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 3m8z_1_A DATA FIRST_RESID 2 DATA SEQUENCE NKYKRIFLVV MDSVGIGEAP DAEQFGDLGS DTIGHIAEHM NGLQMPNMVK DATA SEQUENCE LGLGNIREMK GISKVEKPLG YYTKMQEKST GKDTMTGHWE IMGLYIDTPF DATA SEQUENCE QVFPEGFPKE LLDELEEKTG RKIIGNKPAS GTEILDELGQ EQMETGSLIV DATA SEQUENCE YTSADSVLQI AAHEEVVPLD ELYKICKIAR ELTLDEKYMV GRVIARPFVG DATA SEQUENCE EPGNFTRTPN RHDYALKPFG RTVMNELKDS DYDVIAIGKI SDIYDGEGVT DATA SEQUENCE ESLRTKSNMD GMDKLVDTLN MDFTGLSFLN LVDFDALFGH RRDPQGYGEA DATA SEQUENCE LQEYDARLPE VFAKLKEDDL LLITADHGND PIHPGTDHTR EYVPLLAYSP DATA SEQUENCE SMKEGGQELP LRQTFADIGA TVAENFGVKM PEYGTSFLNE L 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.392 175.510 -0.196 0.000 1.280 2 N CA 0.000 52.990 53.050 -0.100 0.000 0.885 2 N CB 0.000 38.462 38.487 -0.042 0.000 1.341 3 K N 0.545 120.756 120.400 -0.315 0.000 2.002 3 K HA -0.015 4.434 4.320 0.215 0.000 0.209 3 K C -0.339 175.842 176.600 -0.697 0.000 1.048 3 K CA 1.557 57.535 56.287 -0.515 0.000 0.930 3 K CB 0.084 32.220 32.500 -0.607 0.000 0.714 3 K HN 0.501 nan 8.250 nan 0.000 0.438 4 Y N 0.073 120.225 120.300 -0.247 0.000 2.377 4 Y HA 0.195 4.879 4.550 0.222 0.000 0.339 4 Y C 0.860 176.654 175.900 -0.175 0.000 1.011 4 Y CA -0.767 57.212 58.100 -0.202 0.000 1.093 4 Y CB 1.841 40.174 38.460 -0.211 0.000 1.201 4 Y HN -0.148 nan 8.280 nan 0.000 0.455 5 K N 1.929 122.394 120.400 0.109 0.000 2.116 5 K HA 0.154 4.602 4.320 0.215 0.000 0.203 5 K C -0.200 176.522 176.600 0.203 0.000 1.052 5 K CA 0.995 57.373 56.287 0.151 0.000 0.952 5 K CB 0.346 32.882 32.500 0.060 0.000 0.729 5 K HN 0.662 nan 8.250 nan 0.000 0.446 6 R N 0.422 120.976 120.500 0.091 0.000 2.628 6 R HA 0.435 4.904 4.340 0.215 0.000 0.288 6 R C -1.116 175.177 176.300 -0.011 0.000 0.980 6 R CA -0.614 55.444 56.100 -0.071 0.000 0.891 6 R CB 2.065 32.055 30.300 -0.517 0.000 1.188 6 R HN 0.018 nan 8.270 nan 0.000 0.450 7 I N 2.963 123.526 120.570 -0.012 0.000 2.406 7 I HA 0.357 4.656 4.170 0.215 0.000 0.290 7 I C -0.917 175.087 176.117 -0.189 0.000 0.999 7 I CA -0.675 60.599 61.300 -0.044 0.000 1.124 7 I CB 1.369 39.383 38.000 0.023 0.000 1.289 7 I HN 0.409 nan 8.210 nan 0.000 0.441 8 F N 7.009 127.035 119.950 0.127 0.000 2.361 8 F HA 0.413 5.063 4.527 0.205 0.000 0.364 8 F C -0.255 175.606 175.800 0.101 0.000 1.117 8 F CA -0.709 57.386 58.000 0.158 0.000 1.071 8 F CB 1.304 40.411 39.000 0.178 0.000 1.188 8 F HN 0.222 nan 8.300 nan 0.000 0.464 9 L N 5.469 126.800 121.223 0.180 0.000 2.287 9 L HA 0.717 5.186 4.340 0.215 0.000 0.287 9 L C -1.116 175.902 176.870 0.246 0.000 1.022 9 L CA -0.613 54.272 54.840 0.075 0.000 0.814 9 L CB 1.344 43.223 42.059 -0.299 0.000 1.217 9 L HN 0.316 nan 8.230 nan 0.000 0.420 10 V N 6.145 126.201 119.914 0.238 0.000 2.378 10 V HA 0.432 4.680 4.120 0.215 0.000 0.288 10 V C -0.325 175.895 176.094 0.209 0.000 1.016 10 V CA -0.709 61.752 62.300 0.268 0.000 0.840 10 V CB 1.770 33.748 31.823 0.258 0.000 0.994 10 V HN 0.504 nan 8.190 nan 0.000 0.431 11 V N 6.644 126.711 119.914 0.255 0.000 2.364 11 V HA 0.358 4.607 4.120 0.215 0.000 0.272 11 V C 0.305 176.457 176.094 0.096 0.000 1.036 11 V CA -0.303 62.085 62.300 0.146 0.000 0.880 11 V CB 1.316 33.254 31.823 0.190 0.000 0.991 11 V HN 0.840 nan 8.190 nan 0.000 0.460 12 M N 4.519 124.120 119.600 0.001 0.000 2.201 12 M HA 0.240 4.849 4.480 0.215 0.000 0.345 12 M C 0.173 176.482 176.300 0.015 0.000 1.352 12 M CA -0.013 55.288 55.300 0.002 0.000 1.218 12 M CB 0.080 32.512 32.600 -0.280 0.000 1.512 12 M HN 0.538 nan 8.290 nan 0.000 0.447 13 D N 2.861 123.358 120.400 0.161 0.000 2.401 13 D HA -0.003 4.766 4.640 0.215 0.000 0.254 13 D C 0.665 176.928 176.300 -0.062 0.000 1.192 13 D CA 1.077 55.095 54.000 0.030 0.000 0.885 13 D CB 0.707 41.559 40.800 0.086 0.000 1.147 13 D HN 0.948 nan 8.370 nan 0.000 0.478 14 S N 1.273 116.732 115.700 -0.402 0.000 2.857 14 S HA -0.200 4.399 4.470 0.215 0.000 0.268 14 S C 0.191 174.704 174.600 -0.145 0.000 1.297 14 S CA 0.708 58.648 58.200 -0.433 0.000 1.280 14 S CB -1.991 61.141 63.200 -0.114 0.000 1.562 14 S HN 0.274 nan 8.310 nan 0.000 0.661 15 V N 2.884 122.698 119.914 -0.166 0.000 2.149 15 V HA 0.578 4.827 4.120 0.215 0.000 0.245 15 V C 1.477 177.467 176.094 -0.173 0.000 1.349 15 V CA 0.154 62.349 62.300 -0.175 0.000 1.289 15 V CB -0.557 31.072 31.823 -0.322 0.000 1.401 15 V HN 0.721 nan 8.190 nan 0.000 0.501 16 G N 2.187 110.902 108.800 -0.141 0.000 2.539 16 G HA2 0.487 4.576 3.960 0.215 0.000 0.258 16 G HA3 0.487 4.576 3.960 0.215 0.000 0.258 16 G C 0.082 174.923 174.900 -0.098 0.000 1.202 16 G CA -0.442 44.598 45.100 -0.100 0.000 0.851 16 G HN 0.615 nan 8.290 nan 0.000 0.556 17 I N 0.752 121.298 120.570 -0.039 0.000 3.569 17 I HA 0.497 4.796 4.170 0.215 0.000 0.334 17 I C 0.520 176.639 176.117 0.003 0.000 1.570 17 I CA 0.511 61.786 61.300 -0.042 0.000 1.082 17 I CB -0.262 37.713 38.000 -0.042 0.000 1.323 17 I HN 0.954 nan 8.210 nan 0.000 0.489 18 G N 1.725 110.525 108.800 -0.001 0.000 2.528 18 G HA2 -0.091 3.998 3.960 0.215 0.000 0.681 18 G HA3 -0.091 3.998 3.960 0.215 0.000 0.681 18 G C -0.642 174.295 174.900 0.061 0.000 1.340 18 G CA -0.523 44.586 45.100 0.016 0.000 0.855 18 G HN 0.496 nan 8.290 nan 0.000 0.649 19 E N 0.816 121.015 120.200 -0.002 0.000 2.568 19 E HA 0.401 4.880 4.350 0.215 0.000 0.262 19 E C 0.788 177.311 176.600 -0.128 0.000 0.961 19 E CA 0.331 56.698 56.400 -0.055 0.000 0.945 19 E CB 0.837 30.523 29.700 -0.024 0.000 0.924 19 E HN 1.613 nan 8.360 nan 0.000 0.467 20 A N 4.251 126.886 122.820 -0.309 0.000 2.313 20 A HA 0.281 4.730 4.320 0.215 0.000 0.261 20 A C -1.515 175.889 177.584 -0.300 0.000 1.090 20 A CA -1.385 50.297 52.037 -0.591 0.000 0.807 20 A CB 0.090 18.765 19.000 -0.543 0.000 1.055 20 A HN 0.652 nan 8.150 nan 0.000 0.492 21 P HA -0.124 nan 4.420 nan 0.000 0.219 21 P C 0.161 177.445 177.300 -0.027 0.000 1.146 21 P CA 1.682 64.740 63.100 -0.070 0.000 0.808 21 P CB 0.039 31.723 31.700 -0.026 0.000 0.779 22 D N -1.852 118.525 120.400 -0.039 0.000 2.388 22 D HA 0.190 4.959 4.640 0.215 0.000 0.221 22 D C 1.399 177.793 176.300 0.155 0.000 1.133 22 D CA -0.255 53.791 54.000 0.076 0.000 0.831 22 D CB -0.737 40.147 40.800 0.140 0.000 0.962 22 D HN -0.001 nan 8.370 nan 0.000 0.502 23 A N 1.092 123.933 122.820 0.034 0.000 1.940 23 A HA -0.273 4.176 4.320 0.215 0.000 0.219 23 A C 2.114 179.804 177.584 0.178 0.000 1.176 23 A CA 1.676 53.745 52.037 0.053 0.000 0.631 23 A CB -0.678 18.309 19.000 -0.020 0.000 0.814 23 A HN 0.368 nan 8.150 nan 0.000 0.446 24 E N -0.342 119.939 120.200 0.134 0.000 2.118 24 E HA -0.277 4.202 4.350 0.215 0.000 0.195 24 E C 2.090 178.762 176.600 0.120 0.000 0.992 24 E CA 1.421 57.889 56.400 0.114 0.000 0.804 24 E CB -0.178 29.565 29.700 0.072 0.000 0.741 24 E HN 0.771 nan 8.360 nan 0.000 0.458 25 Q N -0.950 118.930 119.800 0.133 0.000 2.234 25 Q HA -0.158 4.311 4.340 0.215 0.000 0.206 25 Q C 1.194 177.133 176.000 -0.103 0.000 0.980 25 Q CA 1.424 57.221 55.803 -0.010 0.000 0.869 25 Q CB -0.034 28.649 28.738 -0.092 0.000 0.912 25 Q HN 0.365 nan 8.270 nan 0.000 0.436 26 F N -1.484 118.467 119.950 0.001 0.000 2.695 26 F HA 0.292 4.949 4.527 0.217 0.000 0.303 26 F C 1.212 177.033 175.800 0.034 0.000 1.091 26 F CA 0.098 58.102 58.000 0.007 0.000 1.300 26 F CB 0.999 39.998 39.000 -0.000 0.000 1.071 26 F HN 0.038 nan 8.300 nan 0.000 0.578 27 G N 0.984 109.904 108.800 0.201 0.000 2.246 27 G HA2 -0.272 3.817 3.960 0.215 0.000 0.273 27 G HA3 -0.272 3.817 3.960 0.215 0.000 0.273 27 G C 0.092 175.142 174.900 0.250 0.000 1.055 27 G CA 0.443 45.646 45.100 0.171 0.000 0.851 27 G HN 0.360 nan 8.290 nan 0.000 0.500 28 D N -0.227 120.307 120.400 0.223 0.000 2.501 28 D HA 0.182 4.951 4.640 0.215 0.000 0.224 28 D C 1.501 177.888 176.300 0.146 0.000 1.202 28 D CA -0.299 53.805 54.000 0.173 0.000 0.829 28 D CB 0.255 41.058 40.800 0.005 0.000 1.023 28 D HN 0.478 nan 8.370 nan 0.000 0.499 29 L N 0.255 121.573 121.223 0.158 0.000 2.525 29 L HA 0.172 4.641 4.340 0.215 0.000 0.278 29 L C 1.723 178.691 176.870 0.162 0.000 1.218 29 L CA 0.919 55.832 54.840 0.122 0.000 0.878 29 L CB 0.401 42.519 42.059 0.097 0.000 1.127 29 L HN 0.323 nan 8.230 nan 0.000 0.492 30 G N 1.528 110.404 108.800 0.126 0.000 2.217 30 G HA2 -0.294 3.795 3.960 0.215 0.000 0.246 30 G HA3 -0.294 3.795 3.960 0.215 0.000 0.246 30 G C 0.326 175.344 174.900 0.198 0.000 0.990 30 G CA 0.191 45.390 45.100 0.166 0.000 0.627 30 G HN 0.780 nan 8.290 nan 0.000 0.522 31 S N 0.045 115.813 115.700 0.115 0.000 2.572 31 S HA 0.491 5.090 4.470 0.215 0.000 0.279 31 S C -0.227 174.315 174.600 -0.097 0.000 1.341 31 S CA 0.658 58.864 58.200 0.009 0.000 1.043 31 S CB 2.084 65.154 63.200 -0.217 0.000 0.887 31 S HN 0.824 nan 8.310 nan 0.000 0.516 32 D N 0.843 121.131 120.400 -0.187 0.000 2.492 32 D HA 0.176 4.944 4.640 0.215 0.000 0.229 32 D C 0.662 176.787 176.300 -0.292 0.000 1.345 32 D CA -0.334 53.466 54.000 -0.333 0.000 0.912 32 D CB 0.210 40.632 40.800 -0.630 0.000 1.526 32 D HN 0.458 nan 8.370 nan 0.000 0.505 33 T N 1.958 116.399 114.554 -0.189 0.000 2.595 33 T HA -0.077 4.402 4.350 0.215 0.000 0.264 33 T C 2.104 176.632 174.700 -0.288 0.000 1.058 33 T CA 1.293 63.261 62.100 -0.220 0.000 1.166 33 T CB -0.052 68.688 68.868 -0.214 0.000 0.863 33 T HN 0.465 nan 8.240 nan 0.000 0.415 34 I N 1.106 121.522 120.570 -0.256 0.000 2.226 34 I HA -0.074 4.225 4.170 0.215 0.000 0.245 34 I C 2.908 178.923 176.117 -0.169 0.000 1.100 34 I CA 1.271 62.433 61.300 -0.231 0.000 1.374 34 I CB -0.771 37.124 38.000 -0.176 0.000 1.057 34 I HN 0.335 nan 8.210 nan 0.000 0.413 35 G N -0.232 108.463 108.800 -0.176 0.000 2.418 35 G HA2 -0.246 3.843 3.960 0.215 0.000 0.217 35 G HA3 -0.246 3.843 3.960 0.215 0.000 0.217 35 G C 1.443 176.301 174.900 -0.069 0.000 1.158 35 G CA 0.858 45.870 45.100 -0.146 0.000 0.771 35 G HN 0.455 nan 8.290 nan 0.000 0.545 36 H N -0.209 118.824 119.070 -0.062 0.000 2.395 36 H HA 0.109 4.794 4.556 0.214 0.000 0.299 36 H C 2.612 177.920 175.328 -0.033 0.000 1.070 36 H CA 0.540 56.567 56.048 -0.035 0.000 1.356 36 H CB 0.112 29.857 29.762 -0.028 0.000 1.401 36 H HN 0.302 nan 8.280 nan 0.000 0.524 37 I N 0.672 121.249 120.570 0.011 0.000 2.179 37 I HA -0.272 4.027 4.170 0.215 0.000 0.242 37 I C 2.764 178.900 176.117 0.033 0.000 1.088 37 I CA 0.937 62.218 61.300 -0.032 0.000 1.357 37 I CB -0.289 37.589 38.000 -0.205 0.000 1.051 37 I HN 0.295 nan 8.210 nan 0.000 0.409 38 A N 0.351 123.167 122.820 -0.007 0.000 1.940 38 A HA -0.247 4.202 4.320 0.215 0.000 0.219 38 A C 2.208 179.807 177.584 0.025 0.000 1.176 38 A CA 1.859 53.896 52.037 0.000 0.000 0.631 38 A CB -0.604 18.380 19.000 -0.026 0.000 0.814 38 A HN 0.484 nan 8.150 nan 0.000 0.446 39 E N -1.640 118.592 120.200 0.053 0.000 2.072 39 E HA -0.207 4.272 4.350 0.215 0.000 0.191 39 E C 1.947 178.579 176.600 0.052 0.000 0.985 39 E CA 1.252 57.685 56.400 0.055 0.000 0.801 39 E CB -0.291 29.462 29.700 0.088 0.000 0.750 39 E HN 0.893 nan 8.360 nan 0.000 0.452 40 H N 0.426 119.501 119.070 0.009 0.000 2.352 40 H HA -0.070 4.615 4.556 0.214 0.000 0.299 40 H C 1.719 177.046 175.328 -0.001 0.000 1.097 40 H CA 1.528 57.577 56.048 0.003 0.000 1.311 40 H CB 0.160 29.925 29.762 0.004 0.000 1.377 40 H HN 0.016 nan 8.280 nan 0.000 0.504 41 M N 0.367 119.982 119.600 0.025 0.000 2.659 41 M HA -0.021 4.588 4.480 0.215 0.000 0.243 41 M C 0.783 177.049 176.300 -0.057 0.000 1.111 41 M CA 0.541 55.832 55.300 -0.015 0.000 1.070 41 M CB -1.118 31.508 32.600 0.044 0.000 1.525 41 M HN 0.406 nan 8.290 nan 0.000 0.517 42 N N 2.114 120.776 118.700 -0.063 0.000 2.727 42 N HA -0.130 4.738 4.740 0.215 0.000 0.249 42 N C -0.053 175.440 175.510 -0.029 0.000 1.048 42 N CA 1.249 54.271 53.050 -0.048 0.000 0.714 42 N CB -1.021 37.429 38.487 -0.060 0.000 0.959 42 N HN 0.727 nan 8.380 nan 0.000 0.544 43 G N -0.476 108.312 108.800 -0.019 0.000 3.435 43 G HA2 -0.071 4.018 3.960 0.215 0.000 0.683 43 G HA3 -0.071 4.018 3.960 0.215 0.000 0.683 43 G C -0.548 174.344 174.900 -0.012 0.000 1.189 43 G CA -0.320 44.769 45.100 -0.017 0.000 1.069 43 G HN 0.361 nan 8.290 nan 0.000 0.508 44 L N 1.901 123.117 121.223 -0.012 0.000 2.367 44 L HA 0.320 4.789 4.340 0.215 0.000 0.275 44 L C 1.143 178.008 176.870 -0.008 0.000 1.129 44 L CA -0.169 54.667 54.840 -0.006 0.000 0.839 44 L CB 0.950 43.001 42.059 -0.013 0.000 1.133 44 L HN 0.643 nan 8.230 nan 0.000 0.453 45 Q N 5.618 125.418 119.800 -0.001 0.000 2.566 45 Q HA 0.308 4.777 4.340 0.215 0.000 0.221 45 Q C -0.568 175.431 176.000 -0.002 0.000 1.195 45 Q CA 0.280 56.080 55.803 -0.005 0.000 0.967 45 Q CB 0.647 29.382 28.738 -0.005 0.000 1.337 45 Q HN 0.569 nan 8.270 nan 0.000 0.553 46 M N 3.106 122.702 119.600 -0.008 0.000 2.952 46 M HA 0.198 4.807 4.480 0.215 0.000 0.259 46 M C -1.882 174.407 176.300 -0.019 0.000 1.306 46 M CA -1.517 53.779 55.300 -0.006 0.000 0.626 46 M CB 1.096 33.705 32.600 0.014 0.000 1.423 46 M HN 0.209 nan 8.290 nan 0.000 0.459 47 P HA -0.117 nan 4.420 nan 0.000 0.220 47 P C 0.350 177.643 177.300 -0.011 0.000 1.148 47 P CA 1.647 64.733 63.100 -0.024 0.000 0.803 47 P CB 0.071 31.757 31.700 -0.023 0.000 0.782 48 N N -0.907 117.788 118.700 -0.008 0.000 2.207 48 N HA -0.011 4.858 4.740 0.215 0.000 0.182 48 N C 1.981 177.546 175.510 0.092 0.000 1.020 48 N CA 0.907 53.994 53.050 0.062 0.000 0.858 48 N CB -0.442 38.024 38.487 -0.035 0.000 0.991 48 N HN -0.060 nan 8.380 nan 0.000 0.427 49 M N 0.500 120.121 119.600 0.036 0.000 2.159 49 M HA -0.084 4.524 4.480 0.215 0.000 0.263 49 M C 1.956 178.250 176.300 -0.009 0.000 1.063 49 M CA 0.985 56.314 55.300 0.048 0.000 1.110 49 M CB -0.789 31.849 32.600 0.063 0.000 1.374 49 M HN 0.040 nan 8.290 nan 0.000 0.411 50 V N 0.487 120.382 119.914 -0.030 0.000 2.287 50 V HA -0.293 3.956 4.120 0.215 0.000 0.248 50 V C 2.344 178.380 176.094 -0.096 0.000 1.053 50 V CA 1.743 64.001 62.300 -0.070 0.000 1.027 50 V CB -0.653 31.133 31.823 -0.061 0.000 0.646 50 V HN 0.467 nan 8.190 nan 0.000 0.447 51 K N -0.452 119.902 120.400 -0.077 0.000 2.147 51 K HA -0.118 4.330 4.320 0.215 0.000 0.205 51 K C 2.019 178.501 176.600 -0.197 0.000 1.049 51 K CA 1.248 57.460 56.287 -0.124 0.000 0.936 51 K CB -0.245 32.196 32.500 -0.099 0.000 0.722 51 K HN 0.381 nan 8.250 nan 0.000 0.446 52 L N -0.927 120.196 121.223 -0.167 0.000 2.217 52 L HA -0.054 4.415 4.340 0.215 0.000 0.211 52 L C 1.281 178.067 176.870 -0.140 0.000 1.107 52 L CA 1.036 55.761 54.840 -0.192 0.000 0.783 52 L CB 0.016 42.031 42.059 -0.073 0.000 0.919 52 L HN 0.521 nan 8.230 nan 0.000 0.442 53 G N -1.183 107.515 108.800 -0.171 0.000 2.155 53 G HA2 -0.212 3.876 3.960 0.215 0.000 0.130 53 G HA3 -0.212 3.876 3.960 0.215 0.000 0.130 53 G C 0.498 175.225 174.900 -0.289 0.000 1.027 53 G CA 0.076 44.988 45.100 -0.312 0.000 0.705 53 G HN 0.109 nan 8.290 nan 0.000 0.496 54 L N 1.549 122.682 121.223 -0.150 0.000 2.043 54 L HA 0.187 4.656 4.340 0.215 0.000 0.212 54 L C 2.559 179.343 176.870 -0.144 0.000 1.075 54 L CA 3.579 58.355 54.840 -0.108 0.000 0.752 54 L CB -0.751 41.274 42.059 -0.057 0.000 0.891 54 L HN 0.364 nan 8.230 nan 0.000 0.432 55 G N -1.065 107.638 108.800 -0.162 0.000 2.443 55 G HA2 -0.256 3.833 3.960 0.215 0.000 0.219 55 G HA3 -0.256 3.833 3.960 0.215 0.000 0.219 55 G C 1.409 176.186 174.900 -0.205 0.000 1.131 55 G CA 0.707 45.714 45.100 -0.155 0.000 0.775 55 G HN 0.551 nan 8.290 nan 0.000 0.547 56 N N 0.351 118.841 118.700 -0.350 0.000 2.309 56 N HA -0.035 4.834 4.740 0.215 0.000 0.182 56 N C 2.103 177.433 175.510 -0.299 0.000 1.018 56 N CA 0.723 53.473 53.050 -0.500 0.000 0.876 56 N CB -0.000 37.767 38.487 -1.199 0.000 0.972 56 N HN 0.354 nan 8.380 nan 0.000 0.434 57 I N -0.029 120.426 120.570 -0.192 0.000 2.193 57 I HA -0.091 4.208 4.170 0.215 0.000 0.240 57 I C 1.105 177.186 176.117 -0.059 0.000 1.084 57 I CA 0.824 62.115 61.300 -0.015 0.000 1.365 57 I CB 0.133 38.128 38.000 -0.008 0.000 1.064 57 I HN -0.026 nan 8.210 nan 0.000 0.410 58 R N 0.850 121.298 120.500 -0.087 0.000 2.560 58 R HA 0.221 4.689 4.340 0.215 0.000 0.267 58 R C -1.278 174.973 176.300 -0.083 0.000 1.150 58 R CA -0.459 55.593 56.100 -0.080 0.000 0.997 58 R CB 1.481 31.734 30.300 -0.079 0.000 1.250 58 R HN 0.049 nan 8.270 nan 0.000 0.433 59 E N 4.529 124.685 120.200 -0.073 0.000 2.289 59 E HA 0.265 4.744 4.350 0.215 0.000 0.278 59 E C -0.303 176.262 176.600 -0.059 0.000 1.032 59 E CA 0.153 56.512 56.400 -0.068 0.000 0.854 59 E CB 1.427 31.090 29.700 -0.061 0.000 1.046 59 E HN 0.355 nan 8.360 nan 0.000 0.409 60 M N 1.419 120.985 119.600 -0.058 0.000 2.704 60 M HA 0.295 4.904 4.480 0.215 0.000 0.284 60 M C -0.528 175.747 176.300 -0.041 0.000 1.275 60 M CA -0.942 54.328 55.300 -0.051 0.000 0.811 60 M CB 1.905 34.468 32.600 -0.063 0.000 1.741 60 M HN 0.141 nan 8.290 nan 0.000 0.458 61 K N 0.635 121.016 120.400 -0.031 0.000 2.419 61 K HA 0.243 4.692 4.320 0.215 0.000 0.282 61 K C 0.834 177.417 176.600 -0.027 0.000 1.056 61 K CA 1.491 57.764 56.287 -0.024 0.000 1.035 61 K CB -0.190 32.301 32.500 -0.014 0.000 0.921 61 K HN 0.823 nan 8.250 nan 0.000 0.472 62 G N 3.826 112.609 108.800 -0.029 0.000 2.205 62 G HA2 -0.263 3.826 3.960 0.215 0.000 0.261 62 G HA3 -0.263 3.826 3.960 0.215 0.000 0.261 62 G C 0.118 174.996 174.900 -0.036 0.000 0.980 62 G CA 0.224 45.306 45.100 -0.029 0.000 0.632 62 G HN 0.610 nan 8.290 nan 0.000 0.533 63 I N 2.186 122.730 120.570 -0.043 0.000 2.428 63 I HA 0.457 4.756 4.170 0.215 0.000 0.279 63 I C -0.002 176.076 176.117 -0.064 0.000 1.040 63 I CA -0.396 60.872 61.300 -0.053 0.000 1.171 63 I CB 1.646 39.612 38.000 -0.056 0.000 1.312 63 I HN 0.038 nan 8.210 nan 0.000 0.470 64 S N 4.769 120.429 115.700 -0.068 0.000 2.638 64 S HA 0.460 5.059 4.470 0.215 0.000 0.298 64 S C -0.254 174.286 174.600 -0.100 0.000 1.111 64 S CA -0.910 57.245 58.200 -0.075 0.000 1.027 64 S CB 1.662 64.825 63.200 -0.061 0.000 1.064 64 S HN 0.596 nan 8.310 nan 0.000 0.525 65 K N 0.313 120.646 120.400 -0.110 0.000 2.276 65 K HA 0.445 4.894 4.320 0.215 0.000 0.259 65 K C -0.180 176.341 176.600 -0.132 0.000 1.001 65 K CA -0.661 55.536 56.287 -0.149 0.000 0.927 65 K CB 0.199 32.613 32.500 -0.144 0.000 0.969 65 K HN 0.339 nan 8.250 nan 0.000 0.490 66 V N -1.389 118.428 119.914 -0.161 0.000 2.815 66 V HA 0.248 4.497 4.120 0.215 0.000 0.314 66 V C 0.959 176.983 176.094 -0.117 0.000 1.064 66 V CA -0.811 61.413 62.300 -0.127 0.000 0.952 66 V CB 1.661 33.407 31.823 -0.129 0.000 1.020 66 V HN 1.083 nan 8.190 nan 0.000 0.439 67 E N 1.345 121.495 120.200 -0.084 0.000 2.106 67 E HA -0.062 4.417 4.350 0.215 0.000 0.192 67 E C 0.883 177.444 176.600 -0.065 0.000 0.984 67 E CA 1.040 57.401 56.400 -0.065 0.000 0.806 67 E CB 0.262 29.933 29.700 -0.050 0.000 0.750 67 E HN 0.698 nan 8.360 nan 0.000 0.458 68 K N 1.436 121.791 120.400 -0.076 0.000 2.624 68 K HA 0.251 4.700 4.320 0.215 0.000 0.200 68 K C -2.665 173.874 176.600 -0.102 0.000 1.036 68 K CA -2.107 54.135 56.287 -0.075 0.000 1.029 68 K CB 1.309 33.773 32.500 -0.061 0.000 1.317 68 K HN -0.056 nan 8.250 nan 0.000 0.555 69 P HA -0.000 nan 4.420 nan 0.000 0.271 69 P C 0.771 177.986 177.300 -0.141 0.000 1.218 69 P CA -0.184 62.829 63.100 -0.145 0.000 0.780 69 P CB 1.025 32.638 31.700 -0.145 0.000 0.901 70 L N 0.549 121.637 121.223 -0.225 0.000 2.083 70 L HA -0.029 4.440 4.340 0.215 0.000 0.209 70 L C 1.583 178.418 176.870 -0.058 0.000 1.083 70 L CA 1.924 56.586 54.840 -0.297 0.000 0.752 70 L CB -0.677 40.888 42.059 -0.822 0.000 0.899 70 L HN 0.575 nan 8.230 nan 0.000 0.433 71 G N -3.069 105.720 108.800 -0.018 0.000 3.086 71 G HA2 0.430 4.519 3.960 0.215 0.000 0.282 71 G HA3 0.430 4.519 3.960 0.215 0.000 0.282 71 G C -1.698 173.260 174.900 0.097 0.000 1.343 71 G CA -0.587 44.626 45.100 0.189 0.000 0.895 71 G HN -0.181 nan 8.290 nan 0.000 0.557 72 Y N -0.437 119.934 120.300 0.118 0.000 2.316 72 Y HA 0.543 5.220 4.550 0.212 0.000 0.324 72 Y C -0.014 175.912 175.900 0.043 0.000 1.267 72 Y CA 0.072 58.180 58.100 0.014 0.000 1.311 72 Y CB 1.556 39.968 38.460 -0.080 0.000 1.267 72 Y HN 0.618 nan 8.280 nan 0.000 0.516 73 Y N -1.448 118.873 120.300 0.036 0.000 2.581 73 Y HA 0.780 5.457 4.550 0.212 0.000 0.337 73 Y C -0.601 175.255 175.900 -0.074 0.000 1.108 73 Y CA -1.096 56.979 58.100 -0.041 0.000 1.033 73 Y CB 1.863 40.289 38.460 -0.056 0.000 1.318 73 Y HN 0.678 nan 8.280 nan 0.000 0.459 74 T N 0.548 115.110 114.554 0.014 0.000 2.660 74 T HA 0.413 4.892 4.350 0.215 0.000 0.299 74 T C -2.104 172.571 174.700 -0.042 0.000 1.763 74 T CA -0.817 61.254 62.100 -0.048 0.000 0.959 74 T CB 1.117 69.893 68.868 -0.154 0.000 1.935 74 T HN 1.033 nan 8.240 nan 0.000 0.470 75 K N 0.785 121.141 120.400 -0.073 0.000 2.306 75 K HA 0.845 5.294 4.320 0.215 0.000 0.236 75 K C -0.805 175.814 176.600 0.032 0.000 1.013 75 K CA -1.100 55.158 56.287 -0.048 0.000 0.857 75 K CB 1.950 34.374 32.500 -0.127 0.000 1.214 75 K HN 0.573 nan 8.250 nan 0.000 0.449 76 M N 1.278 120.966 119.600 0.145 0.000 2.465 76 M HA 0.266 4.875 4.480 0.215 0.000 0.316 76 M C -0.827 175.786 176.300 0.521 0.000 1.121 76 M CA -0.795 54.680 55.300 0.292 0.000 0.934 76 M CB 2.271 35.026 32.600 0.257 0.000 1.692 76 M HN 0.665 nan 8.290 nan 0.000 0.444 77 Q N 1.828 121.898 119.800 0.450 0.000 2.256 77 Q HA 0.288 4.757 4.340 0.215 0.000 0.257 77 Q C -1.048 174.970 176.000 0.031 0.000 0.936 77 Q CA -0.436 55.531 55.803 0.273 0.000 0.903 77 Q CB 1.927 30.787 28.738 0.203 0.000 1.263 77 Q HN 0.676 nan 8.270 nan 0.000 0.440 78 E N 2.854 122.879 120.200 -0.291 0.000 2.289 78 E HA 0.056 4.535 4.350 0.215 0.000 0.278 78 E C -0.057 176.344 176.600 -0.332 0.000 1.032 78 E CA 0.048 55.974 56.400 -0.790 0.000 0.854 78 E CB 0.864 30.050 29.700 -0.858 0.000 1.046 78 E HN 0.575 nan 8.360 nan 0.000 0.409 79 K N 1.607 121.866 120.400 -0.235 0.000 2.202 79 K HA 0.108 4.557 4.320 0.215 0.000 0.201 79 K C 0.308 176.978 176.600 0.117 0.000 1.051 79 K CA 0.038 56.326 56.287 0.002 0.000 0.977 79 K CB 0.410 32.959 32.500 0.081 0.000 0.792 79 K HN 0.389 nan 8.250 nan 0.000 0.469 80 S N 0.718 116.402 115.700 -0.027 0.000 2.576 80 S HA -0.030 4.569 4.470 0.215 0.000 0.272 80 S C 1.201 175.766 174.600 -0.058 0.000 1.352 80 S CA -0.214 57.882 58.200 -0.173 0.000 1.021 80 S CB 1.215 64.267 63.200 -0.246 0.000 0.887 80 S HN 0.215 nan 8.310 nan 0.000 0.542 81 T N 1.765 116.274 114.554 -0.075 0.000 2.737 81 T HA 0.040 4.519 4.350 0.215 0.000 0.265 81 T C 1.171 175.983 174.700 0.187 0.000 1.038 81 T CA 1.156 63.292 62.100 0.060 0.000 1.144 81 T CB -0.455 68.401 68.868 -0.020 0.000 0.866 81 T HN 0.737 nan 8.240 nan 0.000 0.434 82 G N 1.128 109.979 108.800 0.084 0.000 2.562 82 G HA2 0.450 4.539 3.960 0.215 0.000 0.275 82 G HA3 0.450 4.539 3.960 0.215 0.000 0.275 82 G C 0.156 175.110 174.900 0.091 0.000 1.196 82 G CA -0.695 44.491 45.100 0.142 0.000 0.908 82 G HN 0.507 nan 8.290 nan 0.000 0.524 83 K N -0.809 119.645 120.400 0.089 0.000 2.676 83 K HA 0.240 4.689 4.320 0.215 0.000 0.205 83 K C -0.608 175.953 176.600 -0.065 0.000 1.084 83 K CA -0.405 55.871 56.287 -0.019 0.000 1.057 83 K CB 0.284 32.722 32.500 -0.103 0.000 0.791 83 K HN 0.582 nan 8.250 nan 0.000 0.484 84 D N -0.382 120.013 120.400 -0.008 0.000 2.432 84 D HA 0.123 4.892 4.640 0.215 0.000 0.258 84 D C 0.665 176.898 176.300 -0.113 0.000 1.146 84 D CA -0.727 53.257 54.000 -0.028 0.000 1.015 84 D CB 1.200 42.023 40.800 0.039 0.000 1.107 84 D HN -0.141 nan 8.370 nan 0.000 0.529 85 T N -0.130 114.387 114.554 -0.062 0.000 2.746 85 T HA -0.146 4.333 4.350 0.215 0.000 0.267 85 T C 1.816 176.434 174.700 -0.136 0.000 1.039 85 T CA 1.330 63.463 62.100 0.054 0.000 1.142 85 T CB -0.196 68.682 68.868 0.016 0.000 0.866 85 T HN 0.392 nan 8.240 nan 0.000 0.444 86 M N 1.372 120.680 119.600 -0.486 0.000 2.065 86 M HA -0.074 4.535 4.480 0.215 0.000 0.259 86 M C 2.512 178.219 176.300 -0.988 0.000 1.069 86 M CA 1.696 56.357 55.300 -1.065 0.000 1.110 86 M CB -2.300 29.334 32.600 -1.610 0.000 1.328 86 M HN 0.159 nan 8.290 nan 0.000 0.405 87 T N 1.284 115.549 114.554 -0.481 0.000 2.635 87 T HA -0.123 4.355 4.350 0.215 0.000 0.267 87 T C 1.987 176.697 174.700 0.016 0.000 1.040 87 T CA 2.099 64.098 62.100 -0.169 0.000 1.156 87 T CB -0.986 67.862 68.868 -0.034 0.000 0.863 87 T HN 0.653 nan 8.240 nan 0.000 0.430 88 G N 0.813 109.683 108.800 0.115 0.000 2.446 88 G HA2 -0.259 3.830 3.960 0.215 0.000 0.217 88 G HA3 -0.259 3.830 3.960 0.215 0.000 0.217 88 G C 1.390 176.487 174.900 0.328 0.000 1.168 88 G CA 0.714 46.020 45.100 0.344 0.000 0.771 88 G HN 0.572 nan 8.290 nan 0.000 0.551 89 H N -1.055 118.100 119.070 0.141 0.000 2.389 89 H HA -0.065 4.614 4.556 0.205 0.000 0.299 89 H C 2.463 178.082 175.328 0.484 0.000 1.081 89 H CA 1.305 57.495 56.048 0.237 0.000 1.345 89 H CB 0.014 29.719 29.762 -0.095 0.000 1.393 89 H HN 0.431 nan 8.280 nan 0.000 0.520 90 W N 1.565 123.008 121.300 0.238 0.000 2.363 90 W HA -0.083 4.704 4.660 0.212 0.000 0.296 90 W C 2.428 179.118 176.519 0.285 0.000 1.212 90 W CA 0.448 57.957 57.345 0.273 0.000 1.260 90 W CB -0.908 28.624 29.460 0.120 0.000 1.131 90 W HN 0.324 nan 8.180 nan 0.000 0.530 91 E N 0.343 120.819 120.200 0.459 0.000 2.072 91 E HA -0.169 4.310 4.350 0.215 0.000 0.191 91 E C 2.130 178.975 176.600 0.409 0.000 0.985 91 E CA 1.322 57.936 56.400 0.356 0.000 0.801 91 E CB -0.383 29.446 29.700 0.215 0.000 0.750 91 E HN 0.133 nan 8.360 nan 0.000 0.452 92 I N 0.689 121.533 120.570 0.456 0.000 2.194 92 I HA -0.279 4.020 4.170 0.215 0.000 0.246 92 I C 1.961 178.261 176.117 0.305 0.000 1.093 92 I CA 0.892 62.406 61.300 0.356 0.000 1.355 92 I CB -0.080 38.077 38.000 0.262 0.000 1.046 92 I HN 0.271 nan 8.210 nan 0.000 0.413 93 M N 0.010 119.844 119.600 0.390 0.000 2.530 93 M HA 0.195 4.804 4.480 0.215 0.000 0.231 93 M C 1.192 177.639 176.300 0.244 0.000 1.180 93 M CA 0.553 56.025 55.300 0.285 0.000 0.985 93 M CB -0.264 32.513 32.600 0.295 0.000 1.623 93 M HN 0.450 nan 8.290 nan 0.000 0.475 94 G N 0.367 109.339 108.800 0.286 0.000 2.175 94 G HA2 -0.138 3.951 3.960 0.215 0.000 0.182 94 G HA3 -0.138 3.951 3.960 0.215 0.000 0.182 94 G C -0.056 175.090 174.900 0.411 0.000 1.003 94 G CA -0.488 44.786 45.100 0.291 0.000 0.666 94 G HN 0.393 nan 8.290 nan 0.000 0.506 95 L N -0.582 120.869 121.223 0.380 0.000 2.376 95 L HA 0.810 5.279 4.340 0.215 0.000 0.267 95 L C -0.006 176.943 176.870 0.132 0.000 1.035 95 L CA -1.563 53.495 54.840 0.363 0.000 0.800 95 L CB 1.423 43.676 42.059 0.323 0.000 1.290 95 L HN 0.136 nan 8.230 nan 0.000 0.462 96 Y N 1.528 121.667 120.300 -0.269 0.000 2.361 96 Y HA 0.527 5.206 4.550 0.215 0.000 0.337 96 Y C -1.046 174.818 175.900 -0.061 0.000 0.965 96 Y CA -0.946 56.915 58.100 -0.399 0.000 1.091 96 Y CB 1.197 39.046 38.460 -1.018 0.000 1.182 96 Y HN 0.201 nan 8.280 nan 0.000 0.450 97 I N 6.348 126.472 120.570 -0.742 0.000 2.390 97 I HA 0.147 4.446 4.170 0.215 0.000 0.283 97 I C 0.433 176.181 176.117 -0.616 0.000 1.016 97 I CA -0.402 60.682 61.300 -0.360 0.000 1.151 97 I CB 1.062 39.067 38.000 0.008 0.000 1.293 97 I HN 0.835 nan 8.210 nan 0.000 0.458 98 D N 4.168 124.309 120.400 -0.432 0.000 2.149 98 D HA -0.081 4.688 4.640 0.215 0.000 0.201 98 D C 0.338 176.562 176.300 -0.127 0.000 0.972 98 D CA 1.260 55.122 54.000 -0.230 0.000 0.835 98 D CB 0.565 41.363 40.800 -0.003 0.000 0.966 98 D HN 0.424 nan 8.370 nan 0.000 0.476 99 T N 2.917 117.416 114.554 -0.093 0.000 2.733 99 T HA 0.370 4.849 4.350 0.215 0.000 0.294 99 T C -2.433 172.136 174.700 -0.218 0.000 0.956 99 T CA -1.310 60.717 62.100 -0.121 0.000 0.987 99 T CB 1.751 70.552 68.868 -0.112 0.000 0.920 99 T HN 0.096 nan 8.240 nan 0.000 0.470 100 P HA 0.377 nan 4.420 nan 0.000 0.282 100 P C -0.793 176.341 177.300 -0.277 0.000 1.249 100 P CA -0.697 62.295 63.100 -0.181 0.000 0.806 100 P CB 0.609 32.269 31.700 -0.068 0.000 0.984 101 F N 0.646 120.585 119.950 -0.018 0.000 2.412 101 F HA 0.192 4.850 4.527 0.217 0.000 0.348 101 F C 1.525 177.304 175.800 -0.035 0.000 1.102 101 F CA 0.070 58.068 58.000 -0.003 0.000 1.196 101 F CB 0.523 39.493 39.000 -0.049 0.000 1.144 101 F HN 0.103 nan 8.300 nan 0.000 0.541 102 Q N 2.435 122.316 119.800 0.135 0.000 2.230 102 Q HA 0.530 4.999 4.340 0.215 0.000 0.248 102 Q C -0.418 175.424 176.000 -0.264 0.000 0.915 102 Q CA -0.719 54.992 55.803 -0.154 0.000 0.900 102 Q CB 2.422 30.978 28.738 -0.303 0.000 1.229 102 Q HN 0.589 nan 8.270 nan 0.000 0.439 103 V N -1.299 118.339 119.914 -0.461 0.000 2.881 103 V HA 0.652 4.901 4.120 0.215 0.000 0.316 103 V C -0.767 174.920 176.094 -0.678 0.000 1.070 103 V CA -0.770 61.308 62.300 -0.370 0.000 0.976 103 V CB 1.258 32.965 31.823 -0.195 0.000 1.038 103 V HN 0.630 nan 8.190 nan 0.000 0.446 104 F N 2.689 122.549 119.950 -0.150 0.000 2.622 104 F HA 0.485 5.141 4.527 0.214 0.000 0.338 104 F C -1.692 173.967 175.800 -0.234 0.000 1.334 104 F CA -1.673 56.181 58.000 -0.243 0.000 1.179 104 F CB 1.519 40.197 39.000 -0.538 0.000 1.471 104 F HN 0.399 nan 8.300 nan 0.000 0.576 105 P HA -0.138 nan 4.420 nan 0.000 0.225 105 P C 0.524 177.805 177.300 -0.031 0.000 1.148 105 P CA 1.373 64.449 63.100 -0.041 0.000 0.779 105 P CB 0.435 32.112 31.700 -0.038 0.000 0.780 106 E N -0.341 119.848 120.200 -0.019 0.000 2.501 106 E HA 0.320 4.799 4.350 0.215 0.000 0.200 106 E C 1.240 177.820 176.600 -0.033 0.000 1.016 106 E CA 0.178 56.571 56.400 -0.012 0.000 0.921 106 E CB 0.157 29.864 29.700 0.010 0.000 1.034 106 E HN 0.194 nan 8.360 nan 0.000 0.468 107 G N 1.315 110.051 108.800 -0.106 0.000 2.725 107 G HA2 -0.247 3.842 3.960 0.215 0.000 0.220 107 G HA3 -0.247 3.842 3.960 0.215 0.000 0.220 107 G C -0.594 174.121 174.900 -0.309 0.000 1.357 107 G CA -0.809 44.135 45.100 -0.260 0.000 0.866 107 G HN 0.129 nan 8.290 nan 0.000 0.548 108 F N 1.294 121.175 119.950 -0.116 0.000 2.375 108 F HA 0.518 5.173 4.527 0.214 0.000 0.333 108 F C -1.282 174.441 175.800 -0.129 0.000 1.104 108 F CA -1.416 56.408 58.000 -0.293 0.000 1.149 108 F CB 1.035 39.761 39.000 -0.458 0.000 1.190 108 F HN 0.247 nan 8.300 nan 0.000 0.533 109 P HA -0.025 nan 4.420 nan 0.000 0.266 109 P C 0.543 177.850 177.300 0.011 0.000 1.195 109 P CA -0.090 63.072 63.100 0.104 0.000 0.768 109 P CB 0.678 32.509 31.700 0.217 0.000 0.838 110 K N 2.493 122.911 120.400 0.031 0.000 2.113 110 K HA -0.261 4.188 4.320 0.215 0.000 0.208 110 K C 1.255 177.841 176.600 -0.023 0.000 1.047 110 K CA 1.791 58.080 56.287 0.004 0.000 0.928 110 K CB -0.055 32.458 32.500 0.020 0.000 0.716 110 K HN 0.288 nan 8.250 nan 0.000 0.446 111 E N 0.842 121.048 120.200 0.011 0.000 2.085 111 E HA -0.209 4.270 4.350 0.215 0.000 0.194 111 E C 1.786 178.330 176.600 -0.093 0.000 0.994 111 E CA 1.265 57.681 56.400 0.027 0.000 0.801 111 E CB -0.263 29.535 29.700 0.164 0.000 0.743 111 E HN 0.284 nan 8.360 nan 0.000 0.453 112 L N 0.099 121.114 121.223 -0.346 0.000 2.027 112 L HA -0.077 4.392 4.340 0.215 0.000 0.206 112 L C 1.892 178.554 176.870 -0.347 0.000 1.074 112 L CA 1.601 56.060 54.840 -0.634 0.000 0.745 112 L CB -0.361 40.978 42.059 -1.200 0.000 0.898 112 L HN 0.147 nan 8.230 nan 0.000 0.433 113 L N -0.702 120.369 121.223 -0.253 0.000 2.093 113 L HA -0.165 4.304 4.340 0.215 0.000 0.208 113 L C 2.221 179.023 176.870 -0.114 0.000 1.085 113 L CA 1.065 55.801 54.840 -0.172 0.000 0.755 113 L CB -0.887 41.109 42.059 -0.105 0.000 0.904 113 L HN 0.283 nan 8.230 nan 0.000 0.435 114 D N 0.167 120.516 120.400 -0.086 0.000 2.104 114 D HA -0.229 4.539 4.640 0.215 0.000 0.194 114 D C 2.062 178.330 176.300 -0.054 0.000 0.994 114 D CA 1.263 55.232 54.000 -0.053 0.000 0.830 114 D CB 0.049 40.831 40.800 -0.029 0.000 0.959 114 D HN 0.326 nan 8.370 nan 0.000 0.452 115 E N -0.391 119.769 120.200 -0.066 0.000 2.106 115 E HA -0.141 4.338 4.350 0.215 0.000 0.192 115 E C 2.034 178.592 176.600 -0.069 0.000 0.984 115 E CA 0.273 56.642 56.400 -0.052 0.000 0.806 115 E CB -0.041 29.638 29.700 -0.034 0.000 0.750 115 E HN 0.041 nan 8.360 nan 0.000 0.458 116 L N 1.583 122.742 121.223 -0.107 0.000 2.046 116 L HA -0.193 4.276 4.340 0.215 0.000 0.208 116 L C 1.851 178.673 176.870 -0.080 0.000 1.077 116 L CA 1.876 56.650 54.840 -0.110 0.000 0.747 116 L CB -0.360 41.605 42.059 -0.157 0.000 0.896 116 L HN 0.144 nan 8.230 nan 0.000 0.432 117 E N -0.748 119.410 120.200 -0.070 0.000 2.077 117 E HA -0.295 4.183 4.350 0.215 0.000 0.193 117 E C 2.042 178.618 176.600 -0.040 0.000 0.989 117 E CA 1.418 57.788 56.400 -0.050 0.000 0.800 117 E CB -0.147 29.528 29.700 -0.041 0.000 0.746 117 E HN 0.638 nan 8.360 nan 0.000 0.452 118 E N 1.135 121.312 120.200 -0.038 0.000 2.110 118 E HA -0.188 4.290 4.350 0.215 0.000 0.193 118 E C 1.768 178.351 176.600 -0.028 0.000 0.988 118 E CA 0.979 57.363 56.400 -0.028 0.000 0.804 118 E CB 0.182 29.868 29.700 -0.023 0.000 0.745 118 E HN 0.079 nan 8.360 nan 0.000 0.458 119 K N -0.576 119.803 120.400 -0.035 0.000 2.243 119 K HA -0.027 4.421 4.320 0.215 0.000 0.201 119 K C 2.121 178.699 176.600 -0.036 0.000 1.051 119 K CA 1.451 57.718 56.287 -0.034 0.000 0.970 119 K CB 0.261 32.738 32.500 -0.039 0.000 0.755 119 K HN 0.224 nan 8.250 nan 0.000 0.465 120 T N -3.625 110.904 114.554 -0.041 0.000 3.015 120 T HA 0.144 4.622 4.350 0.215 0.000 0.250 120 T C 1.362 176.042 174.700 -0.033 0.000 1.057 120 T CA 0.506 62.581 62.100 -0.041 0.000 1.066 120 T CB 0.502 69.340 68.868 -0.050 0.000 0.959 120 T HN 0.238 nan 8.240 nan 0.000 0.488 121 G N 1.740 110.522 108.800 -0.030 0.000 2.176 121 G HA2 -0.235 3.854 3.960 0.215 0.000 0.252 121 G HA3 -0.235 3.854 3.960 0.215 0.000 0.252 121 G C -0.043 174.842 174.900 -0.025 0.000 1.024 121 G CA 0.016 45.101 45.100 -0.025 0.000 0.755 121 G HN 0.731 nan 8.290 nan 0.000 0.507 122 R N -0.464 120.019 120.500 -0.028 0.000 2.686 122 R HA 0.472 4.941 4.340 0.215 0.000 0.283 122 R C 0.100 176.386 176.300 -0.024 0.000 0.978 122 R CA -0.989 55.096 56.100 -0.025 0.000 0.897 122 R CB 1.596 31.879 30.300 -0.027 0.000 1.192 122 R HN 0.169 nan 8.270 nan 0.000 0.457 123 K N 1.935 122.324 120.400 -0.017 0.000 2.202 123 K HA 0.312 4.761 4.320 0.215 0.000 0.264 123 K C -0.113 176.480 176.600 -0.012 0.000 1.010 123 K CA -0.031 56.248 56.287 -0.014 0.000 0.940 123 K CB 0.761 33.257 32.500 -0.007 0.000 0.983 123 K HN 0.347 nan 8.250 nan 0.000 0.475 124 I N 3.687 124.249 120.570 -0.012 0.000 2.404 124 I HA 0.362 4.660 4.170 0.215 0.000 0.293 124 I C -0.014 176.108 176.117 0.008 0.000 0.992 124 I CA -0.808 60.488 61.300 -0.006 0.000 1.149 124 I CB 1.245 39.231 38.000 -0.023 0.000 1.315 124 I HN 0.529 nan 8.210 nan 0.000 0.446 125 I N 1.988 122.570 120.570 0.021 0.000 2.957 125 I HA 0.968 5.267 4.170 0.215 0.000 0.310 125 I C 0.646 176.786 176.117 0.039 0.000 1.063 125 I CA -0.341 60.973 61.300 0.023 0.000 1.033 125 I CB 1.971 39.980 38.000 0.016 0.000 1.230 125 I HN 0.740 nan 8.210 nan 0.000 0.447 126 G N 3.539 112.358 108.800 0.032 0.000 4.315 126 G HA2 -0.354 3.734 3.960 0.215 0.000 0.280 126 G HA3 -0.354 3.734 3.960 0.215 0.000 0.280 126 G C 0.332 175.267 174.900 0.058 0.000 1.649 126 G CA 0.615 45.739 45.100 0.041 0.000 1.108 126 G HN 1.645 nan 8.290 nan 0.000 0.667 127 N N 0.557 119.319 118.700 0.103 0.000 2.696 127 N HA -0.142 4.727 4.740 0.215 0.000 0.256 127 N C -0.155 175.384 175.510 0.047 0.000 1.031 127 N CA 2.572 55.691 53.050 0.115 0.000 0.730 127 N CB -1.241 37.302 38.487 0.094 0.000 0.894 127 N HN 1.379 nan 8.380 nan 0.000 0.544 128 K N -1.960 118.472 120.400 0.054 0.000 2.575 128 K HA 0.653 5.101 4.320 0.215 0.000 0.279 128 K C -3.330 173.290 176.600 0.033 0.000 0.969 128 K CA -2.021 54.270 56.287 0.006 0.000 0.868 128 K CB 1.351 33.856 32.500 0.008 0.000 1.457 128 K HN -0.168 nan 8.250 nan 0.000 0.426 129 P HA 0.212 nan 4.420 nan 0.000 0.268 129 P C -1.322 176.003 177.300 0.042 0.000 1.204 129 P CA -0.021 63.096 63.100 0.029 0.000 0.768 129 P CB 1.001 32.697 31.700 -0.008 0.000 0.842 130 A N 2.018 124.885 122.820 0.079 0.000 2.599 130 A HA 0.542 4.991 4.320 0.215 0.000 0.294 130 A C -0.321 177.257 177.584 -0.011 0.000 1.055 130 A CA -0.577 51.455 52.037 -0.009 0.000 0.683 130 A CB 0.804 19.742 19.000 -0.103 0.000 1.278 130 A HN 0.403 nan 8.150 nan 0.000 0.412 131 S N 0.290 115.950 115.700 -0.067 0.000 2.562 131 S HA 0.383 4.982 4.470 0.215 0.000 0.281 131 S C 1.489 175.965 174.600 -0.206 0.000 1.333 131 S CA 0.533 58.690 58.200 -0.073 0.000 1.052 131 S CB 0.727 63.888 63.200 -0.065 0.000 0.884 131 S HN 1.950 nan 8.310 nan 0.000 0.506 132 G N 2.535 111.257 108.800 -0.131 0.000 2.448 132 G HA2 -0.151 3.938 3.960 0.215 0.000 0.219 132 G HA3 -0.151 3.938 3.960 0.215 0.000 0.219 132 G C 1.407 176.151 174.900 -0.261 0.000 1.127 132 G CA 1.157 46.108 45.100 -0.248 0.000 0.766 132 G HN 0.922 nan 8.290 nan 0.000 0.552 133 T N -1.569 112.890 114.554 -0.159 0.000 2.976 133 T HA 0.114 4.593 4.350 0.215 0.000 0.257 133 T C 1.947 176.562 174.700 -0.141 0.000 1.051 133 T CA 1.082 63.105 62.100 -0.129 0.000 1.141 133 T CB -0.100 68.732 68.868 -0.060 0.000 0.881 133 T HN 0.371 nan 8.240 nan 0.000 0.461 134 E N 0.783 120.899 120.200 -0.140 0.000 2.077 134 E HA 0.009 4.488 4.350 0.215 0.000 0.193 134 E C 2.038 178.538 176.600 -0.167 0.000 0.989 134 E CA 0.997 57.324 56.400 -0.121 0.000 0.800 134 E CB -0.259 29.383 29.700 -0.096 0.000 0.746 134 E HN 0.483 nan 8.360 nan 0.000 0.452 135 I N 0.903 121.307 120.570 -0.276 0.000 2.493 135 I HA -0.232 4.067 4.170 0.215 0.000 0.254 135 I C 1.891 177.813 176.117 -0.326 0.000 1.160 135 I CA 0.668 61.776 61.300 -0.320 0.000 1.445 135 I CB 0.180 37.882 38.000 -0.496 0.000 1.086 135 I HN 0.109 nan 8.210 nan 0.000 0.433 136 L N -0.014 120.976 121.223 -0.388 0.000 2.056 136 L HA -0.201 4.268 4.340 0.215 0.000 0.207 136 L C 2.069 178.829 176.870 -0.182 0.000 1.078 136 L CA 1.140 55.675 54.840 -0.508 0.000 0.749 136 L CB -0.847 40.825 42.059 -0.645 0.000 0.901 136 L HN 0.244 nan 8.230 nan 0.000 0.433 137 D N -0.117 120.269 120.400 -0.024 0.000 2.117 137 D HA -0.219 4.550 4.640 0.215 0.000 0.197 137 D C 2.024 178.351 176.300 0.046 0.000 0.987 137 D CA 1.186 55.240 54.000 0.090 0.000 0.829 137 D CB 0.056 40.877 40.800 0.036 0.000 0.961 137 D HN 0.393 nan 8.370 nan 0.000 0.460 138 E N -0.044 120.137 120.200 -0.031 0.000 2.046 138 E HA -0.062 4.417 4.350 0.215 0.000 0.190 138 E C 1.666 178.252 176.600 -0.023 0.000 0.982 138 E CA 0.620 57.002 56.400 -0.030 0.000 0.800 138 E CB 0.209 29.874 29.700 -0.058 0.000 0.756 138 E HN 0.218 nan 8.360 nan 0.000 0.449 139 L N -1.172 120.010 121.223 -0.070 0.000 2.966 139 L HA 0.308 4.777 4.340 0.215 0.000 0.262 139 L C 2.038 178.864 176.870 -0.072 0.000 1.165 139 L CA 0.184 54.989 54.840 -0.059 0.000 0.978 139 L CB 0.808 42.824 42.059 -0.072 0.000 1.337 139 L HN 0.145 nan 8.230 nan 0.000 0.563 140 G N -0.019 108.682 108.800 -0.167 0.000 2.440 140 G HA2 -0.304 3.785 3.960 0.215 0.000 0.218 140 G HA3 -0.304 3.785 3.960 0.215 0.000 0.218 140 G C 1.343 176.271 174.900 0.046 0.000 1.154 140 G CA 0.715 45.612 45.100 -0.338 0.000 0.767 140 G HN 0.345 nan 8.290 nan 0.000 0.552 141 Q N -0.079 119.853 119.800 0.221 0.000 2.046 141 Q HA -0.107 4.362 4.340 0.215 0.000 0.200 141 Q C 2.414 178.486 176.000 0.120 0.000 0.975 141 Q CA 1.571 57.517 55.803 0.239 0.000 0.836 141 Q CB -0.212 28.647 28.738 0.202 0.000 0.896 141 Q HN 0.678 nan 8.270 nan 0.000 0.428 142 E N -0.200 120.046 120.200 0.077 0.000 2.085 142 E HA -0.269 4.210 4.350 0.215 0.000 0.194 142 E C 2.133 178.760 176.600 0.045 0.000 0.994 142 E CA 1.087 57.516 56.400 0.047 0.000 0.801 142 E CB -0.017 29.701 29.700 0.029 0.000 0.743 142 E HN 0.310 nan 8.360 nan 0.000 0.453 143 Q N 0.435 120.270 119.800 0.059 0.000 2.061 143 Q HA -0.213 4.255 4.340 0.215 0.000 0.204 143 Q C 2.184 178.215 176.000 0.053 0.000 0.984 143 Q CA 1.919 57.767 55.803 0.074 0.000 0.846 143 Q CB -0.240 28.586 28.738 0.146 0.000 0.902 143 Q HN 0.427 nan 8.270 nan 0.000 0.421 144 M N -0.015 119.622 119.600 0.062 0.000 2.149 144 M HA -0.182 4.427 4.480 0.215 0.000 0.261 144 M C 1.857 178.143 176.300 -0.024 0.000 1.064 144 M CA 1.620 56.911 55.300 -0.016 0.000 1.102 144 M CB -0.190 32.405 32.600 -0.009 0.000 1.369 144 M HN 0.187 nan 8.290 nan 0.000 0.408 145 E N -0.771 119.434 120.200 0.008 0.000 2.216 145 E HA -0.099 4.380 4.350 0.215 0.000 0.192 145 E C 1.802 178.400 176.600 -0.004 0.000 0.988 145 E CA 1.611 58.011 56.400 0.001 0.000 0.834 145 E CB 0.112 29.821 29.700 0.015 0.000 0.772 145 E HN 0.598 nan 8.360 nan 0.000 0.479 146 T N -4.310 110.244 114.554 0.001 0.000 2.971 146 T HA 0.277 4.756 4.350 0.215 0.000 0.252 146 T C 1.532 176.228 174.700 -0.007 0.000 1.022 146 T CA 0.298 62.398 62.100 -0.001 0.000 0.980 146 T CB 0.885 69.756 68.868 0.005 0.000 1.044 146 T HN 0.184 nan 8.240 nan 0.000 0.501 147 G N 2.097 110.892 108.800 -0.009 0.000 2.153 147 G HA2 -0.279 3.810 3.960 0.215 0.000 0.252 147 G HA3 -0.279 3.810 3.960 0.215 0.000 0.252 147 G C 0.300 175.196 174.900 -0.007 0.000 0.994 147 G CA 0.491 45.583 45.100 -0.014 0.000 0.698 147 G HN 1.232 nan 8.290 nan 0.000 0.521 148 S N -0.994 114.709 115.700 0.004 0.000 2.652 148 S HA 0.791 5.390 4.470 0.215 0.000 0.267 148 S C 0.214 174.826 174.600 0.020 0.000 1.201 148 S CA -0.687 57.517 58.200 0.007 0.000 0.996 148 S CB 1.542 64.748 63.200 0.010 0.000 1.054 148 S HN 0.717 nan 8.310 nan 0.000 0.561 149 L N 0.553 121.788 121.223 0.020 0.000 2.333 149 L HA 0.511 4.980 4.340 0.215 0.000 0.280 149 L C -0.744 176.158 176.870 0.053 0.000 1.004 149 L CA -0.675 54.186 54.840 0.036 0.000 0.820 149 L CB 1.386 43.450 42.059 0.008 0.000 1.247 149 L HN 0.612 nan 8.230 nan 0.000 0.416 150 I N 3.875 124.500 120.570 0.090 0.000 2.363 150 I HA 0.161 4.460 4.170 0.215 0.000 0.292 150 I C -0.299 175.921 176.117 0.171 0.000 1.075 150 I CA -0.253 61.111 61.300 0.107 0.000 1.333 150 I CB 0.947 38.991 38.000 0.074 0.000 1.415 150 I HN 0.234 nan 8.210 nan 0.000 0.502 151 V N 8.203 128.208 119.914 0.151 0.000 2.398 151 V HA 0.477 4.726 4.120 0.215 0.000 0.286 151 V C -0.493 175.773 176.094 0.287 0.000 1.026 151 V CA -0.535 61.852 62.300 0.145 0.000 0.868 151 V CB 1.036 32.878 31.823 0.032 0.000 0.982 151 V HN 0.657 nan 8.190 nan 0.000 0.443 152 Y N 1.951 122.326 120.300 0.125 0.000 2.689 152 Y HA 0.880 5.559 4.550 0.214 0.000 0.333 152 Y C -0.473 175.536 175.900 0.181 0.000 1.190 152 Y CA -0.863 57.309 58.100 0.120 0.000 1.063 152 Y CB 2.016 40.493 38.460 0.029 0.000 1.294 152 Y HN 0.468 nan 8.280 nan 0.000 0.466 153 T N 0.139 114.771 114.554 0.129 0.000 2.804 153 T HA 0.726 5.205 4.350 0.215 0.000 0.290 153 T C -0.691 174.050 174.700 0.068 0.000 1.099 153 T CA 0.040 62.150 62.100 0.017 0.000 1.011 153 T CB 1.253 70.064 68.868 -0.095 0.000 1.291 153 T HN 1.204 nan 8.240 nan 0.000 0.523 154 S N 0.165 115.866 115.700 0.001 0.000 2.998 154 S HA 0.741 5.340 4.470 0.215 0.000 0.307 154 S C 1.431 175.973 174.600 -0.096 0.000 1.063 154 S CA -0.013 58.172 58.200 -0.025 0.000 0.895 154 S CB 0.510 63.679 63.200 -0.051 0.000 1.362 154 S HN 0.966 nan 8.310 nan 0.000 0.657 155 A N 0.570 123.274 122.820 -0.193 0.000 2.167 155 A HA 0.207 4.656 4.320 0.215 0.000 0.214 155 A C 0.629 177.994 177.584 -0.366 0.000 1.151 155 A CA 1.130 53.007 52.037 -0.267 0.000 0.735 155 A CB -1.144 17.670 19.000 -0.309 0.000 0.802 155 A HN 0.864 nan 8.150 nan 0.000 0.467 156 D N -1.778 118.409 120.400 -0.354 0.000 2.592 156 D HA 0.275 5.044 4.640 0.215 0.000 0.259 156 D C -0.169 176.077 176.300 -0.090 0.000 1.144 156 D CA -0.679 53.170 54.000 -0.252 0.000 1.080 156 D CB 0.442 41.110 40.800 -0.221 0.000 1.225 156 D HN -0.166 nan 8.370 nan 0.000 0.619 157 S N -0.294 115.381 115.700 -0.043 0.000 3.900 157 S HA 0.425 5.024 4.470 0.215 0.000 0.248 157 S C -0.239 174.413 174.600 0.087 0.000 1.310 157 S CA -0.577 57.667 58.200 0.074 0.000 0.915 157 S CB -1.848 61.400 63.200 0.079 0.000 1.588 157 S HN 0.493 nan 8.310 nan 0.000 0.472 158 V N 2.992 122.982 119.914 0.127 0.000 3.007 158 V HA 0.738 4.987 4.120 0.215 0.000 0.311 158 V C -0.869 175.336 176.094 0.185 0.000 1.120 158 V CA -1.194 61.157 62.300 0.085 0.000 0.980 158 V CB 1.939 33.751 31.823 -0.019 0.000 1.033 158 V HN 0.488 nan 8.190 nan 0.000 0.429 159 L N 2.992 124.253 121.223 0.063 0.000 2.343 159 L HA 0.635 5.104 4.340 0.215 0.000 0.278 159 L C -0.528 176.246 176.870 -0.159 0.000 0.996 159 L CA -0.186 54.629 54.840 -0.041 0.000 0.831 159 L CB 1.633 43.462 42.059 -0.383 0.000 1.232 159 L HN 0.908 nan 8.230 nan 0.000 0.413 160 Q N 6.362 125.987 119.800 -0.293 0.000 2.333 160 Q HA 0.563 5.031 4.340 0.215 0.000 0.267 160 Q C -1.180 174.651 176.000 -0.282 0.000 1.012 160 Q CA -0.661 54.895 55.803 -0.410 0.000 0.824 160 Q CB 3.057 31.245 28.738 -0.917 0.000 1.290 160 Q HN 0.606 nan 8.270 nan 0.000 0.449 161 I N 1.685 122.208 120.570 -0.077 0.000 2.411 161 I HA 0.517 4.816 4.170 0.215 0.000 0.284 161 I C -0.547 175.651 176.117 0.135 0.000 1.012 161 I CA -0.777 60.541 61.300 0.030 0.000 1.119 161 I CB 1.632 39.630 38.000 -0.004 0.000 1.261 161 I HN 0.577 nan 8.210 nan 0.000 0.448 162 A N 5.417 128.369 122.820 0.220 0.000 2.317 162 A HA 0.952 5.401 4.320 0.215 0.000 0.327 162 A C -0.407 177.367 177.584 0.316 0.000 1.178 162 A CA -0.388 51.822 52.037 0.288 0.000 0.817 162 A CB 1.253 20.400 19.000 0.245 0.000 1.189 162 A HN 0.840 nan 8.150 nan 0.000 0.489 163 A N 1.587 124.601 122.820 0.323 0.000 2.547 163 A HA 0.588 5.036 4.320 0.215 0.000 0.297 163 A C -0.865 176.480 177.584 -0.398 0.000 1.056 163 A CA -0.581 51.511 52.037 0.092 0.000 0.688 163 A CB 0.465 19.468 19.000 0.004 0.000 1.282 163 A HN 1.129 nan 8.150 nan 0.000 0.400 164 H N 0.924 119.475 119.070 -0.865 0.000 2.803 164 H HA 0.233 4.918 4.556 0.216 0.000 0.330 164 H C 1.018 176.049 175.328 -0.495 0.000 1.057 164 H CA 0.504 55.879 56.048 -1.121 0.000 1.458 164 H CB 0.859 30.108 29.762 -0.855 0.000 1.470 164 H HN 0.779 nan 8.280 nan 0.000 0.560 165 E N 3.133 123.102 120.200 -0.384 0.000 2.265 165 E HA -0.173 4.306 4.350 0.215 0.000 0.196 165 E C 0.941 177.535 176.600 -0.009 0.000 0.996 165 E CA 1.043 57.342 56.400 -0.168 0.000 0.832 165 E CB 0.235 29.823 29.700 -0.185 0.000 0.756 165 E HN 0.771 nan 8.360 nan 0.000 0.491 166 E N -0.198 120.135 120.200 0.220 0.000 2.447 166 E HA -0.022 4.457 4.350 0.215 0.000 0.195 166 E C 1.618 178.210 176.600 -0.013 0.000 1.028 166 E CA 0.152 56.612 56.400 0.099 0.000 0.876 166 E CB 0.709 30.481 29.700 0.120 0.000 0.885 166 E HN 0.053 nan 8.360 nan 0.000 0.500 167 V N 0.158 120.053 119.914 -0.032 0.000 2.908 167 V HA 0.042 4.291 4.120 0.215 0.000 0.240 167 V C 0.665 176.721 176.094 -0.062 0.000 1.117 167 V CA 0.413 62.666 62.300 -0.079 0.000 1.133 167 V CB 1.006 32.759 31.823 -0.117 0.000 0.857 167 V HN -0.098 nan 8.190 nan 0.000 0.478 168 V N 2.789 122.661 119.914 -0.070 0.000 2.334 168 V HA 0.402 4.651 4.120 0.215 0.000 0.281 168 V C -2.566 173.468 176.094 -0.100 0.000 1.016 168 V CA -1.961 60.292 62.300 -0.078 0.000 0.832 168 V CB 1.157 32.935 31.823 -0.076 0.000 0.999 168 V HN 0.294 nan 8.190 nan 0.000 0.439 169 P HA 0.100 nan 4.420 nan 0.000 0.265 169 P C 1.242 178.434 177.300 -0.180 0.000 1.187 169 P CA 0.145 63.179 63.100 -0.110 0.000 0.766 169 P CB 0.776 32.428 31.700 -0.082 0.000 0.820 170 L N 1.837 122.920 121.223 -0.232 0.000 2.021 170 L HA -0.277 4.192 4.340 0.215 0.000 0.215 170 L C 1.606 178.116 176.870 -0.600 0.000 1.074 170 L CA 1.879 56.447 54.840 -0.454 0.000 0.760 170 L CB -0.514 41.308 42.059 -0.394 0.000 0.889 170 L HN 0.427 nan 8.230 nan 0.000 0.433 171 D N -0.692 119.537 120.400 -0.285 0.000 2.178 171 D HA -0.163 4.606 4.640 0.215 0.000 0.201 171 D C 2.190 178.443 176.300 -0.080 0.000 0.980 171 D CA 0.869 54.805 54.000 -0.107 0.000 0.842 171 D CB -0.028 40.767 40.800 -0.009 0.000 0.948 171 D HN 0.333 nan 8.370 nan 0.000 0.472 172 E N 0.327 120.460 120.200 -0.111 0.000 2.072 172 E HA -0.113 4.366 4.350 0.215 0.000 0.191 172 E C 2.229 178.778 176.600 -0.085 0.000 0.985 172 E CA 0.135 56.488 56.400 -0.077 0.000 0.801 172 E CB -0.437 29.219 29.700 -0.072 0.000 0.750 172 E HN 0.233 nan 8.360 nan 0.000 0.452 173 L N 0.489 121.623 121.223 -0.149 0.000 2.042 173 L HA -0.196 4.273 4.340 0.215 0.000 0.210 173 L C 2.212 179.079 176.870 -0.005 0.000 1.076 173 L CA 1.665 56.437 54.840 -0.114 0.000 0.749 173 L CB -0.723 41.234 42.059 -0.171 0.000 0.893 173 L HN 0.152 nan 8.230 nan 0.000 0.432 174 Y N -0.517 119.781 120.300 -0.003 0.000 2.200 174 Y HA -0.238 4.441 4.550 0.215 0.000 0.290 174 Y C 2.564 178.399 175.900 -0.107 0.000 1.137 174 Y CA 0.956 59.059 58.100 0.004 0.000 1.163 174 Y CB -0.216 38.267 38.460 0.038 0.000 0.988 174 Y HN 0.158 nan 8.280 nan 0.000 0.518 175 K N 0.471 120.913 120.400 0.069 0.000 2.057 175 K HA -0.189 4.260 4.320 0.215 0.000 0.207 175 K C 1.870 178.427 176.600 -0.071 0.000 1.049 175 K CA 1.635 57.914 56.287 -0.013 0.000 0.931 175 K CB -0.316 32.179 32.500 -0.009 0.000 0.714 175 K HN 0.326 nan 8.250 nan 0.000 0.440 176 I N 0.720 121.250 120.570 -0.067 0.000 2.208 176 I HA -0.365 3.934 4.170 0.215 0.000 0.245 176 I C 2.442 178.472 176.117 -0.145 0.000 1.097 176 I CA 1.017 62.263 61.300 -0.090 0.000 1.363 176 I CB -0.310 37.649 38.000 -0.069 0.000 1.051 176 I HN 0.246 nan 8.210 nan 0.000 0.413 177 C N 0.611 119.799 119.300 -0.188 0.000 2.440 177 C HA -0.126 4.463 4.460 0.215 0.000 0.278 177 C C 2.715 177.390 174.990 -0.524 0.000 1.295 177 C CA 0.741 59.551 59.018 -0.346 0.000 1.738 177 C CB -0.924 26.589 27.740 -0.379 0.000 1.987 177 C HN 0.419 nan 8.230 nan 0.000 0.492 178 K N 0.570 120.667 120.400 -0.504 0.000 2.097 178 K HA -0.040 4.409 4.320 0.215 0.000 0.205 178 K C 1.725 178.215 176.600 -0.183 0.000 1.050 178 K CA 1.170 57.242 56.287 -0.358 0.000 0.938 178 K CB -0.187 32.188 32.500 -0.210 0.000 0.718 178 K HN 0.503 nan 8.250 nan 0.000 0.442 179 I N 0.983 121.463 120.570 -0.150 0.000 2.179 179 I HA -0.281 4.018 4.170 0.215 0.000 0.242 179 I C 2.488 178.540 176.117 -0.107 0.000 1.088 179 I CA 1.119 62.358 61.300 -0.101 0.000 1.357 179 I CB -0.350 37.599 38.000 -0.086 0.000 1.051 179 I HN 0.141 nan 8.210 nan 0.000 0.409 180 A N 0.701 123.432 122.820 -0.147 0.000 1.940 180 A HA -0.274 4.175 4.320 0.215 0.000 0.219 180 A C 2.311 179.826 177.584 -0.114 0.000 1.176 180 A CA 2.008 53.950 52.037 -0.159 0.000 0.631 180 A CB -0.568 18.311 19.000 -0.202 0.000 0.814 180 A HN 0.312 nan 8.150 nan 0.000 0.446 181 R N 0.021 120.454 120.500 -0.112 0.000 2.096 181 R HA -0.109 4.360 4.340 0.215 0.000 0.235 181 R C 1.710 178.026 176.300 0.025 0.000 1.127 181 R CA 1.858 57.942 56.100 -0.025 0.000 0.968 181 R CB -0.293 29.993 30.300 -0.023 0.000 0.861 181 R HN 0.477 nan 8.270 nan 0.000 0.440 182 E N 0.121 120.321 120.200 0.000 0.000 2.158 182 E HA -0.054 4.425 4.350 0.215 0.000 0.191 182 E C 1.997 178.624 176.600 0.044 0.000 0.982 182 E CA 0.772 57.190 56.400 0.029 0.000 0.823 182 E CB -0.118 29.590 29.700 0.012 0.000 0.766 182 E HN 0.386 nan 8.360 nan 0.000 0.468 183 L N 0.999 122.236 121.223 0.023 0.000 2.141 183 L HA -0.095 4.374 4.340 0.215 0.000 0.209 183 L C 2.230 179.187 176.870 0.145 0.000 1.094 183 L CA 1.603 56.477 54.840 0.058 0.000 0.763 183 L CB -0.497 41.553 42.059 -0.015 0.000 0.908 183 L HN 0.160 nan 8.230 nan 0.000 0.437 184 T N -2.779 111.840 114.554 0.108 0.000 3.129 184 T HA 0.051 4.530 4.350 0.215 0.000 0.251 184 T C 0.782 175.611 174.700 0.215 0.000 1.117 184 T CA -0.206 62.006 62.100 0.188 0.000 1.034 184 T CB -0.083 68.846 68.868 0.102 0.000 0.968 184 T HN 0.015 nan 8.240 nan 0.000 0.526 185 L N 2.842 124.167 121.223 0.170 0.000 2.437 185 L HA 0.454 4.923 4.340 0.215 0.000 0.243 185 L C -0.808 176.120 176.870 0.097 0.000 1.346 185 L CA 0.051 54.988 54.840 0.162 0.000 1.233 185 L CB -0.913 41.233 42.059 0.145 0.000 1.436 185 L HN 0.178 nan 8.230 nan 0.000 0.416 186 D N 0.599 121.050 120.400 0.084 0.000 2.886 186 D HA 0.068 4.836 4.640 0.215 0.000 0.216 186 D C 0.284 176.543 176.300 -0.067 0.000 1.256 186 D CA -0.129 53.855 54.000 -0.027 0.000 0.844 186 D CB 1.491 42.262 40.800 -0.049 0.000 1.669 186 D HN 0.547 nan 8.370 nan 0.000 0.513 187 E N 2.030 122.160 120.200 -0.117 0.000 2.489 187 E HA 0.051 4.529 4.350 0.215 0.000 0.193 187 E C 0.744 177.252 176.600 -0.152 0.000 1.057 187 E CA 0.155 56.493 56.400 -0.103 0.000 0.866 187 E CB 0.284 29.925 29.700 -0.098 0.000 0.916 187 E HN 0.252 nan 8.360 nan 0.000 0.500 188 K N 0.392 120.590 120.400 -0.336 0.000 2.209 188 K HA -0.111 4.337 4.320 0.215 0.000 0.204 188 K C -0.188 176.225 176.600 -0.312 0.000 1.048 188 K CA 1.237 57.243 56.287 -0.468 0.000 0.940 188 K CB -0.037 31.945 32.500 -0.863 0.000 0.729 188 K HN 0.432 nan 8.250 nan 0.000 0.451 189 Y N -2.097 118.322 120.300 0.198 0.000 2.632 189 Y HA 0.327 5.005 4.550 0.214 0.000 0.291 189 Y C -0.810 175.309 175.900 0.365 0.000 1.098 189 Y CA -0.974 57.360 58.100 0.390 0.000 1.271 189 Y CB -0.460 38.176 38.460 0.293 0.000 1.120 189 Y HN -0.231 nan 8.280 nan 0.000 0.574 190 M N 3.261 123.105 119.600 0.407 0.000 2.264 190 M HA 0.450 5.059 4.480 0.215 0.000 0.340 190 M C -1.337 175.252 176.300 0.482 0.000 1.420 190 M CA -0.159 55.336 55.300 0.325 0.000 1.254 190 M CB 0.188 32.853 32.600 0.108 0.000 1.575 190 M HN 0.404 nan 8.290 nan 0.000 0.452 191 V N 5.781 125.981 119.914 0.477 0.000 2.427 191 V HA 0.437 4.686 4.120 0.215 0.000 0.286 191 V C 1.257 177.572 176.094 0.369 0.000 1.034 191 V CA -0.161 62.406 62.300 0.443 0.000 0.893 191 V CB 0.948 32.944 31.823 0.288 0.000 0.982 191 V HN 1.010 nan 8.190 nan 0.000 0.452 192 G N 5.075 113.990 108.800 0.192 0.000 2.433 192 G HA2 -0.078 4.011 3.960 0.215 0.000 0.216 192 G HA3 -0.078 4.011 3.960 0.215 0.000 0.216 192 G C 0.634 175.450 174.900 -0.139 0.000 1.186 192 G CA 0.401 45.344 45.100 -0.262 0.000 0.779 192 G HN 0.626 nan 8.290 nan 0.000 0.543 193 R N -1.082 119.394 120.500 -0.040 0.000 2.604 193 R HA 0.534 5.003 4.340 0.215 0.000 0.281 193 R C -1.874 174.445 176.300 0.032 0.000 1.020 193 R CA -0.726 55.367 56.100 -0.012 0.000 0.899 193 R CB 2.814 33.074 30.300 -0.066 0.000 1.205 193 R HN -0.005 nan 8.270 nan 0.000 0.450 194 V N 4.409 124.373 119.914 0.085 0.000 2.427 194 V HA 0.505 4.754 4.120 0.215 0.000 0.286 194 V C -0.058 176.145 176.094 0.183 0.000 1.034 194 V CA -0.527 61.823 62.300 0.083 0.000 0.893 194 V CB 1.577 33.429 31.823 0.048 0.000 0.982 194 V HN 0.583 nan 8.190 nan 0.000 0.452 195 I N 3.750 124.380 120.570 0.100 0.000 2.466 195 I HA 0.614 4.913 4.170 0.215 0.000 0.289 195 I C 0.312 176.521 176.117 0.153 0.000 1.026 195 I CA -0.698 60.675 61.300 0.121 0.000 1.078 195 I CB 1.922 39.929 38.000 0.011 0.000 1.249 195 I HN 0.644 nan 8.210 nan 0.000 0.429 196 A N 6.888 129.880 122.820 0.288 0.000 2.409 196 A HA 0.545 4.994 4.320 0.215 0.000 0.267 196 A C 0.104 177.815 177.584 0.212 0.000 1.127 196 A CA -0.364 51.845 52.037 0.286 0.000 0.795 196 A CB 0.160 19.460 19.000 0.501 0.000 1.061 196 A HN 0.646 nan 8.150 nan 0.000 0.502 197 R N 3.426 124.036 120.500 0.183 0.000 2.724 197 R HA 0.271 4.740 4.340 0.215 0.000 0.284 197 R C -2.981 173.450 176.300 0.219 0.000 1.481 197 R CA -1.775 54.439 56.100 0.191 0.000 1.652 197 R CB 0.770 31.203 30.300 0.221 0.000 1.175 197 R HN 0.546 nan 8.270 nan 0.000 0.613 198 P HA 0.119 nan 4.420 nan 0.000 0.271 198 P C -0.541 176.845 177.300 0.143 0.000 1.218 198 P CA 0.025 63.173 63.100 0.079 0.000 0.780 198 P CB 0.488 32.180 31.700 -0.013 0.000 0.901 199 F N 1.043 120.916 119.950 -0.127 0.000 2.629 199 F HA 0.754 5.410 4.527 0.214 0.000 0.316 199 F C -0.804 174.773 175.800 -0.373 0.000 1.081 199 F CA -1.342 56.558 58.000 -0.167 0.000 0.954 199 F CB 1.150 40.063 39.000 -0.144 0.000 1.337 199 F HN 0.309 nan 8.300 nan 0.000 0.474 200 V N -1.178 118.631 119.914 -0.175 0.000 3.156 200 V HA 1.092 5.341 4.120 0.215 0.000 0.311 200 V C 0.069 176.266 176.094 0.172 0.000 1.208 200 V CA -0.505 61.559 62.300 -0.393 0.000 1.063 200 V CB 0.714 32.439 31.823 -0.163 0.000 1.098 200 V HN 2.232 nan 8.190 nan 0.000 0.452 201 G N 0.295 109.263 108.800 0.281 0.000 2.447 201 G HA2 0.289 4.378 3.960 0.215 0.000 0.220 201 G HA3 0.289 4.378 3.960 0.215 0.000 0.220 201 G C -0.874 174.230 174.900 0.341 0.000 1.261 201 G CA 0.044 45.318 45.100 0.290 0.000 1.000 201 G HN 1.806 nan 8.290 nan 0.000 0.515 202 E N -0.788 119.330 120.200 -0.137 0.000 2.416 202 E HA 0.645 5.124 4.350 0.215 0.000 0.273 202 E C -3.132 172.911 176.600 -0.928 0.000 0.935 202 E CA -2.098 54.134 56.400 -0.279 0.000 0.784 202 E CB 1.347 30.984 29.700 -0.104 0.000 1.301 202 E HN 0.312 nan 8.360 nan 0.000 0.454 203 P HA 0.003 nan 4.420 nan 0.000 0.259 203 P C 0.744 177.804 177.300 -0.400 0.000 1.163 203 P CA 2.481 65.311 63.100 -0.451 0.000 0.760 203 P CB -0.017 31.638 31.700 -0.075 0.000 0.762 204 G N 2.654 111.247 108.800 -0.345 0.000 2.179 204 G HA2 -0.293 3.796 3.960 0.215 0.000 0.260 204 G HA3 -0.293 3.796 3.960 0.215 0.000 0.260 204 G C 0.351 175.127 174.900 -0.207 0.000 0.977 204 G CA 0.239 45.225 45.100 -0.190 0.000 0.641 204 G HN 0.725 nan 8.290 nan 0.000 0.533 205 N N -0.722 117.758 118.700 -0.367 0.000 2.635 205 N HA 0.282 5.150 4.740 0.215 0.000 0.252 205 N C -0.586 174.799 175.510 -0.208 0.000 1.589 205 N CA -0.449 52.469 53.050 -0.220 0.000 0.828 205 N CB 0.115 38.510 38.487 -0.153 0.000 1.403 205 N HN 0.121 nan 8.380 nan 0.000 0.518 206 F N 0.698 120.681 119.950 0.055 0.000 2.385 206 F HA 0.377 5.032 4.527 0.214 0.000 0.336 206 F C 0.783 176.617 175.800 0.057 0.000 1.100 206 F CA -0.115 57.943 58.000 0.097 0.000 1.116 206 F CB 1.777 40.809 39.000 0.054 0.000 1.166 206 F HN -0.085 nan 8.300 nan 0.000 0.511 207 T N 3.509 118.246 114.554 0.306 0.000 2.841 207 T HA 0.362 4.840 4.350 0.215 0.000 0.285 207 T C -0.315 174.491 174.700 0.177 0.000 0.991 207 T CA -0.921 61.281 62.100 0.169 0.000 0.966 207 T CB 1.071 70.004 68.868 0.107 0.000 0.962 207 T HN 0.407 nan 8.240 nan 0.000 0.438 208 R N 2.057 122.633 120.500 0.127 0.000 2.389 208 R HA 0.454 4.923 4.340 0.215 0.000 0.295 208 R C 0.862 177.216 176.300 0.089 0.000 1.075 208 R CA -0.524 55.651 56.100 0.126 0.000 1.005 208 R CB 0.518 30.872 30.300 0.089 0.000 0.987 208 R HN 0.722 nan 8.270 nan 0.000 0.452 209 T N -0.711 113.893 114.554 0.083 0.000 2.902 209 T HA 0.270 4.748 4.350 0.215 0.000 0.280 209 T C -1.817 172.919 174.700 0.058 0.000 0.992 209 T CA -1.942 60.191 62.100 0.055 0.000 1.015 209 T CB 1.495 70.381 68.868 0.030 0.000 1.044 209 T HN 0.276 nan 8.240 nan 0.000 0.520 210 P HA 0.116 nan 4.420 nan 0.000 0.244 210 P C 0.296 177.638 177.300 0.070 0.000 1.211 210 P CA 0.398 63.526 63.100 0.046 0.000 0.760 210 P CB -0.428 31.292 31.700 0.034 0.000 0.961 211 N N -0.589 118.168 118.700 0.095 0.000 2.383 211 N HA -0.006 4.863 4.740 0.215 0.000 0.192 211 N C 0.741 176.393 175.510 0.236 0.000 1.141 211 N CA -0.328 52.820 53.050 0.163 0.000 0.851 211 N CB -0.148 38.425 38.487 0.142 0.000 0.976 211 N HN 0.088 nan 8.380 nan 0.000 0.465 212 R N 1.683 122.278 120.500 0.159 0.000 2.566 212 R HA -0.071 4.398 4.340 0.215 0.000 0.273 212 R C -0.866 175.518 176.300 0.141 0.000 0.981 212 R CA 0.673 56.866 56.100 0.154 0.000 1.091 212 R CB 0.156 30.501 30.300 0.075 0.000 0.924 212 R HN 0.237 nan 8.270 nan 0.000 0.411 213 H N 2.693 121.780 119.070 0.028 0.000 2.771 213 H HA 0.239 4.925 4.556 0.217 0.000 0.361 213 H C -1.416 173.737 175.328 -0.292 0.000 1.108 213 H CA -0.814 55.105 56.048 -0.215 0.000 1.201 213 H CB 1.747 31.240 29.762 -0.447 0.000 1.681 213 H HN 0.664 nan 8.280 nan 0.000 0.534 214 D N 3.564 123.559 120.400 -0.675 0.000 2.256 214 D HA 0.184 4.953 4.640 0.215 0.000 0.240 214 D C -0.792 175.194 176.300 -0.523 0.000 1.062 214 D CA -0.094 53.663 54.000 -0.405 0.000 0.832 214 D CB 0.855 41.480 40.800 -0.292 0.000 1.135 214 D HN 0.325 nan 8.370 nan 0.000 0.484 215 Y N 1.084 121.381 120.300 -0.005 0.000 2.491 215 Y HA 0.550 5.230 4.550 0.217 0.000 0.334 215 Y C 0.545 176.451 175.900 0.009 0.000 0.969 215 Y CA -0.960 57.161 58.100 0.034 0.000 1.241 215 Y CB 0.957 39.455 38.460 0.063 0.000 1.105 215 Y HN 0.359 nan 8.280 nan 0.000 0.503 216 A N 3.780 126.648 122.820 0.080 0.000 2.269 216 A HA 0.798 5.247 4.320 0.215 0.000 0.319 216 A C -0.693 176.967 177.584 0.127 0.000 1.110 216 A CA -0.752 51.320 52.037 0.058 0.000 0.847 216 A CB 0.795 19.794 19.000 -0.001 0.000 1.161 216 A HN 0.763 nan 8.150 nan 0.000 0.497 217 L N 1.423 122.742 121.223 0.161 0.000 2.325 217 L HA 0.324 4.793 4.340 0.215 0.000 0.279 217 L C 0.230 177.217 176.870 0.196 0.000 1.054 217 L CA -0.969 54.017 54.840 0.244 0.000 0.804 217 L CB 1.223 43.525 42.059 0.404 0.000 1.200 217 L HN 0.631 nan 8.230 nan 0.000 0.436 218 K N 2.335 122.804 120.400 0.115 0.000 2.355 218 K HA 0.237 4.686 4.320 0.215 0.000 0.270 218 K C -2.289 174.076 176.600 -0.392 0.000 1.003 218 K CA -1.569 54.691 56.287 -0.043 0.000 0.957 218 K CB 0.233 32.736 32.500 0.005 0.000 0.939 218 K HN 0.231 nan 8.250 nan 0.000 0.482 219 P HA -0.011 nan 4.420 nan 0.000 0.267 219 P C -0.294 176.573 177.300 -0.721 0.000 1.200 219 P CA 0.007 62.004 63.100 -1.837 0.000 0.772 219 P CB 0.172 31.076 31.700 -1.328 0.000 0.855 220 F N 2.364 121.983 119.950 -0.552 0.000 2.651 220 F HA 0.465 5.123 4.527 0.218 0.000 0.369 220 F C 1.497 177.274 175.800 -0.038 0.000 1.187 220 F CA 0.024 57.961 58.000 -0.105 0.000 1.335 220 F CB -1.335 37.720 39.000 0.092 0.000 1.707 220 F HN 0.404 nan 8.300 nan 0.000 0.637 221 G N 0.489 109.341 108.800 0.087 0.000 2.337 221 G HA2 0.089 4.178 3.960 0.215 0.000 0.310 221 G HA3 0.089 4.178 3.960 0.215 0.000 0.310 221 G C -1.127 173.791 174.900 0.030 0.000 1.534 221 G CA -1.436 43.720 45.100 0.093 0.000 0.982 221 G HN 0.094 nan 8.290 nan 0.000 0.672 222 R N 0.667 121.195 120.500 0.046 0.000 2.401 222 R HA 0.451 4.920 4.340 0.215 0.000 0.299 222 R C 0.911 177.239 176.300 0.046 0.000 1.064 222 R CA 0.311 56.428 56.100 0.028 0.000 1.000 222 R CB 0.816 31.133 30.300 0.029 0.000 0.973 222 R HN 0.789 nan 8.270 nan 0.000 0.438 223 T N -2.137 112.434 114.554 0.027 0.000 2.897 223 T HA 0.148 4.627 4.350 0.215 0.000 0.278 223 T C 1.566 176.284 174.700 0.030 0.000 0.981 223 T CA -0.964 61.167 62.100 0.052 0.000 0.973 223 T CB 1.145 70.035 68.868 0.036 0.000 1.092 223 T HN 0.181 nan 8.240 nan 0.000 0.543 224 V N 0.887 120.825 119.914 0.040 0.000 2.469 224 V HA -0.195 4.054 4.120 0.215 0.000 0.251 224 V C 2.733 178.814 176.094 -0.020 0.000 1.064 224 V CA 2.062 64.372 62.300 0.016 0.000 1.066 224 V CB -1.091 30.744 31.823 0.021 0.000 0.667 224 V HN 0.817 nan 8.190 nan 0.000 0.461 225 M N 0.011 119.577 119.600 -0.057 0.000 2.080 225 M HA -0.236 4.373 4.480 0.215 0.000 0.260 225 M C 2.030 178.297 176.300 -0.055 0.000 1.068 225 M CA 2.380 57.628 55.300 -0.087 0.000 1.109 225 M CB -0.778 31.712 32.600 -0.183 0.000 1.342 225 M HN 0.401 nan 8.290 nan 0.000 0.405 226 N N -0.157 118.517 118.700 -0.042 0.000 2.061 226 N HA -0.191 4.678 4.740 0.215 0.000 0.193 226 N C 1.626 177.137 175.510 0.001 0.000 1.030 226 N CA 1.392 54.431 53.050 -0.018 0.000 0.856 226 N CB -0.067 38.415 38.487 -0.008 0.000 1.023 226 N HN 0.290 nan 8.380 nan 0.000 0.424 227 E N 0.661 120.866 120.200 0.009 0.000 2.106 227 E HA -0.090 4.389 4.350 0.215 0.000 0.192 227 E C 2.160 178.793 176.600 0.054 0.000 0.984 227 E CA 0.549 56.967 56.400 0.030 0.000 0.806 227 E CB -0.289 29.430 29.700 0.033 0.000 0.750 227 E HN 0.450 nan 8.360 nan 0.000 0.458 228 L N 0.821 122.061 121.223 0.029 0.000 2.017 228 L HA -0.189 4.280 4.340 0.215 0.000 0.208 228 L C 2.719 179.646 176.870 0.096 0.000 1.073 228 L CA 1.451 56.323 54.840 0.053 0.000 0.745 228 L CB -0.438 41.568 42.059 -0.088 0.000 0.894 228 L HN 0.089 nan 8.230 nan 0.000 0.432 229 K N 0.109 120.524 120.400 0.025 0.000 2.057 229 K HA -0.214 4.235 4.320 0.215 0.000 0.207 229 K C 1.594 178.199 176.600 0.008 0.000 1.049 229 K CA 1.881 58.173 56.287 0.008 0.000 0.931 229 K CB -0.010 32.482 32.500 -0.012 0.000 0.714 229 K HN 0.209 nan 8.250 nan 0.000 0.440 230 D N -0.018 120.392 120.400 0.016 0.000 2.264 230 D HA -0.059 4.710 4.640 0.215 0.000 0.208 230 D C 1.019 177.324 176.300 0.007 0.000 0.966 230 D CA 0.829 54.835 54.000 0.010 0.000 0.864 230 D CB 0.143 40.952 40.800 0.015 0.000 0.933 230 D HN 0.045 nan 8.370 nan 0.000 0.499 231 S N 0.152 115.873 115.700 0.035 0.000 2.582 231 S HA 0.017 4.616 4.470 0.215 0.000 0.234 231 S C -0.282 174.213 174.600 -0.175 0.000 0.961 231 S CA -0.279 57.920 58.200 -0.002 0.000 0.953 231 S CB 0.288 63.576 63.200 0.146 0.000 0.800 231 S HN 0.076 nan 8.310 nan 0.000 0.471 232 D N 0.197 120.522 120.400 -0.125 0.000 3.041 232 D HA -0.167 4.602 4.640 0.215 0.000 0.220 232 D C -0.528 175.616 176.300 -0.260 0.000 1.157 232 D CA 0.898 54.794 54.000 -0.175 0.000 0.876 232 D CB -1.606 39.086 40.800 -0.181 0.000 1.107 232 D HN 0.494 nan 8.370 nan 0.000 0.422 233 Y N 0.748 120.985 120.300 -0.105 0.000 2.316 233 Y HA 0.232 4.912 4.550 0.215 0.000 0.324 233 Y C 1.570 177.389 175.900 -0.135 0.000 1.267 233 Y CA -0.398 57.603 58.100 -0.166 0.000 1.311 233 Y CB 0.695 38.958 38.460 -0.329 0.000 1.267 233 Y HN -0.213 nan 8.280 nan 0.000 0.516 234 D N 1.347 121.792 120.400 0.074 0.000 2.350 234 D HA 0.252 5.021 4.640 0.215 0.000 0.249 234 D C -1.010 175.242 176.300 -0.080 0.000 1.119 234 D CA 0.213 54.211 54.000 -0.003 0.000 0.886 234 D CB 1.681 42.504 40.800 0.038 0.000 1.195 234 D HN 0.127 nan 8.370 nan 0.000 0.437 235 V N 4.047 123.899 119.914 -0.104 0.000 2.398 235 V HA 0.291 4.540 4.120 0.215 0.000 0.282 235 V C 0.122 176.144 176.094 -0.120 0.000 1.014 235 V CA -0.646 61.590 62.300 -0.107 0.000 0.838 235 V CB 1.126 32.908 31.823 -0.068 0.000 1.018 235 V HN 0.362 nan 8.190 nan 0.000 0.432 236 I N 4.213 124.675 120.570 -0.179 0.000 2.328 236 I HA 0.687 4.985 4.170 0.215 0.000 0.287 236 I C 0.571 176.652 176.117 -0.060 0.000 1.012 236 I CA -0.373 60.822 61.300 -0.176 0.000 1.195 236 I CB 1.637 39.433 38.000 -0.339 0.000 1.350 236 I HN 0.631 nan 8.210 nan 0.000 0.464 237 A N 8.265 131.063 122.820 -0.037 0.000 2.274 237 A HA 0.799 5.248 4.320 0.215 0.000 0.309 237 A C -0.444 177.125 177.584 -0.024 0.000 1.226 237 A CA -0.390 51.636 52.037 -0.019 0.000 0.853 237 A CB 0.363 19.341 19.000 -0.037 0.000 1.146 237 A HN 0.702 nan 8.150 nan 0.000 0.518 238 I N 2.692 123.257 120.570 -0.008 0.000 2.406 238 I HA 0.606 4.905 4.170 0.215 0.000 0.290 238 I C 0.954 177.056 176.117 -0.026 0.000 0.999 238 I CA 0.192 61.492 61.300 0.001 0.000 1.124 238 I CB 1.571 39.603 38.000 0.053 0.000 1.289 238 I HN 1.088 nan 8.210 nan 0.000 0.441 239 G N 5.977 114.755 108.800 -0.037 0.000 2.498 239 G HA2 -0.227 3.862 3.960 0.215 0.000 0.251 239 G HA3 -0.227 3.862 3.960 0.215 0.000 0.251 239 G C 0.562 175.408 174.900 -0.089 0.000 1.170 239 G CA -0.341 44.725 45.100 -0.057 0.000 0.944 239 G HN 0.529 nan 8.290 nan 0.000 0.567 240 K N 0.676 121.006 120.400 -0.116 0.000 2.525 240 K HA 0.205 4.654 4.320 0.215 0.000 0.192 240 K C 2.551 179.033 176.600 -0.197 0.000 1.029 240 K CA 0.430 56.624 56.287 -0.155 0.000 1.029 240 K CB -0.202 32.193 32.500 -0.174 0.000 0.814 240 K HN 0.458 nan 8.250 nan 0.000 0.503 241 I N 0.819 121.270 120.570 -0.198 0.000 2.118 241 I HA -0.312 3.987 4.170 0.215 0.000 0.241 241 I C 2.417 178.512 176.117 -0.036 0.000 1.070 241 I CA 1.363 62.535 61.300 -0.213 0.000 1.327 241 I CB -1.273 36.528 38.000 -0.333 0.000 1.034 241 I HN 0.142 nan 8.210 nan 0.000 0.405 242 S N 0.481 116.157 115.700 -0.040 0.000 2.359 242 S HA -0.215 4.383 4.470 0.215 0.000 0.224 242 S C 1.687 176.284 174.600 -0.006 0.000 1.035 242 S CA 1.866 60.069 58.200 0.005 0.000 1.018 242 S CB -0.210 62.972 63.200 -0.030 0.000 0.876 242 S HN 0.378 nan 8.310 nan 0.000 0.448 243 D N 1.061 121.415 120.400 -0.076 0.000 2.123 243 D HA -0.057 4.712 4.640 0.215 0.000 0.196 243 D C 1.859 178.092 176.300 -0.111 0.000 0.992 243 D CA 1.122 55.058 54.000 -0.106 0.000 0.833 243 D CB -0.442 40.272 40.800 -0.145 0.000 0.954 243 D HN 0.466 nan 8.370 nan 0.000 0.455 244 I N -0.395 120.061 120.570 -0.190 0.000 2.286 244 I HA -0.274 4.025 4.170 0.215 0.000 0.248 244 I C 1.336 177.352 176.117 -0.168 0.000 1.115 244 I CA 1.121 62.228 61.300 -0.321 0.000 1.392 244 I CB -0.134 37.476 38.000 -0.649 0.000 1.065 244 I HN 0.041 nan 8.210 nan 0.000 0.418 245 Y N -0.348 120.001 120.300 0.082 0.000 2.468 245 Y HA 0.077 4.751 4.550 0.208 0.000 0.268 245 Y C 0.602 176.514 175.900 0.021 0.000 1.177 245 Y CA -0.251 57.914 58.100 0.108 0.000 1.265 245 Y CB -0.172 38.322 38.460 0.057 0.000 1.103 245 Y HN 0.103 nan 8.280 nan 0.000 0.522 246 D N 0.766 121.232 120.400 0.111 0.000 2.701 246 D HA -0.225 4.544 4.640 0.215 0.000 0.235 246 D C 1.391 177.718 176.300 0.044 0.000 1.155 246 D CA 1.397 55.427 54.000 0.049 0.000 0.649 246 D CB -1.103 39.727 40.800 0.049 0.000 1.050 246 D HN 0.684 nan 8.370 nan 0.000 0.425 247 G N -0.809 108.025 108.800 0.057 0.000 2.184 247 G HA2 -0.348 3.741 3.960 0.215 0.000 0.264 247 G HA3 -0.348 3.741 3.960 0.215 0.000 0.264 247 G C 0.043 174.959 174.900 0.026 0.000 0.975 247 G CA 0.371 45.489 45.100 0.029 0.000 0.642 247 G HN 0.491 nan 8.290 nan 0.000 0.536 248 E N 0.595 120.823 120.200 0.047 0.000 2.328 248 E HA 0.412 4.890 4.350 0.215 0.000 0.265 248 E C 1.339 177.921 176.600 -0.029 0.000 1.057 248 E CA 1.035 57.442 56.400 0.011 0.000 0.916 248 E CB 0.390 30.096 29.700 0.009 0.000 0.993 248 E HN 1.405 nan 8.360 nan 0.000 0.446 249 G N 2.298 111.079 108.800 -0.032 0.000 2.159 249 G HA2 -0.275 3.814 3.960 0.215 0.000 0.256 249 G HA3 -0.275 3.814 3.960 0.215 0.000 0.256 249 G C 0.297 175.167 174.900 -0.050 0.000 0.977 249 G CA 0.214 45.286 45.100 -0.048 0.000 0.652 249 G HN 0.398 nan 8.290 nan 0.000 0.531 250 V N 1.584 121.475 119.914 -0.038 0.000 2.432 250 V HA 0.535 4.784 4.120 0.215 0.000 0.275 250 V C 1.640 177.713 176.094 -0.036 0.000 1.043 250 V CA 0.718 62.996 62.300 -0.037 0.000 0.925 250 V CB 1.319 33.127 31.823 -0.025 0.000 0.985 250 V HN 0.655 nan 8.190 nan 0.000 0.466 251 T N 0.747 115.274 114.554 -0.045 0.000 3.040 251 T HA 0.218 4.697 4.350 0.215 0.000 0.252 251 T C 0.407 175.079 174.700 -0.046 0.000 1.064 251 T CA 0.183 62.257 62.100 -0.043 0.000 1.110 251 T CB 0.422 69.263 68.868 -0.045 0.000 0.921 251 T HN 0.609 nan 8.240 nan 0.000 0.480 252 E N 0.151 120.316 120.200 -0.058 0.000 2.343 252 E HA 0.532 5.011 4.350 0.215 0.000 0.278 252 E C -1.869 174.700 176.600 -0.053 0.000 0.910 252 E CA -0.603 55.765 56.400 -0.055 0.000 0.757 252 E CB 2.281 31.941 29.700 -0.067 0.000 1.218 252 E HN 0.116 nan 8.360 nan 0.000 0.435 253 S N 4.188 119.863 115.700 -0.042 0.000 2.502 253 S HA 0.567 5.166 4.470 0.215 0.000 0.304 253 S C -1.228 173.351 174.600 -0.035 0.000 1.097 253 S CA -0.635 57.541 58.200 -0.040 0.000 1.045 253 S CB 0.518 63.694 63.200 -0.040 0.000 1.019 253 S HN 0.453 nan 8.310 nan 0.000 0.481 254 L N 5.107 126.311 121.223 -0.031 0.000 2.318 254 L HA 0.547 5.016 4.340 0.215 0.000 0.277 254 L C 0.583 177.438 176.870 -0.025 0.000 1.008 254 L CA -0.729 54.098 54.840 -0.021 0.000 0.846 254 L CB 1.228 43.282 42.059 -0.009 0.000 1.220 254 L HN 0.571 nan 8.230 nan 0.000 0.423 255 R N 2.174 122.657 120.500 -0.028 0.000 2.643 255 R HA 0.343 4.812 4.340 0.215 0.000 0.270 255 R C -0.390 175.894 176.300 -0.027 0.000 1.061 255 R CA 0.134 56.213 56.100 -0.035 0.000 1.107 255 R CB 1.062 31.339 30.300 -0.037 0.000 0.999 255 R HN 0.738 nan 8.270 nan 0.000 0.460 256 T N -0.173 114.361 114.554 -0.033 0.000 2.906 256 T HA 0.394 4.873 4.350 0.215 0.000 0.295 256 T C 0.237 174.914 174.700 -0.038 0.000 1.061 256 T CA -1.012 61.072 62.100 -0.028 0.000 1.000 256 T CB 2.009 70.862 68.868 -0.023 0.000 1.103 256 T HN 0.625 nan 8.240 nan 0.000 0.486 257 K N 0.520 120.900 120.400 -0.034 0.000 2.360 257 K HA 0.332 4.780 4.320 0.215 0.000 0.196 257 K C 0.434 177.005 176.600 -0.049 0.000 1.049 257 K CA -0.060 56.204 56.287 -0.039 0.000 1.049 257 K CB 0.632 33.115 32.500 -0.027 0.000 0.881 257 K HN 0.832 nan 8.250 nan 0.000 0.542 258 S N -1.525 114.145 115.700 -0.050 0.000 2.615 258 S HA 0.202 4.800 4.470 0.215 0.000 0.268 258 S C -0.143 174.416 174.600 -0.068 0.000 1.146 258 S CA -0.929 57.233 58.200 -0.063 0.000 0.818 258 S CB 0.797 63.974 63.200 -0.039 0.000 1.111 258 S HN 0.067 nan 8.310 nan 0.000 0.465 259 N N -0.096 118.542 118.700 -0.102 0.000 2.104 259 N HA -0.120 4.749 4.740 0.215 0.000 0.190 259 N C 1.436 176.938 175.510 -0.013 0.000 1.024 259 N CA 1.556 54.542 53.050 -0.106 0.000 0.853 259 N CB -0.297 38.061 38.487 -0.216 0.000 1.008 259 N HN 0.452 nan 8.380 nan 0.000 0.424 260 M N 0.664 120.263 119.600 -0.002 0.000 2.175 260 M HA -0.119 4.489 4.480 0.215 0.000 0.264 260 M C 1.588 177.898 176.300 0.017 0.000 1.063 260 M CA 1.285 56.598 55.300 0.021 0.000 1.119 260 M CB -1.054 31.556 32.600 0.016 0.000 1.377 260 M HN 0.069 nan 8.290 nan 0.000 0.415 261 D N 0.020 120.422 120.400 0.004 0.000 2.144 261 D HA -0.087 4.682 4.640 0.215 0.000 0.199 261 D C 2.012 178.321 176.300 0.015 0.000 0.984 261 D CA 1.606 55.610 54.000 0.005 0.000 0.834 261 D CB -0.248 40.549 40.800 -0.006 0.000 0.955 261 D HN 0.359 nan 8.370 nan 0.000 0.465 262 G N 0.133 108.941 108.800 0.014 0.000 2.440 262 G HA2 -0.235 3.854 3.960 0.215 0.000 0.218 262 G HA3 -0.235 3.854 3.960 0.215 0.000 0.218 262 G C 1.527 176.467 174.900 0.067 0.000 1.154 262 G CA 0.859 45.980 45.100 0.035 0.000 0.767 262 G HN 0.193 nan 8.290 nan 0.000 0.552 263 M N 1.014 120.657 119.600 0.073 0.000 2.229 263 M HA 0.008 4.617 4.480 0.215 0.000 0.264 263 M C 1.919 178.250 176.300 0.051 0.000 1.063 263 M CA 0.836 56.184 55.300 0.080 0.000 1.114 263 M CB -0.902 31.746 32.600 0.079 0.000 1.387 263 M HN 0.109 nan 8.290 nan 0.000 0.420 264 D N 0.556 120.979 120.400 0.038 0.000 2.117 264 D HA -0.131 4.638 4.640 0.215 0.000 0.197 264 D C 1.991 178.317 176.300 0.043 0.000 0.987 264 D CA 1.190 55.208 54.000 0.031 0.000 0.829 264 D CB -0.095 40.718 40.800 0.022 0.000 0.961 264 D HN 0.158 nan 8.370 nan 0.000 0.460 265 K N 0.356 120.785 120.400 0.049 0.000 2.155 265 K HA -0.015 4.433 4.320 0.215 0.000 0.203 265 K C 1.864 178.519 176.600 0.092 0.000 1.052 265 K CA 0.056 56.378 56.287 0.058 0.000 0.948 265 K CB -0.519 32.008 32.500 0.045 0.000 0.728 265 K HN 0.040 nan 8.250 nan 0.000 0.448 266 L N 0.155 121.442 121.223 0.108 0.000 2.012 266 L HA -0.156 4.312 4.340 0.215 0.000 0.210 266 L C 1.793 178.734 176.870 0.118 0.000 1.073 266 L CA 1.541 56.472 54.840 0.151 0.000 0.748 266 L CB -0.470 41.677 42.059 0.146 0.000 0.891 266 L HN -0.051 nan 8.230 nan 0.000 0.431 267 V N -0.070 119.882 119.914 0.064 0.000 2.343 267 V HA -0.307 3.942 4.120 0.215 0.000 0.247 267 V C 2.281 178.421 176.094 0.076 0.000 1.051 267 V CA 1.921 64.244 62.300 0.038 0.000 1.036 267 V CB -0.853 30.980 31.823 0.017 0.000 0.654 267 V HN 0.474 nan 8.190 nan 0.000 0.451 268 D N 0.449 120.900 120.400 0.085 0.000 2.133 268 D HA -0.173 4.596 4.640 0.215 0.000 0.195 268 D C 2.395 178.786 176.300 0.152 0.000 0.997 268 D CA 2.194 56.251 54.000 0.095 0.000 0.840 268 D CB -0.495 40.348 40.800 0.072 0.000 0.947 268 D HN 0.651 nan 8.370 nan 0.000 0.452 269 T N -1.051 113.626 114.554 0.205 0.000 2.904 269 T HA -0.054 4.424 4.350 0.215 0.000 0.267 269 T C 2.338 177.385 174.700 0.579 0.000 1.059 269 T CA 0.450 62.754 62.100 0.340 0.000 1.137 269 T CB -0.599 68.448 68.868 0.298 0.000 0.879 269 T HN 0.093 nan 8.240 nan 0.000 0.467 270 L N 1.377 122.838 121.223 0.398 0.000 2.127 270 L HA -0.045 4.424 4.340 0.215 0.000 0.211 270 L C 2.402 179.400 176.870 0.213 0.000 1.089 270 L CA 1.124 56.107 54.840 0.239 0.000 0.757 270 L CB -0.601 41.417 42.059 -0.067 0.000 0.899 270 L HN 0.275 nan 8.230 nan 0.000 0.434 271 N N -0.692 118.116 118.700 0.181 0.000 2.467 271 N HA 0.063 4.932 4.740 0.215 0.000 0.184 271 N C 0.371 175.981 175.510 0.166 0.000 1.106 271 N CA 0.555 53.688 53.050 0.138 0.000 0.892 271 N CB 0.088 38.633 38.487 0.097 0.000 0.969 271 N HN 0.318 nan 8.380 nan 0.000 0.454 272 M N 0.357 120.112 119.600 0.258 0.000 2.233 272 M HA 0.094 4.703 4.480 0.215 0.000 0.355 272 M C -0.241 176.236 176.300 0.294 0.000 1.191 272 M CA -0.631 54.839 55.300 0.283 0.000 1.101 272 M CB 1.171 33.981 32.600 0.351 0.000 1.592 272 M HN -0.212 nan 8.290 nan 0.000 0.461 273 D N 4.174 124.691 120.400 0.196 0.000 2.374 273 D HA 0.326 5.095 4.640 0.215 0.000 0.240 273 D C -1.467 174.957 176.300 0.207 0.000 1.229 273 D CA 0.153 54.228 54.000 0.124 0.000 0.895 273 D CB -0.042 40.808 40.800 0.082 0.000 1.046 273 D HN 0.340 nan 8.370 nan 0.000 0.498 274 F N 0.105 120.094 119.950 0.065 0.000 2.664 274 F HA 0.725 5.378 4.527 0.210 0.000 0.317 274 F C -1.085 174.744 175.800 0.048 0.000 1.108 274 F CA -0.985 57.038 58.000 0.038 0.000 0.957 274 F CB 1.396 40.404 39.000 0.014 0.000 1.365 274 F HN -0.080 nan 8.300 nan 0.000 0.475 275 T N 1.576 116.254 114.554 0.206 0.000 2.881 275 T HA 0.741 5.220 4.350 0.215 0.000 0.291 275 T C -0.032 174.784 174.700 0.193 0.000 0.990 275 T CA -0.084 62.103 62.100 0.147 0.000 0.976 275 T CB 0.835 69.817 68.868 0.190 0.000 0.970 275 T HN 1.504 nan 8.240 nan 0.000 0.438 276 G N 2.221 110.995 108.800 -0.044 0.000 2.240 276 G HA2 0.241 4.330 3.960 0.215 0.000 0.199 276 G HA3 0.241 4.330 3.960 0.215 0.000 0.199 276 G C -2.190 172.672 174.900 -0.064 0.000 1.342 276 G CA -0.789 43.984 45.100 -0.546 0.000 1.145 276 G HN 0.798 nan 8.290 nan 0.000 0.477 277 L N 1.007 122.179 121.223 -0.086 0.000 2.341 277 L HA 0.853 5.322 4.340 0.215 0.000 0.278 277 L C 0.147 176.931 176.870 -0.144 0.000 1.005 277 L CA -0.220 54.593 54.840 -0.045 0.000 0.818 277 L CB 2.053 44.061 42.059 -0.084 0.000 1.259 277 L HN 0.985 nan 8.230 nan 0.000 0.418 278 S N 5.711 121.316 115.700 -0.158 0.000 2.456 278 S HA 0.570 5.169 4.470 0.215 0.000 0.316 278 S C -1.148 173.540 174.600 0.148 0.000 1.089 278 S CA -0.488 57.639 58.200 -0.123 0.000 1.101 278 S CB 0.243 63.370 63.200 -0.121 0.000 0.995 278 S HN 0.566 nan 8.310 nan 0.000 0.468 279 F N 6.306 126.263 119.950 0.012 0.000 2.496 279 F HA 0.543 5.187 4.527 0.196 0.000 0.341 279 F C -1.225 174.640 175.800 0.108 0.000 1.134 279 F CA -1.277 56.770 58.000 0.078 0.000 0.968 279 F CB 1.061 40.094 39.000 0.056 0.000 1.205 279 F HN 0.537 nan 8.300 nan 0.000 0.436 280 L N 6.251 127.769 121.223 0.492 0.000 2.322 280 L HA 0.484 4.953 4.340 0.215 0.000 0.281 280 L C -1.369 175.638 176.870 0.227 0.000 1.014 280 L CA -0.244 54.750 54.840 0.256 0.000 0.815 280 L CB 1.756 43.959 42.059 0.242 0.000 1.247 280 L HN 0.646 nan 8.230 nan 0.000 0.421 281 N N 4.032 122.785 118.700 0.088 0.000 2.417 281 N HA 0.470 5.339 4.740 0.215 0.000 0.274 281 N C -1.465 174.071 175.510 0.043 0.000 0.987 281 N CA -0.480 52.623 53.050 0.087 0.000 0.912 281 N CB 0.923 39.414 38.487 0.006 0.000 1.177 281 N HN 0.711 nan 8.380 nan 0.000 0.490 282 L N 4.463 125.721 121.223 0.059 0.000 2.302 282 L HA 0.274 4.743 4.340 0.215 0.000 0.285 282 L C 0.983 177.805 176.870 -0.080 0.000 1.090 282 L CA -0.378 54.441 54.840 -0.036 0.000 0.866 282 L CB 1.163 43.215 42.059 -0.012 0.000 1.244 282 L HN 0.513 nan 8.230 nan 0.000 0.435 283 V N 2.069 121.907 119.914 -0.126 0.000 3.235 283 V HA -0.101 4.148 4.120 0.215 0.000 0.259 283 V C 1.556 177.546 176.094 -0.173 0.000 1.133 283 V CA 1.208 63.449 62.300 -0.097 0.000 1.128 283 V CB 0.131 31.903 31.823 -0.085 0.000 0.757 283 V HN 0.746 nan 8.190 nan 0.000 0.469 284 D N 0.480 120.683 120.400 -0.327 0.000 2.149 284 D HA -0.179 4.589 4.640 0.215 0.000 0.198 284 D C 1.901 178.005 176.300 -0.327 0.000 0.990 284 D CA 1.482 55.262 54.000 -0.367 0.000 0.839 284 D CB -0.290 40.297 40.800 -0.354 0.000 0.948 284 D HN 0.518 nan 8.370 nan 0.000 0.460 285 F N 1.015 120.888 119.950 -0.128 0.000 2.091 285 F HA -0.156 4.487 4.527 0.192 0.000 0.299 285 F C 2.317 177.868 175.800 -0.415 0.000 1.103 285 F CA 1.193 58.965 58.000 -0.381 0.000 1.228 285 F CB -0.995 37.799 39.000 -0.342 0.000 0.984 285 F HN -0.036 nan 8.300 nan 0.000 0.477 286 D N -0.377 120.026 120.400 0.004 0.000 2.091 286 D HA -0.084 4.685 4.640 0.215 0.000 0.199 286 D C 2.202 178.545 176.300 0.071 0.000 0.980 286 D CA 1.365 55.394 54.000 0.049 0.000 0.831 286 D CB -0.249 40.634 40.800 0.138 0.000 0.987 286 D HN 0.112 nan 8.370 nan 0.000 0.460 287 A N -0.340 122.474 122.820 -0.009 0.000 1.968 287 A HA 0.017 4.466 4.320 0.215 0.000 0.217 287 A C 2.220 179.703 177.584 -0.169 0.000 1.169 287 A CA 0.912 52.932 52.037 -0.027 0.000 0.638 287 A CB -0.438 18.509 19.000 -0.088 0.000 0.812 287 A HN 0.349 nan 8.150 nan 0.000 0.446 288 L N -3.090 117.862 121.223 -0.452 0.000 2.269 288 L HA 0.164 4.633 4.340 0.215 0.000 0.200 288 L C 2.192 178.650 176.870 -0.688 0.000 1.069 288 L CA 0.715 55.074 54.840 -0.802 0.000 0.804 288 L CB -0.287 40.915 42.059 -1.427 0.000 0.987 288 L HN 0.422 nan 8.230 nan 0.000 0.468 289 F N -0.698 119.206 119.950 -0.077 0.000 2.453 289 F HA 0.241 4.888 4.527 0.199 0.000 0.284 289 F C 2.446 178.292 175.800 0.076 0.000 1.065 289 F CA 0.427 58.406 58.000 -0.036 0.000 1.411 289 F CB -0.780 38.127 39.000 -0.156 0.000 1.131 289 F HN -0.073 nan 8.300 nan 0.000 0.582 290 G N 0.336 109.242 108.800 0.178 0.000 2.453 290 G HA2 -0.206 3.883 3.960 0.215 0.000 0.215 290 G HA3 -0.206 3.883 3.960 0.215 0.000 0.215 290 G C 1.442 176.412 174.900 0.117 0.000 1.201 290 G CA 0.956 46.195 45.100 0.232 0.000 0.784 290 G HN 0.310 nan 8.290 nan 0.000 0.545 291 H N 0.477 119.640 119.070 0.155 0.000 2.423 291 H HA 0.062 4.746 4.556 0.213 0.000 0.297 291 H C 2.618 177.994 175.328 0.081 0.000 1.075 291 H CA 0.981 57.092 56.048 0.105 0.000 1.342 291 H CB 0.093 29.891 29.762 0.059 0.000 1.395 291 H HN 0.291 nan 8.280 nan 0.000 0.530 292 R N 0.552 121.162 120.500 0.182 0.000 2.313 292 R HA 0.020 4.489 4.340 0.215 0.000 0.199 292 R C 0.116 176.495 176.300 0.131 0.000 0.958 292 R CA -0.146 56.030 56.100 0.126 0.000 1.047 292 R CB 0.361 30.711 30.300 0.083 0.000 0.955 292 R HN 0.036 nan 8.270 nan 0.000 0.481 293 R N 1.628 122.223 120.500 0.157 0.000 3.205 293 R HA -0.166 4.302 4.340 0.215 0.000 0.249 293 R C -0.977 175.394 176.300 0.118 0.000 0.937 293 R CA 0.664 56.847 56.100 0.138 0.000 0.641 293 R CB -2.075 28.286 30.300 0.101 0.000 1.114 293 R HN 0.276 nan 8.270 nan 0.000 0.451 294 D N 0.380 120.886 120.400 0.177 0.000 2.434 294 D HA 0.272 5.041 4.640 0.215 0.000 0.275 294 D C -1.214 175.153 176.300 0.112 0.000 1.172 294 D CA -2.229 51.861 54.000 0.151 0.000 0.916 294 D CB 1.043 42.007 40.800 0.273 0.000 1.041 294 D HN 0.039 nan 8.370 nan 0.000 0.501 295 P HA -0.173 nan 4.420 nan 0.000 0.218 295 P C 1.303 178.468 177.300 -0.224 0.000 1.149 295 P CA 0.790 63.771 63.100 -0.198 0.000 0.817 295 P CB 0.644 32.066 31.700 -0.462 0.000 0.785 296 Q N 0.839 120.478 119.800 -0.269 0.000 2.016 296 Q HA -0.066 4.403 4.340 0.215 0.000 0.200 296 Q C 2.421 178.387 176.000 -0.057 0.000 0.978 296 Q CA 2.403 58.207 55.803 0.002 0.000 0.833 296 Q CB -1.598 27.221 28.738 0.135 0.000 0.895 296 Q HN 0.189 nan 8.270 nan 0.000 0.427 297 G N -0.811 107.917 108.800 -0.121 0.000 2.442 297 G HA2 -0.297 3.791 3.960 0.215 0.000 0.219 297 G HA3 -0.297 3.791 3.960 0.215 0.000 0.219 297 G C 1.241 175.482 174.900 -1.098 0.000 1.141 297 G CA 0.934 45.735 45.100 -0.499 0.000 0.763 297 G HN 0.423 nan 8.290 nan 0.000 0.554 298 Y N 1.962 121.840 120.300 -0.704 0.000 2.145 298 Y HA -0.039 4.640 4.550 0.215 0.000 0.286 298 Y C 2.862 178.639 175.900 -0.205 0.000 1.145 298 Y CA 1.124 58.996 58.100 -0.380 0.000 1.148 298 Y CB -0.764 37.683 38.460 -0.021 0.000 0.981 298 Y HN 0.136 nan 8.280 nan 0.000 0.507 299 G N -0.539 108.305 108.800 0.073 0.000 2.446 299 G HA2 -0.261 3.828 3.960 0.215 0.000 0.217 299 G HA3 -0.261 3.828 3.960 0.215 0.000 0.217 299 G C 1.558 176.481 174.900 0.038 0.000 1.168 299 G CA 1.018 46.153 45.100 0.058 0.000 0.771 299 G HN 0.485 nan 8.290 nan 0.000 0.551 300 E N 0.533 120.713 120.200 -0.034 0.000 2.085 300 E HA -0.070 4.409 4.350 0.215 0.000 0.194 300 E C 2.930 179.531 176.600 0.002 0.000 0.994 300 E CA 0.819 57.200 56.400 -0.030 0.000 0.801 300 E CB -0.205 29.455 29.700 -0.066 0.000 0.743 300 E HN 0.419 nan 8.360 nan 0.000 0.453 301 A N 1.110 123.894 122.820 -0.060 0.000 1.902 301 A HA -0.154 4.295 4.320 0.215 0.000 0.217 301 A C 2.188 180.013 177.584 0.401 0.000 1.181 301 A CA 1.018 53.119 52.037 0.107 0.000 0.623 301 A CB -0.596 18.423 19.000 0.030 0.000 0.818 301 A HN 0.131 nan 8.150 nan 0.000 0.443 302 L N -0.831 120.635 121.223 0.404 0.000 2.083 302 L HA -0.258 4.210 4.340 0.215 0.000 0.209 302 L C 2.891 179.929 176.870 0.280 0.000 1.083 302 L CA 1.590 56.643 54.840 0.355 0.000 0.752 302 L CB -0.516 41.631 42.059 0.147 0.000 0.899 302 L HN 0.494 nan 8.230 nan 0.000 0.433 303 Q N -0.348 119.549 119.800 0.163 0.000 2.119 303 Q HA -0.211 4.258 4.340 0.215 0.000 0.201 303 Q C 2.062 178.114 176.000 0.085 0.000 0.972 303 Q CA 1.346 57.205 55.803 0.093 0.000 0.847 303 Q CB -0.042 28.727 28.738 0.052 0.000 0.903 303 Q HN 0.550 nan 8.270 nan 0.000 0.433 304 E N 0.053 120.323 120.200 0.118 0.000 2.072 304 E HA -0.212 4.267 4.350 0.215 0.000 0.191 304 E C 1.711 178.381 176.600 0.118 0.000 0.985 304 E CA 1.124 57.580 56.400 0.093 0.000 0.801 304 E CB -0.185 29.568 29.700 0.090 0.000 0.750 304 E HN 0.365 nan 8.360 nan 0.000 0.452 305 Y N 1.978 122.342 120.300 0.107 0.000 2.128 305 Y HA -0.268 4.319 4.550 0.062 0.000 0.284 305 Y C 1.828 177.760 175.900 0.054 0.000 1.154 305 Y CA 2.085 60.258 58.100 0.121 0.000 1.149 305 Y CB -0.400 38.239 38.460 0.298 0.000 0.976 305 Y HN -0.014 nan 8.280 nan 0.000 0.505 306 D N 0.006 120.266 120.400 -0.234 0.000 2.149 306 D HA -0.194 4.575 4.640 0.215 0.000 0.198 306 D C 2.152 178.270 176.300 -0.304 0.000 0.990 306 D CA 1.522 55.301 54.000 -0.369 0.000 0.839 306 D CB -0.328 40.407 40.800 -0.108 0.000 0.948 306 D HN 0.477 nan 8.370 nan 0.000 0.460 307 A N -0.092 122.624 122.820 -0.173 0.000 2.121 307 A HA -0.112 4.337 4.320 0.215 0.000 0.218 307 A C 2.006 179.485 177.584 -0.174 0.000 1.154 307 A CA 0.779 52.734 52.037 -0.137 0.000 0.679 307 A CB -0.294 18.664 19.000 -0.069 0.000 0.795 307 A HN 0.111 nan 8.150 nan 0.000 0.458 308 R N -0.479 119.890 120.500 -0.219 0.000 2.200 308 R HA 0.143 4.612 4.340 0.215 0.000 0.208 308 R C 1.787 177.900 176.300 -0.312 0.000 1.033 308 R CA 0.485 56.461 56.100 -0.206 0.000 1.000 308 R CB -0.789 29.431 30.300 -0.134 0.000 0.906 308 R HN 0.574 nan 8.270 nan 0.000 0.462 309 L N 0.843 121.777 121.223 -0.481 0.000 2.083 309 L HA -0.118 4.351 4.340 0.215 0.000 0.209 309 L C -0.661 175.629 176.870 -0.966 0.000 1.083 309 L CA 1.374 55.765 54.840 -0.749 0.000 0.752 309 L CB -1.390 40.131 42.059 -0.896 0.000 0.899 309 L HN 0.076 nan 8.230 nan 0.000 0.433 310 P HA -0.199 nan 4.420 nan 0.000 0.218 310 P C 1.377 178.561 177.300 -0.194 0.000 1.149 310 P CA 1.231 64.113 63.100 -0.363 0.000 0.817 310 P CB 0.100 31.719 31.700 -0.135 0.000 0.785 311 E N -0.357 119.732 120.200 -0.185 0.000 2.110 311 E HA -0.136 4.343 4.350 0.215 0.000 0.193 311 E C 1.761 178.306 176.600 -0.090 0.000 0.988 311 E CA 0.978 57.319 56.400 -0.099 0.000 0.804 311 E CB -0.327 29.322 29.700 -0.084 0.000 0.745 311 E HN -0.060 nan 8.360 nan 0.000 0.458 312 V N 0.812 120.622 119.914 -0.172 0.000 2.295 312 V HA -0.258 3.990 4.120 0.215 0.000 0.246 312 V C 2.093 178.221 176.094 0.056 0.000 1.049 312 V CA 1.689 63.918 62.300 -0.118 0.000 1.024 312 V CB -0.682 31.041 31.823 -0.167 0.000 0.648 312 V HN 0.292 nan 8.190 nan 0.000 0.447 313 F N 1.128 121.089 119.950 0.018 0.000 2.091 313 F HA -0.192 4.476 4.527 0.236 0.000 0.299 313 F C 2.523 178.361 175.800 0.064 0.000 1.103 313 F CA 1.121 59.177 58.000 0.094 0.000 1.228 313 F CB -1.692 37.349 39.000 0.069 0.000 0.984 313 F HN 0.151 nan 8.300 nan 0.000 0.477 314 A N -0.315 122.628 122.820 0.204 0.000 2.019 314 A HA -0.190 4.259 4.320 0.215 0.000 0.219 314 A C 2.167 179.793 177.584 0.070 0.000 1.164 314 A CA 1.615 53.721 52.037 0.114 0.000 0.644 314 A CB -0.616 18.423 19.000 0.065 0.000 0.805 314 A HN 0.405 nan 8.150 nan 0.000 0.449 315 K N -0.842 119.583 120.400 0.043 0.000 2.356 315 K HA 0.271 4.720 4.320 0.215 0.000 0.195 315 K C -0.190 176.402 176.600 -0.013 0.000 1.037 315 K CA -0.227 56.062 56.287 0.004 0.000 1.014 315 K CB -0.018 32.464 32.500 -0.031 0.000 0.815 315 K HN 0.379 nan 8.250 nan 0.000 0.507 316 L N 2.676 123.897 121.223 -0.002 0.000 2.499 316 L HA -0.017 4.452 4.340 0.215 0.000 0.273 316 L C 0.328 177.203 176.870 0.008 0.000 1.195 316 L CA 0.358 55.186 54.840 -0.020 0.000 0.882 316 L CB 0.233 42.287 42.059 -0.008 0.000 1.133 316 L HN 0.045 nan 8.230 nan 0.000 0.483 317 K N 2.398 122.813 120.400 0.026 0.000 2.148 317 K HA 0.168 4.616 4.320 0.215 0.000 0.239 317 K C 0.750 177.366 176.600 0.027 0.000 1.018 317 K CA -0.942 55.364 56.287 0.031 0.000 0.923 317 K CB 0.902 33.428 32.500 0.044 0.000 1.117 317 K HN 0.423 nan 8.250 nan 0.000 0.477 318 E N 1.408 121.623 120.200 0.026 0.000 2.160 318 E HA -0.180 4.299 4.350 0.215 0.000 0.195 318 E C 0.629 177.273 176.600 0.074 0.000 0.991 318 E CA 1.404 57.820 56.400 0.028 0.000 0.810 318 E CB -0.149 29.560 29.700 0.016 0.000 0.742 318 E HN 0.591 nan 8.360 nan 0.000 0.466 319 D N 0.505 120.957 120.400 0.087 0.000 2.491 319 D HA 0.066 4.835 4.640 0.215 0.000 0.228 319 D C -0.427 176.023 176.300 0.250 0.000 1.183 319 D CA -0.247 53.840 54.000 0.145 0.000 0.827 319 D CB -0.102 40.726 40.800 0.047 0.000 0.989 319 D HN -0.201 nan 8.370 nan 0.000 0.494 320 D N 0.575 121.095 120.400 0.201 0.000 2.185 320 D HA 0.428 5.197 4.640 0.215 0.000 0.247 320 D C -0.672 175.607 176.300 -0.035 0.000 1.027 320 D CA -0.588 53.516 54.000 0.174 0.000 0.861 320 D CB 2.287 43.222 40.800 0.225 0.000 1.202 320 D HN 0.056 nan 8.370 nan 0.000 0.453 321 L N 2.257 123.372 121.223 -0.180 0.000 2.362 321 L HA 0.480 4.949 4.340 0.215 0.000 0.275 321 L C -1.690 175.176 176.870 -0.006 0.000 0.998 321 L CA -0.860 53.734 54.840 -0.411 0.000 0.820 321 L CB 1.664 43.136 42.059 -0.978 0.000 1.270 321 L HN 0.232 nan 8.230 nan 0.000 0.415 322 L N 5.972 127.223 121.223 0.047 0.000 2.296 322 L HA 0.639 5.108 4.340 0.215 0.000 0.286 322 L C -1.545 175.429 176.870 0.173 0.000 1.023 322 L CA -0.058 54.905 54.840 0.204 0.000 0.812 322 L CB 1.128 43.352 42.059 0.274 0.000 1.223 322 L HN 0.582 nan 8.230 nan 0.000 0.421 323 L N 6.737 128.063 121.223 0.171 0.000 2.356 323 L HA 0.573 5.042 4.340 0.215 0.000 0.277 323 L C -0.782 176.179 176.870 0.151 0.000 0.996 323 L CA -0.473 54.454 54.840 0.145 0.000 0.822 323 L CB 1.824 43.946 42.059 0.105 0.000 1.256 323 L HN 0.561 nan 8.230 nan 0.000 0.413 324 I N 2.257 122.911 120.570 0.140 0.000 2.436 324 I HA 0.591 4.890 4.170 0.215 0.000 0.289 324 I C 0.010 176.158 176.117 0.051 0.000 1.010 324 I CA -0.052 61.325 61.300 0.128 0.000 1.098 324 I CB 2.252 40.362 38.000 0.183 0.000 1.266 324 I HN 0.580 nan 8.210 nan 0.000 0.434 325 T N 3.594 118.151 114.554 0.005 0.000 2.626 325 T HA 0.886 5.365 4.350 0.215 0.000 0.299 325 T C -1.661 172.960 174.700 -0.132 0.000 1.181 325 T CA -0.300 61.750 62.100 -0.083 0.000 1.053 325 T CB 1.806 70.599 68.868 -0.124 0.000 1.566 325 T HN 0.703 nan 8.240 nan 0.000 0.486 326 A N 0.183 122.863 122.820 -0.234 0.000 2.564 326 A HA 0.711 5.160 4.320 0.215 0.000 0.288 326 A C -0.483 176.863 177.584 -0.397 0.000 1.164 326 A CA 0.044 51.922 52.037 -0.264 0.000 0.712 326 A CB 1.270 20.124 19.000 -0.244 0.000 1.303 326 A HN 0.836 nan 8.150 nan 0.000 0.418 327 D N -1.512 118.671 120.400 -0.363 0.000 2.474 327 D HA 0.266 5.034 4.640 0.215 0.000 0.213 327 D C 0.224 176.579 176.300 0.092 0.000 1.120 327 D CA 1.125 54.991 54.000 -0.223 0.000 0.836 327 D CB -0.074 40.636 40.800 -0.149 0.000 1.019 327 D HN 0.858 nan 8.370 nan 0.000 0.507 328 H N -3.310 115.748 119.070 -0.020 0.000 2.826 328 H HA 0.515 5.203 4.556 0.220 0.000 0.258 328 H C -0.515 174.766 175.328 -0.077 0.000 1.454 328 H CA -0.990 55.050 56.048 -0.014 0.000 1.121 328 H CB 0.499 30.199 29.762 -0.104 0.000 1.776 328 H HN 0.035 nan 8.280 nan 0.000 0.525 329 G N -0.924 107.920 108.800 0.073 0.000 2.509 329 G HA2 0.450 4.539 3.960 0.215 0.000 0.328 329 G HA3 0.450 4.539 3.960 0.215 0.000 0.328 329 G C -0.896 174.085 174.900 0.135 0.000 1.194 329 G CA -0.650 44.457 45.100 0.011 0.000 0.967 329 G HN 0.751 nan 8.290 nan 0.000 0.488 330 N N 0.159 118.911 118.700 0.088 0.000 2.785 330 N HA 0.061 4.930 4.740 0.215 0.000 0.224 330 N C -1.411 174.176 175.510 0.127 0.000 1.448 330 N CA -0.571 52.558 53.050 0.133 0.000 0.748 330 N CB 0.935 39.510 38.487 0.147 0.000 1.385 330 N HN 0.427 nan 8.380 nan 0.000 0.538 331 D N 2.017 122.443 120.400 0.044 0.000 2.412 331 D HA 0.082 4.851 4.640 0.215 0.000 0.257 331 D C -1.383 174.999 176.300 0.136 0.000 1.217 331 D CA -1.351 52.682 54.000 0.055 0.000 0.897 331 D CB 1.334 42.164 40.800 0.049 0.000 1.132 331 D HN 0.324 nan 8.370 nan 0.000 0.493 332 P HA 0.018 nan 4.420 nan 0.000 0.242 332 P C 0.403 177.757 177.300 0.092 0.000 1.197 332 P CA 0.524 63.715 63.100 0.150 0.000 0.765 332 P CB 0.166 31.978 31.700 0.187 0.000 0.936 333 I N -0.212 120.408 120.570 0.084 0.000 2.934 333 I HA 0.312 4.611 4.170 0.215 0.000 0.312 333 I C -0.294 175.873 176.117 0.083 0.000 1.342 333 I CA -0.539 60.773 61.300 0.020 0.000 0.946 333 I CB -0.098 37.841 38.000 -0.101 0.000 2.034 333 I HN -0.084 nan 8.210 nan 0.000 0.604 334 H N 2.325 121.407 119.070 0.020 0.000 2.930 334 H HA 0.529 5.215 4.556 0.216 0.000 0.371 334 H C -2.817 172.532 175.328 0.035 0.000 1.169 334 H CA -1.587 54.484 56.048 0.038 0.000 1.157 334 H CB 2.577 32.384 29.762 0.074 0.000 1.789 334 H HN -0.000 nan 8.280 nan 0.000 0.547 335 P HA 0.238 nan 4.420 nan 0.000 0.268 335 P C 0.199 177.465 177.300 -0.055 0.000 1.208 335 P CA 1.448 64.421 63.100 -0.213 0.000 0.777 335 P CB 0.533 32.065 31.700 -0.281 0.000 0.875 336 G N 1.605 110.405 108.800 -0.000 0.000 2.642 336 G HA2 -0.170 3.918 3.960 0.215 0.000 0.231 336 G HA3 -0.170 3.918 3.960 0.215 0.000 0.231 336 G C 0.493 175.448 174.900 0.092 0.000 1.338 336 G CA 0.263 45.389 45.100 0.045 0.000 0.883 336 G HN 0.762 nan 8.290 nan 0.000 0.570 337 T N -2.298 112.318 114.554 0.104 0.000 3.058 337 T HA 0.417 4.896 4.350 0.215 0.000 0.278 337 T C 0.407 175.239 174.700 0.221 0.000 0.974 337 T CA 1.043 63.234 62.100 0.152 0.000 0.893 337 T CB 0.161 69.096 68.868 0.110 0.000 1.138 337 T HN 1.138 nan 8.240 nan 0.000 0.529 338 D N 0.810 121.295 120.400 0.141 0.000 2.506 338 D HA 0.183 4.952 4.640 0.215 0.000 0.272 338 D C -0.104 176.245 176.300 0.082 0.000 1.214 338 D CA -0.558 53.486 54.000 0.073 0.000 1.067 338 D CB 0.257 41.051 40.800 -0.011 0.000 1.117 338 D HN 0.452 nan 8.370 nan 0.000 0.578 339 H N -1.676 117.428 119.070 0.057 0.000 2.703 339 H HA 0.383 5.070 4.556 0.218 0.000 0.377 339 H C 0.077 175.383 175.328 -0.036 0.000 1.392 339 H CA -0.196 55.840 56.048 -0.020 0.000 1.458 339 H CB 0.673 30.352 29.762 -0.138 0.000 1.529 339 H HN 0.486 nan 8.280 nan 0.000 0.619 340 T N -0.854 113.746 114.554 0.077 0.000 2.863 340 T HA 0.353 4.832 4.350 0.215 0.000 0.285 340 T C -0.202 174.424 174.700 -0.123 0.000 1.009 340 T CA -1.260 60.777 62.100 -0.104 0.000 0.989 340 T CB 1.950 70.660 68.868 -0.263 0.000 1.004 340 T HN 0.405 nan 8.240 nan 0.000 0.455 341 R N 1.702 122.053 120.500 -0.248 0.000 2.272 341 R HA 0.396 4.865 4.340 0.215 0.000 0.334 341 R C -0.432 175.707 176.300 -0.267 0.000 1.117 341 R CA 0.126 55.986 56.100 -0.400 0.000 0.966 341 R CB -0.465 29.329 30.300 -0.842 0.000 1.049 341 R HN 0.800 nan 8.270 nan 0.000 0.477 342 E N 2.895 122.990 120.200 -0.175 0.000 2.393 342 E HA 0.206 4.685 4.350 0.215 0.000 0.273 342 E C -0.917 175.648 176.600 -0.058 0.000 0.918 342 E CA -1.115 55.214 56.400 -0.119 0.000 0.773 342 E CB 1.256 30.923 29.700 -0.055 0.000 1.275 342 E HN 0.352 nan 8.360 nan 0.000 0.451 343 Y N 0.286 120.591 120.300 0.007 0.000 2.511 343 Y HA 0.131 4.809 4.550 0.212 0.000 0.347 343 Y C 0.605 176.515 175.900 0.016 0.000 1.257 343 Y CA -0.188 57.941 58.100 0.049 0.000 1.469 343 Y CB 0.419 38.889 38.460 0.017 0.000 1.353 343 Y HN 0.183 nan 8.280 nan 0.000 0.617 344 V N 0.580 120.612 119.914 0.196 0.000 2.769 344 V HA 0.682 4.931 4.120 0.215 0.000 0.312 344 V C -2.762 173.315 176.094 -0.029 0.000 1.061 344 V CA -2.996 59.297 62.300 -0.012 0.000 0.931 344 V CB 1.736 33.428 31.823 -0.218 0.000 1.010 344 V HN 0.546 nan 8.190 nan 0.000 0.433 345 P HA 0.414 nan 4.420 nan 0.000 0.274 345 P C -1.109 176.155 177.300 -0.060 0.000 1.237 345 P CA -0.246 62.824 63.100 -0.050 0.000 0.793 345 P CB 1.518 33.188 31.700 -0.049 0.000 0.977 346 L N 2.741 123.940 121.223 -0.039 0.000 2.439 346 L HA 0.490 4.958 4.340 0.215 0.000 0.270 346 L C -1.509 175.361 176.870 -0.001 0.000 0.972 346 L CA -0.471 54.342 54.840 -0.046 0.000 0.836 346 L CB 1.147 43.138 42.059 -0.113 0.000 1.255 346 L HN 0.205 nan 8.230 nan 0.000 0.404 347 L N 4.978 126.227 121.223 0.043 0.000 2.362 347 L HA 0.931 5.400 4.340 0.215 0.000 0.275 347 L C -0.428 176.518 176.870 0.127 0.000 0.998 347 L CA -0.728 54.172 54.840 0.100 0.000 0.820 347 L CB 2.054 44.183 42.059 0.116 0.000 1.270 347 L HN 0.777 nan 8.230 nan 0.000 0.415 348 A N 3.074 125.993 122.820 0.166 0.000 2.375 348 A HA 0.656 5.105 4.320 0.215 0.000 0.291 348 A C -1.848 175.908 177.584 0.286 0.000 1.160 348 A CA -0.346 51.808 52.037 0.195 0.000 0.747 348 A CB 0.846 19.945 19.000 0.166 0.000 1.170 348 A HN 0.569 nan 8.150 nan 0.000 0.458 349 Y N 2.023 122.370 120.300 0.078 0.000 2.421 349 Y HA 0.685 5.359 4.550 0.207 0.000 0.339 349 Y C -0.482 175.427 175.900 0.014 0.000 0.996 349 Y CA -0.819 57.311 58.100 0.050 0.000 1.046 349 Y CB 2.078 40.533 38.460 -0.008 0.000 1.226 349 Y HN 0.675 nan 8.280 nan 0.000 0.445 350 S N 6.755 122.095 115.700 -0.601 0.000 2.538 350 S HA 0.498 5.097 4.470 0.215 0.000 0.288 350 S C -2.426 171.709 174.600 -0.775 0.000 1.108 350 S CA -1.854 55.965 58.200 -0.635 0.000 0.971 350 S CB 1.879 64.988 63.200 -0.151 0.000 1.041 350 S HN 0.519 nan 8.310 nan 0.000 0.483 351 P HA -0.088 nan 4.420 nan 0.000 0.221 351 P C 1.306 178.559 177.300 -0.078 0.000 1.145 351 P CA 1.086 64.030 63.100 -0.259 0.000 0.795 351 P CB -0.067 31.564 31.700 -0.115 0.000 0.775 352 S N -1.802 113.869 115.700 -0.049 0.000 2.507 352 S HA -0.036 4.563 4.470 0.215 0.000 0.235 352 S C 1.135 175.765 174.600 0.051 0.000 0.988 352 S CA 0.455 58.667 58.200 0.021 0.000 0.944 352 S CB -1.122 62.108 63.200 0.049 0.000 0.762 352 S HN 0.112 nan 8.310 nan 0.000 0.526 353 M N 2.216 121.856 119.600 0.066 0.000 3.442 353 M HA 0.241 4.850 4.480 0.215 0.000 0.232 353 M C 0.761 177.120 176.300 0.099 0.000 1.508 353 M CA -0.339 55.039 55.300 0.130 0.000 1.647 353 M CB 0.208 32.936 32.600 0.214 0.000 1.126 353 M HN -0.003 nan 8.290 nan 0.000 0.557 354 K N 0.881 121.321 120.400 0.068 0.000 2.209 354 K HA -0.122 4.326 4.320 0.215 0.000 0.204 354 K C 0.861 177.483 176.600 0.036 0.000 1.048 354 K CA 1.320 57.635 56.287 0.047 0.000 0.940 354 K CB 0.050 32.570 32.500 0.033 0.000 0.729 354 K HN 0.490 nan 8.250 nan 0.000 0.451 355 E N -0.300 119.921 120.200 0.034 0.000 2.465 355 E HA 0.211 4.690 4.350 0.215 0.000 0.195 355 E C 0.466 177.058 176.600 -0.014 0.000 1.028 355 E CA 0.267 56.673 56.400 0.010 0.000 0.899 355 E CB 0.427 30.134 29.700 0.011 0.000 1.032 355 E HN 0.357 nan 8.360 nan 0.000 0.468 356 G N -0.512 108.287 108.800 -0.002 0.000 2.741 356 G HA2 -0.055 4.034 3.960 0.215 0.000 0.222 356 G HA3 -0.055 4.034 3.960 0.215 0.000 0.222 356 G C 0.382 175.183 174.900 -0.164 0.000 1.364 356 G CA -0.697 44.377 45.100 -0.044 0.000 0.866 356 G HN 0.481 nan 8.290 nan 0.000 0.555 357 G N -1.838 106.784 108.800 -0.297 0.000 2.820 357 G HA2 0.745 4.834 3.960 0.215 0.000 0.291 357 G HA3 0.745 4.834 3.960 0.215 0.000 0.291 357 G C -0.645 173.876 174.900 -0.632 0.000 1.323 357 G CA 0.047 44.631 45.100 -0.860 0.000 1.055 357 G HN 0.748 nan 8.290 nan 0.000 0.520 358 Q N -0.825 118.427 119.800 -0.913 0.000 2.605 358 Q HA 0.306 4.775 4.340 0.215 0.000 0.296 358 Q C -1.094 174.525 176.000 -0.635 0.000 1.056 358 Q CA -0.816 54.751 55.803 -0.394 0.000 0.778 358 Q CB 2.128 30.753 28.738 -0.189 0.000 1.497 358 Q HN 0.733 nan 8.270 nan 0.000 0.443 359 E N 1.109 120.894 120.200 -0.691 0.000 2.344 359 E HA 0.233 4.712 4.350 0.215 0.000 0.270 359 E C -0.702 175.669 176.600 -0.381 0.000 1.021 359 E CA -0.050 55.805 56.400 -0.907 0.000 0.887 359 E CB 0.508 29.945 29.700 -0.439 0.000 0.997 359 E HN 0.294 nan 8.360 nan 0.000 0.429 360 L N 5.906 126.917 121.223 -0.354 0.000 2.379 360 L HA 0.400 4.868 4.340 0.215 0.000 0.269 360 L C -2.001 174.778 176.870 -0.151 0.000 1.084 360 L CA -2.340 52.385 54.840 -0.191 0.000 0.802 360 L CB 0.787 42.693 42.059 -0.254 0.000 1.175 360 L HN 0.496 nan 8.230 nan 0.000 0.448 361 P HA 0.000 nan 4.420 nan 0.000 0.267 361 P C -0.429 176.840 177.300 -0.052 0.000 1.200 361 P CA -0.304 62.765 63.100 -0.051 0.000 0.772 361 P CB 0.464 32.157 31.700 -0.013 0.000 0.855 362 L N 3.641 124.843 121.223 -0.035 0.000 2.578 362 L HA -0.012 4.457 4.340 0.215 0.000 0.279 362 L C 0.492 177.384 176.870 0.036 0.000 1.227 362 L CA 0.013 54.843 54.840 -0.017 0.000 0.900 362 L CB 0.199 42.251 42.059 -0.012 0.000 1.144 362 L HN 0.237 nan 8.230 nan 0.000 0.496 363 R N 5.006 125.541 120.500 0.058 0.000 2.296 363 R HA 0.079 4.548 4.340 0.215 0.000 0.323 363 R C 0.490 176.894 176.300 0.172 0.000 1.067 363 R CA 0.093 56.267 56.100 0.123 0.000 0.946 363 R CB 0.435 30.823 30.300 0.147 0.000 0.991 363 R HN 0.717 nan 8.270 nan 0.000 0.448 364 Q N 0.142 120.032 119.800 0.150 0.000 2.435 364 Q HA -0.004 4.465 4.340 0.215 0.000 0.207 364 Q C 0.318 176.398 176.000 0.133 0.000 0.956 364 Q CA 0.830 56.715 55.803 0.136 0.000 0.917 364 Q CB 0.558 29.357 28.738 0.102 0.000 0.997 364 Q HN 0.543 nan 8.270 nan 0.000 0.497 365 T N -1.963 112.696 114.554 0.175 0.000 2.916 365 T HA 0.259 4.737 4.350 0.215 0.000 0.305 365 T C -0.123 174.776 174.700 0.331 0.000 1.119 365 T CA -0.762 61.442 62.100 0.173 0.000 1.008 365 T CB 0.715 69.677 68.868 0.156 0.000 1.129 365 T HN -0.074 nan 8.240 nan 0.000 0.480 366 F N 2.170 122.200 119.950 0.134 0.000 2.307 366 F HA 0.102 4.763 4.527 0.224 0.000 0.301 366 F C 2.677 178.572 175.800 0.157 0.000 1.076 366 F CA 0.952 59.032 58.000 0.132 0.000 1.383 366 F CB -1.419 37.650 39.000 0.114 0.000 1.055 366 F HN 0.765 nan 8.300 nan 0.000 0.526 367 A N -0.092 122.941 122.820 0.356 0.000 2.178 367 A HA -0.176 4.273 4.320 0.215 0.000 0.218 367 A C 1.857 179.577 177.584 0.227 0.000 1.157 367 A CA 1.516 53.725 52.037 0.287 0.000 0.689 367 A CB -0.732 18.450 19.000 0.304 0.000 0.787 367 A HN 0.212 nan 8.150 nan 0.000 0.465 368 D N 0.202 120.750 120.400 0.247 0.000 2.182 368 D HA -0.143 4.626 4.640 0.215 0.000 0.201 368 D C 1.694 178.097 176.300 0.172 0.000 0.986 368 D CA 0.987 55.127 54.000 0.232 0.000 0.847 368 D CB -0.266 40.735 40.800 0.336 0.000 0.942 368 D HN 0.579 nan 8.370 nan 0.000 0.467 369 I N 0.625 121.324 120.570 0.214 0.000 2.113 369 I HA -0.171 4.128 4.170 0.215 0.000 0.238 369 I C 2.591 178.694 176.117 -0.025 0.000 1.070 369 I CA 1.377 62.740 61.300 0.105 0.000 1.332 369 I CB -0.687 37.379 38.000 0.110 0.000 1.044 369 I HN 0.044 nan 8.210 nan 0.000 0.402 370 G N 0.650 109.476 108.800 0.043 0.000 2.476 370 G HA2 -0.317 3.772 3.960 0.215 0.000 0.218 370 G HA3 -0.317 3.772 3.960 0.215 0.000 0.218 370 G C 1.840 176.733 174.900 -0.012 0.000 1.164 370 G CA 1.038 46.156 45.100 0.029 0.000 0.768 370 G HN 0.516 nan 8.290 nan 0.000 0.560 371 A N 0.021 122.838 122.820 -0.006 0.000 1.933 371 A HA -0.018 4.430 4.320 0.215 0.000 0.218 371 A C 2.544 180.042 177.584 -0.142 0.000 1.175 371 A CA 2.491 54.502 52.037 -0.044 0.000 0.628 371 A CB -0.903 18.092 19.000 -0.009 0.000 0.814 371 A HN 0.322 nan 8.150 nan 0.000 0.444 372 T N -0.397 113.993 114.554 -0.274 0.000 2.737 372 T HA -0.105 4.373 4.350 0.215 0.000 0.265 372 T C 1.894 176.416 174.700 -0.297 0.000 1.038 372 T CA 1.542 63.373 62.100 -0.449 0.000 1.144 372 T CB -0.433 67.836 68.868 -0.999 0.000 0.866 372 T HN 0.157 nan 8.240 nan 0.000 0.434 373 V N 1.784 121.572 119.914 -0.209 0.000 2.295 373 V HA -0.181 4.067 4.120 0.215 0.000 0.246 373 V C 2.909 178.978 176.094 -0.042 0.000 1.049 373 V CA 1.763 64.000 62.300 -0.105 0.000 1.024 373 V CB -1.243 30.552 31.823 -0.046 0.000 0.648 373 V HN 0.532 nan 8.190 nan 0.000 0.447 374 A N -0.588 122.207 122.820 -0.041 0.000 1.902 374 A HA -0.290 4.159 4.320 0.215 0.000 0.217 374 A C 2.305 179.862 177.584 -0.044 0.000 1.181 374 A CA 2.097 54.126 52.037 -0.013 0.000 0.623 374 A CB -0.545 18.450 19.000 -0.008 0.000 0.818 374 A HN 0.622 nan 8.150 nan 0.000 0.443 375 E N -0.159 119.984 120.200 -0.095 0.000 2.077 375 E HA -0.222 4.257 4.350 0.215 0.000 0.193 375 E C 2.068 178.577 176.600 -0.153 0.000 0.989 375 E CA 1.053 57.389 56.400 -0.107 0.000 0.800 375 E CB -0.262 29.363 29.700 -0.124 0.000 0.746 375 E HN 0.713 nan 8.360 nan 0.000 0.452 376 N N -0.183 118.370 118.700 -0.244 0.000 2.069 376 N HA -0.183 4.686 4.740 0.215 0.000 0.191 376 N C 1.267 176.490 175.510 -0.478 0.000 1.031 376 N CA 1.204 54.007 53.050 -0.412 0.000 0.852 376 N CB -0.145 37.980 38.487 -0.602 0.000 1.018 376 N HN 0.166 nan 8.380 nan 0.000 0.423 377 F N -0.196 119.644 119.950 -0.184 0.000 2.727 377 F HA 0.287 4.940 4.527 0.210 0.000 0.302 377 F C 1.613 177.358 175.800 -0.092 0.000 1.097 377 F CA 0.170 58.001 58.000 -0.282 0.000 1.330 377 F CB 0.356 38.919 39.000 -0.728 0.000 1.084 377 F HN 0.110 nan 8.300 nan 0.000 0.578 378 G N 1.595 110.433 108.800 0.064 0.000 2.198 378 G HA2 -0.249 3.840 3.960 0.215 0.000 0.260 378 G HA3 -0.249 3.840 3.960 0.215 0.000 0.260 378 G C 0.102 175.063 174.900 0.103 0.000 1.025 378 G CA 0.281 45.426 45.100 0.075 0.000 0.769 378 G HN 0.404 nan 8.290 nan 0.000 0.507 379 V N -3.581 116.390 119.914 0.094 0.000 3.234 379 V HA 0.761 5.010 4.120 0.215 0.000 0.317 379 V C 1.084 177.206 176.094 0.046 0.000 1.081 379 V CA -1.107 61.246 62.300 0.089 0.000 1.037 379 V CB 1.389 33.273 31.823 0.103 0.000 1.148 379 V HN 0.432 nan 8.190 nan 0.000 0.453 380 K N 2.019 122.443 120.400 0.039 0.000 2.491 380 K HA 0.075 4.524 4.320 0.215 0.000 0.279 380 K C 0.053 176.660 176.600 0.013 0.000 1.026 380 K CA -0.145 56.155 56.287 0.021 0.000 1.070 380 K CB 0.178 32.690 32.500 0.019 0.000 0.887 380 K HN 0.657 nan 8.250 nan 0.000 0.481 381 M N 6.065 125.665 119.600 0.000 0.000 2.245 381 M HA 0.134 4.743 4.480 0.215 0.000 0.344 381 M C -1.760 174.536 176.300 -0.007 0.000 1.170 381 M CA -2.079 53.217 55.300 -0.006 0.000 1.135 381 M CB -0.053 32.536 32.600 -0.017 0.000 1.574 381 M HN 0.566 nan 8.290 nan 0.000 0.452 382 P HA 0.085 nan 4.420 nan 0.000 0.272 382 P C 0.278 177.539 177.300 -0.065 0.000 1.230 382 P CA -0.065 63.045 63.100 0.018 0.000 0.788 382 P CB 0.696 32.451 31.700 0.092 0.000 0.949 383 E N 0.714 120.801 120.200 -0.188 0.000 2.153 383 E HA -0.134 4.345 4.350 0.215 0.000 0.194 383 E C -0.224 175.999 176.600 -0.630 0.000 0.988 383 E CA 1.436 57.533 56.400 -0.505 0.000 0.811 383 E CB -0.374 28.832 29.700 -0.824 0.000 0.746 383 E HN 0.483 nan 8.360 nan 0.000 0.466 384 Y N -1.262 119.088 120.300 0.084 0.000 2.509 384 Y HA 0.638 5.317 4.550 0.214 0.000 0.341 384 Y C 0.519 176.474 175.900 0.091 0.000 1.038 384 Y CA -0.762 57.391 58.100 0.088 0.000 1.089 384 Y CB 2.263 40.802 38.460 0.130 0.000 1.241 384 Y HN 0.050 nan 8.280 nan 0.000 0.468 385 G N 0.512 109.452 108.800 0.233 0.000 2.697 385 G HA2 0.134 4.222 3.960 0.215 0.000 0.686 385 G HA3 0.134 4.222 3.960 0.215 0.000 0.686 385 G C -1.176 173.789 174.900 0.109 0.000 1.179 385 G CA -1.053 44.153 45.100 0.177 0.000 0.765 385 G HN 0.636 nan 8.290 nan 0.000 0.649 386 T N 1.232 115.852 114.554 0.110 0.000 2.809 386 T HA 0.632 5.111 4.350 0.215 0.000 0.284 386 T C 0.540 175.280 174.700 0.067 0.000 0.992 386 T CA 0.243 62.390 62.100 0.077 0.000 0.957 386 T CB 1.594 70.515 68.868 0.088 0.000 0.942 386 T HN 1.285 nan 8.240 nan 0.000 0.439 387 S N 2.007 117.701 115.700 -0.009 0.000 2.562 387 S HA 0.230 4.829 4.470 0.215 0.000 0.281 387 S C 0.617 175.190 174.600 -0.045 0.000 1.333 387 S CA -0.540 57.586 58.200 -0.122 0.000 1.052 387 S CB -0.129 62.982 63.200 -0.149 0.000 0.884 387 S HN 0.632 nan 8.310 nan 0.000 0.506 388 F N 3.581 123.511 119.950 -0.034 0.000 2.647 388 F HA 0.389 5.043 4.527 0.210 0.000 0.300 388 F C 1.015 176.759 175.800 -0.093 0.000 1.106 388 F CA -0.702 57.261 58.000 -0.062 0.000 1.313 388 F CB -0.277 38.684 39.000 -0.066 0.000 1.007 388 F HN 0.493 nan 8.300 nan 0.000 0.536 389 L N 1.844 122.939 121.223 -0.213 0.000 2.013 389 L HA -0.209 4.260 4.340 0.215 0.000 0.212 389 L C 1.877 178.706 176.870 -0.069 0.000 1.073 389 L CA 2.092 56.843 54.840 -0.147 0.000 0.753 389 L CB -0.994 40.958 42.059 -0.179 0.000 0.890 389 L HN 0.334 nan 8.230 nan 0.000 0.432 390 N N -1.081 117.582 118.700 -0.063 0.000 2.381 390 N HA -0.176 4.693 4.740 0.215 0.000 0.182 390 N C 1.367 176.845 175.510 -0.054 0.000 1.025 390 N CA 0.808 53.825 53.050 -0.055 0.000 0.888 390 N CB 0.042 38.503 38.487 -0.042 0.000 0.965 390 N HN 0.458 nan 8.380 nan 0.000 0.438 391 E N 0.456 120.625 120.200 -0.052 0.000 2.274 391 E HA 0.046 4.524 4.350 0.215 0.000 0.194 391 E C 0.451 176.852 176.600 -0.333 0.000 0.996 391 E CA 0.395 56.731 56.400 -0.107 0.000 0.840 391 E CB 0.256 29.917 29.700 -0.064 0.000 0.772 391 E HN 0.285 nan 8.360 nan 0.000 0.491 392 L N 0.000 121.019 121.223 -0.340 0.000 2.949 392 L HA 0.000 4.469 4.340 0.215 0.000 0.249 392 L CA 0.000 54.528 54.840 -0.520 0.000 0.813 392 L CB 0.000 41.948 42.059 -0.186 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502