438 0.000 0.896 96 R CB 2.310 31.956 30.300 -1.090 0.000 1.218 96 R HN 0.456 nan 8.270 nan 0.000 0.462 101 D N -0.202 120.112 120.400 -0.143 0.000 2.341 101 D HA 0.330 4.931 4.640 -0.065 0.000 0.245 101 D C -0.143 176.112 176.300 -0.074 0.000 1.106 101 D CA 0.352 54.301 54.000 -0.085 0.000 0.905 101 D CB 0.854 41.663 40.800 0.015 0.000 1.202 101 D HN 0.331 nan 8.370 nan 0.000 0.426 102 W N 0.941 122.265 121.300 0.040 0.000 2.190 102 W HA 0.233 4.851 4.660 -0.070 0.000 0.330 102 W C 0.743 177.371 176.519 0.182 0.000 1.299 102 W CA -0.257 57.151 57.345 0.106 0.000 1.215 102 W CB 0.554 30.052 29.460 0.063 0.000 1.147 102 W HN 0.050 nan 8.180 nan 0.000 0.563 103 Q N 1.600 121.692 119.800 0.487 0.000 2.423 103 Q HA 0.416 4.717 4.340 -0.065 0.000 0.278 103 Q C -1.271 174.880 176.000 0.252 0.000 1.097 103 Q CA -0.995 55.009 55.803 0.335 0.000 0.809 103 Q CB 2.490 31.329 28.738 0.168 0.000 1.391 103 Q HN 0.473 nan 8.270 nan 0.000 0.428 104 C N 3.410 122.744 119.300 0.057 0.000 2.288 104 C HA 0.514 4.935 4.460 -0.065 0.000 0.328 104 C C -2.219 172.723 174.990 -0.079 0.000 1.071 104 C CA -1.795 57.077 59.018 -0.243 0.000 1.594 104 C CB -1.054 26.401 27.740 -0.475 0.000 1.700 104 C HN 0.565 nan 8.230 nan 0.000 0.436 105 P HA 0.242 nan 4.420 nan 0.000 0.272 105 P C -0.097 177.202 177.300 -0.002 0.000 1.223 105 P CA 0.078 63.175 63.100 -0.004 0.000 0.784 105 P CB 0.620 32.319 31.700 -0.001 0.000 0.923 106 D N 0.410 120.825 120.400 0.026 0.000 2.346 106 D HA -0.072 4.529 4.640 -0.065 0.000 0.236 106 D C 1.149 177.504 176.300 0.090 0.000 1.259 106 D CA -0.087 53.952 54.000 0.066 0.000 0.898 106 D CB 0.159 41.005 40.800 0.077 0.000 1.178 106 D HN 0.272 nan 8.370 nan 0.000 0.457 107 F N 1.243 121.188 119.950 -0.009 0.000 2.024 107 F HA -0.308 4.186 4.527 -0.054 0.000 0.296 107 F C 2.131 177.942 175.800 0.018 0.000 1.137 107 F CA 2.056 60.051 58.000 -0.009 0.000 1.200 107 F CB -0.175 38.814 39.000 -0.017 0.000 0.954 107 F HN 0.420 nan 8.300 nan 0.000 0.497 108 E N 0.337 120.531 120.200 -0.010 0.000 2.023 108 E HA -0.225 4.086 4.350 -0.065 0.000 0.196 108 E C -0.053 176.540 176.600 -0.012 0.000 1.003 108 E CA 1.631 57.996 56.400 -0.059 0.000 0.809 108 E CB -1.930 27.840 29.700 0.116 0.000 0.755 108 E HN 0.341 nan 8.360 nan 0.000 0.449 109 P HA -0.229 nan 4.420 nan 0.000 0.219 109 P C 1.683 178.960 177.300 -0.039 0.000 1.158 109 P CA 1.189 64.287 63.100 -0.002 0.000 0.895 109 P CB -0.140 31.565 31.700 0.008 0.000 0.792 110 L N -0.865 120.312 121.223 -0.077 0.000 2.056 110 L HA -0.107 4.193 4.340 -0.065 0.000 0.207 110 L C 2.233 179.023 176.870 -0.134 0.000 1.078 110 L CA 1.786 56.567 54.840 -0.098 0.000 0.749 110 L CB -1.232 40.765 42.059 -0.102 0.000 0.901 110 L HN -0.190 nan 8.230 nan 0.000 0.433 111 V N 0.261 120.034 119.914 -0.235 0.000 2.261 111 V HA -0.288 3.793 4.120 -0.065 0.000 0.246 111 V C 2.841 178.953 176.094 0.031 0.000 1.047 111 V CA 1.658 63.850 62.300 -0.180 0.000 1.015 111 V CB -1.486 30.113 31.823 -0.372 0.000 0.642 111 V HN 0.611 nan 8.190 nan 0.000 0.446 112 A N 0.034 122.926 122.820 0.121 0.000 1.869 112 A HA -0.329 3.952 4.320 -0.065 0.000 0.218 112 A C 2.350 179.884 177.584 -0.083 0.000 1.203 112 A CA 2.570 54.587 52.037 -0.034 0.000 0.638 112 A CB -0.644 18.269 19.000 -0.145 0.000 0.831 112 A HN 0.504 nan 8.150 nan 0.000 0.450 113 R N -0.804 119.656 120.500 -0.067 0.000 2.073 113 R HA -0.034 4.267 4.340 -0.065 0.000 0.234 113 R C 2.192 178.452 176.300 -0.065 0.000 1.134 113 R CA 1.572 57.631 56.100 -0.068 0.000 0.952 113 R CB -0.507 29.761 30.300 -0.054 0.000 0.850 113 R HN 0.559 nan 8.270 nan 0.000 0.433 114 L N 0.164 121.353 121.223 -0.056 0.000 2.079 114 L HA -0.211 4.090 4.340 -0.065 0.000 0.210 114 L C 2.273 179.102 176.870 -0.068 0.000 1.081 114 L CA 0.699 55.504 54.840 -0.058 0.000 0.752 114 L CB -0.407 41.623 42.059 -0.049 0.000 0.896 114 L HN 0.221 nan 8.230 nan 0.000 0.433 115 L N 0.021 121.219 121.223 -0.043 0.000 2.027 115 L HA -0.112 4.189 4.340 -0.065 0.000 0.206 115 L C 2.689 179.521 176.870 -0.064 0.000 1.074 115 L CA 1.983 56.804 54.840 -0.032 0.000 0.745 115 L CB -0.965 41.118 42.059 0.041 0.000 0.898 115 L HN 0.155 nan 8.230 nan 0.000 0.433 116 A N -0.208 122.567 122.820 -0.074 0.000 1.869 116 A HA -0.290 3.991 4.320 -0.065 0.000 0.218 116 A C 2.492 180.032 177.584 -0.074 0.000 1.203 116 A CA 2.722 54.712 52.037 -0.077 0.000 0.638 116 A CB -1.445 17.501 19.000 -0.090 0.000 0.831 116 A HN 0.590 nan 8.150 nan 0.000 0.450 117 A N -1.240 121.524 122.820 -0.095 0.000 1.927 117 A HA -0.264 4.017 4.320 -0.065 0.000 0.220 117 A C 2.328 179.819 177.584 -0.155 0.000 1.185 117 A CA 2.019 53.987 52.037 -0.115 0.000 0.639 117 A CB -1.428 17.498 19.000 -0.124 0.000 0.820 117 A HN 0.686 nan 8.150 nan 0.000 0.451 118 C N -0.976 118.187 119.300 -0.229 0.000 2.432 118 C HA -0.021 4.400 4.460 -0.065 0.000 0.280 118 C C 2.577 177.420 174.990 -0.244 0.000 1.353 118 C CA 0.978 59.741 59.018 -0.425 0.000 1.766 118 C CB -1.295 26.185 27.740 -0.432 0.000 1.924 118 C HN 0.687 nan 8.230 nan 0.000 0.509 119 E N -0.336 119.799 120.200 -0.107 0.000 2.107 119 E HA -0.214 4.097 4.350 -0.065 0.000 0.191 119 E C 1.806 178.395 176.600 -0.019 0.000 0.982 119 E CA 1.172 57.546 56.400 -0.043 0.000 0.809 119 E CB -0.204 29.480 29.700 -0.027 0.000 0.756 119 E HN 0.780 nan 8.360 nan 0.000 0.459 120 H N 0.781 119.798 119.070 -0.088 0.000 2.299 120 H HA -0.041 4.466 4.556 -0.082 0.000 0.302 120 H C 1.942 177.242 175.328 -0.046 0.000 1.078 120 H CA 1.693 57.701 56.048 -0.066 0.000 1.323 120 H CB -0.031 29.683 29.762 -0.080 0.000 1.381 120 H HN 0.044 nan 8.280 nan 0.000 0.498 121 I N 0.244 120.823 120.570 0.016 0.000 2.335 121 I HA -0.264 3.867 4.170 -0.065 0.000 0.251 121 I C 2.447 178.596 176.117 0.053 0.000 1.129 121 I CA 1.141 62.465 61.300 0.039 0.000 1.402 121 I CB -0.337 37.675 38.000 0.019 0.000 1.069 121 I HN 0.452 nan 8.210 nan 0.000 0.424 122 A N -0.137 122.698 122.820 0.025 0.000 2.044 122 A HA 0.311 4.592 4.320 -0.065 0.000 0.213 122 A C 2.057 179.648 177.584 0.012 0.000 1.169 122 A CA 0.913 53.004 52.037 0.089 0.000 0.724 122 A CB -0.302 18.771 19.000 0.121 0.000 0.840 122 A HN 0.506 nan 8.150 nan 0.000 0.463 123 G N -1.215 107.551 108.800 -0.058 0.000 2.179 123 G HA2 -0.259 3.662 3.960 -0.065 0.000 0.260 123 G HA3 -0.259 3.662 3.960 -0.065 0.000 0.260 123 G C 0.364 175.241 174.900 -0.039 0.000 0.977 123 G CA 0.578 45.631 45.100 -0.078 0.000 0.641 123 G HN 0.649 nan 8.290 nan 0.000 0.533 124 R N -0.449 120.042 120.500 -0.015 0.000 2.854 124 R HA 0.672 4.973 4.340 -0.065 0.000 0.271 124 R C -0.455 175.844 176.300 -0.001 0.000 0.994 124 R CA -0.878 55.219 56.100 -0.004 0.000 0.945 124 R CB 1.562 31.866 30.300 0.007 0.000 1.194 124 R HN 0.127 nan 8.270 nan 0.000 0.476 125 K N 0.815 121.214 120.400 -0.001 0.000 2.221 125 K HA 0.314 4.595 4.320 -0.065 0.000 0.243 125 K C -0.642 175.964 176.600 0.011 0.000 0.968 125 K CA -0.803 55.484 56.287 0.000 0.000 0.846 125 K CB 1.326 33.822 32.500 -0.007 0.000 1.141 125 K HN 0.310 nan 8.250 nan 0.000 0.434 126 N N 2.245 120.956 118.700 0.018 0.000 2.442 126 N HA 0.219 4.920 4.740 -0.065 0.000 0.274 126 N C -2.004 173.528 175.510 0.037 0.000 1.002 126 N CA -1.875 51.192 53.050 0.028 0.000 0.910 126 N CB 1.522 40.029 38.487 0.035 0.000 1.244 126 N HN 0.329 nan 8.380 nan 0.000 0.492 127 P HA -0.066 nan 4.420 nan 0.000 0.217 127 P C 0.537 177.876 177.300 0.065 0.000 1.150 127 P CA 1.233 64.357 63.100 0.040 0.000 0.832 127 P CB 0.755 32.473 31.700 0.030 0.000 0.787 128 E N -1.115 119.120 120.200 0.059 0.000 2.250 128 E HA -0.031 4.280 4.350 -0.065 0.000 0.192 128 E C 1.971 178.615 176.600 0.074 0.000 0.986 128 E CA -0.045 56.392 56.400 0.062 0.000 0.849 128 E CB -0.357 29.368 29.700 0.042 0.000 0.797 128 E HN 0.018 nan 8.360 nan 0.000 0.482 129 L N 0.728 121.997 121.223 0.078 0.000 1.989 129 L HA -0.237 4.064 4.340 -0.065 0.000 0.211 129 L C 2.136 179.065 176.870 0.099 0.000 1.071 129 L CA 1.837 56.724 54.840 0.077 0.000 0.749 129 L CB -0.890 41.211 42.059 0.071 0.000 0.890 129 L HN 0.155 nan 8.230 nan 0.000 0.431 130 Y N 0.717 121.022 120.300 0.009 0.000 2.062 130 Y HA -0.315 4.186 4.550 -0.081 0.000 0.276 130 Y C 2.539 178.453 175.900 0.023 0.000 1.189 130 Y CA 2.417 60.519 58.100 0.004 0.000 1.130 130 Y CB -0.236 38.220 38.460 -0.006 0.000 0.959 130 Y HN 0.332 nan 8.280 nan 0.000 0.499 131 E N -0.084 120.130 120.200 0.022 0.000 2.268 131 E HA -0.196 4.115 4.350 -0.065 0.000 0.195 131 E C 2.112 178.685 176.600 -0.046 0.000 0.995 131 E CA 1.029 57.403 56.400 -0.044 0.000 0.836 131 E CB -0.166 29.563 29.700 0.049 0.000 0.763 131 E HN 0.701 nan 8.360 nan 0.000 0.491 132 Q N -0.016 119.775 119.800 -0.014 0.000 2.123 132 Q HA -0.035 4.265 4.340 -0.065 0.000 0.199 132 Q C 2.316 178.318 176.000 0.004 0.000 0.966 132 Q CA 0.691 56.498 55.803 0.007 0.000 0.845 132 Q CB 0.041 28.798 28.738 0.032 0.000 0.907 132 Q HN 0.290 nan 8.270 nan 0.000 0.439 133 I N 0.656 121.207 120.570 -0.032 0.000 2.179 133 I HA -0.312 3.819 4.170 -0.065 0.000 0.242 133 I C 2.078 178.208 176.117 0.023 0.000 1.088 133 I CA 1.163 62.459 61.300 -0.007 0.000 1.357 133 I CB -0.307 37.660 38.000 -0.055 0.000 1.051 133 I HN 0.205 nan 8.210 nan 0.000 0.409 134 L N -0.147 121.022 121.223 -0.090 0.000 2.056 134 L HA -0.214 4.087 4.340 -0.065 0.000 0.207 134 L C 2.678 179.570 176.870 0.036 0.000 1.078 134 L CA 1.246 56.085 54.840 -0.002 0.000 0.749 134 L CB -0.874 41.109 42.059 -0.126 0.000 0.901 134 L HN 0.354 nan 8.230 nan 0.000 0.433 135 Q N 0.057 119.866 119.800 0.015 0.000 2.061 135 Q HA -0.256 4.045 4.340 -0.065 0.000 0.204 135 Q C 2.464 178.498 176.000 0.055 0.000 0.984 135 Q CA 2.264 58.090 55.803 0.038 0.000 0.846 135 Q CB -0.067 28.691 28.738 0.033 0.000 0.902 135 Q HN 0.412 nan 8.270 nan 0.000 0.421 136 S N -0.032 115.703 115.700 0.058 0.000 2.359 136 S HA -0.210 4.221 4.470 -0.065 0.000 0.224 136 S C 1.887 176.532 174.600 0.075 0.000 1.035 136 S CA 1.639 59.881 58.200 0.070 0.000 1.018 136 S CB -0.242 63.004 63.200 0.077 0.000 0.876 136 S HN 0.445 nan 8.310 nan 0.000 0.448 137 Q N 0.721 120.566 119.800 0.074 0.000 2.167 137 Q HA -0.056 4.245 4.340 -0.065 0.000 0.202 137 Q C 2.121 178.108 176.000 -0.022 0.000 0.970 137 Q CA 1.136 56.941 55.803 0.004 0.000 0.855 137 Q CB -0.241 28.445 28.738 -0.086 0.000 0.911 137 Q HN 0.562 nan 8.270 nan 0.000 0.438 138 R N -0.059 120.449 120.500 0.013 0.000 2.115 138 R HA -0.096 4.205 4.340 -0.065 0.000 0.230 138 R C 2.351 178.680 176.300 0.049 0.000 1.111 138 R CA 0.676 56.788 56.100 0.019 0.000 0.976 138 R CB -0.289 30.031 30.300 0.032 0.000 0.870 138 R HN 0.186 nan 8.270 nan 0.000 0.445 139 L N 0.764 122.032 121.223 0.075 0.000 2.027 139 L HA -0.115 4.186 4.340 -0.065 0.000 0.206 139 L C 2.222 179.151 176.870 0.099 0.000 1.074 139 L CA 1.442 56.352 54.840 0.117 0.000 0.745 139 L CB -0.471 41.672 42.059 0.140 0.000 0.898 139 L HN -0.142 nan 8.230 nan 0.000 0.433 140 V N -1.282 118.672 119.914 0.067 0.000 2.392 140 V HA -0.316 3.765 4.120 -0.065 0.000 0.249 140 V C 2.769 178.858 176.094 -0.008 0.000 1.059 140 V CA 1.859 64.183 62.300 0.040 0.000 1.051 140 V CB -0.721 31.170 31.823 0.113 0.000 0.658 140 V HN 0.584 nan 8.190 nan 0.000 0.455 141 S N -0.461 115.238 115.700 -0.002 0.000 2.356 141 S HA -0.186 4.245 4.470 -0.065 0.000 0.223 141 S C 2.184 176.780 174.600 -0.007 0.000 1.032 141 S CA 1.586 59.773 58.200 -0.022 0.000 1.005 141 S CB -0.351 62.832 63.200 -0.029 0.000 0.867 141 S HN 0.634 nan 8.310 nan 0.000 0.449 142 A N 1.219 124.071 122.820 0.055 0.000 1.908 142 A HA -0.056 4.225 4.320 -0.065 0.000 0.218 142 A C 2.108 179.747 177.584 0.092 0.000 1.181 142 A CA 1.645 53.767 52.037 0.142 0.000 0.627 142 A CB -0.808 18.340 19.000 0.248 0.000 0.818 142 A HN 0.615 nan 8.150 nan 0.000 0.445 143 I N -0.657 119.886 120.570 -0.045 0.000 2.113 143 I HA -0.225 3.906 4.170 -0.065 0.000 0.238 143 I C 2.408 178.239 176.117 -0.476 0.000 1.070 143 I CA 1.330 62.412 61.300 -0.363 0.000 1.332 143 I CB -0.374 37.468 38.000 -0.264 0.000 1.044 143 I HN 0.165 nan 8.210 nan 0.000 0.402 144 V N -0.079 119.594 119.914 -0.401 0.000 2.282 144 V HA -0.354 3.727 4.120 -0.065 0.000 0.249 144 V C 2.594 178.492 176.094 -0.326 0.000 1.057 144 V CA 2.345 64.385 62.300 -0.434 0.000 1.032 144 V CB -0.748 30.941 31.823 -0.224 0.000 0.645 144 V HN 0.482 nan 8.190 nan 0.000 0.447 145 S N -0.932 114.656 115.700 -0.187 0.000 2.356 145 S HA -0.300 4.131 4.470 -0.065 0.000 0.223 145 S C 2.091 176.614 174.600 -0.128 0.000 1.032 145 S CA 2.133 60.263 58.200 -0.117 0.000 1.005 145 S CB -0.432 62.748 63.200 -0.033 0.000 0.867 145 S HN 0.842 nan 8.310 nan 0.000 0.449 146 H N 1.427 120.371 119.070 -0.211 0.000 2.353 146 H HA 0.108 4.624 4.556 -0.065 0.000 0.300 146 H C 1.671 176.826 175.328 -0.289 0.000 1.090 146 H CA 2.163 58.081 56.048 -0.215 0.000 1.327 146 H CB -0.174 29.404 29.762 -0.307 0.000 1.383 146 H HN 0.375 nan 8.280 nan 0.000 0.508 147 N N -0.364 118.009 118.700 -0.545 0.000 2.236 147 N HA 0.037 4.738 4.740 -0.065 0.000 0.196 147 N C 1.544 176.769 175.510 -0.475 0.000 1.114 147 N CA 0.655 53.335 53.050 -0.617 0.000 0.859 147 N CB 0.480 38.350 38.487 -1.028 0.000 0.982 147 N HN 0.479 nan 8.380 nan 0.000 0.493 148 G N 0.457 109.031 108.800 -0.377 0.000 2.625 148 G HA2 -0.158 3.762 3.960 -0.065 0.000 0.214 148 G HA3 -0.158 3.762 3.960 -0.065 0.000 0.214 148 G C 1.636 176.433 174.900 -0.172 0.000 1.132 148 G CA 0.149 45.093 45.100 -0.259 0.000 0.782 148 G HN 0.238 nan 8.290 nan 0.000 0.538 149 R N -0.498 119.899 120.500 -0.172 0.000 2.265 149 R HA 0.125 4.426 4.340 -0.065 0.000 0.194 149 R C 0.649 176.902 176.300 -0.078 0.000 0.931 149 R CA -0.130 55.903 56.100 -0.111 0.000 1.032 149 R CB 0.220 30.455 30.300 -0.108 0.000 0.980 149 R HN 0.475 nan 8.270 nan 0.000 0.497 150 Q N 1.179 120.930 119.800 -0.080 0.000 2.421 150 Q HA 0.074 4.374 4.340 -0.065 0.000 0.255 150 Q C -0.268 175.735 176.000 0.005 0.000 1.013 150 Q CA -0.290 55.501 55.803 -0.021 0.000 0.895 150 Q CB 0.636 29.387 28.738 0.021 0.000 1.271 150 Q HN -0.013 nan 8.270 nan 0.000 0.460 151 R N 0.586 121.099 120.500 0.023 0.000 2.537 151 R HA -0.063 4.237 4.340 -0.065 0.000 0.281 151 R C 0.698 177.033 176.300 0.059 0.000 0.988 151 R CA 0.739 56.857 56.100 0.031 0.000 1.077 151 R CB 0.238 30.556 30.300 0.030 0.000 0.932 151 R HN 0.839 nan 8.270 nan 0.000 0.409 152 A N 3.627 126.482 122.820 0.058 0.000 2.019 152 A HA -0.159 4.122 4.320 -0.065 0.000 0.219 152 A C 1.020 178.678 177.584 0.124 0.000 1.164 152 A CA 1.681 53.776 52.037 0.097 0.000 0.644 152 A CB -0.257 18.791 19.000 0.082 0.000 0.805 152 A HN 0.924 nan 8.150 nan 0.000 0.449 153 D N -1.229 119.221 120.400 0.083 0.000 2.424 153 D HA 0.410 5.011 4.640 -0.065 0.000 0.220 153 D C 1.189 177.521 176.300 0.053 0.000 1.150 153 D CA 0.544 54.583 54.000 0.066 0.000 0.831 153 D CB -0.288 40.552 40.800 0.066 0.000 0.981 153 D HN 0.224 nan 8.370 nan 0.000 0.500 154 A N 1.444 124.307 122.820 0.071 0.000 2.024 154 A HA -0.058 4.223 4.320 -0.065 0.000 0.220 154 A C -0.174 177.429 177.584 0.031 0.000 1.164 154 A CA 0.908 52.985 52.037 0.066 0.000 0.643 154 A CB -1.252 17.808 19.000 0.099 0.000 0.806 154 A HN 0.265 nan 8.150 nan 0.000 0.451 155 P HA -0.088 nan 4.420 nan 0.000 0.222 155 P C 0.765 177.980 177.300 -0.142 0.000 1.147 155 P CA 0.788 63.799 63.100 -0.148 0.000 0.790 155 P CB -0.098 31.402 31.700 -0.332 0.000 0.780 156 L N -1.087 120.068 121.223 -0.112 0.000 2.629 156 L HA 0.116 4.417 4.340 -0.065 0.000 0.230 156 L C 1.526 178.398 176.870 0.003 0.000 1.151 156 L CA 0.230 54.988 54.840 -0.137 0.000 0.924 156 L CB -0.478 41.400 42.059 -0.302 0.000 1.137 156 L HN -0.050 nan 8.230 nan 0.000 0.457 157 Q N -0.797 118.970 119.800 -0.055 0.000 2.356 157 Q HA 0.249 4.550 4.340 -0.065 0.000 0.205 157 Q C 0.012 175.664 176.000 -0.579 0.000 0.901 157 Q CA 0.561 56.230 55.803 -0.223 0.000 0.938 157 Q CB 0.796 29.363 28.738 -0.285 0.000 1.081 157 Q HN 0.498 nan 8.270 nan 0.000 0.517 158 H N -1.747 117.380 119.070 0.094 0.000 3.079 158 H HA 0.033 4.549 4.556 -0.065 0.000 0.356 158 H C -0.234 175.118 175.328 0.040 0.000 1.221 158 H CA -0.698 55.404 56.048 0.091 0.000 1.185 158 H CB 0.599 30.400 29.762 0.066 0.000 1.882 158 H HN -0.075 nan 8.280 nan 0.000 0.543 159 Y N 1.823 122.190 120.300 0.111 0.000 2.114 159 Y HA -0.284 4.227 4.550 -0.065 0.000 0.282 159 Y C 2.016 177.855 175.900 -0.103 0.000 1.165 159 Y CA 2.191 60.297 58.100 0.008 0.000 1.148 159 Y CB 0.078 38.540 38.460 0.002 0.000 0.972 159 Y HN 0.492 nan 8.280 nan 0.000 0.504 160 L N 0.700 121.685 121.223 -0.396 0.000 2.027 160 L HA -0.170 4.131 4.340 -0.065 0.000 0.206 160 L C 2.078 178.745 176.870 -0.340 0.000 1.074 160 L CA 1.790 56.314 54.840 -0.526 0.000 0.745 160 L CB -0.941 40.972 42.059 -0.242 0.000 0.898 160 L HN 0.216 nan 8.230 nan 0.000 0.433 161 Q N -0.280 119.423 119.800 -0.162 0.000 2.234 161 Q HA -0.152 4.149 4.340 -0.065 0.000 0.206 161 Q C 2.461 178.307 176.000 -0.256 0.000 0.980 161 Q CA 1.633 57.359 55.803 -0.128 0.000 0.869 161 Q CB -0.626 28.123 28.738 0.018 0.000 0.912 161 Q HN 0.791 nan 8.270 nan 0.000 0.436 162 S N -0.298 115.219 115.700 -0.305 0.000 2.414 162 S HA -0.073 4.358 4.470 -0.065 0.000 0.227 162 S C 1.620 175.983 174.600 -0.396 0.000 1.022 162 S CA 0.544 58.533 58.200 -0.352 0.000 0.958 162 S CB -0.054 62.978 63.200 -0.281 0.000 0.797 162 S HN 0.202 nan 8.310 nan 0.000 0.493 163 E N 1.649 121.566 120.200 -0.471 0.000 2.150 163 E HA -0.092 4.219 4.350 -0.065 0.000 0.193 163 E C 2.008 178.444 176.600 -0.273 0.000 0.985 163 E CA 1.040 57.225 56.400 -0.357 0.000 0.814 163 E CB -0.298 29.170 29.700 -0.386 0.000 0.752 163 E HN 0.742 nan 8.360 nan 0.000 0.466 164 Q N -0.716 118.914 119.800 -0.283 0.000 2.403 164 Q HA 0.074 4.374 4.340 -0.065 0.000 0.203 164 Q C 1.310 177.053 176.000 -0.428 0.000 0.932 164 Q CA 0.544 56.215 55.803 -0.219 0.000 0.945 164 Q CB 0.588 29.258 28.738 -0.113 0.000 1.045 164 Q HN 0.122 nan 8.270 nan 0.000 0.511 165 G N 0.129 108.526 108.800 -0.671 0.000 3.575 165 G HA2 0.124 4.045 3.960 -0.065 0.000 0.273 165 G HA3 0.124 4.045 3.960 -0.065 0.000 0.273 165 G C -0.087 174.088 174.900 -1.208 0.000 1.053 165 G CA -0.266 43.995 45.100 -1.398 0.000 0.803 165 G HN 0.122 nan 8.290 nan 0.000 0.528 166 L N 1.240 122.090 121.223 -0.621 0.000 2.437 166 L HA 0.396 4.697 4.340 -0.065 0.000 0.243 166 L C 1.143 177.865 176.870 -0.246 0.000 1.346 166 L CA -1.045 53.576 54.840 -0.365 0.000 1.233 166 L CB -0.964 40.983 42.059 -0.188 0.000 1.436 166 L HN 0.404 nan 8.230 nan 0.000 0.416 167 W N 1.246 122.364 121.300 -0.304 0.000 2.305 167 W HA -0.271 4.348 4.660 -0.068 0.000 0.308 167 W C 1.205 177.402 176.519 -0.537 0.000 1.226 167 W CA 0.469 57.467 57.345 -0.578 0.000 1.253 167 W CB -0.376 28.416 29.460 -1.113 0.000 1.146 167 W HN 0.416 nan 8.180 nan 0.000 0.507 168 F N -0.285 119.793 119.950 0.213 0.000 2.695 168 F HA 0.414 4.901 4.527 -0.066 0.000 0.303 168 F C 1.747 177.598 175.800 0.085 0.000 1.091 168 F CA 0.248 58.331 58.000 0.140 0.000 1.300 168 F CB -0.629 38.455 39.000 0.140 0.000 1.071 168 F HN -0.039 nan 8.300 nan 0.000 0.578 169 G N 0.286 109.181 108.800 0.158 0.000 2.575 169 G HA2 -0.323 3.598 3.960 -0.065 0.000 0.267 169 G HA3 -0.323 3.598 3.960 -0.065 0.000 0.267 169 G C -0.139 174.833 174.900 0.120 0.000 1.264 169 G CA -0.117 45.035 45.100 0.087 0.000 0.935 169 G HN 0.453 nan 8.290 nan 0.000 0.568 170 H N 2.647 121.709 119.070 -0.012 0.000 3.064 170 H HA 0.182 4.703 4.556 -0.059 0.000 0.329 170 H C -1.048 174.334 175.328 0.090 0.000 1.020 170 H CA 0.034 56.092 56.048 0.018 0.000 1.402 170 H CB 1.230 30.989 29.762 -0.005 0.000 1.379 170 H HN 0.238 nan 8.280 nan 0.000 0.594 171 P HA 0.116 nan 4.420 nan 0.000 0.261 171 P C -0.349 177.139 177.300 0.313 0.000 1.268 171 P CA 0.120 63.356 63.100 0.227 0.000 0.833 171 P CB 0.671 32.433 31.700 0.104 0.000 1.231 172 S N 0.257 116.280 115.700 0.539 0.000 2.128 172 S HA 0.297 4.728 4.470 -0.065 0.000 0.157 172 S C -0.891 173.837 174.600 0.214 0.000 1.650 172 S CA -0.254 58.154 58.200 0.345 0.000 1.269 172 S CB -0.214 63.172 63.200 0.311 0.000 1.227 172 S HN 0.168 nan 8.310 nan 0.000 0.405 173 H N 1.943 121.053 119.070 0.068 0.000 3.123 173 H HA 0.272 4.794 4.556 -0.055 0.000 0.346 173 H C -2.850 172.491 175.328 0.022 0.000 1.138 173 H CA -1.197 54.810 56.048 -0.069 0.000 1.273 173 H CB 2.477 32.116 29.762 -0.205 0.000 1.926 173 H HN 0.055 nan 8.280 nan 0.000 0.524 174 P HA 0.147 nan 4.420 nan 0.000 0.230 174 P C -0.005 177.431 177.300 0.226 0.000 1.168 174 P CA 0.507 63.707 63.100 0.167 0.000 0.793 174 P CB 0.889 32.626 31.700 0.063 0.000 0.851 175 A N -0.070 122.985 122.820 0.392 0.000 3.453 175 A HA 0.468 4.749 4.320 -0.065 0.000 0.262 175 A C -2.137 175.451 177.584 0.005 0.000 1.026 175 A CA -0.829 51.328 52.037 0.199 0.000 0.938 175 A CB 0.253 19.342 19.000 0.149 0.000 1.246 175 A HN -0.114 nan 8.150 nan 0.000 0.546 176 P HA -0.146 nan 4.420 nan 0.000 0.216 176 P C 1.003 178.200 177.300 -0.171 0.000 1.150 176 P CA 1.407 64.314 63.100 -0.321 0.000 0.837 176 P CB 0.314 31.996 31.700 -0.030 0.000 0.786 177 K N -1.279 119.099 120.400 -0.038 0.000 2.399 177 K HA 0.312 4.593 4.320 -0.065 0.000 0.204 177 K C 0.342 176.949 176.600 0.012 0.000 1.023 177 K CA -0.329 55.963 56.287 0.009 0.000 1.127 177 K CB 0.219 32.759 32.500 0.067 0.000 0.856 177 K HN -0.009 nan 8.250 nan 0.000 0.514 178 A N 2.184 124.997 122.820 -0.013 0.000 2.540 178 A HA 0.040 4.321 4.320 -0.065 0.000 0.264 178 A C -0.182 177.354 177.584 -0.080 0.000 1.080 178 A CA 0.522 52.547 52.037 -0.020 0.000 0.776 178 A CB -0.210 18.789 19.000 -0.002 0.000 1.011 178 A HN 0.245 nan 8.150 nan 0.000 0.514 179 R N 2.424 122.855 120.500 -0.115 0.000 2.510 179 R HA 0.357 4.658 4.340 -0.065 0.000 0.294 179 R C -1.139 174.925 176.300 -0.393 0.000 1.056 179 R CA -0.486 55.414 56.100 -0.334 0.000 0.918 179 R CB 1.627 31.747 30.300 -0.299 0.000 1.187 179 R HN 0.673 nan 8.270 nan 0.000 0.437 180 L N 4.175 125.141 121.223 -0.428 0.000 2.657 180 L HA 0.345 4.646 4.340 -0.065 0.000 0.239 180 L C -0.685 176.059 176.870 -0.210 0.000 1.215 180 L CA -0.585 54.122 54.840 -0.221 0.000 1.161 180 L CB 0.199 42.184 42.059 -0.123 0.000 1.436 180 L HN 0.568 nan 8.230 nan 0.000 0.414 181 W N 2.956 124.270 121.300 0.023 0.000 2.209 181 W HA 0.143 4.767 4.660 -0.061 0.000 0.344 181 W C -1.498 175.027 176.519 0.010 0.000 1.285 181 W CA -1.243 56.110 57.345 0.014 0.000 1.267 181 W CB -0.443 29.050 29.460 0.053 0.000 1.167 181 W HN 0.303 nan 8.180 nan 0.000 0.574 182 P HA 0.039 nan 4.420 nan 0.000 0.269 182 P C -0.414 176.965 177.300 0.133 0.000 1.217 182 P CA -0.144 63.043 63.100 0.144 0.000 0.783 182 P CB 0.313 32.078 31.700 0.109 0.000 0.898 183 A N 3.560 126.460 122.820 0.134 0.000 1.974 183 A HA -0.172 4.109 4.320 -0.065 0.000 0.334 183 A C 1.355 179.100 177.584 0.268 0.000 0.961 183 A CA 1.552 53.700 52.037 0.183 0.000 1.475 183 A CB -1.812 17.300 19.000 0.187 0.000 0.658 183 A HN 0.981 nan 8.150 nan 0.000 0.271 184 H N 0.209 119.344 119.070 0.108 0.000 1.452 184 H HA -0.379 4.138 4.556 -0.065 0.000 0.090 184 H C 0.910 176.316 175.328 0.130 0.000 0.618 184 H CA 1.947 58.054 56.048 0.098 0.000 1.901 184 H CB -1.741 28.063 29.762 0.070 0.000 2.257 184 H HN 1.314 nan 8.280 nan 0.000 0.961 185 L N 1.950 122.250 121.223 -1.540 0.000 4.552 185 L HA -0.317 3.984 4.340 -0.065 0.000 0.443 185 L C 1.341 178.176 176.870 -0.058 0.000 1.104 185 L CA 2.068 56.470 54.840 -0.730 0.000 0.959 185 L CB -1.753 40.086 42.059 -0.367 0.000 1.818 185 L HN 1.575 nan 8.230 nan 0.000 1.030 186 G N -1.797 106.967 108.800 -0.060 0.000 2.758 186 G HA2 -0.167 3.754 3.960 -0.065 0.000 0.686 186 G HA3 -0.167 3.754 3.960 -0.065 0.000 0.686 186 G C -0.235 174.474 174.900 -0.319 0.000 1.389 186 G CA 0.107 45.123 45.100 -0.141 0.000 0.845 186 G HN 0.057 nan 8.290 nan 0.000 0.572 187 Q N -0.170 119.404 119.800 -0.377 0.000 2.612 187 Q HA 0.147 4.448 4.340 -0.065 0.000 0.193 187 Q C 2.567 178.285 176.000 -0.470 0.000 0.828 187 Q CA 1.011 56.570 55.803 -0.407 0.000 0.851 187 Q CB -0.253 28.404 28.738 -0.136 0.000 1.178 187 Q HN 0.814 nan 8.270 nan 0.000 0.634 188 E N 1.124 120.992 120.200 -0.554 0.000 2.219 188 E HA -0.243 4.068 4.350 -0.065 0.000 0.198 188 E C 1.744 178.001 176.600 -0.572 0.000 0.998 188 E CA 1.184 57.141 56.400 -0.737 0.000 0.818 188 E CB 0.037 29.112 29.700 -1.043 0.000 0.741 188 E HN 0.274 nan 8.360 nan 0.000 0.477 189 Q N -0.842 118.499 119.800 -0.764 0.000 2.369 189 Q HA -0.115 4.186 4.340 -0.065 0.000 0.206 189 Q C 0.873 176.252 176.000 -1.035 0.000 0.963 189 Q CA 1.098 56.306 55.803 -0.992 0.000 0.894 189 Q CB -0.125 27.782 28.738 -1.385 0.000 0.965 189 Q HN 0.507 nan 8.270 nan 0.000 0.475 190 W N -0.576 120.590 121.300 -0.223 0.000 3.008 190 W HA 0.548 5.168 4.660 -0.066 0.000 0.355 190 W C 0.055 176.554 176.519 -0.033 0.000 1.095 190 W CA -0.539 56.708 57.345 -0.164 0.000 1.738 190 W CB 0.590 29.837 29.460 -0.355 0.000 1.091 190 W HN -0.161 nan 8.180 nan 0.000 0.574 191 A N 1.881 124.776 122.820 0.126 0.000 2.320 191 A HA 0.352 4.633 4.320 -0.065 0.000 0.287 191 A C -1.510 176.188 177.584 0.190 0.000 1.181 191 A CA -1.247 50.931 52.037 0.235 0.000 0.831 191 A CB 0.653 19.862 19.000 0.349 0.000 1.102 191 A HN -0.094 nan 8.150 nan 0.000 0.513 192 P HA -0.177 nan 4.420 nan 0.000 0.216 192 P C 0.725 178.085 177.300 0.099 0.000 1.153 192 P CA 1.411 64.554 63.100 0.073 0.000 0.858 192 P CB 0.246 31.956 31.700 0.017 0.000 0.789 193 E N -1.850 118.432 120.200 0.137 0.000 2.338 193 E HA -0.079 4.231 4.350 -0.065 0.000 0.197 193 E C 0.916 177.484 176.600 -0.053 0.000 1.007 193 E CA 0.812 57.290 56.400 0.130 0.000 0.849 193 E CB -0.824 28.932 29.700 0.094 0.000 0.774 193 E HN 0.361 nan 8.360 nan 0.000 0.506 194 F N 0.002 119.966 119.950 0.024 0.000 2.641 194 F HA 0.159 4.646 4.527 -0.067 0.000 0.302 194 F C 0.013 175.791 175.800 -0.036 0.000 1.098 194 F CA -0.322 57.601 58.000 -0.129 0.000 1.318 194 F CB 0.194 39.024 39.000 -0.283 0.000 1.035 194 F HN -0.239 nan 8.300 nan 0.000 0.551 195 Q N -0.535 119.356 119.800 0.151 0.000 2.494 195 Q HA -0.200 4.101 4.340 -0.065 0.000 0.272 195 Q C 0.317 176.371 176.000 0.090 0.000 1.145 195 Q CA 0.680 56.554 55.803 0.119 0.000 0.943 195 Q CB -2.075 26.744 28.738 0.134 0.000 1.338 195 Q HN 0.388 nan 8.270 nan 0.000 0.492 196 A N 0.575 123.443 122.820 0.079 0.000 2.540 196 A HA 0.486 4.767 4.320 -0.065 0.000 0.239 196 A C 0.381 178.020 177.584 0.092 0.000 1.061 196 A CA 0.519 52.578 52.037 0.036 0.000 0.758 196 A CB 0.433 19.440 19.000 0.012 0.000 0.991 196 A HN 0.323 nan 8.150 nan 0.000 0.502 197 R N 0.230 120.787 120.500 0.095 0.000 2.668 197 R HA 0.709 5.010 4.340 -0.065 0.000 0.272 197 R C -1.031 175.381 176.300 0.186 0.000 1.019 197 R CA -0.022 56.180 56.100 0.170 0.000 0.894 197 R CB 2.520 32.879 30.300 0.099 0.000 1.228 197 R HN 1.262 nan 8.270 nan 0.000 0.460 198 A N 0.971 123.957 122.820 0.276 0.000 2.590 198 A HA 0.682 4.963 4.320 -0.065 0.000 0.294 198 A C -1.628 175.992 177.584 0.060 0.000 1.046 198 A CA -0.577 51.575 52.037 0.192 0.000 0.684 198 A CB 1.321 20.546 19.000 0.375 0.000 1.279 198 A HN 0.741 nan 8.150 nan 0.000 0.415 199 A N 1.416 124.227 122.820 -0.015 0.000 2.454 199 A HA 0.572 4.853 4.320 -0.065 0.000 0.260 199 A C 0.214 177.684 177.584 -0.190 0.000 1.106 199 A CA -0.097 51.875 52.037 -0.109 0.000 0.780 199 A CB -0.358 18.581 19.000 -0.102 0.000 1.044 199 A HN 0.892 nan 8.150 nan 0.000 0.498 200 L N 1.963 123.007 121.223 -0.298 0.000 2.452 200 L HA 0.135 4.436 4.340 -0.065 0.000 0.267 200 L C 0.779 177.522 176.870 -0.212 0.000 1.188 200 L CA -0.163 54.448 54.840 -0.381 0.000 0.821 200 L CB 0.389 42.188 42.059 -0.434 0.000 1.102 200 L HN 0.865 nan 8.230 nan 0.000 0.470 201 H N 1.414 120.359 119.070 -0.209 0.000 2.551 201 H HA 0.255 4.772 4.556 -0.065 0.000 0.358 201 H C -0.705 174.514 175.328 -0.181 0.000 1.151 201 H CA -0.066 55.882 56.048 -0.167 0.000 1.374 201 H CB 0.899 30.597 29.762 -0.106 0.000 1.473 201 H HN 0.495 nan 8.280 nan 0.000 0.574 202 Q N 2.593 122.366 119.800 -0.045 0.000 2.397 202 Q HA 0.343 4.644 4.340 -0.065 0.000 0.275 202 Q C -1.486 174.348 176.000 -0.278 0.000 1.090 202 Q CA -0.775 54.977 55.803 -0.086 0.000 0.809 202 Q CB 2.343 31.024 28.738 -0.095 0.000 1.362 202 Q HN 0.467 nan 8.270 nan 0.000 0.431 203 F N 0.317 120.266 119.950 -0.001 0.000 2.563 203 F HA 0.346 4.833 4.527 -0.065 0.000 0.316 203 F C 0.026 175.780 175.800 -0.076 0.000 1.076 203 F CA -0.780 57.204 58.000 -0.027 0.000 0.921 203 F CB 1.870 40.836 39.000 -0.056 0.000 1.209 203 F HN 0.385 nan 8.300 nan 0.000 0.462 204 E N 2.470 122.731 120.200 0.100 0.000 2.156 204 E HA 0.595 4.906 4.350 -0.065 0.000 0.279 204 E C -1.551 175.041 176.600 -0.013 0.000 0.965 204 E CA -0.638 55.780 56.400 0.029 0.000 0.789 204 E CB 1.544 31.240 29.700 -0.008 0.000 1.098 204 E HN 0.544 nan 8.360 nan 0.000 0.397 205 V N 1.738 121.608 119.914 -0.073 0.000 2.876 205 V HA 0.677 4.757 4.120 -0.065 0.000 0.312 205 V C -2.745 173.270 176.094 -0.131 0.000 1.085 205 V CA -2.627 59.472 62.300 -0.335 0.000 0.945 205 V CB 1.528 32.734 31.823 -1.029 0.000 1.017 205 V HN 0.569 nan 8.190 nan 0.000 0.428 206 P HA 0.186 nan 4.420 nan 0.000 0.271 206 P C 0.981 178.253 177.300 -0.047 0.000 1.218 206 P CA 0.202 63.084 63.100 -0.362 0.000 0.780 206 P CB 1.425 33.045 31.700 -0.134 0.000 0.901 207 V N -0.466 119.377 119.914 -0.118 0.000 3.041 207 V HA -0.136 3.945 4.120 -0.065 0.000 0.260 207 V C 1.661 177.750 176.094 -0.008 0.000 1.105 207 V CA 1.779 64.070 62.300 -0.014 0.000 1.125 207 V CB -1.614 30.194 31.823 -0.026 0.000 0.730 207 V HN 0.451 nan 8.190 nan 0.000 0.479 208 D N 2.626 123.011 120.400 -0.025 0.000 2.182 208 D HA -0.072 4.529 4.640 -0.065 0.000 0.201 208 D C 1.888 178.117 176.300 -0.118 0.000 0.986 208 D CA 1.739 55.707 54.000 -0.053 0.000 0.847 208 D CB -0.822 39.949 40.800 -0.047 0.000 0.942 208 D HN 0.510 nan 8.370 nan 0.000 0.467 209 G N -0.339 108.393 108.800 -0.114 0.000 3.233 209 G HA2 0.247 4.168 3.960 -0.065 0.000 0.227 209 G HA3 0.247 4.168 3.960 -0.065 0.000 0.227 209 G C 0.408 174.944 174.900 -0.606 0.000 1.175 209 G CA -0.474 44.352 45.100 -0.457 0.000 0.781 209 G HN 0.226 nan 8.290 nan 0.000 0.542 210 L N 1.659 122.731 121.223 -0.252 0.000 2.397 210 L HA 0.297 4.598 4.340 -0.065 0.000 0.271 210 L C -0.036 176.489 176.870 -0.574 0.000 1.148 210 L CA -0.479 54.226 54.840 -0.225 0.000 0.825 210 L CB 0.712 42.764 42.059 -0.012 0.000 1.117 210 L HN 0.225 nan 8.230 nan 0.000 0.456 211 H N 4.827 123.910 119.070 0.022 0.000 2.539 211 H HA 0.486 5.003 4.556 -0.065 0.000 0.332 211 H C -0.696 174.658 175.328 0.043 0.000 1.031 211 H CA -0.497 55.563 56.048 0.020 0.000 1.206 211 H CB 1.707 31.472 29.762 0.005 0.000 1.446 211 H HN 0.399 nan 8.280 nan 0.000 0.496 212 I N 1.994 122.645 120.570 0.135 0.000 2.418 212 I HA 0.325 4.456 4.170 -0.065 0.000 0.287 212 I C 0.618 176.805 176.117 0.116 0.000 1.008 212 I CA -0.672 60.698 61.300 0.117 0.000 1.104 212 I CB 2.184 40.241 38.000 0.094 0.000 1.264 212 I HN 0.599 nan 8.210 nan 0.000 0.438 213 G N 4.403 113.274 108.800 0.118 0.000 2.371 213 G HA2 0.816 4.737 3.960 -0.065 0.000 0.326 213 G HA3 0.816 4.737 3.960 -0.065 0.000 0.326 213 G C -1.048 173.909 174.900 0.094 0.000 1.127 213 G CA -0.397 44.767 45.100 0.106 0.000 0.885 213 G HN 0.791 nan 8.290 nan 0.000 0.477 214 A N 2.104 124.973 122.820 0.082 0.000 2.589 214 A HA 0.737 5.018 4.320 -0.065 0.000 0.296 214 A C -1.017 176.607 177.584 0.067 0.000 1.062 214 A CA -0.836 51.242 52.037 0.067 0.000 0.686 214 A CB 1.712 20.749 19.000 0.060 0.000 1.282 214 A HN 0.549 nan 8.150 nan 0.000 0.404 215 N N 0.599 119.337 118.700 0.063 0.000 2.576 215 N HA 0.452 5.153 4.740 -0.065 0.000 0.269 215 N C 0.566 176.113 175.510 0.061 0.000 1.058 215 N CA 0.816 53.907 53.050 0.068 0.000 0.860 215 N CB 1.645 40.182 38.487 0.085 0.000 1.249 215 N HN 1.829 nan 8.380 nan 0.000 0.525 216 G N 1.731 110.564 108.800 0.054 0.000 2.155 216 G HA2 -0.245 3.676 3.960 -0.065 0.000 0.257 216 G HA3 -0.245 3.676 3.960 -0.065 0.000 0.257 216 G C -0.196 174.734 174.900 0.051 0.000 0.983 216 G CA 0.286 45.416 45.100 0.050 0.000 0.676 216 G HN 0.453 nan 8.290 nan 0.000 0.528 217 L N 0.529 121.781 121.223 0.049 0.000 2.388 217 L HA 0.620 4.921 4.340 -0.065 0.000 0.264 217 L C 0.907 177.804 176.870 0.044 0.000 0.998 217 L CA -0.579 54.289 54.840 0.046 0.000 0.817 217 L CB 2.264 44.344 42.059 0.034 0.000 1.338 217 L HN 0.299 nan 8.230 nan 0.000 0.414 218 T N -1.828 112.753 114.554 0.044 0.000 2.910 218 T HA 0.231 4.541 4.350 -0.065 0.000 0.293 218 T C -1.973 172.757 174.700 0.050 0.000 1.015 218 T CA -1.624 60.503 62.100 0.045 0.000 1.094 218 T CB 1.243 70.136 68.868 0.042 0.000 0.968 218 T HN 0.321 nan 8.240 nan 0.000 0.521 219 P HA -0.202 nan 4.420 nan 0.000 0.218 219 P C 1.646 178.987 177.300 0.069 0.000 1.152 219 P CA 1.104 64.242 63.100 0.064 0.000 0.857 219 P CB 0.095 31.830 31.700 0.058 0.000 0.787 220 Q N -0.173 119.662 119.800 0.059 0.000 2.124 220 Q HA -0.185 4.116 4.340 -0.065 0.000 0.202 220 Q C 2.147 178.186 176.000 0.066 0.000 0.977 220 Q CA 1.763 57.602 55.803 0.060 0.000 0.850 220 Q CB -0.767 28.000 28.738 0.049 0.000 0.901 220 Q HN 0.350 nan 8.270 nan 0.000 0.429 221 Q N -1.238 118.597 119.800 0.058 0.000 2.230 221 Q HA -0.037 4.264 4.340 -0.065 0.000 0.202 221 Q C 1.997 178.022 176.000 0.041 0.000 0.963 221 Q CA 1.073 56.911 55.803 0.058 0.000 0.866 221 Q CB 0.217 28.989 28.738 0.057 0.000 0.931 221 Q HN 0.205 nan 8.270 nan 0.000 0.452 222 V N 1.032 120.969 119.914 0.039 0.000 2.307 222 V HA -0.250 3.831 4.120 -0.065 0.000 0.245 222 V C 2.123 178.301 176.094 0.140 0.000 1.045 222 V CA 1.522 63.836 62.300 0.023 0.000 1.024 222 V CB -0.459 31.417 31.823 0.088 0.000 0.651 222 V HN 0.313 nan 8.190 nan 0.000 0.449 223 L N -0.201 121.140 121.223 0.197 0.000 1.989 223 L HA -0.232 4.069 4.340 -0.065 0.000 0.211 223 L C 2.415 179.400 176.870 0.191 0.000 1.071 223 L CA 1.932 56.924 54.840 0.253 0.000 0.749 223 L CB -1.038 41.113 42.059 0.152 0.000 0.890 223 L HN 0.314 nan 8.230 nan 0.000 0.431 224 D N 0.302 120.772 120.400 0.117 0.000 2.172 224 D HA -0.190 4.411 4.640 -0.065 0.000 0.196 224 D C 2.105 178.479 176.300 0.123 0.000 0.999 224 D CA 1.718 55.779 54.000 0.103 0.000 0.856 224 D CB -0.350 40.504 40.800 0.090 0.000 0.934 224 D HN 0.484 nan 8.370 nan 0.000 0.453 225 G N -0.558 108.284 108.800 0.070 0.000 2.443 225 G HA2 -0.201 3.720 3.960 -0.065 0.000 0.219 225 G HA3 -0.201 3.720 3.960 -0.065 0.000 0.219 225 G C 1.329 176.214 174.900 -0.026 0.000 1.131 225 G CA 0.178 45.317 45.100 0.066 0.000 0.775 225 G HN 0.200 nan 8.290 nan 0.000 0.547 226 F N 0.968 120.970 119.950 0.087 0.000 2.262 226 F HA 0.531 5.018 4.527 -0.066 0.000 0.292 226 F C 1.387 177.178 175.800 -0.015 0.000 1.081 226 F CA 0.666 58.687 58.000 0.034 0.000 1.355 226 F CB 0.179 39.182 39.000 0.006 0.000 1.069 226 F HN 0.228 nan 8.300 nan 0.000 0.506 227 A N -0.632 122.287 122.820 0.166 0.000 2.574 227 A HA 0.435 4.716 4.320 -0.065 0.000 0.297 227 A C -1.599 176.006 177.584 0.036 0.000 1.062 227 A CA -0.762 51.312 52.037 0.063 0.000 0.686 227 A CB 0.575 19.614 19.000 0.065 0.000 1.285 227 A HN 0.007 nan 8.150 nan 0.000 0.403 228 D N 0.964 121.360 120.400 -0.006 0.000 2.401 228 D HA 0.186 4.787 4.640 -0.065 0.000 0.254 228 D C 0.791 177.096 176.300 0.009 0.000 1.192 228 D CA 0.415 54.413 54.000 -0.003 0.000 0.885 228 D CB 0.851 41.636 40.800 -0.026 0.000 1.147 228 D HN 0.336 nan 8.370 nan 0.000 0.478 229 Q N 2.617 122.431 119.800 0.023 0.000 2.408 229 Q HA -0.039 4.262 4.340 -0.065 0.000 0.205 229 Q C 1.471 177.482 176.000 0.019 0.000 0.919 229 Q CA 0.339 56.159 55.803 0.029 0.000 0.932 229 Q CB 0.158 28.922 28.738 0.044 0.000 1.058 229 Q HN 0.715 nan 8.270 nan 0.000 0.517 230 Q N 0.497 120.302 119.800 0.009 0.000 2.112 230 Q HA -0.153 4.148 4.340 -0.065 0.000 0.206 230 Q C -0.641 175.357 176.000 -0.003 0.000 0.987 230 Q CA 1.409 57.214 55.803 0.004 0.000 0.858 230 Q CB -0.752 27.985 28.738 -0.002 0.000 0.905 230 Q HN 0.327 nan 8.270 nan 0.000 0.420 231 P HA -0.042 nan 4.420 nan 0.000 0.231 231 P C -0.739 176.550 177.300 -0.019 0.000 1.158 231 P CA 0.621 63.709 63.100 -0.020 0.000 0.763 231 P CB -0.024 31.658 31.700 -0.030 0.000 0.805 232 A N 0.357 123.177 122.820 -0.001 0.000 2.409 232 A HA 0.411 4.692 4.320 -0.065 0.000 0.262 232 A C 0.848 178.438 177.584 0.010 0.000 1.113 232 A CA -0.211 51.833 52.037 0.012 0.000 0.790 232 A CB -0.055 18.975 19.000 0.050 0.000 1.046 232 A HN 0.237 nan 8.150 nan 0.000 0.496 233 S N 2.677 118.364 115.700 -0.022 0.000 2.645 233 S HA 0.633 5.064 4.470 -0.065 0.000 0.266 233 S C -2.677 171.971 174.600 0.080 0.000 1.258 233 S CA -1.253 56.937 58.200 -0.017 0.000 0.990 233 S CB 0.216 63.350 63.200 -0.110 0.000 0.967 233 S HN 0.527 nan 8.310 nan 0.000 0.556 234 P HA 0.376 nan 4.420 nan 0.000 0.274 234 P C 0.928 178.353 177.300 0.208 0.000 1.231 234 P CA 0.581 63.751 63.100 0.117 0.000 0.790 234 P CB 0.216 31.958 31.700 0.071 0.000 0.951 235 G N -0.027 108.841 108.800 0.112 0.000 2.162 235 G HA2 -0.211 3.710 3.960 -0.065 0.000 0.260 235 G HA3 -0.211 3.710 3.960 -0.065 0.000 0.260 235 G C -0.039 174.769 174.900 -0.154 0.000 0.976 235 G CA 0.268 45.372 45.100 0.007 0.000 0.655 235 G HN 0.708 nan 8.290 nan 0.000 0.533 236 H N -0.384 118.694 119.070 0.014 0.000 2.855 236 H HA 0.875 5.392 4.556 -0.065 0.000 0.363 236 H C 0.320 175.649 175.328 0.002 0.000 1.185 236 H CA 0.227 56.276 56.048 0.003 0.000 1.174 236 H CB 1.999 31.754 29.762 -0.011 0.000 1.857 236 H HN 0.824 nan 8.280 nan 0.000 0.565 237 A N 0.782 123.672 122.820 0.117 0.000 2.602 237 A HA 0.614 4.895 4.320 -0.065 0.000 0.290 237 A C -1.643 175.964 177.584 0.038 0.000 1.114 237 A CA -0.633 51.443 52.037 0.064 0.000 0.683 237 A CB 1.386 20.413 19.000 0.046 0.000 1.281 237 A HN 0.472 nan 8.150 nan 0.000 0.416 238 I N 1.931 122.521 120.570 0.033 0.000 2.404 238 I HA 0.467 4.597 4.170 -0.065 0.000 0.293 238 I C -0.193 175.936 176.117 0.019 0.000 0.992 238 I CA -0.183 61.131 61.300 0.024 0.000 1.149 238 I CB 1.014 39.028 38.000 0.022 0.000 1.315 238 I HN 0.739 nan 8.210 nan 0.000 0.446 239 I N 4.087 124.661 120.570 0.007 0.000 2.797 239 I HA 0.810 4.941 4.170 -0.065 0.000 0.307 239 I C -0.266 175.859 176.117 0.014 0.000 1.033 239 I CA -0.581 60.694 61.300 -0.041 0.000 1.071 239 I CB 2.196 40.131 38.000 -0.108 0.000 1.255 239 I HN 0.690 nan 8.210 nan 0.000 0.445 240 C N 4.912 124.190 119.300 -0.036 0.000 2.707 240 C HA 0.941 5.361 4.460 -0.065 0.000 0.313 240 C C -0.194 174.774 174.990 -0.037 0.000 1.209 240 C CA -0.666 58.350 59.018 -0.004 0.000 1.635 240 C CB 1.206 28.937 27.740 -0.014 0.000 2.206 240 C HN 1.131 nan 8.230 nan 0.000 0.485 241 M N 1.305 120.901 119.600 -0.007 0.000 2.644 241 M HA 0.453 4.894 4.480 -0.065 0.000 0.273 241 M C -0.684 175.613 176.300 -0.005 0.000 1.253 241 M CA -0.437 54.855 55.300 -0.013 0.000 0.852 241 M CB 1.219 33.793 32.600 -0.042 0.000 1.708 241 M HN 0.932 nan 8.290 nan 0.000 0.471 242 H N 2.551 121.610 119.070 -0.018 0.000 3.192 242 H HA 0.067 4.584 4.556 -0.065 0.000 0.295 242 H C -1.957 173.344 175.328 -0.045 0.000 0.943 242 H CA 0.095 56.185 56.048 0.070 0.000 1.416 242 H CB 0.663 30.580 29.762 0.258 0.000 1.434 242 H HN 0.436 nan 8.280 nan 0.000 0.565 243 P HA -0.215 nan 4.420 nan 0.000 0.217 243 P C 1.775 179.096 177.300 0.034 0.000 1.151 243 P CA 1.037 64.194 63.100 0.095 0.000 0.849 243 P CB 0.261 31.994 31.700 0.054 0.000 0.787 244 V N -0.368 119.515 119.914 -0.052 0.000 2.343 244 V HA -0.264 3.817 4.120 -0.065 0.000 0.247 244 V C 2.714 178.773 176.094 -0.059 0.000 1.051 244 V CA 2.065 64.258 62.300 -0.179 0.000 1.036 244 V CB -1.356 30.215 31.823 -0.419 0.000 0.654 244 V HN 0.116 nan 8.190 nan 0.000 0.451 245 Q N 0.694 120.466 119.800 -0.048 0.000 2.181 245 Q HA -0.177 4.124 4.340 -0.065 0.000 0.205 245 Q C 2.020 178.043 176.000 0.039 0.000 0.980 245 Q CA 2.190 57.983 55.803 -0.017 0.000 0.862 245 Q CB -0.509 28.219 28.738 -0.018 0.000 0.905 245 Q HN 0.625 nan 8.270 nan 0.000 0.429 246 A N -0.478 122.369 122.820 0.044 0.000 1.968 246 A HA -0.119 4.162 4.320 -0.065 0.000 0.217 246 A C 1.928 179.581 177.584 0.115 0.000 1.169 246 A CA 1.130 53.207 52.037 0.067 0.000 0.638 246 A CB -0.264 18.538 19.000 -0.330 0.000 0.812 246 A HN 0.361 nan 8.150 nan 0.000 0.446 247 Q N -0.175 119.668 119.800 0.071 0.000 2.096 247 Q HA 0.056 4.357 4.340 -0.065 0.000 0.197 247 Q C 2.145 178.221 176.000 0.127 0.000 0.964 247 Q CA 0.925 56.789 55.803 0.101 0.000 0.838 247 Q CB -0.405 28.392 28.738 0.097 0.000 0.906 247 Q HN 0.700 nan 8.270 nan 0.000 0.444 248 L N -0.324 120.972 121.223 0.121 0.000 2.083 248 L HA -0.148 4.153 4.340 -0.065 0.000 0.209 248 L C 2.332 179.321 176.870 0.199 0.000 1.083 248 L CA 1.116 56.037 54.840 0.135 0.000 0.752 248 L CB -0.536 41.585 42.059 0.104 0.000 0.899 248 L HN 0.112 nan 8.230 nan 0.000 0.433 249 F N 0.639 120.610 119.950 0.035 0.000 2.102 249 F HA -0.182 4.305 4.527 -0.066 0.000 0.298 249 F C 2.183 178.044 175.800 0.102 0.000 1.105 249 F CA 1.275 59.293 58.000 0.031 0.000 1.239 249 F CB -0.014 38.928 39.000 -0.097 0.000 0.991 249 F HN -0.078 nan 8.300 nan 0.000 0.474 250 M N 0.398 120.089 119.600 0.151 0.000 2.781 250 M HA -0.039 4.402 4.480 -0.065 0.000 0.208 250 M C 0.674 177.003 176.300 0.048 0.000 1.231 250 M CA 0.818 56.157 55.300 0.065 0.000 1.029 250 M CB -0.233 32.472 32.600 0.175 0.000 1.753 250 M HN 0.403 nan 8.290 nan 0.000 0.448 251 Q N -1.067 118.757 119.800 0.040 0.000 2.179 251 Q HA 0.090 4.391 4.340 -0.065 0.000 0.244 251 Q C -0.223 175.779 176.000 0.004 0.000 0.808 251 Q CA -0.157 55.671 55.803 0.041 0.000 0.955 251 Q CB 1.015 29.796 28.738 0.073 0.000 1.141 251 Q HN 0.358 nan 8.270 nan 0.000 0.485 252 D N -0.248 120.138 120.400 -0.023 0.000 2.399 252 D HA 0.135 4.735 4.640 -0.065 0.000 0.241 252 D C 0.678 176.908 176.300 -0.117 0.000 1.133 252 D CA 0.269 54.200 54.000 -0.115 0.000 0.890 252 D CB 1.212 41.887 40.800 -0.208 0.000 1.201 252 D HN 0.200 nan 8.370 nan 0.000 0.432 253 A N 3.467 126.211 122.820 -0.127 0.000 2.067 253 A HA -0.080 4.200 4.320 -0.065 0.000 0.217 253 A C 1.971 179.516 177.584 -0.064 0.000 1.156 253 A CA 0.843 52.832 52.037 -0.079 0.000 0.683 253 A CB -0.135 18.824 19.000 -0.069 0.000 0.808 253 A HN 0.610 nan 8.150 nan 0.000 0.455 254 R N -0.737 119.696 120.500 -0.111 0.000 2.148 254 R HA -0.034 4.267 4.340 -0.065 0.000 0.223 254 R C 1.733 178.108 176.300 0.126 0.000 1.088 254 R CA 1.337 57.436 56.100 -0.003 0.000 0.985 254 R CB -0.214 30.041 30.300 -0.074 0.000 0.880 254 R HN 0.408 nan 8.270 nan 0.000 0.451 255 V N 0.455 120.358 119.914 -0.018 0.000 2.535 255 V HA -0.128 3.953 4.120 -0.065 0.000 0.246 255 V C 2.213 178.304 176.094 -0.005 0.000 1.045 255 V CA 1.202 63.471 62.300 -0.053 0.000 1.058 255 V CB -0.233 31.308 31.823 -0.470 0.000 0.689 255 V HN 0.212 nan 8.190 nan 0.000 0.461 256 Q N -0.031 119.760 119.800 -0.015 0.000 2.084 256 Q HA -0.236 4.065 4.340 -0.065 0.000 0.202 256 Q C 2.267 178.288 176.000 0.035 0.000 0.978 256 Q CA 1.673 57.485 55.803 0.015 0.000 0.844 256 Q CB -0.357 28.385 28.738 0.006 0.000 0.898 256 Q HN 0.601 nan 8.270 nan 0.000 0.426 257 Q N 0.752 120.574 119.800 0.036 0.000 2.061 257 Q HA -0.092 4.209 4.340 -0.065 0.000 0.204 257 Q C 2.097 178.137 176.000 0.066 0.000 0.984 257 Q CA 1.405 57.236 55.803 0.046 0.000 0.846 257 Q CB -0.411 28.353 28.738 0.043 0.000 0.902 257 Q HN 0.388 nan 8.270 nan 0.000 0.421 258 L N -0.572 120.710 121.223 0.097 0.000 2.083 258 L HA -0.161 4.140 4.340 -0.065 0.000 0.209 258 L C 2.316 179.242 176.870 0.094 0.000 1.083 258 L CA 0.781 55.690 54.840 0.115 0.000 0.752 258 L CB -0.382 41.784 42.059 0.178 0.000 0.899 258 L HN 0.243 nan 8.230 nan 0.000 0.433 259 L N -0.849 120.425 121.223 0.086 0.000 2.109 259 L HA -0.134 4.167 4.340 -0.065 0.000 0.207 259 L C 2.792 179.701 176.870 0.064 0.000 1.086 259 L CA 0.981 55.872 54.840 0.085 0.000 0.760 259 L CB -0.339 41.779 42.059 0.098 0.000 0.910 259 L HN 0.145 nan 8.230 nan 0.000 0.437 260 R N -0.128 120.404 120.500 0.054 0.000 2.115 260 R HA -0.135 4.165 4.340 -0.065 0.000 0.230 260 R C 1.017 177.341 176.300 0.041 0.000 1.111 260 R CA 1.241 57.366 56.100 0.042 0.000 0.976 260 R CB 0.011 30.333 30.300 0.035 0.000 0.870 260 R HN 0.282 nan 8.270 nan 0.000 0.445 261 D N 0.365 120.794 120.400 0.048 0.000 2.349 261 D HA -0.008 4.593 4.640 -0.065 0.000 0.224 261 D C -0.189 176.142 176.300 0.052 0.000 1.029 261 D CA 0.240 54.269 54.000 0.048 0.000 0.879 261 D CB -0.050 40.782 40.800 0.053 0.000 0.906 261 D HN 0.121 nan 8.370 nan 0.000 0.528 262 N N -0.526 118.205 118.700 0.052 0.000 2.708 262 N HA -0.168 4.532 4.740 -0.065 0.000 0.249 262 N C 1.002 176.553 175.510 0.069 0.000 1.097 262 N CA 0.336 53.415 53.050 0.049 0.000 0.710 262 N CB -1.443 37.063 38.487 0.032 0.000 1.032 262 N HN 0.168 nan 8.380 nan 0.000 0.551 263 V N -0.196 119.769 119.914 0.085 0.000 2.346 263 V HA 0.026 4.107 4.120 -0.065 0.000 0.244 263 V C 1.432 177.577 176.094 0.085 0.000 1.037 263 V CA 1.731 64.098 62.300 0.113 0.000 1.029 263 V CB -0.151 31.751 31.823 0.132 0.000 0.663 263 V HN 0.546 nan 8.190 nan 0.000 0.454 264 I N -1.800 118.795 120.570 0.042 0.000 2.693 264 I HA 0.661 4.792 4.170 -0.065 0.000 0.303 264 I C -0.376 175.788 176.117 0.078 0.000 1.025 264 I CA -0.902 60.397 61.300 -0.002 0.000 1.086 264 I CB 2.034 39.969 38.000 -0.108 0.000 1.268 264 I HN -0.106 nan 8.210 nan 0.000 0.440 265 R N 2.060 122.619 120.500 0.098 0.000 2.686 265 R HA 0.337 4.638 4.340 -0.065 0.000 0.286 265 R C -1.477 174.893 176.300 0.116 0.000 0.969 265 R CA -0.788 55.364 56.100 0.086 0.000 0.898 265 R CB 1.836 32.141 30.300 0.009 0.000 1.183 265 R HN 0.690 nan 8.270 nan 0.000 0.456 266 D N 3.060 123.491 120.400 0.051 0.000 2.280 266 D HA 0.149 4.750 4.640 -0.065 0.000 0.243 266 D C 0.249 176.471 176.300 -0.129 0.000 1.129 266 D CA -0.167 53.761 54.000 -0.120 0.000 0.848 266 D CB 1.067 41.859 40.800 -0.014 0.000 1.107 266 D HN 0.431 nan 8.370 nan 0.000 0.471 267 L N 3.092 124.186 121.223 -0.215 0.000 2.769 267 L HA 0.389 4.690 4.340 -0.065 0.000 0.240 267 L C 1.425 178.156 176.870 -0.231 0.000 1.163 267 L CA -0.284 54.456 54.840 -0.167 0.000 0.962 267 L CB -0.433 41.540 42.059 -0.143 0.000 1.258 267 L HN 0.635 nan 8.230 nan 0.000 0.513 268 G N 1.026 109.651 108.800 -0.291 0.000 2.692 268 G HA2 -0.305 3.616 3.960 -0.065 0.000 0.248 268 G HA3 -0.305 3.616 3.960 -0.065 0.000 0.248 268 G C -0.164 174.201 174.900 -0.892 0.000 1.340 268 G CA -0.417 44.324 45.100 -0.598 0.000 0.896 268 G HN 0.399 nan 8.290 nan 0.000 0.570 269 Q N 0.618 120.020 119.800 -0.663 0.000 2.664 269 Q HA 0.390 4.690 4.340 -0.065 0.000 0.223 269 Q C 1.097 176.945 176.000 -0.252 0.000 1.298 269 Q CA 0.469 56.025 55.803 -0.412 0.000 0.965 269 Q CB 0.113 28.713 28.738 -0.230 0.000 1.510 269 Q HN 0.818 nan 8.270 nan 0.000 0.567 270 S N -1.048 114.506 115.700 -0.243 0.000 2.701 270 S HA 0.239 4.670 4.470 -0.065 0.000 0.242 270 S C 0.793 175.309 174.600 -0.140 0.000 1.025 270 S CA -0.285 57.815 58.200 -0.166 0.000 1.016 270 S CB 0.814 63.921 63.200 -0.155 0.000 0.977 270 S HN 0.457 nan 8.310 nan 0.000 0.546 271 G N 1.818 110.524 108.800 -0.156 0.000 2.510 271 G HA2 0.474 4.395 3.960 -0.065 0.000 0.280 271 G HA3 0.474 4.395 3.960 -0.065 0.000 0.280 271 G C -0.260 174.552 174.900 -0.147 0.000 1.386 271 G CA -1.323 43.691 45.100 -0.143 0.000 1.047 271 G HN 0.486 nan 8.290 nan 0.000 0.527 272 R N -1.098 119.305 120.500 -0.162 0.000 2.698 272 R HA 0.188 4.489 4.340 -0.065 0.000 0.266 272 R C -0.684 175.522 176.300 -0.157 0.000 1.026 272 R CA -0.411 55.582 56.100 -0.178 0.000 1.102 272 R CB 0.405 30.560 30.300 -0.242 0.000 0.978 272 R HN 0.098 nan 8.270 nan 0.000 0.436 273 V N 2.114 121.958 119.914 -0.117 0.000 2.408 273 V HA 0.424 4.505 4.120 -0.065 0.000 0.267 273 V C 0.410 176.499 176.094 -0.008 0.000 1.047 273 V CA -0.183 62.082 62.300 -0.059 0.000 0.937 273 V CB 0.600 32.398 31.823 -0.042 0.000 0.999 273 V HN 0.924 nan 8.190 nan 0.000 0.472 274 A N 4.126 127.002 122.820 0.093 0.000 2.479 274 A HA 0.884 5.165 4.320 -0.065 0.000 0.296 274 A C -0.346 177.511 177.584 0.454 0.000 1.121 274 A CA -0.621 51.569 52.037 0.254 0.000 0.743 274 A CB 1.973 21.157 19.000 0.308 0.000 1.323 274 A HN 0.623 nan 8.150 nan 0.000 0.415 275 S N 2.171 118.130 115.700 0.432 0.000 2.498 275 S HA 0.643 5.074 4.470 -0.065 0.000 0.317 275 S C -2.766 171.975 174.600 0.235 0.000 1.090 275 S CA -0.991 57.404 58.200 0.326 0.000 1.089 275 S CB 1.329 64.698 63.200 0.281 0.000 0.997 275 S HN 0.529 nan 8.310 nan 0.000 0.470 276 P HA 0.263 nan 4.420 nan 0.000 0.274 276 P C 0.151 177.405 177.300 -0.077 0.000 1.237 276 P CA -0.370 62.507 63.100 -0.372 0.000 0.793 276 P CB 0.441 31.711 31.700 -0.717 0.000 0.977 277 T N -2.765 111.766 114.554 -0.037 0.000 2.889 277 T HA 0.544 4.855 4.350 -0.065 0.000 0.278 277 T C 1.297 175.980 174.700 -0.027 0.000 0.995 277 T CA -0.286 61.818 62.100 0.007 0.000 0.966 277 T CB 0.430 69.363 68.868 0.109 0.000 1.237 277 T HN 0.245 nan 8.240 nan 0.000 0.591 278 A N 0.493 123.290 122.820 -0.039 0.000 2.186 278 A HA 0.020 4.301 4.320 -0.065 0.000 0.219 278 A C 2.257 179.839 177.584 -0.004 0.000 1.159 278 A CA 1.660 53.677 52.037 -0.033 0.000 0.680 278 A CB -1.303 17.662 19.000 -0.058 0.000 0.787 278 A HN 1.119 nan 8.150 nan 0.000 0.467 279 S N -1.710 113.993 115.700 0.005 0.000 2.556 279 S HA 0.283 4.714 4.470 -0.065 0.000 0.216 279 S C 1.052 175.662 174.600 0.017 0.000 0.970 279 S CA 0.357 58.568 58.200 0.018 0.000 0.912 279 S CB -0.174 63.044 63.200 0.030 0.000 0.790 279 S HN 0.581 nan 8.310 nan 0.000 0.504 280 I N 0.342 120.913 120.570 0.002 0.000 4.235 280 I HA -0.350 3.781 4.170 -0.065 0.000 0.088 280 I C 1.387 177.499 176.117 -0.008 0.000 0.530 280 I CA 2.291 63.608 61.300 0.029 0.000 1.179 280 I CB -1.901 36.159 38.000 0.099 0.000 1.046 280 I HN 0.638 nan 8.210 nan 0.000 0.176 281 R N 0.537 121.065 120.500 0.046 0.000 2.397 281 R HA 0.363 4.664 4.340 -0.065 0.000 0.241 281 R C 0.414 176.842 176.300 0.214 0.000 0.914 281 R CA 0.526 56.729 56.100 0.172 0.000 1.071 281 R CB -0.290 30.104 30.300 0.157 0.000 1.116 281 R HN 0.270 nan 8.270 nan 0.000 0.524 282 T N 1.464 116.080 114.554 0.105 0.000 2.744 282 T HA 0.319 4.630 4.350 -0.065 0.000 0.291 282 T C -1.214 173.617 174.700 0.218 0.000 0.957 282 T CA -0.383 61.846 62.100 0.215 0.000 1.002 282 T CB 0.395 69.340 68.868 0.129 0.000 0.919 282 T HN 0.171 nan 8.240 nan 0.000 0.468 283 W N 2.982 124.465 121.300 0.305 0.000 2.512 283 W HA 0.633 5.254 4.660 -0.064 0.000 0.335 283 W C -0.355 176.424 176.519 0.433 0.000 1.088 283 W CA -1.316 56.217 57.345 0.314 0.000 1.236 283 W CB 0.621 30.198 29.460 0.195 0.000 1.307 283 W HN 0.562 nan 8.180 nan 0.000 0.567 284 F N 3.894 124.092 119.950 0.413 0.000 2.443 284 F HA 0.693 5.181 4.527 -0.065 0.000 0.335 284 F C -0.550 175.295 175.800 0.074 0.000 1.104 284 F CA -0.952 57.136 58.000 0.147 0.000 1.013 284 F CB 0.646 39.748 39.000 0.170 0.000 1.136 284 F HN 0.118 nan 8.300 nan 0.000 0.470 285 I N 5.061 125.120 120.570 -0.852 0.000 2.439 285 I HA 0.164 4.295 4.170 -0.065 0.000 0.283 285 I C -0.904 174.603 176.117 -1.018 0.000 1.023 285 I CA -0.916 59.983 61.300 -0.668 0.000 1.100 285 I CB 1.392 39.219 38.000 -0.290 0.000 1.238 285 I HN 0.507 nan 8.210 nan 0.000 0.445 286 D N 6.457 126.336 120.400 -0.870 0.000 2.533 286 D HA -0.091 4.510 4.640 -0.065 0.000 0.236 286 D C 0.243 176.353 176.300 -0.317 0.000 1.137 286 D CA 1.201 54.892 54.000 -0.516 0.000 0.867 286 D CB 0.476 41.187 40.800 -0.148 0.000 1.170 286 D HN 0.533 nan 8.370 nan 0.000 0.474 287 D N 1.402 121.651 120.400 -0.252 0.000 2.697 287 D HA -0.288 4.313 4.640 -0.065 0.000 0.235 287 D C -0.486 175.729 176.300 -0.142 0.000 1.167 287 D CA 0.768 54.666 54.000 -0.170 0.000 0.656 287 D CB -1.225 39.512 40.800 -0.105 0.000 1.025 287 D HN 0.586 nan 8.370 nan 0.000 0.419 288 H N -0.335 118.534 119.070 -0.335 0.000 2.834 288 H HA 0.285 4.802 4.556 -0.065 0.000 0.369 288 H C 0.505 175.603 175.328 -0.382 0.000 1.174 288 H CA -0.700 55.165 56.048 -0.304 0.000 1.165 288 H CB 1.270 30.866 29.762 -0.276 0.000 1.820 288 H HN -0.301 nan 8.280 nan 0.000 0.558 289 D N 1.189 120.939 120.400 -1.085 0.000 2.348 289 D HA -0.039 4.562 4.640 -0.065 0.000 0.216 289 D C -0.395 175.150 176.300 -1.260 0.000 0.970 289 D CA 1.204 54.505 54.000 -1.166 0.000 0.889 289 D CB 0.292 40.285 40.800 -1.346 0.000 0.912 289 D HN 0.347 nan 8.370 nan 0.000 0.524 290 Y N -1.554 118.365 120.300 -0.635 0.000 2.562 290 Y HA 0.325 4.836 4.550 -0.065 0.000 0.345 290 Y C -0.128 175.693 175.900 -0.133 0.000 1.045 290 Y CA -1.312 56.615 58.100 -0.288 0.000 1.028 290 Y CB 1.073 39.373 38.460 -0.266 0.000 1.297 290 Y HN -0.340 nan 8.280 nan 0.000 0.463 291 F N 1.855 121.871 119.950 0.111 0.000 2.403 291 F HA 0.464 4.952 4.527 -0.064 0.000 0.320 291 F C 0.070 175.974 175.800 0.174 0.000 1.176 291 F CA -0.243 57.856 58.000 0.165 0.000 1.206 291 F CB 0.565 39.661 39.000 0.161 0.000 1.235 291 F HN 0.142 nan 8.300 nan 0.000 0.565 292 I N 1.801 122.642 120.570 0.453 0.000 2.406 292 I HA 0.274 4.404 4.170 -0.065 0.000 0.290 292 I C -0.555 175.832 176.117 0.450 0.000 0.999 292 I CA -0.687 60.842 61.300 0.382 0.000 1.124 292 I CB 1.710 39.900 38.000 0.317 0.000 1.289 292 I HN 0.443 nan 8.210 nan 0.000 0.441 293 K N 5.746 126.364 120.400 0.363 0.000 2.473 293 K HA 0.603 4.884 4.320 -0.065 0.000 0.246 293 K C -0.317 176.435 176.600 0.253 0.000 1.011 293 K CA -0.342 56.118 56.287 0.288 0.000 0.984 293 K CB 1.104 33.706 32.500 0.170 0.000 1.250 293 K HN 0.805 nan 8.250 nan 0.000 0.454 294 G N 1.104 110.072 108.800 0.279 0.000 2.552 294 G HA2 0.290 4.211 3.960 -0.065 0.000 0.318 294 G HA3 0.290 4.211 3.960 -0.065 0.000 0.318 294 G C -0.896 174.072 174.900 0.114 0.000 1.240 294 G CA -0.702 44.502 45.100 0.173 0.000 1.002 294 G HN 0.499 nan 8.290 nan 0.000 0.493 295 S N -0.997 114.720 115.700 0.029 0.000 2.565 295 S HA 0.423 4.854 4.470 -0.065 0.000 0.274 295 S C -0.656 173.940 174.600 -0.006 0.000 1.309 295 S CA -0.198 57.992 58.200 -0.018 0.000 1.043 295 S CB 1.201 64.344 63.200 -0.095 0.000 0.939 295 S HN 0.435 nan 8.310 nan 0.000 0.504 296 L N 3.887 125.093 121.223 -0.028 0.000 2.372 296 L HA 0.451 4.752 4.340 -0.065 0.000 0.273 296 L C -0.248 176.566 176.870 -0.094 0.000 0.989 296 L CA -0.345 54.451 54.840 -0.074 0.000 0.841 296 L CB 1.254 43.253 42.059 -0.099 0.000 1.225 296 L HN 0.514 nan 8.230 nan 0.000 0.414 297 N N 3.888 122.535 118.700 -0.088 0.000 3.210 297 N HA 0.209 4.910 4.740 -0.065 0.000 0.314 297 N C -1.454 174.015 175.510 -0.067 0.000 1.291 297 N CA 0.232 53.243 53.050 -0.064 0.000 1.202 297 N CB -0.317 38.148 38.487 -0.037 0.000 1.475 297 N HN 0.327 nan 8.380 nan 0.000 0.554 298 V N 1.153 120.996 119.914 -0.118 0.000 2.808 298 V HA 0.331 4.412 4.120 -0.065 0.000 0.308 298 V C 0.322 176.292 176.094 -0.208 0.000 1.099 298 V CA -1.036 61.153 62.300 -0.185 0.000 0.920 298 V CB 2.071 33.704 31.823 -0.318 0.000 1.014 298 V HN 0.190 nan 8.190 nan 0.000 0.425 299 R N 3.930 124.315 120.500 -0.192 0.000 2.459 299 R HA 0.280 4.581 4.340 -0.065 0.000 0.301 299 R C -0.660 175.501 176.300 -0.231 0.000 1.286 299 R CA -0.049 55.954 56.100 -0.162 0.000 1.046 299 R CB -0.160 30.076 30.300 -0.108 0.000 1.071 299 R HN 0.452 nan 8.270 nan 0.000 0.512 300 I N 3.449 123.895 120.570 -0.207 0.000 2.304 300 I HA 0.091 4.222 4.170 -0.065 0.000 0.291 300 I C 0.778 176.835 176.117 -0.100 0.000 1.018 300 I CA -0.070 61.111 61.300 -0.200 0.000 1.260 300 I CB 1.126 39.015 38.000 -0.185 0.000 1.390 300 I HN 0.681 nan 8.210 nan 0.000 0.475 301 T N 5.298 119.802 114.554 -0.084 0.000 4.096 301 T HA -0.246 4.065 4.350 -0.065 0.000 0.343 301 T C 1.029 175.746 174.700 0.028 0.000 0.756 301 T CA 1.273 63.361 62.100 -0.019 0.000 1.914 301 T CB -1.184 67.672 68.868 -0.020 0.000 1.873 301 T HN 0.874 nan 8.240 nan 0.000 0.850 302 N N -2.058 116.637 118.700 -0.008 0.000 2.980 302 N HA -0.178 4.523 4.740 -0.065 0.000 0.213 302 N C -0.438 175.065 175.510 -0.011 0.000 0.892 302 N CA 1.621 54.671 53.050 0.000 0.000 1.025 302 N CB -1.448 37.056 38.487 0.028 0.000 1.030 302 N HN 0.761 nan 8.380 nan 0.000 0.585 303 C N 0.093 119.381 119.300 -0.021 0.000 2.441 303 C HA 0.679 5.100 4.460 -0.065 0.000 0.318 303 C C 0.459 175.428 174.990 -0.036 0.000 1.222 303 C CA -1.260 57.749 59.018 -0.015 0.000 1.474 303 C CB 1.312 29.055 27.740 0.005 0.000 2.125 303 C HN 0.225 nan 8.230 nan 0.000 0.479 304 V N 4.964 124.861 119.914 -0.028 0.000 2.485 304 V HA 0.259 4.340 4.120 -0.065 0.000 0.287 304 V C 0.221 176.297 176.094 -0.030 0.000 1.022 304 V CA 0.586 62.862 62.300 -0.039 0.000 1.067 304 V CB 0.114 31.923 31.823 -0.022 0.000 0.967 304 V HN 0.873 nan 8.190 nan 0.000 0.479 305 R N 6.284 126.758 120.500 -0.043 0.000 2.215 305 R HA 0.546 4.847 4.340 -0.065 0.000 0.336 305 R C -0.546 175.736 176.300 -0.031 0.000 0.996 305 R CA -0.478 55.606 56.100 -0.026 0.000 0.847 305 R CB 1.095 31.384 30.300 -0.019 0.000 1.127 305 R HN 0.853 nan 8.270 nan 0.000 0.465 306 K N 0.690 121.069 120.400 -0.034 0.000 2.512 306 K HA 0.429 4.710 4.320 -0.065 0.000 0.263 306 K C -0.906 175.650 176.600 -0.074 0.000 0.966 306 K CA -1.174 55.077 56.287 -0.059 0.000 0.851 306 K CB 1.502 33.962 32.500 -0.067 0.000 1.395 306 K HN 0.083 nan 8.250 nan 0.000 0.440 307 N N 1.140 119.784 118.700 -0.093 0.000 2.699 307 N HA 0.261 4.962 4.740 -0.065 0.000 0.232 307 N C -0.805 174.587 175.510 -0.196 0.000 1.027 307 N CA -0.322 52.655 53.050 -0.121 0.000 0.920 307 N CB 1.297 39.741 38.487 -0.072 0.000 1.148 307 N HN 0.791 nan 8.380 nan 0.000 0.509 308 A N 1.777 124.401 122.820 -0.327 0.000 2.492 308 A HA 0.013 4.294 4.320 -0.065 0.000 0.236 308 A C 1.554 178.799 177.584 -0.565 0.000 1.078 308 A CA -0.467 51.263 52.037 -0.511 0.000 0.773 308 A CB 0.096 18.542 19.000 -0.923 0.000 1.023 308 A HN 0.809 nan 8.150 nan 0.000 0.504 309 W N 1.360 122.364 121.300 -0.493 0.000 2.342 309 W HA -0.286 4.335 4.660 -0.065 0.000 0.297 309 W C 1.306 177.646 176.519 -0.297 0.000 1.213 309 W CA 1.908 59.043 57.345 -0.349 0.000 1.251 309 W CB -1.122 28.131 29.460 -0.346 0.000 1.136 309 W HN 0.904 nan 8.180 nan 0.000 0.526 310 Y N 0.172 119.802 120.300 -1.116 0.000 2.457 310 Y HA 0.234 4.744 4.550 -0.066 0.000 0.292 310 Y C 2.183 177.805 175.900 -0.463 0.000 1.125 310 Y CA 1.147 58.574 58.100 -1.121 0.000 1.254 310 Y CB -1.223 36.337 38.460 -1.502 0.000 1.012 310 Y HN 0.020 nan 8.280 nan 0.000 0.555 311 E N 0.943 120.740 120.200 -0.672 0.000 2.158 311 E HA -0.053 4.258 4.350 -0.065 0.000 0.191 311 E C 1.998 178.510 176.600 -0.147 0.000 0.982 311 E CA 0.647 56.867 56.400 -0.300 0.000 0.823 311 E CB -0.091 29.403 29.700 -0.343 0.000 0.766 311 E HN 0.515 nan 8.360 nan 0.000 0.468 312 L N 0.696 121.826 121.223 -0.156 0.000 2.127 312 L HA -0.219 4.082 4.340 -0.065 0.000 0.211 312 L C 2.073 178.959 176.870 0.025 0.000 1.089 312 L CA 1.348 56.169 54.840 -0.031 0.000 0.757 312 L CB -0.279 41.778 42.059 -0.002 0.000 0.899 312 L HN 0.162 nan 8.230 nan 0.000 0.434 313 E N -0.853 119.356 120.200 0.014 0.000 2.122 313 E HA -0.104 4.207 4.350 -0.065 0.000 0.190 313 E C 2.306 178.939 176.600 0.055 0.000 0.977 313 E CA 0.703 57.139 56.400 0.060 0.000 0.820 313 E CB 0.154 29.912 29.700 0.097 0.000 0.770 313 E HN 0.236 nan 8.360 nan 0.000 0.462 314 S N 0.389 116.105 115.700 0.027 0.000 2.378 314 S HA -0.244 4.187 4.470 -0.065 0.000 0.229 314 S C 2.031 176.681 174.600 0.083 0.000 1.052 314 S CA 1.900 60.127 58.200 0.045 0.000 1.084 314 S CB -0.500 62.723 63.200 0.038 0.000 0.950 314 S HN 0.362 nan 8.310 nan 0.000 0.440 315 T N 2.057 116.679 114.554 0.113 0.000 2.622 315 T HA -0.122 4.188 4.350 -0.065 0.000 0.266 315 T C 1.931 176.769 174.700 0.230 0.000 1.047 315 T CA 1.656 63.883 62.100 0.212 0.000 1.159 315 T CB -0.814 68.154 68.868 0.166 0.000 0.863 315 T HN 0.243 nan 8.240 nan 0.000 0.422 316 V N 1.957 121.965 119.914 0.157 0.000 2.250 316 V HA -0.229 3.852 4.120 -0.065 0.000 0.253 316 V C 2.593 178.759 176.094 0.121 0.000 1.065 316 V CA 1.796 64.178 62.300 0.138 0.000 1.039 316 V CB -0.977 30.912 31.823 0.110 0.000 0.647 316 V HN 0.429 nan 8.190 nan 0.000 0.446 317 L N -0.805 120.474 121.223 0.093 0.000 1.989 317 L HA -0.189 4.112 4.340 -0.065 0.000 0.211 317 L C 2.561 179.449 176.870 0.031 0.000 1.071 317 L CA 1.532 56.409 54.840 0.062 0.000 0.749 317 L CB -0.628 41.463 42.059 0.054 0.000 0.890 317 L HN 0.286 nan 8.230 nan 0.000 0.431 318 I N 0.289 120.863 120.570 0.007 0.000 2.127 318 I HA -0.339 3.791 4.170 -0.065 0.000 0.241 318 I C 2.306 178.393 176.117 -0.050 0.000 1.075 318 I CA 1.899 63.135 61.300 -0.108 0.000 1.334 318 I CB -1.212 36.619 38.000 -0.281 0.000 1.040 318 I HN 0.352 nan 8.210 nan 0.000 0.405 319 D N 0.688 121.172 120.400 0.140 0.000 2.133 319 D HA -0.255 4.346 4.640 -0.065 0.000 0.195 319 D C 2.428 178.854 176.300 0.210 0.000 0.997 319 D CA 1.485 55.695 54.000 0.349 0.000 0.840 319 D CB -0.067 40.959 40.800 0.377 0.000 0.947 319 D HN 0.126 nan 8.370 nan 0.000 0.452 320 R N -0.726 119.850 120.500 0.126 0.000 2.115 320 R HA -0.081 4.220 4.340 -0.065 0.000 0.230 320 R C 2.283 178.599 176.300 0.028 0.000 1.111 320 R CA 0.815 56.962 56.100 0.079 0.000 0.976 320 R CB -0.280 30.058 30.300 0.063 0.000 0.870 320 R HN 0.287 nan 8.270 nan 0.000 0.445 321 L N -0.001 121.208 121.223 -0.023 0.000 2.027 321 L HA -0.071 4.230 4.340 -0.065 0.000 0.206 321 L C 1.682 178.421 176.870 -0.218 0.000 1.074 321 L CA 1.722 56.462 54.840 -0.166 0.000 0.745 321 L CB -0.532 41.369 42.059 -0.262 0.000 0.898 321 L HN 0.055 nan 8.230 nan 0.000 0.433 322 F N 0.026 119.866 119.950 -0.184 0.000 2.171 322 F HA -0.168 4.320 4.527 -0.066 0.000 0.300 322 F C 2.811 178.564 175.800 -0.079 0.000 1.090 322 F CA 1.813 59.726 58.000 -0.144 0.000 1.293 322 F CB -0.413 38.532 39.000 -0.091 0.000 1.013 322 F HN 0.068 nan 8.300 nan 0.000 0.486 323 R N 0.502 121.092 120.500 0.150 0.000 2.081 323 R HA -0.224 4.077 4.340 -0.065 0.000 0.235 323 R C 2.294 178.604 176.300 0.017 0.000 1.131 323 R CA 1.829 57.980 56.100 0.085 0.000 0.960 323 R CB -0.407 29.945 30.300 0.087 0.000 0.856 323 R HN 0.411 nan 8.270 nan 0.000 0.436 324 Q N 0.368 120.152 119.800 -0.026 0.000 2.187 324 Q HA -0.099 4.201 4.340 -0.065 0.000 0.199 324 Q C 2.041 177.992 176.000 -0.081 0.000 0.957 324 Q CA 0.913 56.685 55.803 -0.051 0.000 0.857 324 Q CB 0.054 28.762 28.738 -0.048 0.000 0.929 324 Q HN 0.411 nan 8.270 nan 0.000 0.453 325 L N 0.383 121.509 121.223 -0.162 0.000 2.093 325 L HA -0.160 4.141 4.340 -0.065 0.000 0.208 325 L C 2.415 179.233 176.870 -0.087 0.000 1.085 325 L CA 0.689 55.421 54.840 -0.179 0.000 0.755 325 L CB -0.317 41.479 42.059 -0.438 0.000 0.904 325 L HN 0.256 nan 8.230 nan 0.000 0.435 326 L N -0.377 120.815 121.223 -0.052 0.000 2.027 326 L HA -0.219 4.082 4.340 -0.065 0.000 0.206 326 L C 2.186 179.037 176.870 -0.030 0.000 1.074 326 L CA 1.162 55.994 54.840 -0.014 0.000 0.745 326 L CB -0.532 41.544 42.059 0.029 0.000 0.898 326 L HN 0.245 nan 8.230 nan 0.000 0.433 327 D N -0.623 119.754 120.400 -0.038 0.000 2.178 327 D HA -0.170 4.431 4.640 -0.065 0.000 0.201 327 D C 2.165 178.408 176.300 -0.096 0.000 0.980 327 D CA 1.178 55.149 54.000 -0.048 0.000 0.842 327 D CB 0.033 40.814 40.800 -0.033 0.000 0.948 327 D HN 0.467 nan 8.370 nan 0.000 0.472 328 Q N -1.323 118.376 119.800 -0.169 0.000 2.431 328 Q HA 0.117 4.418 4.340 -0.065 0.000 0.244 328 Q C 0.362 176.027 176.000 -0.559 0.000 0.880 328 Q CA 0.289 55.874 55.803 -0.363 0.000 0.954 328 Q CB 0.547 29.005 28.738 -0.467 0.000 1.105 328 Q HN 0.382 nan 8.270 nan 0.000 0.558 329 H N -0.444 118.599 119.070 -0.046 0.000 2.505 329 H HA 0.410 4.927 4.556 -0.065 0.000 0.260 329 H C 0.906 176.218 175.328 -0.026 0.000 1.168 329 H CA 0.133 56.169 56.048 -0.021 0.000 0.945 329 H CB 0.671 30.411 29.762 -0.037 0.000 1.800 329 H HN 0.243 nan 8.280 nan 0.000 0.586 330 A N 0.977 123.815 122.820 0.029 0.000 1.917 330 A HA -0.263 4.018 4.320 -0.065 0.000 0.219 330 A C 1.802 179.419 177.584 0.055 0.000 1.182 330 A CA 2.184 54.237 52.037 0.027 0.000 0.633 330 A CB -0.263 18.742 19.000 0.007 0.000 0.819 330 A HN 0.601 nan 8.150 nan 0.000 0.448 331 D N -0.998 119.442 120.400 0.067 0.000 2.355 331 D HA -0.054 4.546 4.640 -0.065 0.000 0.218 331 D C 1.233 177.593 176.300 0.100 0.000 1.004 331 D CA 1.276 55.317 54.000 0.069 0.000 0.880 331 D CB -0.923 39.908 40.800 0.052 0.000 0.911 331 D HN 0.460 nan 8.370 nan 0.000 0.528 332 T N -2.144 112.507 114.554 0.162 0.000 3.223 332 T HA 0.268 4.579 4.350 -0.065 0.000 0.259 332 T C 1.128 175.968 174.700 0.235 0.000 1.015 332 T CA -0.411 61.816 62.100 0.210 0.000 0.908 332 T CB -0.608 68.427 68.868 0.278 0.000 1.054 332 T HN 0.155 nan 8.240 nan 0.000 0.567 333 L N 0.297 121.603 121.223 0.138 0.000 2.693 333 L HA 0.448 4.749 4.340 -0.065 0.000 0.235 333 L C 1.863 178.783 176.870 0.083 0.000 1.127 333 L CA 0.029 54.928 54.840 0.098 0.000 0.914 333 L CB -0.189 41.893 42.059 0.038 0.000 1.193 333 L HN 0.517 nan 8.230 nan 0.000 0.502 334 G N 0.694 109.539 108.800 0.075 0.000 2.198 334 G HA2 -0.220 3.701 3.960 -0.065 0.000 0.260 334 G HA3 -0.220 3.701 3.960 -0.065 0.000 0.260 334 G C 0.883 175.799 174.900 0.026 0.000 1.025 334 G CA 0.384 45.516 45.100 0.054 0.000 0.769 334 G HN 0.734 nan 8.290 nan 0.000 0.507 335 G N -1.963 106.851 108.800 0.023 0.000 2.165 335 G HA2 0.069 3.990 3.960 -0.065 0.000 0.226 335 G HA3 0.069 3.990 3.960 -0.065 0.000 0.226 335 G C 0.352 175.252 174.900 0.000 0.000 1.035 335 G CA 0.350 45.453 45.100 0.004 0.000 0.744 335 G HN 1.920 nan 8.290 nan 0.000 0.501 336 L N 0.645 121.882 121.223 0.023 0.000 2.499 336 L HA 0.580 4.881 4.340 -0.065 0.000 0.273 336 L C 0.225 177.106 176.870 0.018 0.000 1.195 336 L CA -0.007 54.854 54.840 0.034 0.000 0.882 336 L CB 1.240 43.349 42.059 0.085 0.000 1.133 336 L HN 0.227 nan 8.230 nan 0.000 0.483 337 V N 5.530 125.439 119.914 -0.010 0.000 2.443 337 V HA 0.856 4.937 4.120 -0.065 0.000 0.293 337 V C -0.013 176.047 176.094 -0.056 0.000 1.021 337 V CA -0.127 62.154 62.300 -0.032 0.000 0.848 337 V CB 0.908 32.691 31.823 -0.067 0.000 0.998 337 V HN 1.047 nan 8.190 nan 0.000 0.424 338 A N 3.608 126.399 122.820 -0.049 0.000 2.449 338 A HA 0.922 5.202 4.320 -0.065 0.000 0.302 338 A C -0.033 177.498 177.584 -0.088 0.000 1.048 338 A CA -0.376 51.600 52.037 -0.103 0.000 0.708 338 A CB 1.647 20.543 19.000 -0.174 0.000 1.274 338 A HN 1.435 nan 8.150 nan 0.000 0.410 339 A N 1.533 124.283 122.820 -0.117 0.000 2.484 339 A HA 0.562 4.842 4.320 -0.065 0.000 0.268 339 A C 0.922 178.379 177.584 -0.213 0.000 1.114 339 A CA 0.437 52.444 52.037 -0.050 0.000 0.780 339 A CB -0.599 18.435 19.000 0.057 0.000 1.061 339 A HN 2.224 nan 8.150 nan 0.000 0.505 340 A N 2.954 125.722 122.820 -0.086 0.000 2.409 340 A HA 0.461 4.741 4.320 -0.065 0.000 0.246 340 A C 0.395 177.822 177.584 -0.262 0.000 1.099 340 A CA 0.016 52.001 52.037 -0.087 0.000 0.789 340 A CB 0.137 19.177 19.000 0.066 0.000 1.053 340 A HN 0.803 nan 8.150 nan 0.000 0.503 341 E N 0.502 120.586 120.200 -0.194 0.000 3.117 341 E HA 0.177 4.487 4.350 -0.065 0.000 0.262 341 E C -2.234 174.377 176.600 0.017 0.000 1.202 341 E CA -1.408 54.887 56.400 -0.175 0.000 0.853 341 E CB 1.342 30.816 29.700 -0.377 0.000 1.426 341 E HN 0.492 nan 8.360 nan 0.000 0.387 342 P HA 0.003 nan 4.420 nan 0.000 0.227 342 P C 0.493 177.788 177.300 -0.007 0.000 1.161 342 P CA 0.505 63.617 63.100 0.021 0.000 0.788 342 P CB 0.730 32.440 31.700 0.018 0.000 0.822 343 G N -1.341 107.422 108.800 -0.060 0.000 2.695 343 G HA2 0.563 4.484 3.960 -0.065 0.000 0.290 343 G HA3 0.563 4.484 3.960 -0.065 0.000 0.290 343 G C -2.049 172.907 174.900 0.094 0.000 1.410 343 G CA -0.365 44.733 45.100 -0.004 0.000 0.844 343 G HN -0.118 nan 8.290 nan 0.000 0.478 344 V N -0.251 119.777 119.914 0.190 0.000 2.823 344 V HA 0.592 4.673 4.120 -0.065 0.000 0.296 344 V C -1.091 175.103 176.094 0.167 0.000 1.250 344 V CA -0.633 61.786 62.300 0.198 0.000 0.939 344 V CB 1.632 33.530 31.823 0.125 0.000 1.062 344 V HN 1.024 nan 8.190 nan 0.000 0.433 345 V N 5.057 125.001 119.914 0.049 0.000 2.789 345 V HA 1.009 5.090 4.120 -0.065 0.000 0.311 345 V C -0.433 175.612 176.094 -0.081 0.000 1.073 345 V CA 0.354 62.624 62.300 -0.051 0.000 0.921 345 V CB 2.481 34.161 31.823 -0.239 0.000 1.009 345 V HN 1.237 nan 8.190 nan 0.000 0.426 346 S N 4.577 120.300 115.700 0.040 0.000 2.638 346 S HA 0.790 5.221 4.470 -0.065 0.000 0.274 346 S C -1.599 173.131 174.600 0.216 0.000 1.157 346 S CA -0.747 57.512 58.200 0.099 0.000 0.826 346 S CB 1.821 65.101 63.200 0.134 0.000 1.139 346 S HN 1.228 nan 8.310 nan 0.000 0.474 347 W N 1.421 122.746 121.300 0.042 0.000 2.915 347 W HA 0.720 5.341 4.660 -0.066 0.000 0.337 347 W C -1.165 175.420 176.519 0.110 0.000 1.102 347 W CA 0.011 57.363 57.345 0.012 0.000 1.224 347 W CB 2.143 31.575 29.460 -0.046 0.000 1.416 347 W HN 1.173 nan 8.180 nan 0.000 0.503 348 S N 4.178 119.194 115.700 -1.139 0.000 2.533 348 S HA 0.619 5.050 4.470 -0.065 0.000 0.271 348 S C -3.092 170.489 174.600 -1.697 0.000 1.143 348 S CA -1.570 55.954 58.200 -1.126 0.000 0.891 348 S CB 2.142 65.186 63.200 -0.261 0.000 1.105 348 S HN 0.201 nan 8.310 nan 0.000 0.468 349 P HA 0.322 nan 4.420 nan 0.000 0.268 349 P C -0.227 176.777 177.300 -0.493 0.000 1.205 349 P CA -0.016 62.537 63.100 -0.913 0.000 0.771 349 P CB 0.178 31.548 31.700 -0.549 0.000 0.858 350 A N 3.645 126.285 122.820 -0.301 0.000 2.540 350 A HA 0.350 4.631 4.320 -0.065 0.000 0.239 350 A C 1.047 178.550 177.584 -0.136 0.000 1.061 350 A CA 0.473 52.400 52.037 -0.184 0.000 0.758 350 A CB -1.339 17.597 19.000 -0.107 0.000 0.991 350 A HN 0.841 nan 8.150 nan 0.000 0.502 351 A N 0.655 123.410 122.820 -0.108 0.000 2.739 351 A HA 0.160 4.441 4.320 -0.065 0.000 0.296 351 A C 0.749 178.283 177.584 -0.084 0.000 1.488 351 A CA 0.947 52.937 52.037 -0.078 0.000 0.746 351 A CB -1.998 16.969 19.000 -0.055 0.000 1.047 351 A HN 2.626 nan 8.150 nan 0.000 0.477 352 A N 0.049 122.805 122.820 -0.107 0.000 2.286 352 A HA 0.739 5.020 4.320 -0.065 0.000 0.286 352 A C 1.104 178.656 177.584 -0.054 0.000 1.097 352 A CA 0.286 52.271 52.037 -0.086 0.000 0.821 352 A CB 0.253 19.181 19.000 -0.118 0.000 1.076 352 A HN 2.208 nan 8.150 nan 0.000 0.490 353 G N 0.445 109.227 108.800 -0.031 0.000 2.414 353 G HA2 0.300 4.221 3.960 -0.065 0.000 0.236 353 G HA3 0.300 4.221 3.960 -0.065 0.000 0.236 353 G C 0.864 175.735 174.900 -0.049 0.000 1.293 353 G CA 0.462 45.541 45.100 -0.036 0.000 0.869 353 G HN 0.880 nan 8.290 nan 0.000 0.556 354 E N 2.193 122.339 120.200 -0.091 0.000 2.136 354 E HA -0.303 4.008 4.350 -0.065 0.000 0.202 354 E C 2.152 178.603 176.600 -0.248 0.000 1.019 354 E CA 1.445 57.741 56.400 -0.173 0.000 0.819 354 E CB -0.253 29.332 29.700 -0.191 0.000 0.739 354 E HN 0.525 nan 8.360 nan 0.000 0.458 355 L N 1.543 122.677 121.223 -0.148 0.000 2.068 355 L HA -0.125 4.176 4.340 -0.065 0.000 0.204 355 L C 2.056 178.979 176.870 0.088 0.000 1.076 355 L CA 1.798 56.593 54.840 -0.075 0.000 0.753 355 L CB -0.215 41.817 42.059 -0.044 0.000 0.910 355 L HN -0.085 nan 8.230 nan 0.000 0.439 356 D N -0.547 119.911 120.400 0.096 0.000 2.133 356 D HA -0.262 4.339 4.640 -0.065 0.000 0.192 356 D C 2.196 178.735 176.300 0.398 0.000 1.001 356 D CA 1.851 55.993 54.000 0.238 0.000 0.844 356 D CB -0.182 40.734 40.800 0.195 0.000 0.944 356 D HN 0.388 nan 8.370 nan 0.000 0.447 357 S N -0.676 115.156 115.700 0.220 0.000 2.382 357 S HA -0.167 4.264 4.470 -0.065 0.000 0.228 357 S C 1.797 176.556 174.600 0.265 0.000 1.027 357 S CA 0.976 59.285 58.200 0.182 0.000 0.991 357 S CB -0.296 62.919 63.200 0.024 0.000 0.823 357 S HN 0.382 nan 8.310 nan 0.000 0.469 358 H N -2.332 116.794 119.070 0.093 0.000 2.387 358 H HA -0.136 4.381 4.556 -0.066 0.000 0.299 358 H C 1.898 177.360 175.328 0.224 0.000 1.090 358 H CA 1.497 57.622 56.048 0.129 0.000 1.332 358 H CB -0.137 29.727 29.762 0.171 0.000 1.386 358 H HN 0.656 nan 8.280 nan 0.000 0.516 359 W N 0.695 122.122 121.300 0.212 0.000 2.453 359 W HA -0.092 4.528 4.660 -0.066 0.000 0.289 359 W C 1.552 178.118 176.519 0.077 0.000 1.215 359 W CA 0.617 58.025 57.345 0.105 0.000 1.297 359 W CB -0.414 29.061 29.460 0.024 0.000 1.113 359 W HN -0.068 nan 8.180 nan 0.000 0.551 360 F N 0.929 121.099 119.950 0.366 0.000 2.102 360 F HA -0.127 4.361 4.527 -0.064 0.000 0.298 360 F C 2.622 178.430 175.800 0.013 0.000 1.105 360 F CA 2.130 60.255 58.000 0.208 0.000 1.239 360 F CB -0.780 38.386 39.000 0.277 0.000 0.991 360 F HN -0.268 nan 8.300 nan 0.000 0.474 361 R N -0.224 120.401 120.500 0.208 0.000 2.096 361 R HA -0.181 4.120 4.340 -0.065 0.000 0.235 361 R C 2.112 178.404 176.300 -0.013 0.000 1.127 361 R CA 1.611 57.769 56.100 0.097 0.000 0.968 361 R CB -0.385 29.946 30.300 0.052 0.000 0.861 361 R HN 0.313 nan 8.270 nan 0.000 0.440 362 E N -0.046 120.114 120.200 -0.065 0.000 2.107 362 E HA -0.159 4.152 4.350 -0.065 0.000 0.191 362 E C 2.008 178.459 176.600 -0.247 0.000 0.982 362 E CA 0.847 57.163 56.400 -0.140 0.000 0.809 362 E CB 0.296 29.927 29.700 -0.116 0.000 0.756 362 E HN 0.186 nan 8.360 nan 0.000 0.459 363 Q N -0.681 118.873 119.800 -0.410 0.000 2.172 363 Q HA -0.081 4.220 4.340 -0.065 0.000 0.200 363 Q C 2.133 177.875 176.000 -0.431 0.000 0.964 363 Q CA 1.788 57.291 55.803 -0.500 0.000 0.855 363 Q CB -0.004 28.260 28.738 -0.791 0.000 0.918 363 Q HN 0.401 nan 8.270 nan 0.000 0.444 364 T N -3.171 111.183 114.554 -0.332 0.000 3.069 364 T HA 0.274 4.585 4.350 -0.065 0.000 0.252 364 T C 0.879 175.461 174.700 -0.195 0.000 1.053 364 T CA 0.129 62.041 62.100 -0.313 0.000 0.964 364 T CB 0.121 68.892 68.868 -0.161 0.000 1.005 364 T HN 0.116 nan 8.240 nan 0.000 0.532 365 G N 0.111 108.823 108.800 -0.147 0.000 2.398 365 G HA2 0.505 4.426 3.960 -0.065 0.000 0.246 365 G HA3 0.505 4.426 3.960 -0.065 0.000 0.246 365 G C 0.011 174.843 174.900 -0.115 0.000 1.289 365 G CA -0.212 44.825 45.100 -0.106 0.000 0.869 365 G HN 0.636 nan 8.290 nan 0.000 0.543 366 G N 0.636 109.351 108.800 -0.142 0.000 2.701 366 G HA2 0.564 4.485 3.960 -0.065 0.000 0.300 366 G HA3 0.564 4.485 3.960 -0.065 0.000 0.300 366 G C -0.823 174.184 174.900 0.179 0.000 1.410 366 G CA -0.731 44.330 45.100 -0.065 0.000 1.014 366 G HN 0.667 nan 8.290 nan 0.000 0.509 367 I N 1.156 121.905 120.570 0.297 0.000 2.525 367 I HA 0.413 4.544 4.170 -0.065 0.000 0.301 367 I C -0.197 176.053 176.117 0.223 0.000 0.992 367 I CA -0.872 60.596 61.300 0.279 0.000 1.162 367 I CB 2.180 40.253 38.000 0.122 0.000 1.332 367 I HN 0.107 nan 8.210 nan 0.000 0.458 368 L N 5.486 126.700 121.223 -0.015 0.000 2.264 368 L HA 0.511 4.811 4.340 -0.065 0.000 0.289 368 L C 0.054 176.861 176.870 -0.105 0.000 1.044 368 L CA -0.424 54.259 54.840 -0.262 0.000 0.807 368 L CB 1.047 42.634 42.059 -0.788 0.000 1.192 368 L HN 0.582 nan 8.230 nan 0.000 0.425 369 R N 2.830 123.360 120.500 0.050 0.000 2.540 369 R HA 0.218 4.519 4.340 -0.065 0.000 0.287 369 R C -0.073 176.403 176.300 0.293 0.000 0.980 369 R CA -0.636 55.513 56.100 0.081 0.000 0.966 369 R CB 1.349 31.655 30.300 0.009 0.000 1.106 369 R HN 0.608 nan 8.270 nan 0.000 0.480 370 E N 2.839 123.173 120.200 0.223 0.000 2.415 370 E HA -0.126 4.185 4.350 -0.065 0.000 0.263 370 E C -0.774 175.933 176.600 0.178 0.000 0.995 370 E CA -0.132 56.389 56.400 0.201 0.000 0.915 370 E CB 0.552 30.330 29.700 0.129 0.000 0.951 370 E HN 0.412 nan 8.360 nan 0.000 0.449 371 N N 5.285 123.947 118.700 -0.063 0.000 2.508 371 N HA -0.039 4.662 4.740 -0.065 0.000 0.253 371 N C 0.377 175.726 175.510 -0.269 0.000 1.145 371 N CA -0.303 52.565 53.050 -0.304 0.000 0.973 371 N CB -0.408 37.766 38.487 -0.521 0.000 1.305 371 N HN 0.523 nan 8.380 nan 0.000 0.506 372 F N 0.299 120.299 119.950 0.084 0.000 2.494 372 F HA -0.019 4.468 4.527 -0.066 0.000 0.298 372 F C 1.868 177.636 175.800 -0.055 0.000 1.106 372 F CA -0.285 57.710 58.000 -0.009 0.000 1.452 372 F CB -0.929 38.061 39.000 -0.018 0.000 1.085 372 F HN 0.283 nan 8.300 nan 0.000 0.569 373 C N 1.086 120.295 119.300 -0.152 0.000 2.432 373 C HA -0.062 4.359 4.460 -0.065 0.000 0.280 373 C C 2.779 177.761 174.990 -0.013 0.000 1.353 373 C CA 0.515 59.514 59.018 -0.031 0.000 1.766 373 C CB -1.229 26.462 27.740 -0.083 0.000 1.924 373 C HN 0.500 nan 8.230 nan 0.000 0.509 374 R N 0.254 120.713 120.500 -0.069 0.000 2.193 374 R HA -0.084 4.217 4.340 -0.065 0.000 0.229 374 R C 2.356 178.640 176.300 -0.026 0.000 1.110 374 R CA 0.812 56.873 56.100 -0.066 0.000 0.988 374 R CB -0.217 30.009 30.300 -0.123 0.000 0.871 374 R HN 0.518 nan 8.270 nan 0.000 0.458 375 R N 0.004 120.507 120.500 0.006 0.000 2.250 375 R HA -0.004 4.297 4.340 -0.065 0.000 0.194 375 R C 1.413 177.733 176.300 0.033 0.000 0.927 375 R CA 1.467 57.579 56.100 0.020 0.000 1.052 375 R CB 0.551 30.875 30.300 0.041 0.000 1.055 375 R HN 0.267 nan 8.270 nan 0.000 0.537 376 T N -3.919 110.671 114.554 0.060 0.000 2.964 376 T HA 0.262 4.573 4.350 -0.065 0.000 0.250 376 T C 0.601 175.327 174.700 0.044 0.000 0.982 376 T CA 0.450 62.582 62.100 0.054 0.000 0.959 376 T CB 0.936 69.859 68.868 0.092 0.000 1.141 376 T HN 0.268 nan 8.240 nan 0.000 0.494 377 G N 0.898 109.732 108.800 0.057 0.000 3.307 377 G HA2 0.262 4.183 3.960 -0.065 0.000 0.686 377 G HA3 0.262 4.183 3.960 -0.065 0.000 0.686 377 G C 0.616 175.572 174.900 0.094 0.000 0.983 377 G CA -0.457 44.676 45.100 0.055 0.000 0.804 377 G HN 0.974 nan 8.290 nan 0.000 0.531 378 A N 1.538 124.432 122.820 0.124 0.000 2.172 378 A HA 0.210 4.491 4.320 -0.065 0.000 0.216 378 A C 1.886 179.615 177.584 0.241 0.000 1.154 378 A CA 2.058 54.213 52.037 0.197 0.000 0.701 378 A CB -0.037 19.094 19.000 0.219 0.000 0.789 378 A HN 1.390 nan 8.150 nan 0.000 0.465 379 E N -0.325 119.987 120.200 0.187 0.000 2.548 379 E HA 0.104 4.415 4.350 -0.065 0.000 0.206 379 E C 0.707 177.362 176.600 0.091 0.000 1.005 379 E CA -0.079 56.431 56.400 0.184 0.000 0.951 379 E CB -0.244 29.578 29.700 0.204 0.000 1.035 379 E HN 0.601 nan 8.360 nan 0.000 0.470 380 R N 0.006 120.524 120.500 0.029 0.000 2.508 380 R HA 0.309 4.610 4.340 -0.065 0.000 0.300 380 R C -0.256 176.052 176.300 0.013 0.000 0.970 380 R CA -0.030 55.955 56.100 -0.191 0.000 1.102 380 R CB 0.959 31.121 30.300 -0.229 0.000 1.246 380 R HN -0.095 nan 8.270 nan 0.000 0.539 381 S N 1.246 117.058 115.700 0.187 0.000 2.707 381 S HA 0.491 4.922 4.470 -0.065 0.000 0.312 381 S C -0.591 174.205 174.600 0.327 0.000 1.116 381 S CA -0.580 57.769 58.200 0.249 0.000 1.078 381 S CB 1.415 64.768 63.200 0.254 0.000 0.997 381 S HN 0.090 nan 8.310 nan 0.000 0.477 382 I N 3.122 123.830 120.570 0.231 0.000 2.418 382 I HA 0.332 4.462 4.170 -0.065 0.000 0.287 382 I C 0.172 176.335 176.117 0.076 0.000 1.008 382 I CA -0.578 60.783 61.300 0.102 0.000 1.104 382 I CB 1.524 39.480 38.000 -0.072 0.000 1.264 382 I HN 0.442 nan 8.210 nan 0.000 0.438 383 M N 4.630 124.267 119.600 0.061 0.000 2.255 383 M HA -0.019 4.422 4.480 -0.065 0.000 0.356 383 M C 1.232 177.498 176.300 -0.057 0.000 1.338 383 M CA 0.515 55.832 55.300 0.028 0.000 0.962 383 M CB 1.005 33.579 32.600 -0.043 0.000 1.877 383 M HN 0.913 nan 8.290 nan 0.000 0.463 384 A N 5.017 127.831 122.820 -0.010 0.000 2.015 384 A HA -0.007 4.273 4.320 -0.065 0.000 0.219 384 A C 1.789 179.338 177.584 -0.058 0.000 1.163 384 A CA 1.761 53.788 52.037 -0.016 0.000 0.646 384 A CB -0.928 18.148 19.000 0.127 0.000 0.806 384 A HN 1.023 nan 8.150 nan 0.000 0.448 385 G N -0.567 108.191 108.800 -0.070 0.000 2.414 385 G HA2 -0.142 3.779 3.960 -0.065 0.000 0.215 385 G HA3 -0.142 3.779 3.960 -0.065 0.000 0.215 385 G C 1.586 176.420 174.900 -0.109 0.000 1.188 385 G CA 1.601 46.658 45.100 -0.072 0.000 0.783 385 G HN 0.431 nan 8.290 nan 0.000 0.537 386 T N 1.541 115.989 114.554 -0.176 0.000 2.699 386 T HA -0.185 4.126 4.350 -0.065 0.000 0.268 386 T C 2.248 176.774 174.700 -0.289 0.000 1.036 386 T CA 1.243 63.197 62.100 -0.244 0.000 1.147 386 T CB -0.321 68.361 68.868 -0.310 0.000 0.862 386 T HN 0.108 nan 8.240 nan 0.000 0.446 387 L N 0.540 121.526 121.223 -0.395 0.000 2.043 387 L HA -0.041 4.260 4.340 -0.065 0.000 0.212 387 L C 1.337 177.789 176.870 -0.698 0.000 1.075 387 L CA 1.803 56.240 54.840 -0.673 0.000 0.752 387 L CB -0.687 40.812 42.059 -0.932 0.000 0.891 387 L HN 0.247 nan 8.230 nan 0.000 0.432 388 F N -0.654 119.218 119.950 -0.130 0.000 2.664 388 F HA 0.485 4.973 4.527 -0.066 0.000 0.303 388 F C 1.182 176.950 175.800 -0.054 0.000 1.092 388 F CA -0.147 57.794 58.000 -0.098 0.000 1.305 388 F CB -1.112 37.832 39.000 -0.094 0.000 1.054 388 F HN 0.043 nan 8.300 nan 0.000 0.565 389 A N 0.758 123.606 122.820 0.047 0.000 2.249 389 A HA 0.681 4.962 4.320 -0.065 0.000 0.281 389 A C 0.531 178.189 177.584 0.123 0.000 1.127 389 A CA -0.598 51.494 52.037 0.090 0.000 0.833 389 A CB 0.626 19.663 19.000 0.063 0.000 1.140 389 A HN 0.069 nan 8.150 nan 0.000 0.502 390 R N -0.309 120.327 120.500 0.226 0.000 2.540 390 R HA 0.467 4.768 4.340 -0.065 0.000 0.287 390 R C 0.618 177.181 176.300 0.439 0.000 0.980 390 R CA 0.088 56.337 56.100 0.249 0.000 0.966 390 R CB 0.945 31.336 30.300 0.152 0.000 1.106 390 R HN 0.856 nan 8.270 nan 0.000 0.480 391 G N -0.233 108.774 108.800 0.345 0.000 2.516 391 G HA2 0.185 4.106 3.960 -0.065 0.000 0.276 391 G HA3 0.185 4.106 3.960 -0.065 0.000 0.276 391 G C 1.032 176.234 174.900 0.504 0.000 1.390 391 G CA -0.131 45.223 45.100 0.425 0.000 1.050 391 G HN 0.384 nan 8.290 nan 0.000 0.519 392 V N -1.566 118.518 119.914 0.283 0.000 3.078 392 V HA -0.012 4.069 4.120 -0.065 0.000 0.265 392 V C 1.545 177.701 176.094 0.104 0.000 1.122 392 V CA 2.081 64.409 62.300 0.047 0.000 1.141 392 V CB -0.561 31.105 31.823 -0.261 0.000 0.735 392 V HN 0.638 nan 8.190 nan 0.000 0.498 393 D N -0.387 120.085 120.400 0.120 0.000 2.340 393 D HA 0.061 4.662 4.640 -0.065 0.000 0.217 393 D C 1.219 177.569 176.300 0.084 0.000 1.081 393 D CA -0.274 53.772 54.000 0.075 0.000 0.842 393 D CB -0.045 40.785 40.800 0.050 0.000 0.934 393 D HN 0.430 nan 8.370 nan 0.000 0.511 394 L N -1.169 120.134 121.223 0.134 0.000 4.625 394 L HA -0.240 4.060 4.340 -0.065 0.000 0.428 394 L C -0.277 176.638 176.870 0.075 0.000 1.129 394 L CA 0.741 55.624 54.840 0.072 0.000 0.978 394 L CB -0.940 41.119 42.059 0.001 0.000 2.043 394 L HN 0.227 nan 8.230 nan 0.000 0.847 395 Q N 0.372 120.223 119.800 0.086 0.000 2.259 395 Q HA 0.368 4.669 4.340 -0.065 0.000 0.249 395 Q C -2.079 173.971 176.000 0.082 0.000 0.914 395 Q CA -1.898 53.940 55.803 0.059 0.000 0.904 395 Q CB 0.812 29.571 28.738 0.035 0.000 1.213 395 Q HN -0.025 nan 8.270 nan 0.000 0.428 396 P HA 0.079 nan 4.420 nan 0.000 0.266 396 P C 0.360 177.685 177.300 0.042 0.000 1.215 396 P CA 0.356 63.502 63.100 0.077 0.000 0.763 396 P CB 0.355 32.104 31.700 0.081 0.000 0.806 397 M N 2.995 122.616 119.600 0.036 0.000 2.358 397 M HA -0.135 4.306 4.480 -0.065 0.000 0.264 397 M C 1.726 178.013 176.300 -0.022 0.000 1.064 397 M CA 1.308 56.614 55.300 0.010 0.000 1.093 397 M CB -0.522 32.067 32.600 -0.017 0.000 1.401 397 M HN 0.331 nan 8.290 nan 0.000 0.440 398 I N 0.732 121.264 120.570 -0.063 0.000 2.264 398 I HA -0.305 3.826 4.170 -0.065 0.000 0.248 398 I C 2.386 178.488 176.117 -0.025 0.000 1.111 398 I CA 1.725 62.965 61.300 -0.101 0.000 1.382 398 I CB -0.261 37.661 38.000 -0.130 0.000 1.060 398 I HN 0.283 nan 8.210 nan 0.000 0.418 399 Q N 0.053 119.837 119.800 -0.028 0.000 2.030 399 Q HA -0.209 4.092 4.340 -0.065 0.000 0.204 399 Q C 2.395 178.382 176.000 -0.022 0.000 0.986 399 Q CA 2.661 58.439 55.803 -0.041 0.000 0.843 399 Q CB -1.253 27.461 28.738 -0.040 0.000 0.904 399 Q HN 0.725 nan 8.270 nan 0.000 0.420 400 T N -1.860 112.699 114.554 0.008 0.000 2.942 400 T HA -0.077 4.234 4.350 -0.065 0.000 0.265 400 T C 1.739 176.447 174.700 0.014 0.000 1.062 400 T CA 0.728 62.830 62.100 0.003 0.000 1.139 400 T CB -0.592 68.279 68.868 0.006 0.000 0.883 400 T HN 0.234 nan 8.240 nan 0.000 0.468 401 F N 1.889 121.781 119.950 -0.098 0.000 2.216 401 F HA 0.108 4.596 4.527 -0.064 0.000 0.300 401 F C 1.805 177.581 175.800 -0.040 0.000 1.085 401 F CA 0.988 58.932 58.000 -0.094 0.000 1.326 401 F CB -0.317 38.632 39.000 -0.086 0.000 1.027 401 F HN 0.080 nan 8.300 nan 0.000 0.497 402 L N 0.002 121.207 121.223 -0.030 0.000 2.044 402 L HA -0.122 4.179 4.340 -0.065 0.000 0.205 402 L C 2.735 179.559 176.870 -0.077 0.000 1.075 402 L CA 1.302 56.066 54.840 -0.126 0.000 0.747 402 L CB -0.714 41.245 42.059 -0.166 0.000 0.903 402 L HN 0.068 nan 8.230 nan 0.000 0.435 403 R N 0.083 120.540 120.500 -0.073 0.000 2.113 403 R HA -0.230 4.071 4.340 -0.065 0.000 0.244 403 R C 2.354 178.619 176.300 -0.057 0.000 1.142 403 R CA 2.339 58.411 56.100 -0.045 0.000 0.953 403 R CB -0.332 29.938 30.300 -0.050 0.000 0.860 403 R HN 0.494 nan 8.270 nan 0.000 0.438 404 T N -2.387 112.072 114.554 -0.158 0.000 3.023 404 T HA -0.059 4.252 4.350 -0.065 0.000 0.266 404 T C 1.581 176.135 174.700 -0.243 0.000 1.093 404 T CA 0.797 62.772 62.100 -0.207 0.000 1.129 404 T CB -0.178 68.526 68.868 -0.274 0.000 0.899 404 T HN 0.335 nan 8.240 nan 0.000 0.491 405 H N -0.965 117.999 119.070 -0.178 0.000 2.431 405 H HA 0.165 4.682 4.556 -0.066 0.000 0.295 405 H C 1.767 177.067 175.328 -0.045 0.000 1.038 405 H CA 1.131 57.084 56.048 -0.159 0.000 1.360 405 H CB -0.375 29.203 29.762 -0.305 0.000 1.433 405 H HN 0.468 nan 8.280 nan 0.000 0.536 406 Y N 0.698 121.004 120.300 0.010 0.000 2.263 406 Y HA -0.000 4.511 4.550 -0.065 0.000 0.292 406 Y C 1.767 177.666 175.900 -0.002 0.000 1.130 406 Y CA 1.565 59.672 58.100 0.013 0.000 1.179 406 Y CB 0.182 38.645 38.460 0.004 0.000 0.998 406 Y HN 0.387 nan 8.280 nan 0.000 0.532 407 G N -0.168 108.719 108.800 0.144 0.000 2.179 407 G HA2 -0.213 3.708 3.960 -0.065 0.000 0.220 407 G HA3 -0.213 3.708 3.960 -0.065 0.000 0.220 407 G C -0.051 174.913 174.900 0.106 0.000 0.990 407 G CA 0.226 45.366 45.100 0.067 0.000 0.646 407 G HN 0.581 nan 8.290 nan 0.000 0.517 408 E N -1.551 118.766 120.200 0.194 0.000 2.429 408 E HA 0.656 4.967 4.350 -0.065 0.000 0.277 408 E C 0.116 176.754 176.600 0.064 0.000 1.130 408 E CA -0.699 55.771 56.400 0.117 0.000 0.875 408 E CB 0.120 29.888 29.700 0.114 0.000 1.443 408 E HN 1.509 nan 8.360 nan 0.000 0.444 409 A N 0.751 123.571 122.820 0.000 0.000 2.587 409 A HA 0.267 4.548 4.320 -0.065 0.000 0.235 409 A C -0.381 177.108 177.584 -0.157 0.000 1.044 409 A CA 0.134 52.134 52.037 -0.062 0.000 0.754 409 A CB -0.344 18.629 19.000 -0.045 0.000 0.968 409 A HN 0.363 nan 8.150 nan 0.000 0.509 410 L N 3.596 124.674 121.223 -0.242 0.000 2.292 410 L HA 0.292 4.593 4.340 -0.065 0.000 0.284 410 L C 0.579 177.321 176.870 -0.212 0.000 1.065 410 L CA -0.239 54.362 54.840 -0.397 0.000 0.806 410 L CB 1.156 42.968 42.059 -0.412 0.000 1.175 410 L HN 0.822 nan 8.230 nan 0.000 0.431 411 D N 1.060 121.355 120.400 -0.174 0.000 2.383 411 D HA 0.041 4.642 4.640 -0.065 0.000 0.248 411 D C 0.263 176.541 176.300 -0.037 0.000 1.170 411 D CA -0.516 53.442 54.000 -0.069 0.000 0.977 411 D CB 0.836 41.623 40.800 -0.021 0.000 1.120 411 D HN 0.401 nan 8.370 nan 0.000 0.481 412 D N 0.133 120.529 120.400 -0.006 0.000 2.133 412 D HA -0.198 4.403 4.640 -0.065 0.000 0.192 412 D C 1.283 177.618 176.300 0.059 0.000 1.001 412 D CA 1.464 55.470 54.000 0.011 0.000 0.844 412 D CB -0.369 40.437 40.800 0.009 0.000 0.944 412 D HN 0.432 nan 8.370 nan 0.000 0.447 413 N N 0.181 118.946 118.700 0.108 0.000 2.520 413 N HA -0.017 4.683 4.740 -0.065 0.000 0.185 413 N C 1.369 177.127 175.510 0.414 0.000 1.068 413 N CA 0.775 53.969 53.050 0.239 0.000 0.911 413 N CB -0.042 38.628 38.487 0.305 0.000 0.961 413 N HN 0.166 nan 8.380 nan 0.000 0.446 414 A N -0.041 122.906 122.820 0.211 0.000 1.984 414 A HA 0.148 4.429 4.320 -0.065 0.000 0.214 414 A C 2.010 179.743 177.584 0.248 0.000 1.173 414 A CA 0.316 52.479 52.037 0.209 0.000 0.673 414 A CB -0.291 18.622 19.000 -0.144 0.000 0.830 414 A HN 0.163 nan 8.150 nan 0.000 0.453 415 L N -0.444 120.862 121.223 0.137 0.000 2.046 415 L HA -0.157 4.144 4.340 -0.065 0.000 0.208 415 L C 2.469 179.502 176.870 0.271 0.000 1.077 415 L CA 1.036 55.971 54.840 0.159 0.000 0.747 415 L CB -0.550 41.529 42.059 0.034 0.000 0.896 415 L HN 0.350 nan 8.230 nan 0.000 0.432 416 L N -1.826 119.511 121.223 0.191 0.000 2.056 416 L HA -0.231 4.070 4.340 -0.065 0.000 0.207 416 L C 2.521 179.504 176.870 0.188 0.000 1.078 416 L CA 1.373 56.305 54.840 0.154 0.000 0.749 416 L CB -0.593 41.466 42.059 -0.000 0.000 0.901 416 L HN 0.139 nan 8.230 nan 0.000 0.433 417 Y N -1.674 118.759 120.300 0.222 0.000 2.224 417 Y HA -0.308 4.203 4.550 -0.065 0.000 0.289 417 Y C 2.380 178.426 175.900 0.244 0.000 1.146 417 Y CA 1.849 60.071 58.100 0.202 0.000 1.182 417 Y CB -0.365 38.206 38.460 0.185 0.000 0.983 417 Y HN 0.198 nan 8.280 nan 0.000 0.524 418 W N -0.410 121.077 121.300 0.311 0.000 2.378 418 W HA -0.243 4.377 4.660 -0.066 0.000 0.313 418 W C 2.357 179.040 176.519 0.272 0.000 1.197 418 W CA 1.717 59.223 57.345 0.269 0.000 1.304 418 W CB -0.815 28.793 29.460 0.247 0.000 1.148 418 W HN 0.097 nan 8.180 nan 0.000 0.494 419 F N 1.601 121.871 119.950 0.534 0.000 2.063 419 F HA -0.360 4.127 4.527 -0.066 0.000 0.298 419 F C 2.187 178.070 175.800 0.139 0.000 1.109 419 F CA 2.596 60.797 58.000 0.336 0.000 1.212 419 F CB -0.805 38.311 39.000 0.193 0.000 0.973 419 F HN -0.118 nan 8.300 nan 0.000 0.480 420 D N 0.323 120.731 120.400 0.014 0.000 2.106 420 D HA -0.229 4.372 4.640 -0.065 0.000 0.191 420 D C 1.823 178.003 176.300 -0.200 0.000 0.997 420 D CA 1.955 55.873 54.000 -0.137 0.000 0.834 420 D CB -0.444 40.356 40.800 -0.001 0.000 0.956 420 D HN 0.305 nan 8.370 nan 0.000 0.448 421 D N -1.302 119.015 120.400 -0.138 0.000 2.116 421 D HA -0.202 4.399 4.640 -0.065 0.000 0.193 421 D C 1.771 177.890 176.300 -0.302 0.000 0.998 421 D CA 0.892 54.775 54.000 -0.196 0.000 0.836 421 D CB -0.496 40.179 40.800 -0.209 0.000 0.951 421 D HN 0.353 nan 8.370 nan 0.000 0.449 422 Y N 1.460 121.451 120.300 -0.515 0.000 2.089 422 Y HA -0.279 4.232 4.550 -0.066 0.000 0.282 422 Y C 2.438 178.111 175.900 -0.379 0.000 1.139 422 Y CA 2.424 60.236 58.100 -0.480 0.000 1.123 422 Y CB -0.462 37.693 38.460 -0.510 0.000 0.980 422 Y HN 0.008 nan 8.280 nan 0.000 0.493 423 Q N -1.351 118.221 119.800 -0.380 0.000 2.226 423 Q HA -0.113 4.188 4.340 -0.065 0.000 0.204 423 Q C 1.791 177.608 176.000 -0.306 0.000 0.975 423 Q CA 2.107 57.672 55.803 -0.397 0.000 0.866 423 Q CB -1.038 27.291 28.738 -0.682 0.000 0.915 423 Q HN 0.293 nan 8.270 nan 0.000 0.440 424 T N 0.621 115.004 114.554 -0.284 0.000 2.777 424 T HA -0.033 4.278 4.350 -0.065 0.000 0.266 424 T C 1.519 176.103 174.700 -0.193 0.000 1.040 424 T CA 1.369 63.360 62.100 -0.182 0.000 1.141 424 T CB -0.096 68.687 68.868 -0.141 0.000 0.868 424 T HN 0.335 nan 8.240 nan 0.000 0.444 425 R N 0.168 120.502 120.500 -0.276 0.000 2.280 425 R HA 0.146 4.447 4.340 -0.065 0.000 0.207 425 R C 1.926 178.053 176.300 -0.289 0.000 1.043 425 R CA 0.361 56.300 56.100 -0.268 0.000 1.006 425 R CB -0.113 30.002 30.300 -0.309 0.000 0.885 425 R HN 0.233 nan 8.270 nan 0.000 0.467 426 L N -0.412 120.607 121.223 -0.340 0.000 2.269 426 L HA 0.111 4.412 4.340 -0.065 0.000 0.200 426 L C 1.570 178.321 176.870 -0.199 0.000 1.069 426 L CA 1.311 55.958 54.840 -0.322 0.000 0.804 426 L CB -0.064 41.720 42.059 -0.459 0.000 0.987 426 L HN 0.037 nan 8.230 nan 0.000 0.468 427 L N -0.533 120.600 121.223 -0.150 0.000 2.093 427 L HA -0.114 4.187 4.340 -0.065 0.000 0.208 427 L C 2.776 179.656 176.870 0.017 0.000 1.085 427 L CA 1.145 55.961 54.840 -0.040 0.000 0.755 427 L CB -0.554 41.523 42.059 0.031 0.000 0.904 427 L HN 0.261 nan 8.230 nan 0.000 0.435 428 R N 0.104 120.597 120.500 -0.011 0.000 2.070 428 R HA -0.144 4.157 4.340 -0.065 0.000 0.233 428 R C -0.295 176.033 176.300 0.047 0.000 1.137 428 R CA 1.780 57.895 56.100 0.025 0.000 0.945 428 R CB -1.053 29.247 30.300 -0.002 0.000 0.845 428 R HN 0.255 nan 8.270 nan 0.000 0.430 429 P HA -0.079 nan 4.420 nan 0.000 0.217 429 P C 1.370 178.712 177.300 0.070 0.000 1.151 429 P CA 0.986 64.111 63.100 0.043 0.000 0.828 429 P CB 0.036 31.744 31.700 0.012 0.000 0.788 430 V N -0.126 119.813 119.914 0.042 0.000 2.237 430 V HA -0.223 3.858 4.120 -0.065 0.000 0.245 430 V C 2.497 178.667 176.094 0.126 0.000 1.046 430 V CA 1.743 64.074 62.300 0.052 0.000 1.007 430 V CB -1.480 30.328 31.823 -0.025 0.000 0.638 430 V HN 0.024 nan 8.190 nan 0.000 0.445 431 L N -0.018 121.314 121.223 0.182 0.000 2.141 431 L HA -0.124 4.177 4.340 -0.065 0.000 0.209 431 L C 2.626 179.701 176.870 0.342 0.000 1.094 431 L CA 1.368 56.406 54.840 0.330 0.000 0.763 431 L CB -0.681 41.646 42.059 0.446 0.000 0.908 431 L HN 0.286 nan 8.230 nan 0.000 0.437 432 S N 0.236 116.078 115.700 0.236 0.000 2.368 432 S HA -0.148 4.283 4.470 -0.065 0.000 0.225 432 S C 1.986 176.712 174.600 0.211 0.000 1.030 432 S CA 1.264 59.591 58.200 0.211 0.000 0.999 432 S CB -0.285 63.009 63.200 0.158 0.000 0.844 432 S HN 0.298 nan 8.310 nan 0.000 0.459 433 L N -0.371 120.964 121.223 0.186 0.000 2.141 433 L HA -0.035 4.266 4.340 -0.065 0.000 0.209 433 L C 2.115 179.071 176.870 0.142 0.000 1.094 433 L CA 1.152 56.092 54.840 0.167 0.000 0.763 433 L CB -0.264 41.858 42.059 0.107 0.000 0.908 433 L HN 0.316 nan 8.230 nan 0.000 0.437 434 F N -0.848 119.065 119.950 -0.061 0.000 2.270 434 F HA -0.119 4.370 4.527 -0.064 0.000 0.295 434 F C 1.852 177.478 175.800 -0.289 0.000 1.087 434 F CA 1.139 59.010 58.000 -0.214 0.000 1.365 434 F CB 0.071 38.871 39.000 -0.333 0.000 1.056 434 F HN -0.105 nan 8.300 nan 0.000 0.506 435 F N 0.167 120.113 119.950 -0.007 0.000 2.473 435 F HA 0.058 4.546 4.527 -0.065 0.000 0.294 435 F C 1.901 177.577 175.800 -0.207 0.000 1.103 435 F CA 0.415 58.314 58.000 -0.167 0.000 1.442 435 F CB -0.747 38.222 39.000 -0.052 0.000 1.097 435 F HN -0.059 nan 8.300 nan 0.000 0.547 436 N N -1.282 117.393 118.700 -0.042 0.000 2.368 436 N HA -0.036 4.665 4.740 -0.065 0.000 0.176 436 N C 1.180 176.291 175.510 -0.666 0.000 1.021 436 N CA 1.061 53.898 53.050 -0.355 0.000 0.888 436 N CB -0.113 38.144 38.487 -0.384 0.000 0.995 436 N HN 0.341 nan 8.380 nan 0.000 0.437 437 H N -2.241 116.801 119.070 -0.047 0.000 3.535 437 H HA 0.268 4.785 4.556 -0.066 0.000 0.260 437 H C 0.686 176.012 175.328 -0.003 0.000 1.173 437 H CA 0.594 56.642 56.048 0.001 0.000 1.168 437 H CB 1.100 30.821 29.762 -0.069 0.000 1.568 437 H HN 0.168 nan 8.280 nan 0.000 0.602 438 G N 1.970 110.729 108.800 -0.068 0.000 2.160 438 G HA2 -0.283 3.637 3.960 -0.065 0.000 0.251 438 G HA3 -0.283 3.637 3.960 -0.065 0.000 0.251 438 G C 0.178 175.070 174.900 -0.013 0.000 1.008 438 G CA 0.494 45.504 45.100 -0.149 0.000 0.724 438 G HN 0.199 nan 8.290 nan 0.000 0.514 439 V N 0.378 120.306 119.914 0.024 0.000 2.498 439 V HA 0.491 4.572 4.120 -0.065 0.000 0.279 439 V C 0.690 176.870 176.094 0.143 0.000 1.048 439 V CA -0.459 61.846 62.300 0.009 0.000 0.967 439 V CB 1.869 33.598 31.823 -0.157 0.000 0.988 439 V HN 0.280 nan 8.190 nan 0.000 0.473 440 V N 6.361 126.347 119.914 0.120 0.000 2.275 440 V HA 0.334 4.415 4.120 -0.065 0.000 0.272 440 V C 0.383 176.506 176.094 0.048 0.000 1.028 440 V CA -0.652 61.727 62.300 0.132 0.000 0.810 440 V CB 0.975 32.861 31.823 0.104 0.000 1.043 440 V HN 0.731 nan 8.190 nan 0.000 0.453 441 M N 2.594 122.232 119.600 0.063 0.000 2.043 441 M HA 0.282 4.723 4.480 -0.065 0.000 0.272 441 M C 0.530 176.824 176.300 -0.011 0.000 1.279 441 M CA 0.409 55.738 55.300 0.048 0.000 1.109 441 M CB -0.184 32.446 32.600 0.050 0.000 1.377 441 M HN 0.703 nan 8.290 nan 0.000 0.469 442 E N 2.054 122.229 120.200 -0.042 0.000 2.873 442 E HA 0.297 4.608 4.350 -0.065 0.000 0.232 442 E C -2.304 174.183 176.600 -0.189 0.000 1.123 442 E CA -1.509 54.842 56.400 -0.081 0.000 0.809 442 E CB 0.917 30.580 29.700 -0.061 0.000 1.366 442 E HN 0.204 nan 8.360 nan 0.000 0.400 443 P HA 0.122 nan 4.420 nan 0.000 0.212 443 P C -0.679 176.671 177.300 0.083 0.000 1.816 443 P CA -0.270 62.798 63.100 -0.054 0.000 0.944 443 P CB -0.618 31.051 31.700 -0.052 0.000 1.896 444 H N -1.021 118.078 119.070 0.048 0.000 2.548 444 H HA 0.199 4.717 4.556 -0.063 0.000 0.366 444 H C 1.284 176.576 175.328 -0.059 0.000 1.433 444 H CA -0.745 55.294 56.048 -0.014 0.000 1.443 444 H CB -0.151 29.604 29.762 -0.011 0.000 1.594 444 H HN -0.107 nan 8.280 nan 0.000 0.608 445 L N -1.268 120.011 121.223 0.092 0.000 2.201 445 L HA -0.101 4.200 4.340 -0.065 0.000 0.212 445 L C 2.404 179.302 176.870 0.047 0.000 1.105 445 L CA 1.261 56.021 54.840 -0.133 0.000 0.775 445 L CB -0.285 41.664 42.059 -0.184 0.000 0.913 445 L HN 0.700 nan 8.230 nan 0.000 0.440 446 Q N -0.200 119.763 119.800 0.272 0.000 2.408 446 Q HA -0.032 4.269 4.340 -0.065 0.000 0.205 446 Q C 0.943 177.073 176.000 0.216 0.000 0.919 446 Q CA 0.572 56.496 55.803 0.201 0.000 0.932 446 Q CB 0.311 29.108 28.738 0.098 0.000 1.058 446 Q HN 0.460 nan 8.270 nan 0.000 0.517 447 N N -0.131 118.645 118.700 0.126 0.000 2.280 447 N HA 0.070 4.771 4.740 -0.065 0.000 0.192 447 N C -0.588 174.892 175.510 -0.051 0.000 1.109 447 N CA 0.105 53.105 53.050 -0.082 0.000 0.855 447 N CB 0.765 39.048 38.487 -0.340 0.000 0.974 447 N HN -0.059 nan 8.380 nan 0.000 0.482 448 S N 0.017 115.728 115.700 0.018 0.000 2.472 448 S HA 0.574 5.005 4.470 -0.065 0.000 0.303 448 S C -0.212 174.403 174.600 0.026 0.000 1.099 448 S CA -0.656 57.569 58.200 0.042 0.000 1.077 448 S CB 2.720 66.053 63.200 0.221 0.000 1.031 448 S HN -0.201 nan 8.310 nan 0.000 0.487 449 V N 3.641 123.528 119.914 -0.045 0.000 2.443 449 V HA 0.367 4.448 4.120 -0.065 0.000 0.293 449 V C -0.469 175.620 176.094 -0.009 0.000 1.021 449 V CA -0.808 61.471 62.300 -0.034 0.000 0.848 449 V CB 1.438 33.140 31.823 -0.202 0.000 0.998 449 V HN 0.786 nan 8.190 nan 0.000 0.424 450 L N 6.927 128.208 121.223 0.097 0.000 2.410 450 L HA 0.489 4.790 4.340 -0.065 0.000 0.273 450 L C -0.245 176.699 176.870 0.124 0.000 1.152 450 L CA 0.682 55.604 54.840 0.136 0.000 0.855 450 L CB 1.145 43.367 42.059 0.272 0.000 1.129 450 L HN 0.452 nan 8.230 nan 0.000 0.463 451 V N 5.629 125.588 119.914 0.074 0.000 2.398 451 V HA 0.486 4.567 4.120 -0.065 0.000 0.286 451 V C -0.596 175.569 176.094 0.120 0.000 1.026 451 V CA -0.476 61.864 62.300 0.065 0.000 0.868 451 V CB 1.031 32.849 31.823 -0.009 0.000 0.982 451 V HN 1.047 nan 8.190 nan 0.000 0.443 452 H N 2.259 121.371 119.070 0.072 0.000 2.806 452 H HA 0.749 5.266 4.556 -0.065 0.000 0.367 452 H C -0.855 174.499 175.328 0.043 0.000 1.136 452 H CA -1.055 55.041 56.048 0.081 0.000 1.178 452 H CB 1.699 31.573 29.762 0.187 0.000 1.718 452 H HN 0.434 nan 8.280 nan 0.000 0.540 453 Q N 2.327 122.174 119.800 0.078 0.000 2.368 453 Q HA 0.241 4.541 4.340 -0.065 0.000 0.256 453 Q C -0.354 175.688 176.000 0.070 0.000 0.980 453 Q CA -0.191 55.615 55.803 0.005 0.000 0.887 453 Q CB 0.807 29.544 28.738 -0.001 0.000 1.221 453 Q HN 0.831 nan 8.270 nan 0.000 0.458 454 Q N 3.062 122.874 119.800 0.020 0.000 2.408 454 Q HA -0.344 3.957 4.340 -0.065 0.000 0.290 454 Q C 0.578 176.420 176.000 -0.264 0.000 1.221 454 Q CA 0.918 56.677 55.803 -0.073 0.000 0.895 454 Q CB -1.737 27.002 28.738 0.001 0.000 1.241 454 Q HN 1.158 nan 8.270 nan 0.000 0.494 455 G N -0.856 107.939 108.800 -0.009 0.000 2.259 455 G HA2 -0.288 3.633 3.960 -0.065 0.000 0.217 455 G HA3 -0.288 3.633 3.960 -0.065 0.000 0.217 455 G C 0.047 175.145 174.900 0.331 0.000 1.001 455 G CA -0.054 44.955 45.100 -0.151 0.000 0.627 455 G HN 0.248 nan 8.290 nan 0.000 0.501 456 R N 1.964 122.610 120.500 0.242 0.000 2.298 456 R HA 0.510 4.811 4.340 -0.065 0.000 0.310 456 R C -2.415 173.955 176.300 0.117 0.000 1.068 456 R CA -1.578 54.625 56.100 0.172 0.000 0.957 456 R CB 0.583 30.941 30.300 0.095 0.000 1.003 456 R HN 0.144 nan 8.270 nan 0.000 0.454 457 P HA -0.030 nan 4.420 nan 0.000 0.264 457 P C -0.340 176.928 177.300 -0.054 0.000 1.193 457 P CA 0.120 63.177 63.100 -0.072 0.000 0.763 457 P CB 0.996 32.508 31.700 -0.314 0.000 0.810 458 Q N 1.618 121.410 119.800 -0.014 0.000 2.514 458 Q HA 0.147 4.448 4.340 -0.065 0.000 0.208 458 Q C 0.217 176.175 176.000 -0.070 0.000 0.938 458 Q CA 1.142 56.923 55.803 -0.036 0.000 0.892 458 Q CB 0.174 28.903 28.738 -0.015 0.000 1.050 458 Q HN 0.534 nan 8.270 nan 0.000 0.595 459 Q N -0.838 118.919 119.800 -0.071 0.000 2.501 459 Q HA 0.548 4.849 4.340 -0.065 0.000 0.288 459 Q C -1.431 174.492 176.000 -0.129 0.000 1.051 459 Q CA -0.463 55.277 55.803 -0.105 0.000 0.788 459 Q CB 3.076 31.764 28.738 -0.084 0.000 1.469 459 Q HN -0.113 nan 8.270 nan 0.000 0.416 460 V N 1.929 121.741 119.914 -0.170 0.000 2.304 460 V HA 0.318 4.398 4.120 -0.065 0.000 0.278 460 V C -0.602 175.406 176.094 -0.143 0.000 1.018 460 V CA -0.619 61.582 62.300 -0.165 0.000 0.814 460 V CB 0.963 32.631 31.823 -0.258 0.000 1.021 460 V HN 0.674 nan 8.190 nan 0.000 0.440 461 L N 6.268 127.388 121.223 -0.172 0.000 2.499 461 L HA 0.310 4.611 4.340 -0.065 0.000 0.273 461 L C -0.576 176.172 176.870 -0.203 0.000 1.195 461 L CA 0.458 55.159 54.840 -0.232 0.000 0.882 461 L CB 0.409 42.211 42.059 -0.428 0.000 1.133 461 L HN 0.493 nan 8.230 nan 0.000 0.483 462 L N 5.971 127.098 121.223 -0.159 0.000 2.334 462 L HA 0.672 4.972 4.340 -0.065 0.000 0.276 462 L C -0.109 176.676 176.870 -0.142 0.000 1.014 462 L CA -0.666 54.102 54.840 -0.121 0.000 0.815 462 L CB 1.628 43.650 42.059 -0.061 0.000 1.268 462 L HN 0.684 nan 8.230 nan 0.000 0.428 463 R N 0.323 120.745 120.500 -0.130 0.000 2.905 463 R HA 0.746 5.047 4.340 -0.065 0.000 0.260 463 R C -1.571 174.680 176.300 -0.080 0.000 1.086 463 R CA -0.855 55.158 56.100 -0.144 0.000 0.978 463 R CB 1.669 31.870 30.300 -0.166 0.000 1.215 463 R HN 0.495 nan 8.270 nan 0.000 0.480 464 D N -0.296 120.036 120.400 -0.112 0.000 3.378 464 D HA -0.095 4.506 4.640 -0.065 0.000 0.203 464 D C -0.602 175.814 176.300 0.193 0.000 1.141 464 D CA 0.003 53.986 54.000 -0.028 0.000 0.822 464 D CB -0.598 40.189 40.800 -0.022 0.000 0.626 464 D HN 0.488 nan 8.370 nan 0.000 0.307 465 F N 1.390 121.307 119.950 -0.056 0.000 2.293 465 F HA 0.038 4.525 4.527 -0.066 0.000 0.300 465 F C 2.396 178.191 175.800 -0.007 0.000 1.086 465 F CA 1.220 59.204 58.000 -0.027 0.000 1.375 465 F CB -0.430 38.560 39.000 -0.016 0.000 1.045 465 F HN 0.486 nan 8.300 nan 0.000 0.516 466 E N -0.136 120.167 120.200 0.171 0.000 2.233 466 E HA -0.182 4.129 4.350 -0.065 0.000 0.199 466 E C 2.314 178.954 176.600 0.066 0.000 1.004 466 E CA 1.249 57.703 56.400 0.090 0.000 0.819 466 E CB -0.354 29.385 29.700 0.065 0.000 0.738 466 E HN 0.368 nan 8.360 nan 0.000 0.478 467 G N -0.637 108.207 108.800 0.073 0.000 3.020 467 G HA2 0.095 4.016 3.960 -0.065 0.000 0.217 467 G HA3 0.095 4.016 3.960 -0.065 0.000 0.217 467 G C 0.130 175.022 174.900 -0.013 0.000 1.144 467 G CA -0.272 44.845 45.100 0.029 0.000 0.760 467 G HN 0.022 nan 8.290 nan 0.000 0.548 468 V N 2.189 122.115 119.914 0.021 0.000 2.488 468 V HA 0.350 4.431 4.120 -0.065 0.000 0.277 468 V C -0.236 175.797 176.094 -0.102 0.000 1.046 468 V CA -0.233 62.062 62.300 -0.008 0.000 0.986 468 V CB 1.194 33.041 31.823 0.041 0.000 0.989 468 V HN 0.093 nan 8.190 nan 0.000 0.475 469 K N 5.095 125.396 120.400 -0.165 0.000 2.350 469 K HA 0.725 5.006 4.320 -0.065 0.000 0.241 469 K C -1.118 175.432 176.600 -0.084 0.000 0.994 469 K CA -0.768 55.378 56.287 -0.235 0.000 0.839 469 K CB 2.685 34.777 32.500 -0.680 0.000 1.244 469 K HN 0.409 nan 8.250 nan 0.000 0.443 470 L N 1.148 122.353 121.223 -0.029 0.000 2.362 470 L HA 0.357 4.658 4.340 -0.065 0.000 0.275 470 L C 0.330 177.245 176.870 0.075 0.000 0.998 470 L CA -0.961 53.895 54.840 0.026 0.000 0.820 470 L CB 2.096 44.167 42.059 0.020 0.000 1.270 470 L HN 0.738 nan 8.230 nan 0.000 0.415 471 T N -3.153 111.443 114.554 0.070 0.000 2.913 471 T HA 0.096 4.407 4.350 -0.065 0.000 0.297 471 T C 0.768 175.487 174.700 0.031 0.000 1.029 471 T CA -0.588 61.556 62.100 0.074 0.000 1.104 471 T CB 1.206 70.080 68.868 0.009 0.000 0.964 471 T HN 0.699 nan 8.240 nan 0.000 0.532 472 D N 1.060 121.484 120.400 0.041 0.000 2.219 472 D HA -0.163 4.438 4.640 -0.065 0.000 0.205 472 D C 1.337 177.625 176.300 -0.020 0.000 0.970 472 D CA 1.102 55.110 54.000 0.013 0.000 0.851 472 D CB -0.236 40.576 40.800 0.020 0.000 0.943 472 D HN 0.746 nan 8.370 nan 0.000 0.488 473 D N -0.555 119.825 120.400 -0.034 0.000 2.271 473 D HA -0.035 4.566 4.640 -0.065 0.000 0.206 473 D C 1.672 177.918 176.300 -0.090 0.000 0.967 473 D CA 0.246 54.211 54.000 -0.059 0.000 0.867 473 D CB -0.055 40.709 40.800 -0.060 0.000 0.960 473 D HN 0.332 nan 8.370 nan 0.000 0.509 474 L N -0.293 120.871 121.223 -0.098 0.000 2.920 474 L HA 0.381 4.681 4.340 -0.065 0.000 0.168 474 L C 2.356 179.162 176.870 -0.107 0.000 1.141 474 L CA 1.025 55.789 54.840 -0.127 0.000 0.859 474 L CB -0.533 41.436 42.059 -0.150 0.000 1.398 474 L HN 0.064 nan 8.230 nan 0.000 0.517 475 G N 0.219 109.002 108.800 -0.029 0.000 2.469 475 G HA2 -0.295 3.626 3.960 -0.065 0.000 0.219 475 G HA3 -0.295 3.626 3.960 -0.065 0.000 0.219 475 G C 1.497 176.446 174.900 0.083 0.000 1.150 475 G CA 1.256 46.407 45.100 0.084 0.000 0.763 475 G HN 0.301 nan 8.290 nan 0.000 0.561 476 I N 1.275 121.852 120.570 0.012 0.000 2.361 476 I HA -0.087 4.044 4.170 -0.065 0.000 0.251 476 I C 2.573 178.671 176.117 -0.032 0.000 1.133 476 I CA 0.506 61.812 61.300 0.010 0.000 1.413 476 I CB -0.278 37.727 38.000 0.007 0.000 1.073 476 I HN 0.058 nan 8.210 nan 0.000 0.424 477 R N -0.090 120.330 120.500 -0.133 0.000 2.226 477 R HA -0.197 4.104 4.340 -0.065 0.000 0.246 477 R C 0.440 176.587 176.300 -0.255 0.000 1.161 477 R CA 0.912 56.875 56.100 -0.228 0.000 0.997 477 R CB -1.148 28.948 30.300 -0.340 0.000 0.870 477 R HN 0.383 nan 8.270 nan 0.000 0.465 484 H N 5.891 125.024 119.070 0.105 0.000 3.173 484 H HA 0.070 4.587 4.556 -0.065 0.000 0.311 484 H C -1.839 173.541 175.328 0.086 0.000 0.972 484 H CA 0.022 56.149 56.048 0.133 0.000 1.384 484 H CB 1.210 31.122 29.762 0.251 0.000 1.349 484 H HN 0.503 nan 8.280 nan 0.000 0.582 485 P HA -0.170 nan 4.420 nan 0.000 0.216 485 P C 1.561 178.945 177.300 0.139 0.000 1.150 485 P CA 1.562 64.687 63.100 0.042 0.000 0.843 485 P CB 0.206 31.865 31.700 -0.069 0.000 0.787 486 R N -0.257 120.467 120.500 0.373 0.000 2.115 486 R HA -0.039 4.262 4.340 -0.065 0.000 0.226 486 R C 1.794 177.995 176.300 -0.164 0.000 1.100 486 R CA 1.248 57.386 56.100 0.064 0.000 0.980 486 R CB -1.380 28.965 30.300 0.074 0.000 0.875 486 R HN -0.006 nan 8.270 nan 0.000 0.445 487 V N 0.871 120.772 119.914 -0.022 0.000 2.270 487 V HA -0.173 3.908 4.120 -0.065 0.000 0.245 487 V C 2.513 178.599 176.094 -0.014 0.000 1.043 487 V CA 2.078 64.341 62.300 -0.062 0.000 1.014 487 V CB -0.652 31.183 31.823 0.020 0.000 0.645 487 V HN 0.365 nan 8.190 nan 0.000 0.447 488 R N -0.062 120.458 120.500 0.033 0.000 2.119 488 R HA -0.311 3.990 4.340 -0.065 0.000 0.246 488 R C 2.462 178.767 176.300 0.009 0.000 1.146 488 R CA 2.581 58.697 56.100 0.027 0.000 0.962 488 R CB -0.362 29.959 30.300 0.035 0.000 0.863 488 R HN 0.714 nan 8.270 nan 0.000 0.442 489 Q N -0.288 119.499 119.800 -0.020 0.000 2.050 489 Q HA -0.169 4.132 4.340 -0.065 0.000 0.202 489 Q C 2.031 178.019 176.000 -0.021 0.000 0.980 489 Q CA 2.204 57.989 55.803 -0.030 0.000 0.840 489 Q CB -0.257 28.440 28.738 -0.069 0.000 0.898 489 Q HN 0.296 nan 8.270 nan 0.000 0.424 490 S N -0.113 115.539 115.700 -0.081 0.000 2.383 490 S HA -0.133 4.298 4.470 -0.065 0.000 0.229 490 S C 1.860 176.488 174.600 0.047 0.000 1.030 490 S CA 1.186 59.379 58.200 -0.012 0.000 1.002 490 S CB -0.248 62.960 63.200 0.014 0.000 0.829 490 S HN 0.526 nan 8.310 nan 0.000 0.467 491 L N 0.178 121.418 121.223 0.028 0.000 2.418 491 L HA 0.286 4.587 4.340 -0.065 0.000 0.218 491 L C 0.555 177.444 176.870 0.031 0.000 1.125 491 L CA 0.010 54.857 54.840 0.011 0.000 0.835 491 L CB -0.024 42.042 42.059 0.012 0.000 0.953 491 L HN 0.331 nan 8.230 nan 0.000 0.454 492 L N -0.254 121.031 121.223 0.103 0.000 2.276 492 L HA 0.325 4.626 4.340 -0.065 0.000 0.286 492 L C -1.061 176.034 176.870 0.374 0.000 1.061 492 L CA -0.013 54.922 54.840 0.157 0.000 0.807 492 L CB 0.656 42.774 42.059 0.099 0.000 1.177 492 L HN -0.197 nan 8.230 nan 0.000 0.429 493 Y N 2.336 122.659 120.300 0.038 0.000 2.485 493 Y HA 0.486 4.997 4.550 -0.066 0.000 0.345 493 Y C 0.490 176.421 175.900 0.052 0.000 0.998 493 Y CA -1.237 56.891 58.100 0.047 0.000 1.059 493 Y CB 2.067 40.571 38.460 0.073 0.000 1.234 493 Y HN 0.750 nan 8.280 nan 0.000 0.461 494 S N 2.171 117.935 115.700 0.106 0.000 2.587 494 S HA 0.139 4.570 4.470 -0.065 0.000 0.260 494 S C 1.347 176.047 174.600 0.168 0.000 1.353 494 S CA -0.322 57.929 58.200 0.086 0.000 0.995 494 S CB 0.761 63.973 63.200 0.020 0.000 0.912 494 S HN 0.849 nan 8.310 nan 0.000 0.568 495 R N 0.112 120.700 120.500 0.147 0.000 2.148 495 R HA -0.038 4.263 4.340 -0.065 0.000 0.223 495 R C 2.246 178.757 176.300 0.352 0.000 1.088 495 R CA 1.373 57.610 56.100 0.230 0.000 0.985 495 R CB -0.253 30.109 30.300 0.104 0.000 0.880 495 R HN 0.915 nan 8.270 nan 0.000 0.451 496 E N 0.215 120.544 120.200 0.215 0.000 2.051 496 E HA -0.183 4.128 4.350 -0.065 0.000 0.189 496 E C 1.868 178.555 176.600 0.145 0.000 0.979 496 E CA 0.885 57.409 56.400 0.206 0.000 0.803 496 E CB 0.131 29.892 29.700 0.102 0.000 0.761 496 E HN 0.400 nan 8.360 nan 0.000 0.451 497 Q N -0.359 119.459 119.800 0.030 0.000 2.112 497 Q HA -0.168 4.133 4.340 -0.065 0.000 0.206 497 Q C 2.141 178.184 176.000 0.071 0.000 0.987 497 Q CA 1.566 57.301 55.803 -0.113 0.000 0.858 497 Q CB -0.299 28.212 28.738 -0.380 0.000 0.905 497 Q HN 0.364 nan 8.270 nan 0.000 0.420 498 G N 0.004 108.979 108.800 0.291 0.000 2.422 498 G HA2 -0.242 3.679 3.960 -0.065 0.000 0.218 498 G HA3 -0.242 3.679 3.960 -0.065 0.000 0.218 498 G C 0.971 175.887 174.900 0.026 0.000 1.140 498 G CA 0.248 45.559 45.100 0.352 0.000 0.775 498 G HN 0.501 nan 8.290 nan 0.000 0.545 499 W N 1.423 122.651 121.300 -0.120 0.000 2.418 499 W HA -0.072 4.551 4.660 -0.062 0.000 0.292 499 W C 1.828 178.286 176.519 -0.101 0.000 1.213 499 W CA 0.737 57.900 57.345 -0.303 0.000 1.283 499 W CB 0.022 29.483 29.460 0.002 0.000 1.119 499 W HN 0.140 nan 8.180 nan 0.000 0.542 500 N N 1.044 119.650 118.700 -0.156 0.000 2.069 500 N HA -0.250 4.451 4.740 -0.065 0.000 0.191 500 N C 1.856 177.331 175.510 -0.058 0.000 1.031 500 N CA 2.108 55.053 53.050 -0.175 0.000 0.852 500 N CB -0.964 37.376 38.487 -0.245 0.000 1.018 500 N HN 0.284 nan 8.380 nan 0.000 0.423 501 R N 0.832 121.329 120.500 -0.005 0.000 2.081 501 R HA 0.027 4.328 4.340 -0.065 0.000 0.235 501 R C 2.068 178.359 176.300 -0.015 0.000 1.131 501 R CA 1.022 57.204 56.100 0.136 0.000 0.960 501 R CB -0.259 30.150 30.300 0.181 0.000 0.856 501 R HN 0.191 nan 8.270 nan 0.000 0.436 502 I N 0.275 120.695 120.570 -0.251 0.000 2.439 502 I HA -0.232 3.899 4.170 -0.065 0.000 0.251 502 I C 2.468 178.316 176.117 -0.449 0.000 1.139 502 I CA 0.922 62.001 61.300 -0.368 0.000 1.438 502 I CB -0.101 37.601 38.000 -0.496 0.000 1.085 502 I HN 0.321 nan 8.210 nan 0.000 0.427 503 M N -0.389 118.867 119.600 -0.573 0.000 2.067 503 M HA -0.276 4.164 4.480 -0.065 0.000 0.260 503 M C 2.513 178.785 176.300 -0.045 0.000 1.069 503 M CA 2.155 57.278 55.300 -0.294 0.000 1.117 503 M CB -0.483 31.886 32.600 -0.384 0.000 1.334 503 M HN 0.234 nan 8.290 nan 0.000 0.407 504 Y N 0.035 120.263 120.300 -0.120 0.000 2.145 504 Y HA -0.279 4.235 4.550 -0.061 0.000 0.286 504 Y C 2.360 178.215 175.900 -0.074 0.000 1.145 504 Y CA 1.580 59.624 58.100 -0.093 0.000 1.148 504 Y CB -0.791 37.638 38.460 -0.051 0.000 0.981 504 Y HN 0.261 nan 8.280 nan 0.000 0.507 505 C N 0.084 119.163 119.300 -0.369 0.000 2.440 505 C HA -0.099 4.322 4.460 -0.065 0.000 0.278 505 C C 2.842 177.653 174.990 -0.299 0.000 1.295 505 C CA 1.179 59.974 59.018 -0.371 0.000 1.738 505 C CB -1.386 26.288 27.740 -0.110 0.000 1.987 505 C HN 0.617 nan 8.230 nan 0.000 0.492 506 L N -1.297 119.686 121.223 -0.400 0.000 2.162 506 L HA 0.050 4.351 4.340 -0.065 0.000 0.205 506 L C 1.981 178.549 176.870 -0.504 0.000 1.086 506 L CA 1.531 56.017 54.840 -0.590 0.000 0.778 506 L CB -0.289 41.151 42.059 -1.030 0.000 0.928 506 L HN 0.299 nan 8.230 nan 0.000 0.446 507 F N -1.566 118.397 119.950 0.021 0.000 2.453 507 F HA 0.132 4.619 4.527 -0.067 0.000 0.284 507 F C 2.074 177.930 175.800 0.094 0.000 1.065 507 F CA 0.262 58.385 58.000 0.205 0.000 1.411 507 F CB 0.115 39.269 39.000 0.256 0.000 1.131 507 F HN -0.182 nan 8.300 nan 0.000 0.582 508 I N -0.263 120.238 120.570 -0.116 0.000 2.628 508 I HA -0.138 3.993 4.170 -0.065 0.000 0.255 508 I C 2.240 178.255 176.117 -0.170 0.000 1.119 508 I CA 0.645 61.783 61.300 -0.270 0.000 1.448 508 I CB -0.318 37.438 38.000 -0.406 0.000 1.133 508 I HN 0.173 nan 8.210 nan 0.000 0.438 509 N N 0.167 118.638 118.700 -0.380 0.000 2.250 509 N HA -0.176 4.525 4.740 -0.065 0.000 0.181 509 N C 1.667 177.119 175.510 -0.097 0.000 1.017 509 N CA 1.526 54.387 53.050 -0.315 0.000 0.866 509 N CB 0.324 38.477 38.487 -0.557 0.000 0.985 509 N HN 0.477 nan 8.380 nan 0.000 0.429 510 H N -0.678 118.317 119.070 -0.126 0.000 2.398 510 H HA 0.283 4.800 4.556 -0.065 0.000 0.279 510 H C 2.177 177.481 175.328 -0.041 0.000 1.114 510 H CA 0.069 56.085 56.048 -0.053 0.000 1.609 510 H CB -0.047 29.688 29.762 -0.045 0.000 1.460 510 H HN -0.080 nan 8.280 nan 0.000 0.608 511 L N 0.077 121.463 121.223 0.271 0.000 2.083 511 L HA -0.153 4.147 4.340 -0.065 0.000 0.209 511 L C 2.662 179.612 176.870 0.134 0.000 1.083 511 L CA 1.191 56.154 54.840 0.205 0.000 0.752 511 L CB -0.438 41.790 42.059 0.282 0.000 0.899 511 L HN 0.322 nan 8.230 nan 0.000 0.433 512 S N -0.386 115.512 115.700 0.330 0.000 2.383 512 S HA -0.186 4.245 4.470 -0.065 0.000 0.229 512 S C 1.933 176.596 174.600 0.106 0.000 1.030 512 S CA 1.320 59.747 58.200 0.378 0.000 1.002 512 S CB -0.089 63.409 63.200 0.496 0.000 0.829 512 S HN 0.395 nan 8.310 nan 0.000 0.467 513 E N 0.462 120.672 120.200 0.017 0.000 2.152 513 E HA -0.043 4.267 4.350 -0.065 0.000 0.192 513 E C 2.223 178.678 176.600 -0.242 0.000 0.983 513 E CA 1.238 57.596 56.400 -0.070 0.000 0.818 513 E CB -0.887 28.782 29.700 -0.052 0.000 0.758 513 E HN 0.557 nan 8.360 nan 0.000 0.467 514 T N 1.884 116.155 114.554 -0.471 0.000 2.684 514 T HA -0.115 4.196 4.350 -0.065 0.000 0.267 514 T C 2.147 176.607 174.700 -0.400 0.000 1.036 514 T CA 1.081 62.638 62.100 -0.904 0.000 1.148 514 T CB -0.220 68.194 68.868 -0.758 0.000 0.863 514 T HN 0.108 nan 8.240 nan 0.000 0.436 515 I N 0.410 120.785 120.570 -0.326 0.000 2.315 515 I HA -0.077 4.053 4.170 -0.065 0.000 0.248 515 I C 2.246 178.236 176.117 -0.211 0.000 1.117 515 I CA 0.609 61.671 61.300 -0.398 0.000 1.404 515 I CB -0.280 37.350 38.000 -0.616 0.000 1.071 515 I HN 0.135 nan 8.210 nan 0.000 0.419 516 L N 0.969 122.116 121.223 -0.127 0.000 2.093 516 L HA -0.098 4.203 4.340 -0.065 0.000 0.208 516 L C 2.445 179.355 176.870 0.067 0.000 1.085 516 L CA 2.026 56.834 54.840 -0.054 0.000 0.755 516 L CB -0.591 41.397 42.059 -0.119 0.000 0.904 516 L HN 0.176 nan 8.230 nan 0.000 0.435 517 A N -1.133 121.710 122.820 0.038 0.000 1.970 517 A HA 0.007 4.288 4.320 -0.065 0.000 0.216 517 A C 2.152 179.767 177.584 0.051 0.000 1.170 517 A CA 1.207 53.309 52.037 0.107 0.000 0.645 517 A CB -0.587 18.509 19.000 0.161 0.000 0.816 517 A HN 0.457 nan 8.150 nan 0.000 0.447 518 L N 0.329 121.549 121.223 -0.006 0.000 2.240 518 L HA -0.047 4.254 4.340 -0.065 0.000 0.211 518 L C 1.965 178.799 176.870 -0.059 0.000 1.106 518 L CA 1.236 56.048 54.840 -0.047 0.000 0.793 518 L CB -0.098 41.930 42.059 -0.052 0.000 0.927 518 L HN 0.489 nan 8.230 nan 0.000 0.446 519 S N -1.622 114.048 115.700 -0.049 0.000 2.618 519 S HA 0.075 4.505 4.470 -0.065 0.000 0.242 519 S C 0.489 175.084 174.600 -0.008 0.000 0.972 519 S CA -0.517 57.655 58.200 -0.047 0.000 1.004 519 S CB -0.129 63.026 63.200 -0.074 0.000 0.778 519 S HN 0.290 nan 8.310 nan 0.000 0.459 520 Q N 0.701 120.482 119.800 -0.030 0.000 2.288 520 Q HA 0.423 4.724 4.340 -0.065 0.000 0.254 520 Q C 1.286 177.199 176.000 -0.146 0.000 0.932 520 Q CA 0.932 56.632 55.803 -0.172 0.000 0.902 520 Q CB 0.753 29.315 28.738 -0.293 0.000 1.203 520 Q HN 0.624 nan 8.270 nan 0.000 0.415 521 G N 4.214 112.920 108.800 -0.157 0.000 2.412 521 G HA2 -0.330 3.591 3.960 -0.065 0.000 0.252 521 G HA3 -0.330 3.591 3.960 -0.065 0.000 0.252 521 G C 0.485 175.346 174.900 -0.064 0.000 1.038 521 G CA 0.548 45.589 45.100 -0.098 0.000 0.628 521 G HN 0.631 nan 8.290 nan 0.000 0.531 522 R N 0.877 121.342 120.500 -0.059 0.000 2.835 522 R HA 0.271 4.572 4.340 -0.065 0.000 0.290 522 R C -1.641 174.635 176.300 -0.039 0.000 1.410 522 R CA -1.105 54.967 56.100 -0.045 0.000 1.590 522 R CB 1.277 31.548 30.300 -0.048 0.000 1.288 522 R HN 0.263 nan 8.270 nan 0.000 0.637 523 P HA -0.216 nan 4.420 nan 0.000 0.225 523 P C 0.991 178.272 177.300 -0.032 0.000 1.148 523 P CA 0.987 64.074 63.100 -0.023 0.000 0.779 523 P CB 0.387 32.077 31.700 -0.017 0.000 0.780 524 Q N 0.428 120.209 119.800 -0.031 0.000 2.291 524 Q HA -0.104 4.197 4.340 -0.065 0.000 0.206 524 Q C 2.037 178.016 176.000 -0.035 0.000 0.976 524 Q CA 1.174 56.960 55.803 -0.028 0.000 0.875 524 Q CB -1.467 27.259 28.738 -0.020 0.000 0.927 524 Q HN 0.323 nan 8.270 nan 0.000 0.450 525 L N 0.708 121.899 121.223 -0.053 0.000 2.275 525 L HA -0.040 4.261 4.340 -0.065 0.000 0.215 525 L C 2.683 179.478 176.870 -0.123 0.000 1.119 525 L CA 0.631 55.422 54.840 -0.082 0.000 0.790 525 L CB -0.789 41.212 42.059 -0.097 0.000 0.919 525 L HN 0.210 nan 8.230 nan 0.000 0.443 526 A N 1.562 124.319 122.820 -0.104 0.000 1.869 526 A HA -0.181 4.100 4.320 -0.065 0.000 0.218 526 A C 0.146 177.717 177.584 -0.021 0.000 1.203 526 A CA 2.227 54.197 52.037 -0.111 0.000 0.638 526 A CB -1.980 17.014 19.000 -0.011 0.000 0.831 526 A HN 0.310 nan 8.150 nan 0.000 0.450 527 P HA -0.108 nan 4.420 nan 0.000 0.218 527 P C 1.661 179.023 177.300 0.103 0.000 1.149 527 P CA 0.904 64.103 63.100 0.166 0.000 0.817 527 P CB -0.219 31.538 31.700 0.096 0.000 0.785 528 L N -1.215 120.016 121.223 0.014 0.000 1.989 528 L HA -0.172 4.129 4.340 -0.065 0.000 0.211 528 L C 2.906 179.756 176.870 -0.033 0.000 1.071 528 L CA 1.837 56.674 54.840 -0.006 0.000 0.749 528 L CB -0.909 41.133 42.059 -0.029 0.000 0.890 528 L HN -0.062 nan 8.230 nan 0.000 0.431 529 M N -1.765 117.724 119.600 -0.185 0.000 2.108 529 M HA -0.250 4.191 4.480 -0.065 0.000 0.261 529 M C 2.119 178.307 176.300 -0.186 0.000 1.066 529 M CA 2.148 57.214 55.300 -0.390 0.000 1.107 529 M CB -0.568 31.395 32.600 -1.061 0.000 1.356 529 M HN 0.242 nan 8.290 nan 0.000 0.406 530 W N 0.243 121.573 121.300 0.048 0.000 2.355 530 W HA -0.169 4.452 4.660 -0.066 0.000 0.309 530 W C 2.699 179.362 176.519 0.241 0.000 1.206 530 W CA 0.942 58.423 57.345 0.227 0.000 1.284 530 W CB -0.368 29.213 29.460 0.201 0.000 1.145 530 W HN 0.169 nan 8.180 nan 0.000 0.502 531 R N 1.213 121.914 120.500 0.335 0.000 2.117 531 R HA -0.208 4.093 4.340 -0.065 0.000 0.243 531 R C 2.144 178.496 176.300 0.086 0.000 1.143 531 R CA 1.906 58.105 56.100 0.166 0.000 0.968 531 R CB -0.378 29.983 30.300 0.101 0.000 0.863 531 R HN 0.021 nan 8.270 nan 0.000 0.444 532 R N -0.502 120.078 120.500 0.134 0.000 2.090 532 R HA 0.005 4.306 4.340 -0.065 0.000 0.228 532 R C 1.803 178.189 176.300 0.142 0.000 1.110 532 R CA 1.446 57.618 56.100 0.121 0.000 0.973 532 R CB -0.281 30.123 30.300 0.174 0.000 0.869 532 R HN 0.152 nan 8.270 nan 0.000 0.440 533 V N 1.115 121.186 119.914 0.263 0.000 2.343 533 V HA -0.254 3.827 4.120 -0.065 0.000 0.247 533 V C 2.468 178.578 176.094 0.026 0.000 1.051 533 V CA 2.223 64.697 62.300 0.289 0.000 1.036 533 V CB -0.677 31.532 31.823 0.643 0.000 0.654 533 V HN 0.513 nan 8.190 nan 0.000 0.451 534 Q N -0.341 119.319 119.800 -0.232 0.000 2.119 534 Q HA -0.249 4.052 4.340 -0.065 0.000 0.201 534 Q C 2.276 178.084 176.000 -0.320 0.000 0.972 534 Q CA 1.682 57.090 55.803 -0.658 0.000 0.847 534 Q CB -0.028 28.145 28.738 -0.942 0.000 0.903 534 Q HN 0.706 nan 8.270 nan 0.000 0.433 535 Q N -0.444 119.260 119.800 -0.160 0.000 2.172 535 Q HA -0.172 4.129 4.340 -0.065 0.000 0.200 535 Q C 1.933 177.902 176.000 -0.052 0.000 0.964 535 Q CA 1.099 56.847 55.803 -0.091 0.000 0.855 535 Q CB 0.123 28.831 28.738 -0.051 0.000 0.918 535 Q HN 0.237 nan 8.270 nan 0.000 0.444 536 Q N 0.860 120.647 119.800 -0.023 0.000 2.123 536 Q HA -0.064 4.236 4.340 -0.065 0.000 0.199 536 Q C 1.814 177.828 176.000 0.023 0.000 0.966 536 Q CA 1.177 56.983 55.803 0.005 0.000 0.845 536 Q CB -0.109 28.642 28.738 0.021 0.000 0.907 536 Q HN 0.363 nan 8.270 nan 0.000 0.439 537 L N -0.255 120.985 121.223 0.028 0.000 2.013 537 L HA -0.260 4.041 4.340 -0.065 0.000 0.212 537 L C 2.574 179.449 176.870 0.008 0.000 1.073 537 L CA 1.669 56.543 54.840 0.057 0.000 0.753 537 L CB -0.512 41.559 42.059 0.021 0.000 0.890 537 L HN 0.219 nan 8.230 nan 0.000 0.432 538 R N -0.109 120.364 120.500 -0.046 0.000 2.080 538 R HA -0.174 4.126 4.340 -0.065 0.000 0.236 538 R C 2.427 178.710 176.300 -0.030 0.000 1.137 538 R CA 1.598 57.668 56.100 -0.050 0.000 0.943 538 R CB -0.562 29.697 30.300 -0.069 0.000 0.846 538 R HN 0.389 nan 8.270 nan 0.000 0.431 539 A N 1.016 123.823 122.820 -0.021 0.000 1.933 539 A HA -0.157 4.124 4.320 -0.065 0.000 0.218 539 A C 2.153 179.736 177.584 -0.002 0.000 1.175 539 A CA 1.347 53.376 52.037 -0.012 0.000 0.628 539 A CB -0.495 18.500 19.000 -0.009 0.000 0.814 539 A HN 0.224 nan 8.150 nan 0.000 0.444 540 I N -0.715 119.864 120.570 0.015 0.000 2.394 540 I HA -0.285 3.846 4.170 -0.065 0.000 0.251 540 I C 2.696 178.823 176.117 0.018 0.000 1.136 540 I CA 1.617 62.938 61.300 0.035 0.000 1.425 540 I CB -0.263 37.783 38.000 0.078 0.000 1.079 540 I HN 0.506 nan 8.210 nan 0.000 0.425 541 Q N 0.937 120.731 119.800 -0.011 0.000 2.061 541 Q HA -0.190 4.111 4.340 -0.065 0.000 0.204 541 Q C 2.202 178.164 176.000 -0.065 0.000 0.984 541 Q CA 1.898 57.661 55.803 -0.067 0.000 0.846 541 Q CB -0.365 28.318 28.738 -0.091 0.000 0.902 541 Q HN 0.549 nan 8.270 nan 0.000 0.421 542 G N -0.176 108.598 108.800 -0.043 0.000 2.625 542 G HA2 -0.217 3.704 3.960 -0.065 0.000 0.214 542 G HA3 -0.217 3.704 3.960 -0.065 0.000 0.214 542 G C 0.993 175.878 174.900 -0.024 0.000 1.132 542 G CA 0.514 45.592 45.100 -0.037 0.000 0.782 542 G HN 0.444 nan 8.290 nan 0.000 0.538 543 E N -0.787 119.405 120.200 -0.013 0.000 2.476 543 E HA 0.213 4.524 4.350 -0.065 0.000 0.199 543 E C 0.593 177.196 176.600 0.004 0.000 1.021 543 E CA -0.413 55.987 56.400 0.002 0.000 0.907 543 E CB 0.107 29.817 29.700 0.016 0.000 0.974 543 E HN 0.304 nan 8.360 nan 0.000 0.489 544 L N 1.034 122.249 121.223 -0.012 0.000 2.453 544 L HA 0.167 4.468 4.340 -0.065 0.000 0.261 544 L C 1.227 178.078 176.870 -0.032 0.000 1.179 544 L CA -0.248 54.584 54.840 -0.013 0.000 0.813 544 L CB 0.608 42.642 42.059 -0.043 0.000 1.110 544 L HN -0.134 nan 8.230 nan 0.000 0.466 545 K N 0.426 120.804 120.400 -0.037 0.000 2.355 545 K HA 0.237 4.518 4.320 -0.065 0.000 0.198 545 K C -0.036 176.522 176.600 -0.070 0.000 1.039 545 K CA 0.192 56.449 56.287 -0.050 0.000 1.075 545 K CB 0.782 33.253 32.500 -0.048 0.000 0.870 545 K HN 0.504 nan 8.250 nan 0.000 0.540 546 Q N 0.341 120.095 119.800 -0.077 0.000 2.484 546 Q HA 0.427 4.728 4.340 -0.065 0.000 0.285 546 Q C -2.605 173.329 176.000 -0.109 0.000 1.097 546 Q CA -2.109 53.642 55.803 -0.086 0.000 0.802 546 Q CB 1.307 29.994 28.738 -0.086 0.000 1.444 546 Q HN -0.138 nan 8.270 nan 0.000 0.429 547 P HA 0.013 nan 4.420 nan 0.000 0.266 547 P C -0.408 176.763 177.300 -0.215 0.000 1.195 547 P CA 0.274 63.288 63.100 -0.142 0.000 0.768 547 P CB 0.431 32.069 31.700 -0.102 0.000 0.838 548 S N 1.531 117.023 115.700 -0.348 0.000 2.526 548 S HA 0.263 4.694 4.470 -0.065 0.000 0.220 548 S C -1.703 172.635 174.600 -0.437 0.000 1.159 548 S CA -0.969 56.832 58.200 -0.666 0.000 1.196 548 S CB 0.271 62.766 63.200 -1.175 0.000 1.225 548 S HN 0.216 nan 8.310 nan 0.000 0.432 549 P HA -0.159 nan 4.420 nan 0.000 0.216 549 P C 0.936 178.123 177.300 -0.188 0.000 1.150 549 P CA 1.552 64.548 63.100 -0.174 0.000 0.843 549 P CB 0.115 31.745 31.700 -0.115 0.000 0.787 550 E N -0.481 119.569 120.200 -0.250 0.000 2.150 550 E HA -0.121 4.190 4.350 -0.065 0.000 0.193 550 E C 1.936 178.368 176.600 -0.279 0.000 0.985 550 E CA 0.563 56.746 56.400 -0.363 0.000 0.814 550 E CB -0.990 28.186 29.700 -0.872 0.000 0.752 550 E HN 0.141 nan 8.360 nan 0.000 0.466 551 L N 0.853 121.886 121.223 -0.316 0.000 2.240 551 L HA -0.059 4.242 4.340 -0.065 0.000 0.211 551 L C 1.155 178.021 176.870 -0.008 0.000 1.106 551 L CA 1.684 56.469 54.840 -0.091 0.000 0.793 551 L CB -0.269 41.633 42.059 -0.263 0.000 0.927 551 L HN -0.026 nan 8.230 nan 0.000 0.446 552 D N -0.149 120.201 120.400 -0.083 0.000 2.144 552 D HA -0.110 4.490 4.640 -0.065 0.000 0.200 552 D C 2.153 178.485 176.300 0.053 0.000 0.978 552 D CA 1.395 55.377 54.000 -0.029 0.000 0.833 552 D CB 0.117 40.878 40.800 -0.065 0.000 0.961 552 D HN 0.453 nan 8.370 nan 0.000 0.470 553 A N 0.837 123.684 122.820 0.045 0.000 1.873 553 A HA -0.138 4.143 4.320 -0.065 0.000 0.215 553 A C 2.180 179.934 177.584 0.284 0.000 1.186 553 A CA 0.926 53.012 52.037 0.082 0.000 0.616 553 A CB -0.788 18.148 19.000 -0.106 0.000 0.823 553 A HN 0.235 nan 8.150 nan 0.000 0.442 554 L N 0.198 121.621 121.223 0.334 0.000 2.013 554 L HA -0.174 4.127 4.340 -0.065 0.000 0.212 554 L C 2.247 179.425 176.870 0.513 0.000 1.073 554 L CA 1.960 57.066 54.840 0.442 0.000 0.753 554 L CB -0.437 41.948 42.059 0.543 0.000 0.890 554 L HN 0.463 nan 8.230 nan 0.000 0.432 555 I N -0.794 119.956 120.570 0.300 0.000 2.315 555 I HA -0.264 3.867 4.170 -0.065 0.000 0.248 555 I C 2.577 178.794 176.117 0.167 0.000 1.117 555 I CA 0.967 62.337 61.300 0.116 0.000 1.404 555 I CB -0.697 37.294 38.000 -0.016 0.000 1.071 555 I HN 0.357 nan 8.210 nan 0.000 0.419 556 A N 0.508 123.461 122.820 0.221 0.000 1.883 556 A HA -0.081 4.200 4.320 -0.065 0.000 0.217 556 A C 2.007 179.750 177.584 0.264 0.000 1.186 556 A CA 2.120 54.292 52.037 0.225 0.000 0.624 556 A CB -0.809 18.361 19.000 0.283 0.000 0.822 556 A HN 0.587 nan 8.150 nan 0.000 0.444 557 G N -3.430 105.573 108.800 0.339 0.000 2.456 557 G HA2 -0.017 3.904 3.960 -0.065 0.000 0.208 557 G HA3 -0.017 3.904 3.960 -0.065 0.000 0.208 557 G C -0.083 174.812 174.900 -0.007 0.000 1.004 557 G CA 0.116 45.322 45.100 0.177 0.000 0.791 557 G HN 0.638 nan 8.290 nan 0.000 0.537 558 H N 1.442 120.561 119.070 0.081 0.000 2.679 558 H HA 0.435 4.951 4.556 -0.066 0.000 0.369 558 H C -1.871 173.465 175.328 0.012 0.000 1.178 558 H CA -0.221 55.859 56.048 0.053 0.000 1.419 558 H CB 0.571 30.393 29.762 0.100 0.000 1.458 558 H HN 0.136 nan 8.280 nan 0.000 0.605 559 P HA 0.036 nan 4.420 nan 0.000 0.270 559 P C -0.951 176.404 177.300 0.093 0.000 1.223 559 P CA -0.111 63.025 63.100 0.061 0.000 0.785 559 P CB 0.687 32.423 31.700 0.060 0.000 0.923 560 V N 1.439 121.393 119.914 0.067 0.000 2.448 560 V HA 0.539 4.620 4.120 -0.065 0.000 0.295 560 V C 0.393 176.495 176.094 0.014 0.000 1.025 560 V CA -1.010 61.319 62.300 0.048 0.000 0.859 560 V CB 1.193 33.044 31.823 0.048 0.000 0.988 560 V HN 0.702 nan 8.190 nan 0.000 0.431 561 A N 3.484 126.324 122.820 0.033 0.000 2.462 561 A HA 0.473 4.754 4.320 -0.065 0.000 0.243 561 A C 0.042 177.667 177.584 0.068 0.000 1.076 561 A CA 0.046 52.140 52.037 0.095 0.000 0.773 561 A CB 0.224 19.328 19.000 0.172 0.000 1.010 561 A HN 1.167 nan 8.150 nan 0.000 0.493 562 C N 3.624 122.908 119.300 -0.028 0.000 2.551 562 C HA 0.582 5.003 4.460 -0.065 0.000 0.332 562 C C -0.132 174.405 174.990 -0.754 0.000 1.139 562 C CA -0.903 57.981 59.018 -0.223 0.000 1.328 562 C CB 0.639 28.283 27.740 -0.160 0.000 1.903 562 C HN 1.018 nan 8.230 nan 0.000 0.459 563 K N 3.277 122.773 120.400 -1.507 0.000 2.202 563 K HA 0.536 4.817 4.320 -0.065 0.000 0.264 563 K C 0.165 176.232 176.600 -0.889 0.000 1.010 563 K CA 0.265 55.537 56.287 -1.692 0.000 0.940 563 K CB 0.967 32.293 32.500 -1.957 0.000 0.983 563 K HN 0.890 nan 8.250 nan 0.000 0.475 564 T N -0.013 114.162 114.554 -0.631 0.000 2.885 564 T HA 0.384 4.695 4.350 -0.065 0.000 0.285 564 T C 0.168 174.671 174.700 -0.328 0.000 1.019 564 T CA -0.930 60.931 62.100 -0.399 0.000 1.010 564 T CB 1.335 69.999 68.868 -0.340 0.000 1.022 564 T HN 0.588 nan 8.240 nan 0.000 0.466 565 N N 0.509 119.032 118.700 -0.293 0.000 2.297 565 N HA 0.118 4.819 4.740 -0.065 0.000 0.208 565 N C 1.062 176.400 175.510 -0.285 0.000 1.176 565 N CA -0.082 52.749 53.050 -0.365 0.000 0.882 565 N CB 0.394 38.559 38.487 -0.538 0.000 1.134 565 N HN 0.438 nan 8.380 nan 0.000 0.489 566 L N 1.929 123.063 121.223 -0.148 0.000 2.185 566 L HA 0.214 4.515 4.340 -0.065 0.000 0.198 566 L C 2.221 179.113 176.870 0.037 0.000 1.079 566 L CA 1.645 56.478 54.840 -0.012 0.000 0.780 566 L CB -0.563 41.575 42.059 0.133 0.000 0.955 566 L HN -0.147 nan 8.230 nan 0.000 0.462 567 K N -0.828 119.579 120.400 0.010 0.000 2.074 567 K HA -0.194 4.086 4.320 -0.065 0.000 0.209 567 K C 1.956 178.546 176.600 -0.016 0.000 1.048 567 K CA 1.805 58.093 56.287 0.003 0.000 0.926 567 K CB -0.343 31.964 32.500 -0.321 0.000 0.713 567 K HN 0.246 nan 8.250 nan 0.000 0.444 568 V N 1.636 121.504 119.914 -0.076 0.000 3.186 568 V HA -0.160 3.921 4.120 -0.065 0.000 0.270 568 V C 1.655 177.732 176.094 -0.028 0.000 1.149 568 V CA 1.383 63.648 62.300 -0.059 0.000 1.160 568 V CB -0.446 31.324 31.823 -0.088 0.000 0.758 568 V HN 0.329 nan 8.190 nan 0.000 0.516 569 R N -1.103 119.389 120.500 -0.014 0.000 2.265 569 R HA 0.258 4.559 4.340 -0.065 0.000 0.194 569 R C 1.715 178.029 176.300 0.024 0.000 0.931 569 R CA 0.468 56.569 56.100 -0.000 0.000 1.032 569 R CB -0.005 30.291 30.300 -0.006 0.000 0.980 569 R HN 0.446 nan 8.270 nan 0.000 0.497 570 L N 0.059 121.309 121.223 0.045 0.000 2.269 570 L HA 0.292 4.593 4.340 -0.065 0.000 0.200 570 L C 1.312 178.207 176.870 0.042 0.000 1.069 570 L CA 0.228 55.101 54.840 0.055 0.000 0.804 570 L CB -0.378 41.739 42.059 0.096 0.000 0.987 570 L HN -0.044 nan 8.230 nan 0.000 0.468 571 A N 0.468 123.314 122.820 0.042 0.000 2.310 571 A HA 0.596 4.877 4.320 -0.065 0.000 0.260 571 A C 0.350 177.943 177.584 0.014 0.000 1.112 571 A CA 0.213 52.266 52.037 0.026 0.000 0.804 571 A CB 0.138 19.151 19.000 0.022 0.000 1.081 571 A HN 0.236 nan 8.150 nan 0.000 0.499 579 S N -1.310 114.386 115.700 -0.007 0.000 2.345 579 S HA 0.169 4.599 4.470 -0.065 0.000 0.220 579 S C 0.347 174.994 174.600 0.079 0.000 1.031 579 S CA 1.313 59.547 58.200 0.058 0.000 0.996 579 S CB -0.211 63.065 63.200 0.126 0.000 0.882 579 S HN 0.476 nan 8.310 nan 0.000 0.445 580 Y N -0.272 119.935 120.300 -0.156 0.000 2.512 580 Y HA 0.553 5.065 4.550 -0.063 0.000 0.348 580 Y C -0.001 175.803 175.900 -0.159 0.000 0.990 580 Y CA -1.379 56.615 58.100 -0.176 0.000 1.033 580 Y CB 1.766 40.138 38.460 -0.146 0.000 1.259 580 Y HN 0.069 nan 8.280 nan 0.000 0.461 581 V N -0.016 119.856 119.914 -0.069 0.000 3.229 581 V HA 0.794 4.875 4.120 -0.065 0.000 0.310 581 V C -0.821 175.256 176.094 -0.028 0.000 1.206 581 V CA -1.263 60.992 62.300 -0.073 0.000 1.051 581 V CB 2.169 33.900 31.823 -0.153 0.000 1.183 581 V HN 0.675 nan 8.190 nan 0.000 0.466 582 R N 0.773 121.256 120.500 -0.029 0.000 2.740 582 R HA 0.801 5.102 4.340 -0.065 0.000 0.282 582 R C -1.383 174.910 176.300 -0.012 0.000 0.969 582 R CA -0.638 55.460 56.100 -0.004 0.000 0.918 582 R CB 1.815 32.125 30.300 0.018 0.000 1.175 582 R HN 0.775 nan 8.270 nan 0.000 0.464 583 L N 2.169 123.404 121.223 0.020 0.000 2.388 583 L HA 0.514 4.815 4.340 -0.065 0.000 0.264 583 L C -2.372 174.545 176.870 0.078 0.000 0.998 583 L CA -2.459 52.421 54.840 0.066 0.000 0.817 583 L CB 2.697 44.849 42.059 0.155 0.000 1.338 583 L HN 0.255 nan 8.230 nan 0.000 0.414 584 P HA 0.065 nan 4.420 nan 0.000 0.272 584 P C -0.794 176.324 177.300 -0.303 0.000 1.230 584 P CA -0.403 62.618 63.100 -0.131 0.000 0.788 584 P CB 0.849 32.460 31.700 -0.149 0.000 0.949 585 S N 1.697 117.126 115.700 -0.452 0.000 2.508 585 S HA 0.364 4.794 4.470 -0.065 0.000 0.284 585 S C -1.514 172.444 174.600 -1.070 0.000 1.192 585 S CA -1.362 56.325 58.200 -0.855 0.000 1.070 585 S CB 0.578 63.260 63.200 -0.863 0.000 1.004 585 S HN 0.275 nan 8.310 nan 0.000 0.493 586 P HA 0.006 nan 4.420 nan 0.000 0.221 586 P C 0.128 177.084 177.300 -0.573 0.000 1.145 586 P CA 0.991 63.366 63.100 -1.208 0.000 0.795 586 P CB -0.230 30.258 31.700 -2.020 0.000 0.775 587 W N 0.000 121.108 121.300 -0.319 0.000 2.388 587 W HA 0.000 4.623 4.660 -0.062 0.000 0.303 587 W CA 0.000 57.255 57.345 -0.150 0.000 1.226 587 W CB 0.000 29.418 29.460 -0.071 0.000 1.126 587 W HN 0.000 nan 8.180 nan 0.000 0.535