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 1gek_1_A DATA FIRST_RESID 9 DATA SEQUENCE ANLAPLPPHV PEHLVFDFDM YNPSNLSAGV QEAWAVLQES NVPDLVWTRC DATA SEQUENCE NGGHWIATRG QLIREAYEDY RHFSSECPFI PREAGEAYDF IPTSMDPPEQ DATA SEQUENCE RQFRALANQV VGMPVVDKLE NRIQELACSL IESLRPQGQC NFTEDYAEPF DATA SEQUENCE PIRIFMLLAG LPEEDIPHLK YLTDQMTRPD GSMTFAEAKE ALYDYLIPII DATA SEQUENCE EQRRQKPGTD AISIVANGQV NGRPITSDEA KRMCGLLLVG GLDTVVNFLS DATA SEQUENCE FSMEFLAKSP EHRQELIERP ERIPAACEEL LRRFSLVADG RILTSDYEFH DATA SEQUENCE GVQLKKGDQI LLPQMLSGLD ERENACPMHV DFSRQKVSHT TFGHGSHLCL DATA SEQUENCE GQHLARREII VTLKEWLTRI PDFSIAPGAQ IQHKSGIVSG VQALPLVWDP DATA SEQUENCE ATTKAV 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.558 177.584 -0.043 0.000 1.274 9 A CA 0.000 52.006 52.037 -0.052 0.000 0.836 9 A CB 0.000 18.956 19.000 -0.073 0.000 0.831 10 N N 1.437 120.118 118.700 -0.033 0.000 2.469 10 N HA 0.384 5.201 4.740 0.129 0.000 0.239 10 N C -1.009 174.486 175.510 -0.025 0.000 1.053 10 N CA -0.386 52.649 53.050 -0.024 0.000 0.937 10 N CB 0.999 39.478 38.487 -0.014 0.000 1.163 10 N HN 0.397 nan 8.380 nan 0.000 0.509 11 L N 1.754 122.961 121.223 -0.027 0.000 2.395 11 L HA 0.389 4.807 4.340 0.129 0.000 0.269 11 L C 0.783 177.653 176.870 0.000 0.000 1.133 11 L CA -0.762 54.063 54.840 -0.024 0.000 0.812 11 L CB 0.703 42.745 42.059 -0.029 0.000 1.125 11 L HN 0.478 nan 8.230 nan 0.000 0.452 12 A N 4.175 127.006 122.820 0.018 0.000 2.304 12 A HA 0.703 5.100 4.320 0.129 0.000 0.301 12 A C -2.274 175.346 177.584 0.060 0.000 1.132 12 A CA -1.414 50.650 52.037 0.045 0.000 0.819 12 A CB -0.170 18.870 19.000 0.068 0.000 1.094 12 A HN 0.599 nan 8.150 nan 0.000 0.492 13 P HA 0.064 nan 4.420 nan 0.000 0.260 13 P C -0.315 176.989 177.300 0.008 0.000 1.185 13 P CA -0.010 63.101 63.100 0.019 0.000 0.763 13 P CB 0.066 31.772 31.700 0.011 0.000 0.776 14 L N 7.713 128.913 121.223 -0.038 0.000 2.700 14 L HA 0.093 4.510 4.340 0.129 0.000 0.272 14 L C -1.925 174.799 176.870 -0.244 0.000 1.176 14 L CA -1.019 53.724 54.840 -0.160 0.000 0.961 14 L CB -0.815 41.137 42.059 -0.178 0.000 1.249 14 L HN 0.322 nan 8.230 nan 0.000 0.487 15 P HA 0.091 nan 4.420 nan 0.000 0.267 15 P C -2.092 175.018 177.300 -0.317 0.000 1.200 15 P CA -0.941 61.969 63.100 -0.317 0.000 0.772 15 P CB 0.072 31.505 31.700 -0.446 0.000 0.855 16 P HA -0.212 nan 4.420 nan 0.000 0.216 16 P C 1.178 178.427 177.300 -0.085 0.000 1.153 16 P CA 1.578 64.632 63.100 -0.076 0.000 0.858 16 P CB -0.479 31.223 31.700 0.002 0.000 0.789 17 H N -1.824 117.169 119.070 -0.128 0.000 2.547 17 H HA 0.126 4.760 4.556 0.129 0.000 0.266 17 H C -0.176 175.091 175.328 -0.102 0.000 0.988 17 H CA 0.200 56.199 56.048 -0.081 0.000 1.147 17 H CB -0.718 29.030 29.762 -0.023 0.000 1.365 17 H HN -0.056 nan 8.280 nan 0.000 0.589 18 V N 4.174 123.668 119.914 -0.701 0.000 2.364 18 V HA 0.226 4.423 4.120 0.129 0.000 0.272 18 V C -2.067 173.807 176.094 -0.367 0.000 1.036 18 V CA -1.744 60.164 62.300 -0.653 0.000 0.880 18 V CB 1.414 32.477 31.823 -1.266 0.000 0.991 18 V HN 0.210 nan 8.190 nan 0.000 0.460 19 P HA 0.168 nan 4.420 nan 0.000 0.271 19 P C 0.809 177.947 177.300 -0.269 0.000 1.216 19 P CA -0.134 62.825 63.100 -0.235 0.000 0.771 19 P CB 0.720 32.194 31.700 -0.377 0.000 0.864 20 E N 1.662 121.780 120.200 -0.137 0.000 2.204 20 E HA -0.218 4.209 4.350 0.129 0.000 0.195 20 E C 1.485 178.071 176.600 -0.023 0.000 0.990 20 E CA 1.119 57.477 56.400 -0.070 0.000 0.821 20 E CB -0.272 29.425 29.700 -0.005 0.000 0.750 20 E HN 0.703 nan 8.360 nan 0.000 0.477 21 H N -0.244 118.845 119.070 0.031 0.000 2.555 21 H HA 0.074 4.707 4.556 0.129 0.000 0.269 21 H C 1.711 177.092 175.328 0.088 0.000 0.988 21 H CA 0.348 56.428 56.048 0.053 0.000 1.178 21 H CB -0.111 29.674 29.762 0.039 0.000 1.373 21 H HN 0.152 nan 8.280 nan 0.000 0.588 22 L N 1.256 122.340 121.223 -0.232 0.000 2.585 22 L HA 0.162 4.579 4.340 0.129 0.000 0.226 22 L C 0.360 177.305 176.870 0.126 0.000 1.113 22 L CA -0.203 54.630 54.840 -0.012 0.000 0.876 22 L CB 0.594 42.659 42.059 0.010 0.000 1.072 22 L HN -0.005 nan 8.230 nan 0.000 0.468 23 V N 0.648 120.615 119.914 0.088 0.000 2.637 23 V HA 0.028 4.225 4.120 0.129 0.000 0.296 23 V C -0.573 175.657 176.094 0.226 0.000 1.046 23 V CA 0.329 62.717 62.300 0.146 0.000 1.066 23 V CB 1.021 32.886 31.823 0.070 0.000 0.968 23 V HN 0.104 nan 8.190 nan 0.000 0.483 24 F N 3.539 123.506 119.950 0.028 0.000 3.152 24 F HA 0.332 4.937 4.527 0.129 0.000 0.367 24 F C -0.139 175.653 175.800 -0.014 0.000 1.272 24 F CA -0.772 57.236 58.000 0.013 0.000 1.172 24 F CB 1.192 40.201 39.000 0.015 0.000 1.552 24 F HN 0.534 nan 8.300 nan 0.000 0.616 25 D N 6.327 126.558 120.400 -0.281 0.000 2.545 25 D HA 0.004 4.722 4.640 0.129 0.000 0.227 25 D C -0.393 175.771 176.300 -0.227 0.000 1.150 25 D CA 0.494 54.362 54.000 -0.220 0.000 1.046 25 D CB 0.006 40.687 40.800 -0.199 0.000 1.098 25 D HN 0.250 nan 8.370 nan 0.000 0.502 26 F N 1.838 121.655 119.950 -0.221 0.000 2.404 26 F HA 0.173 4.777 4.527 0.128 0.000 0.345 26 F C 0.195 175.865 175.800 -0.216 0.000 1.110 26 F CA -0.928 56.964 58.000 -0.180 0.000 1.130 26 F CB 1.107 40.084 39.000 -0.038 0.000 1.129 26 F HN -0.107 nan 8.300 nan 0.000 0.500 27 D N 6.815 126.728 120.400 -0.812 0.000 2.427 27 D HA 0.133 4.851 4.640 0.129 0.000 0.226 27 D C 0.887 176.727 176.300 -0.767 0.000 1.076 27 D CA -0.484 53.201 54.000 -0.525 0.000 0.849 27 D CB 0.972 41.572 40.800 -0.333 0.000 1.052 27 D HN 0.704 nan 8.370 nan 0.000 0.515 28 M N 1.974 121.286 119.600 -0.480 0.000 2.446 28 M HA -0.101 4.457 4.480 0.129 0.000 0.263 28 M C 0.196 176.294 176.300 -0.336 0.000 1.066 28 M CA 1.280 56.314 55.300 -0.443 0.000 1.087 28 M CB -0.199 32.280 32.600 -0.202 0.000 1.406 28 M HN 0.213 nan 8.290 nan 0.000 0.459 29 Y N 0.734 121.000 120.300 -0.058 0.000 2.500 29 Y HA 0.279 4.906 4.550 0.129 0.000 0.270 29 Y C 0.599 176.482 175.900 -0.029 0.000 1.134 29 Y CA 0.044 58.149 58.100 0.009 0.000 1.293 29 Y CB 0.339 38.803 38.460 0.007 0.000 1.063 29 Y HN 0.488 nan 8.280 nan 0.000 0.534 30 N N 0.473 119.151 118.700 -0.037 0.000 2.785 30 N HA 0.149 4.967 4.740 0.129 0.000 0.224 30 N C -3.297 172.070 175.510 -0.238 0.000 1.448 30 N CA -1.247 51.760 53.050 -0.072 0.000 0.748 30 N CB 0.910 39.379 38.487 -0.030 0.000 1.385 30 N HN -0.204 nan 8.380 nan 0.000 0.538 31 P HA 0.126 nan 4.420 nan 0.000 0.268 31 P C 0.723 177.889 177.300 -0.224 0.000 1.204 31 P CA -0.051 62.755 63.100 -0.492 0.000 0.768 31 P CB 1.108 32.551 31.700 -0.428 0.000 0.842 32 S N 1.633 117.202 115.700 -0.218 0.000 2.380 32 S HA -0.168 4.379 4.470 0.129 0.000 0.229 32 S C 1.019 175.598 174.600 -0.034 0.000 1.043 32 S CA 1.449 59.586 58.200 -0.104 0.000 1.038 32 S CB -0.602 62.547 63.200 -0.086 0.000 0.872 32 S HN 0.584 nan 8.310 nan 0.000 0.456 33 N N 1.185 119.890 118.700 0.007 0.000 2.453 33 N HA 0.199 5.017 4.740 0.129 0.000 0.270 33 N C 0.592 176.140 175.510 0.064 0.000 1.195 33 N CA -0.120 52.954 53.050 0.041 0.000 0.902 33 N CB 0.692 39.217 38.487 0.062 0.000 1.186 33 N HN 0.153 nan 8.380 nan 0.000 0.510 34 L N 1.558 122.813 121.223 0.055 0.000 2.187 34 L HA -0.158 4.259 4.340 0.129 0.000 0.213 34 L C 2.266 179.175 176.870 0.065 0.000 1.100 34 L CA 1.590 56.487 54.840 0.094 0.000 0.765 34 L CB -0.722 41.388 42.059 0.085 0.000 0.904 34 L HN 0.226 nan 8.230 nan 0.000 0.437 35 S N -1.472 114.247 115.700 0.032 0.000 2.474 35 S HA -0.014 4.534 4.470 0.129 0.000 0.235 35 S C 1.837 176.432 174.600 -0.008 0.000 0.997 35 S CA 0.596 58.798 58.200 0.003 0.000 0.949 35 S CB -0.572 62.631 63.200 0.005 0.000 0.766 35 S HN 0.439 nan 8.310 nan 0.000 0.517 36 A N 0.831 123.666 122.820 0.024 0.000 2.238 36 A HA 0.621 5.019 4.320 0.129 0.000 0.210 36 A C 1.150 178.762 177.584 0.047 0.000 1.179 36 A CA 0.267 52.325 52.037 0.035 0.000 0.827 36 A CB -0.581 18.454 19.000 0.059 0.000 0.856 36 A HN 1.540 nan 8.150 nan 0.000 0.488 37 G N -2.273 106.552 108.800 0.042 0.000 2.592 37 G HA2 0.109 4.146 3.960 0.129 0.000 0.685 37 G HA3 0.109 4.146 3.960 0.129 0.000 0.685 37 G C 0.400 175.509 174.900 0.348 0.000 1.278 37 G CA -0.194 44.987 45.100 0.135 0.000 0.822 37 G HN 0.797 nan 8.290 nan 0.000 0.652 38 V N 1.098 121.391 119.914 0.632 0.000 2.358 38 V HA -0.140 4.058 4.120 0.129 0.000 0.246 38 V C 2.688 179.009 176.094 0.379 0.000 1.047 38 V CA 3.348 65.934 62.300 0.477 0.000 1.035 38 V CB -0.327 31.756 31.823 0.435 0.000 0.658 38 V HN 0.798 nan 8.190 nan 0.000 0.452 39 Q N -0.079 119.820 119.800 0.164 0.000 2.046 39 Q HA -0.208 4.210 4.340 0.129 0.000 0.200 39 Q C 2.112 178.206 176.000 0.156 0.000 0.975 39 Q CA 2.193 58.025 55.803 0.048 0.000 0.836 39 Q CB -0.309 28.360 28.738 -0.115 0.000 0.896 39 Q HN 0.688 nan 8.270 nan 0.000 0.428 40 E N 0.293 120.588 120.200 0.158 0.000 2.058 40 E HA -0.198 4.229 4.350 0.129 0.000 0.194 40 E C 1.844 178.559 176.600 0.191 0.000 0.997 40 E CA 1.396 57.880 56.400 0.140 0.000 0.801 40 E CB -0.388 29.386 29.700 0.123 0.000 0.746 40 E HN 0.416 nan 8.360 nan 0.000 0.450 41 A N -0.213 122.762 122.820 0.257 0.000 1.933 41 A HA -0.179 4.218 4.320 0.129 0.000 0.218 41 A C 1.786 179.586 177.584 0.360 0.000 1.175 41 A CA 1.405 53.605 52.037 0.270 0.000 0.628 41 A CB -0.932 18.220 19.000 0.253 0.000 0.814 41 A HN 0.384 nan 8.150 nan 0.000 0.444 42 W N -0.539 120.885 121.300 0.207 0.000 2.518 42 W HA 0.195 4.936 4.660 0.135 0.000 0.273 42 W C 2.578 179.065 176.519 -0.053 0.000 1.247 42 W CA 0.855 58.271 57.345 0.117 0.000 1.288 42 W CB -0.189 29.299 29.460 0.045 0.000 1.107 42 W HN 0.351 nan 8.180 nan 0.000 0.586 43 A N 0.379 123.317 122.820 0.197 0.000 2.121 43 A HA -0.102 4.295 4.320 0.129 0.000 0.218 43 A C 1.975 179.573 177.584 0.023 0.000 1.154 43 A CA 1.691 53.767 52.037 0.066 0.000 0.679 43 A CB -1.176 17.852 19.000 0.046 0.000 0.795 43 A HN 0.250 nan 8.150 nan 0.000 0.458 44 V N -2.462 117.493 119.914 0.068 0.000 2.759 44 V HA -0.120 4.078 4.120 0.129 0.000 0.256 44 V C 1.925 177.983 176.094 -0.059 0.000 1.080 44 V CA 1.729 64.068 62.300 0.064 0.000 1.101 44 V CB -0.866 31.065 31.823 0.180 0.000 0.698 44 V HN 0.439 nan 8.190 nan 0.000 0.477 45 L N -0.194 120.923 121.223 -0.177 0.000 2.549 45 L HA 0.003 4.420 4.340 0.129 0.000 0.229 45 L C 2.391 179.069 176.870 -0.321 0.000 1.158 45 L CA 1.150 55.741 54.840 -0.415 0.000 0.842 45 L CB -0.305 41.447 42.059 -0.513 0.000 0.952 45 L HN 0.451 nan 8.230 nan 0.000 0.452 46 Q N -0.795 118.894 119.800 -0.186 0.000 2.198 46 Q HA 0.131 4.549 4.340 0.129 0.000 0.209 46 Q C -0.029 175.904 176.000 -0.111 0.000 0.848 46 Q CA -0.178 55.540 55.803 -0.142 0.000 0.974 46 Q CB 0.708 29.388 28.738 -0.096 0.000 1.115 46 Q HN 0.442 nan 8.270 nan 0.000 0.494 47 E N 0.545 120.677 120.200 -0.114 0.000 2.392 47 E HA -0.002 4.426 4.350 0.129 0.000 0.256 47 E C 0.928 177.482 176.600 -0.076 0.000 1.145 47 E CA 0.235 56.594 56.400 -0.068 0.000 0.929 47 E CB 0.788 30.470 29.700 -0.030 0.000 0.998 47 E HN 0.164 nan 8.360 nan 0.000 0.442 48 S N 1.079 116.752 115.700 -0.044 0.000 2.399 48 S HA -0.252 4.296 4.470 0.129 0.000 0.231 48 S C 1.300 175.879 174.600 -0.034 0.000 1.022 48 S CA 1.672 59.849 58.200 -0.039 0.000 0.983 48 S CB -0.610 62.577 63.200 -0.022 0.000 0.803 48 S HN 0.674 nan 8.310 nan 0.000 0.480 49 N N 0.708 119.395 118.700 -0.021 0.000 2.521 49 N HA 0.069 4.886 4.740 0.129 0.000 0.188 49 N C -0.289 175.207 175.510 -0.023 0.000 1.146 49 N CA 0.181 53.234 53.050 0.006 0.000 0.893 49 N CB -0.059 38.459 38.487 0.052 0.000 0.975 49 N HN 0.281 nan 8.380 nan 0.000 0.451 50 V N 1.516 121.356 119.914 -0.123 0.000 2.370 50 V HA 0.367 4.565 4.120 0.129 0.000 0.283 50 V C -1.961 174.036 176.094 -0.161 0.000 1.023 50 V CA -1.959 60.192 62.300 -0.248 0.000 0.857 50 V CB 1.095 32.572 31.823 -0.576 0.000 0.985 50 V HN 0.057 nan 8.190 nan 0.000 0.443 51 P HA 0.105 nan 4.420 nan 0.000 0.271 51 P C 0.329 177.580 177.300 -0.082 0.000 1.238 51 P CA -0.144 62.934 63.100 -0.036 0.000 0.794 51 P CB 0.699 32.426 31.700 0.046 0.000 0.959 52 D N -0.683 119.672 120.400 -0.073 0.000 2.224 52 D HA -0.014 4.704 4.640 0.129 0.000 0.205 52 D C 0.330 176.577 176.300 -0.088 0.000 0.965 52 D CA 1.290 55.223 54.000 -0.111 0.000 0.852 52 D CB -0.105 40.605 40.800 -0.150 0.000 0.947 52 D HN 0.059 nan 8.370 nan 0.000 0.494 53 L N 0.931 122.140 121.223 -0.024 0.000 2.415 53 L HA 0.326 4.743 4.340 0.129 0.000 0.268 53 L C -0.632 176.360 176.870 0.204 0.000 0.984 53 L CA -0.944 53.935 54.840 0.064 0.000 0.853 53 L CB 1.450 43.525 42.059 0.026 0.000 1.215 53 L HN -0.172 nan 8.230 nan 0.000 0.419 54 V N 1.705 121.767 119.914 0.246 0.000 3.177 54 V HA 0.700 4.898 4.120 0.129 0.000 0.319 54 V C -1.135 175.235 176.094 0.461 0.000 1.125 54 V CA -0.767 61.725 62.300 0.320 0.000 1.029 54 V CB 2.035 33.951 31.823 0.155 0.000 1.119 54 V HN 0.904 nan 8.190 nan 0.000 0.452 55 W N 1.413 122.737 121.300 0.040 0.000 2.600 55 W HA 0.635 5.373 4.660 0.130 0.000 0.325 55 W C -1.048 175.326 176.519 -0.243 0.000 1.034 55 W CA -0.279 56.879 57.345 -0.312 0.000 1.226 55 W CB 1.844 30.847 29.460 -0.762 0.000 1.379 55 W HN 0.855 nan 8.180 nan 0.000 0.466 56 T N 5.148 119.191 114.554 -0.851 0.000 2.859 56 T HA 0.388 4.816 4.350 0.129 0.000 0.281 56 T C 0.952 175.175 174.700 -0.795 0.000 1.005 56 T CA -0.359 61.380 62.100 -0.600 0.000 1.025 56 T CB 1.272 69.819 68.868 -0.535 0.000 0.977 56 T HN 0.636 nan 8.240 nan 0.000 0.458 57 R N 1.752 122.076 120.500 -0.293 0.000 2.280 57 R HA 0.198 4.616 4.340 0.129 0.000 0.195 57 R C 0.704 176.920 176.300 -0.141 0.000 0.935 57 R CA -0.122 55.911 56.100 -0.111 0.000 1.033 57 R CB -0.145 30.176 30.300 0.035 0.000 0.964 57 R HN 0.587 nan 8.270 nan 0.000 0.489 58 C N 1.329 120.516 119.300 -0.188 0.000 2.705 58 C HA 0.066 4.603 4.460 0.129 0.000 0.382 58 C C 0.895 175.862 174.990 -0.038 0.000 1.322 58 C CA -0.422 58.534 59.018 -0.104 0.000 2.290 58 C CB -0.183 27.491 27.740 -0.111 0.000 2.650 58 C HN 0.655 nan 8.230 nan 0.000 0.695 59 N N 0.489 119.209 118.700 0.033 0.000 2.708 59 N HA -0.143 4.674 4.740 0.129 0.000 0.251 59 N C 0.786 176.347 175.510 0.085 0.000 1.017 59 N CA 0.865 53.972 53.050 0.095 0.000 0.742 59 N CB -1.131 37.471 38.487 0.191 0.000 0.943 59 N HN 1.351 nan 8.380 nan 0.000 0.539 60 G N -1.853 106.972 108.800 0.040 0.000 2.241 60 G HA2 0.037 4.074 3.960 0.129 0.000 0.244 60 G HA3 0.037 4.074 3.960 0.129 0.000 0.244 60 G C 0.540 175.456 174.900 0.026 0.000 0.998 60 G CA 0.306 45.433 45.100 0.045 0.000 0.621 60 G HN 1.626 nan 8.290 nan 0.000 0.519 61 G N -0.687 108.050 108.800 -0.105 0.000 3.322 61 G HA2 0.566 4.604 3.960 0.129 0.000 0.686 61 G HA3 0.566 4.604 3.960 0.129 0.000 0.686 61 G C -0.506 173.890 174.900 -0.839 0.000 1.015 61 G CA 0.629 45.461 45.100 -0.446 0.000 0.826 61 G HN 2.803 nan 8.290 nan 0.000 0.538 62 H N -1.513 116.585 119.070 -1.620 0.000 3.003 62 H HA 0.684 5.318 4.556 0.130 0.000 0.327 62 H C -0.576 174.091 175.328 -1.101 0.000 1.353 62 H CA -1.642 53.683 56.048 -1.204 0.000 1.142 62 H CB 0.218 29.726 29.762 -0.424 0.000 1.864 62 H HN 0.620 nan 8.280 nan 0.000 0.529 63 W N 0.675 121.860 121.300 -0.193 0.000 2.183 63 W HA 0.641 5.378 4.660 0.128 0.000 0.348 63 W C -0.324 176.234 176.519 0.065 0.000 1.257 63 W CA -0.620 56.744 57.345 0.031 0.000 1.324 63 W CB 0.884 30.484 29.460 0.234 0.000 1.144 63 W HN 0.439 nan 8.180 nan 0.000 0.622 64 I N 2.351 123.111 120.570 0.316 0.000 2.534 64 I HA 0.336 4.584 4.170 0.129 0.000 0.286 64 I C -0.400 175.778 176.117 0.102 0.000 1.094 64 I CA -1.142 60.255 61.300 0.163 0.000 1.055 64 I CB 1.358 39.389 38.000 0.051 0.000 1.225 64 I HN 0.443 nan 8.210 nan 0.000 0.435 65 A N 3.328 126.174 122.820 0.043 0.000 2.354 65 A HA 0.482 4.879 4.320 0.129 0.000 0.281 65 A C 1.013 178.561 177.584 -0.060 0.000 1.174 65 A CA -0.057 51.971 52.037 -0.016 0.000 0.828 65 A CB 0.200 19.165 19.000 -0.059 0.000 1.099 65 A HN 0.858 nan 8.150 nan 0.000 0.516 66 T N -0.006 114.493 114.554 -0.092 0.000 3.060 66 T HA 0.198 4.626 4.350 0.129 0.000 0.249 66 T C 0.614 175.245 174.700 -0.116 0.000 1.079 66 T CA -0.023 62.004 62.100 -0.121 0.000 1.013 66 T CB 0.041 68.806 68.868 -0.172 0.000 0.975 66 T HN 0.500 nan 8.240 nan 0.000 0.518 67 R N 0.529 120.956 120.500 -0.122 0.000 2.589 67 R HA 0.580 4.997 4.340 0.129 0.000 0.293 67 R C 1.578 177.811 176.300 -0.112 0.000 0.963 67 R CA -0.286 55.742 56.100 -0.120 0.000 0.905 67 R CB 1.104 31.318 30.300 -0.144 0.000 1.144 67 R HN 0.244 nan 8.270 nan 0.000 0.459 68 G N 1.255 109.998 108.800 -0.096 0.000 2.469 68 G HA2 -0.333 3.704 3.960 0.129 0.000 0.220 68 G HA3 -0.333 3.704 3.960 0.129 0.000 0.220 68 G C 1.027 175.864 174.900 -0.104 0.000 1.136 68 G CA 0.731 45.775 45.100 -0.093 0.000 0.759 68 G HN 0.643 nan 8.290 nan 0.000 0.562 69 Q N -0.561 119.181 119.800 -0.098 0.000 2.119 69 Q HA -0.030 4.388 4.340 0.129 0.000 0.201 69 Q C 2.438 178.393 176.000 -0.074 0.000 0.972 69 Q CA 0.903 56.659 55.803 -0.078 0.000 0.847 69 Q CB -0.128 28.571 28.738 -0.066 0.000 0.903 69 Q HN 0.431 nan 8.270 nan 0.000 0.433 70 L N 0.283 121.421 121.223 -0.141 0.000 2.131 70 L HA -0.082 4.336 4.340 0.129 0.000 0.206 70 L C 2.164 179.010 176.870 -0.041 0.000 1.087 70 L CA 1.027 55.802 54.840 -0.107 0.000 0.767 70 L CB -0.230 41.684 42.059 -0.241 0.000 0.917 70 L HN 0.245 nan 8.230 nan 0.000 0.441 71 I N -0.965 119.535 120.570 -0.115 0.000 2.252 71 I HA -0.290 3.957 4.170 0.129 0.000 0.245 71 I C 2.585 178.634 176.117 -0.113 0.000 1.102 71 I CA 1.165 62.356 61.300 -0.182 0.000 1.385 71 I CB -0.281 37.661 38.000 -0.096 0.000 1.064 71 I HN 0.172 nan 8.210 nan 0.000 0.414 72 R N 0.527 120.973 120.500 -0.090 0.000 2.081 72 R HA -0.152 4.265 4.340 0.129 0.000 0.235 72 R C 2.256 178.629 176.300 0.122 0.000 1.131 72 R CA 1.306 57.308 56.100 -0.163 0.000 0.960 72 R CB -0.259 29.802 30.300 -0.399 0.000 0.856 72 R HN 0.403 nan 8.270 nan 0.000 0.436 73 E N 0.346 120.609 120.200 0.105 0.000 2.038 73 E HA -0.208 4.220 4.350 0.129 0.000 0.195 73 E C 2.078 178.760 176.600 0.136 0.000 1.000 73 E CA 1.321 57.850 56.400 0.215 0.000 0.803 73 E CB -0.119 29.796 29.700 0.359 0.000 0.750 73 E HN 0.370 nan 8.360 nan 0.000 0.448 74 A N 0.423 123.147 122.820 -0.159 0.000 1.933 74 A HA -0.193 4.204 4.320 0.129 0.000 0.218 74 A C 1.868 179.254 177.584 -0.330 0.000 1.175 74 A CA 1.278 52.837 52.037 -0.797 0.000 0.628 74 A CB -0.713 17.435 19.000 -1.420 0.000 0.814 74 A HN 0.290 nan 8.150 nan 0.000 0.444 75 Y N 0.159 120.439 120.300 -0.034 0.000 2.421 75 Y HA -0.064 4.567 4.550 0.135 0.000 0.292 75 Y C 2.263 178.297 175.900 0.224 0.000 1.136 75 Y CA 1.231 59.407 58.100 0.127 0.000 1.255 75 Y CB -0.246 38.333 38.460 0.199 0.000 0.991 75 Y HN 0.490 nan 8.280 nan 0.000 0.552 76 E N -1.066 119.363 120.200 0.382 0.000 2.318 76 E HA -0.083 4.345 4.350 0.129 0.000 0.193 76 E C 0.194 176.958 176.600 0.275 0.000 0.998 76 E CA 0.416 57.005 56.400 0.315 0.000 0.859 76 E CB 0.198 30.065 29.700 0.279 0.000 0.812 76 E HN 0.110 nan 8.360 nan 0.000 0.492 77 D N 0.114 120.674 120.400 0.267 0.000 2.638 77 D HA -0.001 4.716 4.640 0.129 0.000 0.245 77 D C 0.417 176.827 176.300 0.184 0.000 1.176 77 D CA -0.508 53.596 54.000 0.175 0.000 0.996 77 D CB -0.146 40.848 40.800 0.323 0.000 1.012 77 D HN 0.174 nan 8.370 nan 0.000 0.515 78 Y N 0.577 120.978 120.300 0.169 0.000 2.497 78 Y HA 0.095 4.724 4.550 0.130 0.000 0.292 78 Y C 1.885 177.791 175.900 0.011 0.000 1.137 78 Y CA 0.224 58.409 58.100 0.143 0.000 1.285 78 Y CB -0.301 38.243 38.460 0.140 0.000 0.991 78 Y HN 0.018 nan 8.280 nan 0.000 0.556 79 R N -0.204 119.940 120.500 -0.593 0.000 2.120 79 R HA -0.072 4.345 4.340 0.129 0.000 0.234 79 R C 1.270 177.200 176.300 -0.618 0.000 1.123 79 R CA 2.002 57.750 56.100 -0.587 0.000 0.975 79 R CB -0.352 29.502 30.300 -0.744 0.000 0.866 79 R HN 0.624 nan 8.270 nan 0.000 0.446 80 H N -3.059 115.738 119.070 -0.454 0.000 2.545 80 H HA 0.204 4.837 4.556 0.129 0.000 0.283 80 H C -0.411 174.466 175.328 -0.751 0.000 0.997 80 H CA 0.081 55.660 56.048 -0.782 0.000 1.269 80 H CB 0.545 29.435 29.762 -1.453 0.000 1.451 80 H HN -0.042 nan 8.280 nan 0.000 0.508 81 F N 1.397 121.321 119.950 -0.043 0.000 2.291 81 F HA 0.287 4.892 4.527 0.130 0.000 0.368 81 F C 0.382 176.219 175.800 0.061 0.000 1.085 81 F CA -0.738 57.256 58.000 -0.010 0.000 1.165 81 F CB 1.009 39.975 39.000 -0.057 0.000 1.429 81 F HN -0.078 nan 8.300 nan 0.000 0.503 82 S N 1.008 116.803 115.700 0.158 0.000 2.580 82 S HA 0.150 4.697 4.470 0.129 0.000 0.274 82 S C 1.237 175.917 174.600 0.133 0.000 1.329 82 S CA -0.427 57.863 58.200 0.151 0.000 1.036 82 S CB 1.099 64.352 63.200 0.087 0.000 0.919 82 S HN 0.541 nan 8.310 nan 0.000 0.515 83 S N 2.441 118.210 115.700 0.115 0.000 2.562 83 S HA 0.029 4.576 4.470 0.129 0.000 0.221 83 S C 1.594 176.180 174.600 -0.023 0.000 0.975 83 S CA 0.287 58.495 58.200 0.013 0.000 0.918 83 S CB -0.264 62.885 63.200 -0.084 0.000 0.772 83 S HN 0.879 nan 8.310 nan 0.000 0.531 84 E N 0.059 120.273 120.200 0.023 0.000 2.130 84 E HA -0.191 4.236 4.350 0.129 0.000 0.196 84 E C 0.290 176.877 176.600 -0.021 0.000 0.998 84 E CA 0.850 57.259 56.400 0.015 0.000 0.806 84 E CB 0.065 29.787 29.700 0.037 0.000 0.738 84 E HN 0.393 nan 8.360 nan 0.000 0.459 85 C N 1.364 120.646 119.300 -0.031 0.000 3.002 85 C HA 0.418 4.955 4.460 0.129 0.000 0.248 85 C C -2.166 172.783 174.990 -0.069 0.000 1.153 85 C CA -1.543 57.440 59.018 -0.058 0.000 1.502 85 C CB 1.010 28.747 27.740 -0.006 0.000 1.805 85 C HN 0.297 nan 8.230 nan 0.000 0.450 86 P HA 0.208 nan 4.420 nan 0.000 0.261 86 P C -0.152 177.229 177.300 0.134 0.000 1.268 86 P CA 0.316 63.370 63.100 -0.076 0.000 0.833 86 P CB 0.192 31.763 31.700 -0.215 0.000 1.231 87 F N 0.140 119.891 119.950 -0.331 0.000 2.561 87 F HA 0.449 5.051 4.527 0.126 0.000 0.321 87 F C 0.531 176.218 175.800 -0.189 0.000 1.065 87 F CA -1.849 55.999 58.000 -0.253 0.000 0.934 87 F CB 1.375 40.181 39.000 -0.323 0.000 1.215 87 F HN -0.313 nan 8.300 nan 0.000 0.471 88 I N 4.367 124.908 120.570 -0.050 0.000 2.433 88 I HA 0.330 4.577 4.170 0.129 0.000 0.292 88 I C -2.217 173.971 176.117 0.118 0.000 1.001 88 I CA -2.438 58.810 61.300 -0.087 0.000 1.119 88 I CB 1.818 39.602 38.000 -0.361 0.000 1.289 88 I HN 0.271 nan 8.210 nan 0.000 0.438 89 P HA 0.231 nan 4.420 nan 0.000 0.275 89 P C 0.726 178.030 177.300 0.005 0.000 1.266 89 P CA -0.452 62.671 63.100 0.039 0.000 0.793 89 P CB 1.182 32.912 31.700 0.051 0.000 1.074 90 R N 0.292 120.798 120.500 0.009 0.000 2.103 90 R HA -0.221 4.197 4.340 0.129 0.000 0.242 90 R C 1.885 178.179 176.300 -0.008 0.000 1.142 90 R CA 2.038 58.143 56.100 0.007 0.000 0.960 90 R CB -0.370 29.949 30.300 0.032 0.000 0.858 90 R HN 0.422 nan 8.270 nan 0.000 0.439 91 E N -0.016 120.184 120.200 0.000 0.000 2.118 91 E HA -0.179 4.249 4.350 0.129 0.000 0.195 91 E C 1.789 178.364 176.600 -0.042 0.000 0.992 91 E CA 1.553 57.954 56.400 0.003 0.000 0.804 91 E CB -0.223 29.492 29.700 0.025 0.000 0.741 91 E HN 0.485 nan 8.360 nan 0.000 0.458 92 A N 0.506 123.259 122.820 -0.113 0.000 1.897 92 A HA 0.009 4.407 4.320 0.129 0.000 0.215 92 A C 2.444 179.723 177.584 -0.507 0.000 1.181 92 A CA 1.524 53.309 52.037 -0.420 0.000 0.620 92 A CB -1.064 17.775 19.000 -0.268 0.000 0.821 92 A HN 0.350 nan 8.150 nan 0.000 0.443 93 G N -0.639 108.040 108.800 -0.202 0.000 2.422 93 G HA2 -0.143 3.895 3.960 0.129 0.000 0.218 93 G HA3 -0.143 3.895 3.960 0.129 0.000 0.218 93 G C 1.436 176.257 174.900 -0.131 0.000 1.140 93 G CA 1.054 46.048 45.100 -0.177 0.000 0.775 93 G HN 0.615 nan 8.290 nan 0.000 0.545 94 E N 0.333 120.488 120.200 -0.075 0.000 2.016 94 E HA 0.119 4.547 4.350 0.129 0.000 0.190 94 E C 2.831 179.436 176.600 0.009 0.000 0.985 94 E CA 0.776 57.166 56.400 -0.017 0.000 0.802 94 E CB -0.190 29.513 29.700 0.005 0.000 0.762 94 E HN 0.321 nan 8.360 nan 0.000 0.448 95 A N 0.463 123.300 122.820 0.029 0.000 2.178 95 A HA -0.153 4.244 4.320 0.129 0.000 0.218 95 A C 0.526 178.191 177.584 0.135 0.000 1.157 95 A CA 0.518 52.627 52.037 0.120 0.000 0.689 95 A CB -0.524 18.649 19.000 0.290 0.000 0.787 95 A HN 0.341 nan 8.150 nan 0.000 0.465 96 Y N 1.920 122.108 120.300 -0.185 0.000 2.436 96 Y HA 0.351 4.977 4.550 0.127 0.000 0.336 96 Y C 0.110 175.846 175.900 -0.274 0.000 1.049 96 Y CA -0.871 56.993 58.100 -0.393 0.000 1.294 96 Y CB 0.634 38.637 38.460 -0.762 0.000 1.179 96 Y HN 0.397 nan 8.280 nan 0.000 0.520 97 D N 3.459 123.700 120.400 -0.264 0.000 2.562 97 D HA 0.044 4.761 4.640 0.129 0.000 0.246 97 D C -0.507 175.818 176.300 0.042 0.000 1.347 97 D CA -0.348 53.657 54.000 0.007 0.000 0.800 97 D CB -0.813 40.020 40.800 0.055 0.000 1.111 97 D HN 0.144 nan 8.370 nan 0.000 0.508 98 F N 1.353 121.138 119.950 -0.275 0.000 2.650 98 F HA 0.174 4.781 4.527 0.133 0.000 0.355 98 F C 1.222 177.021 175.800 -0.001 0.000 1.163 98 F CA -0.583 57.303 58.000 -0.190 0.000 1.374 98 F CB 0.203 38.945 39.000 -0.431 0.000 1.065 98 F HN -0.089 nan 8.300 nan 0.000 0.616 99 I N 4.259 124.932 120.570 0.172 0.000 2.569 99 I HA 0.227 4.475 4.170 0.129 0.000 0.296 99 I C -1.780 174.396 176.117 0.097 0.000 1.028 99 I CA -1.821 59.500 61.300 0.035 0.000 1.082 99 I CB 2.535 40.427 38.000 -0.180 0.000 1.264 99 I HN 0.316 nan 8.210 nan 0.000 0.429 100 P HA 0.026 nan 4.420 nan 0.000 0.257 100 P C 1.201 178.669 177.300 0.280 0.000 1.281 100 P CA 0.260 63.457 63.100 0.162 0.000 0.826 100 P CB -0.119 31.706 31.700 0.208 0.000 1.237 101 T N -2.514 112.202 114.554 0.269 0.000 2.867 101 T HA -0.136 4.292 4.350 0.129 0.000 0.268 101 T C 1.744 176.472 174.700 0.046 0.000 1.057 101 T CA 1.645 63.826 62.100 0.135 0.000 1.136 101 T CB -1.268 67.756 68.868 0.261 0.000 0.874 101 T HN 0.199 nan 8.240 nan 0.000 0.466 102 S N 0.637 116.463 115.700 0.209 0.000 2.607 102 S HA 0.309 4.857 4.470 0.129 0.000 0.224 102 S C 0.541 175.187 174.600 0.077 0.000 0.969 102 S CA -0.483 57.795 58.200 0.129 0.000 0.927 102 S CB -0.791 62.538 63.200 0.216 0.000 0.772 102 S HN 0.563 nan 8.310 nan 0.000 0.533 103 M N 1.848 121.516 119.600 0.113 0.000 2.436 103 M HA 0.509 5.066 4.480 0.129 0.000 0.331 103 M C -1.043 175.382 176.300 0.208 0.000 1.135 103 M CA -0.645 54.725 55.300 0.118 0.000 0.987 103 M CB 1.464 34.105 32.600 0.069 0.000 1.687 103 M HN -0.060 nan 8.290 nan 0.000 0.445 104 D N 2.335 122.813 120.400 0.130 0.000 2.217 104 D HA 0.468 5.185 4.640 0.129 0.000 0.248 104 D C -2.425 173.816 176.300 -0.098 0.000 1.008 104 D CA -1.237 52.810 54.000 0.079 0.000 0.914 104 D CB 1.339 42.215 40.800 0.127 0.000 1.182 104 D HN 0.173 nan 8.370 nan 0.000 0.451 105 P HA 0.064 nan 4.420 nan 0.000 0.269 105 P C -1.864 175.324 177.300 -0.187 0.000 1.217 105 P CA -0.710 62.154 63.100 -0.393 0.000 0.783 105 P CB 0.121 31.377 31.700 -0.741 0.000 0.898 106 P HA 0.035 nan 4.420 nan 0.000 0.255 106 P C 1.180 178.474 177.300 -0.009 0.000 1.248 106 P CA 0.557 63.623 63.100 -0.058 0.000 0.807 106 P CB 0.172 31.864 31.700 -0.013 0.000 1.150 107 E N 1.483 121.701 120.200 0.030 0.000 2.021 107 E HA -0.264 4.164 4.350 0.129 0.000 0.200 107 E C 1.758 178.479 176.600 0.201 0.000 1.015 107 E CA 1.695 58.165 56.400 0.117 0.000 0.824 107 E CB -0.100 29.673 29.700 0.121 0.000 0.762 107 E HN 0.124 nan 8.360 nan 0.000 0.454 108 Q N 1.057 120.942 119.800 0.141 0.000 2.376 108 Q HA -0.216 4.202 4.340 0.129 0.000 0.211 108 Q C 1.821 177.916 176.000 0.158 0.000 0.986 108 Q CA 1.436 57.354 55.803 0.192 0.000 0.886 108 Q CB -0.764 28.031 28.738 0.094 0.000 0.927 108 Q HN 0.253 nan 8.270 nan 0.000 0.457 109 R N 0.231 120.762 120.500 0.052 0.000 2.094 109 R HA -0.203 4.214 4.340 0.129 0.000 0.239 109 R C 1.883 178.183 176.300 0.000 0.000 1.137 109 R CA 1.899 57.997 56.100 -0.004 0.000 0.943 109 R CB -0.091 30.188 30.300 -0.035 0.000 0.850 109 R HN 0.358 nan 8.270 nan 0.000 0.433 110 Q N -0.191 119.590 119.800 -0.033 0.000 2.050 110 Q HA -0.138 4.280 4.340 0.129 0.000 0.202 110 Q C 2.124 178.014 176.000 -0.183 0.000 0.980 110 Q CA 1.637 57.339 55.803 -0.168 0.000 0.840 110 Q CB -0.438 28.101 28.738 -0.331 0.000 0.898 110 Q HN 0.373 nan 8.270 nan 0.000 0.424 111 F N 0.518 120.468 119.950 -0.000 0.000 2.171 111 F HA -0.127 4.476 4.527 0.126 0.000 0.300 111 F C 2.568 178.374 175.800 0.011 0.000 1.090 111 F CA 1.061 59.068 58.000 0.012 0.000 1.293 111 F CB -0.306 38.713 39.000 0.031 0.000 1.013 111 F HN 0.060 nan 8.300 nan 0.000 0.486 112 R N 0.549 121.153 120.500 0.174 0.000 2.096 112 R HA -0.132 4.286 4.340 0.129 0.000 0.235 112 R C 2.334 178.661 176.300 0.045 0.000 1.127 112 R CA 1.108 57.263 56.100 0.091 0.000 0.968 112 R CB -0.406 29.914 30.300 0.034 0.000 0.861 112 R HN 0.273 nan 8.270 nan 0.000 0.440 113 A N 0.977 123.805 122.820 0.014 0.000 1.902 113 A HA -0.171 4.226 4.320 0.129 0.000 0.217 113 A C 1.982 179.563 177.584 -0.006 0.000 1.181 113 A CA 1.178 53.208 52.037 -0.011 0.000 0.623 113 A CB -0.541 18.435 19.000 -0.041 0.000 0.818 113 A HN 0.366 nan 8.150 nan 0.000 0.443 114 L N -0.333 120.887 121.223 -0.005 0.000 2.056 114 L HA 0.043 4.461 4.340 0.129 0.000 0.207 114 L C 2.606 179.493 176.870 0.030 0.000 1.078 114 L CA 2.118 56.959 54.840 0.003 0.000 0.749 114 L CB -0.838 41.219 42.059 -0.004 0.000 0.901 114 L HN 0.319 nan 8.230 nan 0.000 0.433 115 A N -0.595 122.260 122.820 0.058 0.000 2.015 115 A HA -0.223 4.175 4.320 0.129 0.000 0.219 115 A C 2.141 179.752 177.584 0.044 0.000 1.163 115 A CA 1.608 53.681 52.037 0.060 0.000 0.646 115 A CB -0.875 18.172 19.000 0.079 0.000 0.806 115 A HN 0.586 nan 8.150 nan 0.000 0.448 116 N N 0.078 118.799 118.700 0.035 0.000 2.244 116 N HA -0.147 4.671 4.740 0.129 0.000 0.183 116 N C 1.813 177.335 175.510 0.020 0.000 1.016 116 N CA 1.578 54.646 53.050 0.030 0.000 0.866 116 N CB -0.325 38.176 38.487 0.022 0.000 0.980 116 N HN 0.655 nan 8.380 nan 0.000 0.430 117 Q N -0.528 119.278 119.800 0.010 0.000 2.170 117 Q HA -0.074 4.344 4.340 0.129 0.000 0.203 117 Q C 1.874 177.875 176.000 0.001 0.000 0.976 117 Q CA 1.582 57.385 55.803 -0.000 0.000 0.858 117 Q CB 0.052 28.786 28.738 -0.007 0.000 0.907 117 Q HN 0.458 nan 8.270 nan 0.000 0.433 118 V N -2.670 117.249 119.914 0.010 0.000 3.354 118 V HA 0.051 4.248 4.120 0.129 0.000 0.258 118 V C 1.572 177.675 176.094 0.015 0.000 1.159 118 V CA 0.648 62.951 62.300 0.005 0.000 1.125 118 V CB 0.411 32.239 31.823 0.007 0.000 0.774 118 V HN 0.245 nan 8.190 nan 0.000 0.464 119 V N -2.642 117.291 119.914 0.032 0.000 3.382 119 V HA 0.665 4.862 4.120 0.129 0.000 0.296 119 V C 1.253 177.381 176.094 0.056 0.000 1.529 119 V CA 0.171 62.498 62.300 0.046 0.000 1.048 119 V CB -0.731 31.129 31.823 0.062 0.000 0.878 119 V HN 0.450 nan 8.190 nan 0.000 0.442 120 G N 0.089 108.919 108.800 0.050 0.000 2.712 120 G HA2 0.237 4.274 3.960 0.129 0.000 0.258 120 G HA3 0.237 4.274 3.960 0.129 0.000 0.258 120 G C 0.610 175.530 174.900 0.033 0.000 1.241 120 G CA 0.409 45.549 45.100 0.067 0.000 0.923 120 G HN 0.156 nan 8.290 nan 0.000 0.548 121 M N 0.821 120.390 119.600 -0.053 0.000 2.082 121 M HA -0.038 4.519 4.480 0.129 0.000 0.258 121 M C -0.131 176.126 176.300 -0.070 0.000 1.069 121 M CA 1.845 57.059 55.300 -0.144 0.000 1.102 121 M CB -1.141 31.267 32.600 -0.318 0.000 1.336 121 M HN 0.326 nan 8.290 nan 0.000 0.404 122 P HA -0.134 nan 4.420 nan 0.000 0.216 122 P C 1.762 179.048 177.300 -0.023 0.000 1.153 122 P CA 1.395 64.472 63.100 -0.038 0.000 0.858 122 P CB -0.194 31.486 31.700 -0.034 0.000 0.789 123 V N -0.509 119.397 119.914 -0.015 0.000 2.295 123 V HA -0.195 4.002 4.120 0.129 0.000 0.246 123 V C 2.481 178.573 176.094 -0.004 0.000 1.049 123 V CA 1.734 64.028 62.300 -0.009 0.000 1.024 123 V CB -1.276 30.544 31.823 -0.004 0.000 0.648 123 V HN -0.038 nan 8.190 nan 0.000 0.447 124 V N 0.205 120.122 119.914 0.006 0.000 2.332 124 V HA -0.277 3.921 4.120 0.129 0.000 0.248 124 V C 2.306 178.407 176.094 0.012 0.000 1.055 124 V CA 2.222 64.532 62.300 0.017 0.000 1.038 124 V CB -0.738 31.107 31.823 0.036 0.000 0.651 124 V HN 0.550 nan 8.190 nan 0.000 0.450 125 D N -0.158 120.240 120.400 -0.002 0.000 2.117 125 D HA -0.171 4.547 4.640 0.129 0.000 0.197 125 D C 2.208 178.509 176.300 0.002 0.000 0.987 125 D CA 1.326 55.325 54.000 -0.002 0.000 0.829 125 D CB -0.173 40.618 40.800 -0.015 0.000 0.961 125 D HN 0.395 nan 8.370 nan 0.000 0.460 126 K N 0.249 120.647 120.400 -0.004 0.000 2.147 126 K HA -0.016 4.381 4.320 0.129 0.000 0.205 126 K C 1.948 178.548 176.600 0.001 0.000 1.049 126 K CA 0.522 56.807 56.287 -0.004 0.000 0.936 126 K CB 0.038 32.532 32.500 -0.010 0.000 0.722 126 K HN 0.114 nan 8.250 nan 0.000 0.446 127 L N 0.237 121.462 121.223 0.002 0.000 2.567 127 L HA 0.013 4.430 4.340 0.129 0.000 0.225 127 L C 1.952 178.836 176.870 0.023 0.000 1.119 127 L CA 0.135 54.978 54.840 0.005 0.000 0.871 127 L CB -0.043 42.013 42.059 -0.005 0.000 1.036 127 L HN 0.280 nan 8.230 nan 0.000 0.459 128 E N 1.022 121.241 120.200 0.030 0.000 2.114 128 E HA -0.285 4.142 4.350 0.129 0.000 0.199 128 E C 1.665 178.300 176.600 0.058 0.000 1.008 128 E CA 1.979 58.409 56.400 0.050 0.000 0.810 128 E CB 0.070 29.796 29.700 0.044 0.000 0.739 128 E HN 0.560 nan 8.360 nan 0.000 0.456 129 N N -0.539 118.186 118.700 0.042 0.000 2.120 129 N HA -0.162 4.655 4.740 0.129 0.000 0.188 129 N C 1.892 177.434 175.510 0.053 0.000 1.024 129 N CA 0.762 53.838 53.050 0.043 0.000 0.852 129 N CB -0.004 38.501 38.487 0.028 0.000 1.003 129 N HN -0.037 nan 8.380 nan 0.000 0.424 130 R N 1.228 121.755 120.500 0.045 0.000 2.073 130 R HA 0.007 4.425 4.340 0.129 0.000 0.234 130 R C 2.009 178.361 176.300 0.086 0.000 1.134 130 R CA 0.931 57.059 56.100 0.047 0.000 0.952 130 R CB -0.907 29.405 30.300 0.020 0.000 0.850 130 R HN 0.328 nan 8.270 nan 0.000 0.433 131 I N 0.269 120.899 120.570 0.099 0.000 2.127 131 I HA -0.350 3.898 4.170 0.129 0.000 0.241 131 I C 2.479 178.769 176.117 0.288 0.000 1.075 131 I CA 1.726 63.140 61.300 0.191 0.000 1.334 131 I CB -0.365 37.733 38.000 0.163 0.000 1.040 131 I HN 0.194 nan 8.210 nan 0.000 0.405 132 Q N 1.238 121.149 119.800 0.184 0.000 2.096 132 Q HA -0.288 4.130 4.340 0.129 0.000 0.204 132 Q C 2.063 178.134 176.000 0.118 0.000 0.982 132 Q CA 2.104 57.994 55.803 0.144 0.000 0.850 132 Q CB -0.257 28.538 28.738 0.095 0.000 0.901 132 Q HN 0.467 nan 8.270 nan 0.000 0.422 133 E N -0.639 119.622 120.200 0.103 0.000 2.038 133 E HA -0.220 4.207 4.350 0.129 0.000 0.195 133 E C 1.903 178.559 176.600 0.094 0.000 1.000 133 E CA 1.343 57.789 56.400 0.078 0.000 0.803 133 E CB -0.220 29.516 29.700 0.060 0.000 0.750 133 E HN 0.426 nan 8.360 nan 0.000 0.448 134 L N 1.008 122.316 121.223 0.142 0.000 2.012 134 L HA -0.134 4.284 4.340 0.129 0.000 0.210 134 L C 2.293 179.255 176.870 0.153 0.000 1.073 134 L CA 2.293 57.234 54.840 0.167 0.000 0.748 134 L CB -0.918 41.281 42.059 0.232 0.000 0.891 134 L HN 0.177 nan 8.230 nan 0.000 0.431 135 A N -1.405 121.502 122.820 0.145 0.000 1.883 135 A HA -0.258 4.139 4.320 0.129 0.000 0.217 135 A C 2.416 180.018 177.584 0.030 0.000 1.186 135 A CA 1.955 53.937 52.037 -0.092 0.000 0.624 135 A CB -1.498 17.369 19.000 -0.221 0.000 0.822 135 A HN 0.627 nan 8.150 nan 0.000 0.444 136 C N -0.482 118.838 119.300 0.033 0.000 2.429 136 C HA -0.072 4.465 4.460 0.129 0.000 0.277 136 C C 3.483 178.481 174.990 0.012 0.000 1.262 136 C CA 1.415 60.440 59.018 0.011 0.000 1.733 136 C CB -1.132 26.617 27.740 0.014 0.000 2.010 136 C HN 0.802 nan 8.230 nan 0.000 0.483 137 S N 0.640 116.360 115.700 0.033 0.000 2.345 137 S HA -0.127 4.421 4.470 0.129 0.000 0.220 137 S C 1.766 176.388 174.600 0.037 0.000 1.031 137 S CA 1.353 59.571 58.200 0.030 0.000 0.996 137 S CB -0.514 62.709 63.200 0.038 0.000 0.882 137 S HN 0.331 nan 8.310 nan 0.000 0.445 138 L N 1.742 123.001 121.223 0.060 0.000 2.013 138 L HA 0.021 4.438 4.340 0.129 0.000 0.212 138 L C 2.520 179.458 176.870 0.114 0.000 1.073 138 L CA 1.597 56.493 54.840 0.092 0.000 0.753 138 L CB -1.165 40.938 42.059 0.073 0.000 0.890 138 L HN 0.440 nan 8.230 nan 0.000 0.432 139 I N -1.075 119.547 120.570 0.088 0.000 2.252 139 I HA -0.242 4.005 4.170 0.129 0.000 0.245 139 I C 2.450 178.474 176.117 -0.155 0.000 1.102 139 I CA 1.038 62.272 61.300 -0.110 0.000 1.385 139 I CB -0.284 37.578 38.000 -0.230 0.000 1.064 139 I HN 0.234 nan 8.210 nan 0.000 0.414 140 E N 0.887 121.035 120.200 -0.086 0.000 2.153 140 E HA -0.224 4.203 4.350 0.129 0.000 0.194 140 E C 2.212 178.796 176.600 -0.025 0.000 0.988 140 E CA 1.607 57.965 56.400 -0.069 0.000 0.811 140 E CB -0.229 29.447 29.700 -0.040 0.000 0.746 140 E HN 0.278 nan 8.360 nan 0.000 0.466 141 S N -1.034 114.668 115.700 0.003 0.000 2.399 141 S HA -0.066 4.482 4.470 0.129 0.000 0.231 141 S C 1.718 176.353 174.600 0.058 0.000 1.022 141 S CA 1.180 59.399 58.200 0.031 0.000 0.983 141 S CB -0.140 63.086 63.200 0.043 0.000 0.803 141 S HN 0.368 nan 8.310 nan 0.000 0.480 142 L N 0.391 121.655 121.223 0.069 0.000 2.354 142 L HA 0.292 4.710 4.340 0.129 0.000 0.212 142 L C 2.589 179.627 176.870 0.279 0.000 1.091 142 L CA 0.325 55.268 54.840 0.172 0.000 0.828 142 L CB -0.489 41.710 42.059 0.233 0.000 0.973 142 L HN 0.194 nan 8.230 nan 0.000 0.461 143 R N 0.971 121.519 120.500 0.080 0.000 2.165 143 R HA -0.215 4.202 4.340 0.129 0.000 0.254 143 R C -0.673 175.833 176.300 0.343 0.000 1.153 143 R CA 2.279 58.440 56.100 0.102 0.000 0.971 143 R CB -1.049 29.193 30.300 -0.097 0.000 0.878 143 R HN 0.290 nan 8.270 nan 0.000 0.449 144 P HA -0.007 nan 4.420 nan 0.000 0.230 144 P C 0.489 177.814 177.300 0.041 0.000 1.168 144 P CA 0.863 64.032 63.100 0.115 0.000 0.793 144 P CB 0.037 31.770 31.700 0.054 0.000 0.851 145 Q N -0.296 119.525 119.800 0.034 0.000 2.234 145 Q HA -0.024 4.394 4.340 0.129 0.000 0.206 145 Q C 1.455 177.241 176.000 -0.357 0.000 0.980 145 Q CA 1.174 56.914 55.803 -0.104 0.000 0.869 145 Q CB -0.767 27.941 28.738 -0.050 0.000 0.912 145 Q HN 0.278 nan 8.270 nan 0.000 0.436 146 G N 1.300 109.685 108.800 -0.692 0.000 2.155 146 G HA2 -0.326 3.712 3.960 0.129 0.000 0.257 146 G HA3 -0.326 3.712 3.960 0.129 0.000 0.257 146 G C -0.065 173.914 174.900 -1.536 0.000 0.983 146 G CA 0.814 45.151 45.100 -1.272 0.000 0.676 146 G HN 0.472 nan 8.290 nan 0.000 0.528 147 Q N -2.003 116.836 119.800 -1.601 0.000 2.848 147 Q HA 0.526 4.943 4.340 0.129 0.000 0.288 147 Q C -0.537 175.284 176.000 -0.299 0.000 0.907 147 Q CA -0.561 54.726 55.803 -0.859 0.000 0.792 147 Q CB 1.251 29.765 28.738 -0.375 0.000 1.534 147 Q HN 1.726 nan 8.270 nan 0.000 0.419 148 C N -0.037 119.317 119.300 0.090 0.000 3.197 148 C HA 0.573 5.110 4.460 0.129 0.000 0.343 148 C C -1.792 173.350 174.990 0.254 0.000 1.291 148 C CA -0.722 58.445 59.018 0.249 0.000 1.191 148 C CB 1.242 29.280 27.740 0.496 0.000 1.444 148 C HN 0.886 nan 8.230 nan 0.000 0.468 149 N N 1.445 120.269 118.700 0.208 0.000 2.955 149 N HA 0.218 5.036 4.740 0.129 0.000 0.242 149 N C 0.381 176.018 175.510 0.211 0.000 1.123 149 N CA -0.334 52.823 53.050 0.178 0.000 0.949 149 N CB 0.680 39.234 38.487 0.111 0.000 1.214 149 N HN 0.756 nan 8.380 nan 0.000 0.504 150 F N 2.581 122.596 119.950 0.109 0.000 2.135 150 F HA -0.351 4.250 4.527 0.124 0.000 0.300 150 F C 2.539 178.379 175.800 0.066 0.000 1.074 150 F CA 2.194 60.236 58.000 0.070 0.000 1.262 150 F CB -0.123 38.835 39.000 -0.070 0.000 1.013 150 F HN 0.378 nan 8.300 nan 0.000 0.489 151 T N -1.818 112.814 114.554 0.130 0.000 2.746 151 T HA -0.239 4.189 4.350 0.129 0.000 0.267 151 T C 1.629 176.308 174.700 -0.036 0.000 1.039 151 T CA 1.496 63.609 62.100 0.023 0.000 1.142 151 T CB -0.700 68.195 68.868 0.045 0.000 0.866 151 T HN 0.685 nan 8.240 nan 0.000 0.444 152 E N 0.686 120.887 120.200 0.002 0.000 2.276 152 E HA 0.009 4.436 4.350 0.129 0.000 0.193 152 E C 1.289 177.885 176.600 -0.006 0.000 0.983 152 E CA 0.562 56.962 56.400 -0.001 0.000 0.861 152 E CB -0.104 29.611 29.700 0.025 0.000 0.817 152 E HN 0.352 nan 8.360 nan 0.000 0.485 153 D N -0.566 119.843 120.400 0.015 0.000 2.277 153 D HA -0.028 4.690 4.640 0.129 0.000 0.208 153 D C 0.692 177.018 176.300 0.043 0.000 0.962 153 D CA 0.912 54.945 54.000 0.056 0.000 0.865 153 D CB 0.192 41.080 40.800 0.147 0.000 0.939 153 D HN 0.280 nan 8.370 nan 0.000 0.510 154 Y N -0.385 119.747 120.300 -0.280 0.000 3.189 154 Y HA 0.337 4.961 4.550 0.123 0.000 0.213 154 Y C 1.926 177.603 175.900 -0.372 0.000 1.032 154 Y CA 0.554 58.442 58.100 -0.354 0.000 1.482 154 Y CB -0.295 37.831 38.460 -0.556 0.000 1.460 154 Y HN -0.157 nan 8.280 nan 0.000 0.398 155 A N 0.968 123.516 122.820 -0.453 0.000 1.958 155 A HA -0.239 4.159 4.320 0.129 0.000 0.221 155 A C 1.845 179.384 177.584 -0.074 0.000 1.178 155 A CA 2.499 54.434 52.037 -0.170 0.000 0.642 155 A CB -0.619 18.301 19.000 -0.134 0.000 0.816 155 A HN 0.708 nan 8.150 nan 0.000 0.453 156 E N -1.062 119.075 120.200 -0.105 0.000 2.030 156 E HA -0.070 4.357 4.350 0.129 0.000 0.189 156 E C -0.500 176.056 176.600 -0.073 0.000 0.974 156 E CA 0.697 57.058 56.400 -0.065 0.000 0.807 156 E CB -0.541 29.131 29.700 -0.046 0.000 0.771 156 E HN 0.512 nan 8.360 nan 0.000 0.451 157 P HA -0.188 nan 4.420 nan 0.000 0.216 157 P C 1.468 178.713 177.300 -0.092 0.000 1.153 157 P CA 1.127 64.181 63.100 -0.076 0.000 0.848 157 P CB -0.132 31.527 31.700 -0.067 0.000 0.787 158 F N 3.400 123.130 119.950 -0.367 0.000 2.011 158 F HA -0.128 4.471 4.527 0.120 0.000 0.296 158 F C -0.817 174.885 175.800 -0.164 0.000 1.144 158 F CA 2.116 59.883 58.000 -0.389 0.000 1.185 158 F CB -2.183 36.323 39.000 -0.823 0.000 0.961 158 F HN -0.021 nan 8.300 nan 0.000 0.485 159 P HA -0.111 nan 4.420 nan 0.000 0.217 159 P C 2.265 179.459 177.300 -0.177 0.000 1.151 159 P CA 1.877 64.735 63.100 -0.403 0.000 0.828 159 P CB -0.209 31.387 31.700 -0.173 0.000 0.788 160 I N -0.339 120.173 120.570 -0.096 0.000 2.179 160 I HA -0.199 4.048 4.170 0.129 0.000 0.242 160 I C 2.787 178.926 176.117 0.036 0.000 1.088 160 I CA 1.409 62.708 61.300 -0.002 0.000 1.357 160 I CB -0.451 37.541 38.000 -0.013 0.000 1.051 160 I HN -0.148 nan 8.210 nan 0.000 0.409 161 R N 0.359 120.841 120.500 -0.030 0.000 2.092 161 R HA -0.114 4.303 4.340 0.129 0.000 0.231 161 R C 2.280 178.553 176.300 -0.046 0.000 1.119 161 R CA 1.095 57.181 56.100 -0.023 0.000 0.970 161 R CB -0.148 30.135 30.300 -0.029 0.000 0.864 161 R HN 0.279 nan 8.270 nan 0.000 0.440 162 I N 0.143 120.651 120.570 -0.104 0.000 2.226 162 I HA -0.272 3.975 4.170 0.129 0.000 0.245 162 I C 2.141 178.225 176.117 -0.056 0.000 1.100 162 I CA 1.351 62.581 61.300 -0.118 0.000 1.374 162 I CB -0.772 37.082 38.000 -0.242 0.000 1.057 162 I HN 0.084 nan 8.210 nan 0.000 0.413 163 F N 1.098 120.975 119.950 -0.122 0.000 2.206 163 F HA -0.185 4.413 4.527 0.118 0.000 0.298 163 F C 2.489 178.259 175.800 -0.051 0.000 1.090 163 F CA 1.316 59.268 58.000 -0.081 0.000 1.323 163 F CB -0.101 38.853 39.000 -0.077 0.000 1.028 163 F HN -0.103 nan 8.300 nan 0.000 0.492 164 M N -0.132 119.436 119.600 -0.052 0.000 2.117 164 M HA -0.130 4.427 4.480 0.129 0.000 0.262 164 M C 2.290 178.484 176.300 -0.176 0.000 1.065 164 M CA 1.241 56.480 55.300 -0.101 0.000 1.114 164 M CB -1.541 31.076 32.600 0.027 0.000 1.361 164 M HN 0.374 nan 8.290 nan 0.000 0.408 165 L N 0.727 121.870 121.223 -0.133 0.000 2.017 165 L HA -0.168 4.250 4.340 0.129 0.000 0.208 165 L C 2.243 179.015 176.870 -0.164 0.000 1.073 165 L CA 1.587 56.358 54.840 -0.115 0.000 0.745 165 L CB -1.003 41.009 42.059 -0.079 0.000 0.894 165 L HN 0.284 nan 8.230 nan 0.000 0.432 166 L N -0.160 120.924 121.223 -0.231 0.000 2.131 166 L HA 0.009 4.426 4.340 0.129 0.000 0.210 166 L C 2.201 178.879 176.870 -0.321 0.000 1.092 166 L CA 1.996 56.687 54.840 -0.248 0.000 0.759 166 L CB -0.946 40.967 42.059 -0.243 0.000 0.903 166 L HN 0.269 nan 8.230 nan 0.000 0.435 167 A N -0.922 121.605 122.820 -0.490 0.000 2.147 167 A HA 0.431 4.828 4.320 0.129 0.000 0.211 167 A C 1.639 179.103 177.584 -0.201 0.000 1.160 167 A CA 0.489 52.276 52.037 -0.416 0.000 0.781 167 A CB -0.706 17.897 19.000 -0.662 0.000 0.842 167 A HN 0.910 nan 8.150 nan 0.000 0.475 168 G N -0.579 108.124 108.800 -0.162 0.000 2.256 168 G HA2 -0.179 3.859 3.960 0.129 0.000 0.272 168 G HA3 -0.179 3.859 3.960 0.129 0.000 0.272 168 G C -0.229 174.645 174.900 -0.044 0.000 1.076 168 G CA 0.414 45.462 45.100 -0.086 0.000 0.882 168 G HN 0.480 nan 8.290 nan 0.000 0.497 169 L N 0.507 121.712 121.223 -0.029 0.000 2.346 169 L HA 0.547 4.964 4.340 0.129 0.000 0.274 169 L C -1.784 175.117 176.870 0.053 0.000 1.007 169 L CA -2.545 52.327 54.840 0.053 0.000 0.818 169 L CB 2.233 44.372 42.059 0.135 0.000 1.284 169 L HN -0.046 nan 8.230 nan 0.000 0.424 170 P HA 0.053 nan 4.420 nan 0.000 0.268 170 P C -0.092 177.247 177.300 0.064 0.000 1.204 170 P CA -0.085 63.050 63.100 0.058 0.000 0.768 170 P CB 0.710 32.447 31.700 0.062 0.000 0.842 171 E N 1.458 121.683 120.200 0.041 0.000 2.463 171 E HA -0.191 4.236 4.350 0.129 0.000 0.201 171 E C 0.890 177.515 176.600 0.042 0.000 1.045 171 E CA 0.959 57.381 56.400 0.037 0.000 0.872 171 E CB -0.009 29.705 29.700 0.023 0.000 0.797 171 E HN 0.535 nan 8.360 nan 0.000 0.538 172 E N 0.581 120.811 120.200 0.049 0.000 2.216 172 E HA -0.102 4.325 4.350 0.129 0.000 0.192 172 E C 0.986 177.627 176.600 0.067 0.000 0.988 172 E CA 0.678 57.107 56.400 0.049 0.000 0.834 172 E CB 0.149 29.875 29.700 0.044 0.000 0.772 172 E HN 0.145 nan 8.360 nan 0.000 0.479 173 D N -0.312 120.144 120.400 0.093 0.000 2.349 173 D HA 0.039 4.757 4.640 0.129 0.000 0.224 173 D C 1.497 177.831 176.300 0.057 0.000 1.029 173 D CA 0.155 54.223 54.000 0.114 0.000 0.879 173 D CB 0.058 40.974 40.800 0.194 0.000 0.906 173 D HN 0.210 nan 8.370 nan 0.000 0.528 174 I N 1.416 122.014 120.570 0.046 0.000 2.127 174 I HA -0.221 4.026 4.170 0.129 0.000 0.241 174 I C -0.576 175.554 176.117 0.020 0.000 1.075 174 I CA 1.276 62.590 61.300 0.023 0.000 1.334 174 I CB -1.160 36.855 38.000 0.025 0.000 1.040 174 I HN 0.014 nan 8.210 nan 0.000 0.405 175 P HA -0.234 nan 4.420 nan 0.000 0.215 175 P C 1.503 178.852 177.300 0.081 0.000 1.157 175 P CA 1.742 64.875 63.100 0.054 0.000 0.874 175 P CB -0.126 31.604 31.700 0.050 0.000 0.790 176 H N -0.585 118.479 119.070 -0.010 0.000 2.353 176 H HA -0.045 4.589 4.556 0.130 0.000 0.300 176 H C 1.783 177.098 175.328 -0.021 0.000 1.090 176 H CA 1.444 57.485 56.048 -0.012 0.000 1.327 176 H CB -0.980 28.763 29.762 -0.032 0.000 1.383 176 H HN -0.012 nan 8.280 nan 0.000 0.508 177 L N -0.242 120.843 121.223 -0.230 0.000 2.072 177 L HA -0.084 4.334 4.340 0.129 0.000 0.205 177 L C 2.521 179.270 176.870 -0.202 0.000 1.079 177 L CA 1.433 56.069 54.840 -0.340 0.000 0.752 177 L CB -0.366 41.515 42.059 -0.297 0.000 0.906 177 L HN 0.207 nan 8.230 nan 0.000 0.436 178 K N 0.139 120.480 120.400 -0.098 0.000 2.097 178 K HA -0.258 4.140 4.320 0.129 0.000 0.206 178 K C 2.138 178.713 176.600 -0.041 0.000 1.049 178 K CA 1.552 57.803 56.287 -0.061 0.000 0.933 178 K CB -0.561 31.927 32.500 -0.019 0.000 0.717 178 K HN 0.240 nan 8.250 nan 0.000 0.442 179 Y N 0.509 120.741 120.300 -0.114 0.000 2.181 179 Y HA -0.105 4.523 4.550 0.129 0.000 0.288 179 Y C 1.547 177.378 175.900 -0.115 0.000 1.146 179 Y CA 1.688 59.735 58.100 -0.089 0.000 1.164 179 Y CB -0.079 38.341 38.460 -0.067 0.000 0.982 179 Y HN 0.026 nan 8.280 nan 0.000 0.515 180 L N -0.265 120.850 121.223 -0.180 0.000 2.093 180 L HA -0.181 4.236 4.340 0.129 0.000 0.208 180 L C 2.572 179.298 176.870 -0.239 0.000 1.085 180 L CA 1.835 56.522 54.840 -0.256 0.000 0.755 180 L CB -0.839 41.066 42.059 -0.257 0.000 0.904 180 L HN 0.424 nan 8.230 nan 0.000 0.435 181 T N -4.613 109.833 114.554 -0.180 0.000 2.896 181 T HA -0.125 4.303 4.350 0.129 0.000 0.263 181 T C 1.451 176.111 174.700 -0.067 0.000 1.050 181 T CA 0.980 63.019 62.100 -0.101 0.000 1.140 181 T CB -0.319 68.491 68.868 -0.096 0.000 0.877 181 T HN 0.123 nan 8.240 nan 0.000 0.457 182 D N 1.104 121.433 120.400 -0.119 0.000 2.218 182 D HA -0.053 4.665 4.640 0.129 0.000 0.204 182 D C 2.302 178.529 176.300 -0.121 0.000 0.976 182 D CA 0.713 54.658 54.000 -0.092 0.000 0.853 182 D CB -0.269 40.464 40.800 -0.111 0.000 0.939 182 D HN 0.265 nan 8.370 nan 0.000 0.481 183 Q N -0.646 119.005 119.800 -0.248 0.000 2.297 183 Q HA 0.083 4.501 4.340 0.129 0.000 0.204 183 Q C 2.020 177.995 176.000 -0.042 0.000 0.962 183 Q CA 0.589 56.250 55.803 -0.237 0.000 0.879 183 Q CB -0.075 28.432 28.738 -0.385 0.000 0.947 183 Q HN 0.445 nan 8.270 nan 0.000 0.462 184 M N -0.814 118.810 119.600 0.039 0.000 2.435 184 M HA -0.028 4.530 4.480 0.129 0.000 0.265 184 M C 1.809 178.368 176.300 0.433 0.000 1.104 184 M CA 1.514 56.995 55.300 0.301 0.000 1.140 184 M CB 0.005 32.781 32.600 0.293 0.000 1.372 184 M HN 0.156 nan 8.290 nan 0.000 0.456 185 T N -1.770 112.955 114.554 0.286 0.000 3.039 185 T HA 0.151 4.579 4.350 0.129 0.000 0.250 185 T C 1.109 175.979 174.700 0.284 0.000 1.052 185 T CA 0.085 62.361 62.100 0.295 0.000 1.125 185 T CB 0.095 69.087 68.868 0.208 0.000 0.908 185 T HN 0.273 nan 8.240 nan 0.000 0.473 186 R N 1.804 122.414 120.500 0.182 0.000 2.653 186 R HA 0.334 4.752 4.340 0.129 0.000 0.269 186 R C -3.091 173.230 176.300 0.036 0.000 1.603 186 R CA -1.662 54.540 56.100 0.170 0.000 1.671 186 R CB 1.051 31.439 30.300 0.147 0.000 1.300 186 R HN 0.270 nan 8.270 nan 0.000 0.668 187 P HA -0.102 nan 4.420 nan 0.000 0.261 187 P C 0.020 177.267 177.300 -0.089 0.000 1.173 187 P CA 0.534 63.571 63.100 -0.106 0.000 0.760 187 P CB 0.615 32.202 31.700 -0.189 0.000 0.783 188 D N 1.589 121.951 120.400 -0.063 0.000 2.369 188 D HA 0.108 4.825 4.640 0.129 0.000 0.211 188 D C 1.314 177.604 176.300 -0.016 0.000 1.077 188 D CA 0.410 54.397 54.000 -0.023 0.000 0.842 188 D CB -0.327 40.479 40.800 0.010 0.000 0.947 188 D HN 0.547 nan 8.370 nan 0.000 0.509 189 G N 0.532 109.313 108.800 -0.032 0.000 2.175 189 G HA2 -0.366 3.671 3.960 0.129 0.000 0.244 189 G HA3 -0.366 3.671 3.960 0.129 0.000 0.244 189 G C 1.231 176.134 174.900 0.007 0.000 0.982 189 G CA 0.894 45.982 45.100 -0.019 0.000 0.641 189 G HN 0.662 nan 8.290 nan 0.000 0.527 190 S N -0.265 115.451 115.700 0.027 0.000 2.402 190 S HA 0.321 4.869 4.470 0.129 0.000 0.229 190 S C 1.149 175.779 174.600 0.049 0.000 1.021 190 S CA 1.699 59.935 58.200 0.060 0.000 0.974 190 S CB -0.338 62.944 63.200 0.136 0.000 0.800 190 S HN 1.517 nan 8.310 nan 0.000 0.484 191 M N -0.215 119.402 119.600 0.028 0.000 2.644 191 M HA 0.502 5.059 4.480 0.129 0.000 0.273 191 M C -0.353 175.947 176.300 0.000 0.000 1.253 191 M CA -0.854 54.456 55.300 0.016 0.000 0.852 191 M CB 1.460 34.074 32.600 0.023 0.000 1.708 191 M HN 0.013 nan 8.290 nan 0.000 0.471 192 T N -1.069 113.488 114.554 0.005 0.000 2.726 192 T HA 0.289 4.717 4.350 0.129 0.000 0.294 192 T C 0.449 175.168 174.700 0.032 0.000 1.013 192 T CA -0.105 62.012 62.100 0.027 0.000 0.996 192 T CB 0.630 69.518 68.868 0.033 0.000 1.016 192 T HN 0.648 nan 8.240 nan 0.000 0.529 193 F N 1.508 121.421 119.950 -0.063 0.000 2.146 193 F HA 0.144 4.747 4.527 0.127 0.000 0.298 193 F C 2.537 178.264 175.800 -0.122 0.000 1.096 193 F CA 1.574 59.523 58.000 -0.085 0.000 1.275 193 F CB -0.909 38.052 39.000 -0.065 0.000 1.008 193 F HN 0.725 nan 8.300 nan 0.000 0.480 194 A N -0.029 122.809 122.820 0.030 0.000 1.978 194 A HA -0.220 4.177 4.320 0.129 0.000 0.220 194 A C 2.096 179.576 177.584 -0.174 0.000 1.170 194 A CA 2.049 54.038 52.037 -0.078 0.000 0.636 194 A CB -0.804 18.207 19.000 0.017 0.000 0.810 194 A HN 0.586 nan 8.150 nan 0.000 0.448 195 E N -0.654 119.470 120.200 -0.127 0.000 2.112 195 E HA 0.040 4.468 4.350 0.129 0.000 0.190 195 E C 2.311 178.815 176.600 -0.161 0.000 0.979 195 E CA 0.703 57.041 56.400 -0.103 0.000 0.814 195 E CB -0.205 29.469 29.700 -0.043 0.000 0.762 195 E HN 0.606 nan 8.360 nan 0.000 0.460 196 A N 1.690 124.365 122.820 -0.242 0.000 1.930 196 A HA -0.211 4.186 4.320 0.129 0.000 0.217 196 A C 2.026 179.360 177.584 -0.417 0.000 1.175 196 A CA 1.367 53.231 52.037 -0.289 0.000 0.627 196 A CB -0.311 18.485 19.000 -0.341 0.000 0.815 196 A HN 0.038 nan 8.150 nan 0.000 0.443 197 K N -0.466 119.548 120.400 -0.644 0.000 1.978 197 K HA -0.227 4.171 4.320 0.129 0.000 0.214 197 K C 1.953 178.213 176.600 -0.565 0.000 1.049 197 K CA 1.798 57.609 56.287 -0.794 0.000 0.939 197 K CB -0.226 31.745 32.500 -0.881 0.000 0.721 197 K HN 0.271 nan 8.250 nan 0.000 0.441 198 E N 0.517 120.518 120.200 -0.331 0.000 2.049 198 E HA -0.195 4.232 4.350 0.129 0.000 0.198 198 E C 1.839 178.419 176.600 -0.034 0.000 1.007 198 E CA 1.672 57.998 56.400 -0.122 0.000 0.809 198 E CB -0.624 29.044 29.700 -0.053 0.000 0.749 198 E HN 0.462 nan 8.360 nan 0.000 0.450 199 A N 0.271 123.066 122.820 -0.042 0.000 1.948 199 A HA -0.197 4.200 4.320 0.129 0.000 0.220 199 A C 2.215 179.848 177.584 0.081 0.000 1.177 199 A CA 1.620 53.686 52.037 0.048 0.000 0.636 199 A CB -0.603 18.425 19.000 0.047 0.000 0.815 199 A HN 0.281 nan 8.150 nan 0.000 0.449 200 L N -2.019 119.187 121.223 -0.028 0.000 2.072 200 L HA -0.031 4.386 4.340 0.129 0.000 0.205 200 L C 2.179 179.203 176.870 0.257 0.000 1.079 200 L CA 1.633 56.492 54.840 0.031 0.000 0.752 200 L CB -0.638 41.363 42.059 -0.097 0.000 0.906 200 L HN 0.449 nan 8.230 nan 0.000 0.436 201 Y N -0.312 120.028 120.300 0.067 0.000 2.373 201 Y HA -0.112 4.514 4.550 0.127 0.000 0.293 201 Y C 2.371 178.324 175.900 0.089 0.000 1.129 201 Y CA 0.567 58.713 58.100 0.075 0.000 1.226 201 Y CB -0.815 37.669 38.460 0.039 0.000 1.000 201 Y HN 0.282 nan 8.280 nan 0.000 0.549 202 D N -1.128 119.425 120.400 0.256 0.000 2.144 202 D HA -0.212 4.505 4.640 0.129 0.000 0.199 202 D C 2.036 178.451 176.300 0.192 0.000 0.984 202 D CA 1.110 55.219 54.000 0.181 0.000 0.834 202 D CB -0.570 40.322 40.800 0.153 0.000 0.955 202 D HN 0.414 nan 8.370 nan 0.000 0.465 203 Y N 0.845 121.226 120.300 0.135 0.000 2.242 203 Y HA -0.072 4.555 4.550 0.128 0.000 0.291 203 Y C 1.979 177.937 175.900 0.095 0.000 1.137 203 Y CA 1.188 59.365 58.100 0.128 0.000 1.181 203 Y CB -0.095 38.473 38.460 0.180 0.000 0.989 203 Y HN -0.084 nan 8.280 nan 0.000 0.527 204 L N -0.742 120.602 121.223 0.202 0.000 2.127 204 L HA -0.101 4.316 4.340 0.129 0.000 0.203 204 L C 2.304 179.162 176.870 -0.019 0.000 1.080 204 L CA 0.761 55.650 54.840 0.081 0.000 0.768 204 L CB -0.481 41.680 42.059 0.170 0.000 0.924 204 L HN 0.187 nan 8.230 nan 0.000 0.444 205 I N 0.534 121.106 120.570 0.004 0.000 2.113 205 I HA -0.286 3.962 4.170 0.129 0.000 0.242 205 I C -0.244 175.845 176.117 -0.046 0.000 1.057 205 I CA 1.901 63.186 61.300 -0.025 0.000 1.314 205 I CB -1.569 36.431 38.000 -0.001 0.000 1.022 205 I HN 0.261 nan 8.210 nan 0.000 0.408 206 P HA -0.158 nan 4.420 nan 0.000 0.216 206 P C 1.912 179.157 177.300 -0.091 0.000 1.153 206 P CA 1.804 64.860 63.100 -0.074 0.000 0.848 206 P CB -0.143 31.504 31.700 -0.089 0.000 0.787 207 I N -0.756 119.734 120.570 -0.133 0.000 2.226 207 I HA -0.220 4.028 4.170 0.129 0.000 0.245 207 I C 2.691 178.764 176.117 -0.073 0.000 1.100 207 I CA 1.335 62.561 61.300 -0.124 0.000 1.374 207 I CB -0.631 37.264 38.000 -0.175 0.000 1.057 207 I HN -0.163 nan 8.210 nan 0.000 0.413 208 I N 0.352 120.886 120.570 -0.059 0.000 2.179 208 I HA -0.256 3.991 4.170 0.129 0.000 0.242 208 I C 2.719 178.813 176.117 -0.038 0.000 1.088 208 I CA 1.260 62.535 61.300 -0.041 0.000 1.357 208 I CB -0.348 37.628 38.000 -0.040 0.000 1.051 208 I HN 0.214 nan 8.210 nan 0.000 0.409 209 E N 0.426 120.602 120.200 -0.040 0.000 2.085 209 E HA -0.261 4.166 4.350 0.129 0.000 0.194 209 E C 2.133 178.713 176.600 -0.033 0.000 0.994 209 E CA 1.380 57.760 56.400 -0.033 0.000 0.801 209 E CB -0.131 29.550 29.700 -0.031 0.000 0.743 209 E HN 0.366 nan 8.360 nan 0.000 0.453 210 Q N 0.454 120.230 119.800 -0.041 0.000 2.014 210 Q HA -0.117 4.300 4.340 0.129 0.000 0.207 210 Q C 2.089 178.068 176.000 -0.035 0.000 0.993 210 Q CA 1.729 57.508 55.803 -0.040 0.000 0.850 210 Q CB -0.256 28.451 28.738 -0.051 0.000 0.916 210 Q HN 0.033 nan 8.270 nan 0.000 0.417 211 R N -0.663 119.815 120.500 -0.036 0.000 2.323 211 R HA 0.103 4.521 4.340 0.129 0.000 0.198 211 R C 1.922 178.206 176.300 -0.026 0.000 0.988 211 R CA 0.439 56.520 56.100 -0.031 0.000 1.041 211 R CB 0.140 30.420 30.300 -0.033 0.000 0.926 211 R HN 0.103 nan 8.270 nan 0.000 0.476 212 R N -0.459 120.026 120.500 -0.025 0.000 2.112 212 R HA 0.010 4.427 4.340 0.129 0.000 0.216 212 R C 1.678 177.966 176.300 -0.019 0.000 1.080 212 R CA 0.737 56.825 56.100 -0.021 0.000 0.996 212 R CB 0.218 30.506 30.300 -0.020 0.000 0.902 212 R HN 0.196 nan 8.270 nan 0.000 0.449 213 Q N 1.036 120.824 119.800 -0.021 0.000 1.969 213 Q HA -0.061 4.357 4.340 0.129 0.000 0.198 213 Q C 0.340 176.329 176.000 -0.019 0.000 0.978 213 Q CA 1.337 57.129 55.803 -0.019 0.000 0.830 213 Q CB -0.078 28.649 28.738 -0.019 0.000 0.896 213 Q HN 0.147 nan 8.270 nan 0.000 0.431 214 K N 1.977 122.364 120.400 -0.021 0.000 2.457 214 K HA 0.361 4.758 4.320 0.129 0.000 0.226 214 K C -2.471 174.116 176.600 -0.022 0.000 1.114 214 K CA -1.606 54.669 56.287 -0.020 0.000 1.089 214 K CB 0.738 33.226 32.500 -0.021 0.000 1.739 214 K HN 0.024 nan 8.250 nan 0.000 0.473 215 P HA -0.084 nan 4.420 nan 0.000 0.265 215 P C 0.185 177.471 177.300 -0.023 0.000 1.187 215 P CA 0.206 63.293 63.100 -0.022 0.000 0.766 215 P CB 0.933 32.621 31.700 -0.020 0.000 0.820 216 G N 0.616 109.400 108.800 -0.026 0.000 3.107 216 G HA2 0.481 4.519 3.960 0.129 0.000 0.232 216 G HA3 0.481 4.519 3.960 0.129 0.000 0.232 216 G C 0.198 175.080 174.900 -0.029 0.000 1.339 216 G CA -0.350 44.734 45.100 -0.027 0.000 1.033 216 G HN 0.394 nan 8.290 nan 0.000 0.567 217 T N -1.048 113.487 114.554 -0.032 0.000 3.054 217 T HA 0.203 4.630 4.350 0.129 0.000 0.255 217 T C 0.452 175.127 174.700 -0.042 0.000 1.035 217 T CA 0.148 62.229 62.100 -0.033 0.000 0.941 217 T CB -0.216 68.634 68.868 -0.030 0.000 1.026 217 T HN 0.610 nan 8.240 nan 0.000 0.533 218 D N 1.289 121.659 120.400 -0.049 0.000 2.371 218 D HA 0.292 5.010 4.640 0.129 0.000 0.242 218 D C 1.464 177.725 176.300 -0.065 0.000 1.218 218 D CA -0.093 53.867 54.000 -0.068 0.000 0.945 218 D CB 1.293 42.048 40.800 -0.074 0.000 1.137 218 D HN 0.090 nan 8.370 nan 0.000 0.464 219 A N 1.238 124.005 122.820 -0.088 0.000 1.908 219 A HA -0.164 4.233 4.320 0.129 0.000 0.218 219 A C 2.402 179.962 177.584 -0.041 0.000 1.181 219 A CA 1.193 53.190 52.037 -0.067 0.000 0.627 219 A CB -0.784 18.159 19.000 -0.096 0.000 0.818 219 A HN 0.679 nan 8.150 nan 0.000 0.445 220 I N -0.399 120.142 120.570 -0.048 0.000 2.226 220 I HA -0.223 4.024 4.170 0.129 0.000 0.245 220 I C 2.654 178.758 176.117 -0.021 0.000 1.100 220 I CA 1.457 62.744 61.300 -0.021 0.000 1.374 220 I CB -0.353 37.636 38.000 -0.017 0.000 1.057 220 I HN 0.237 nan 8.210 nan 0.000 0.413 221 S N 0.798 116.480 115.700 -0.030 0.000 2.368 221 S HA -0.092 4.455 4.470 0.129 0.000 0.224 221 S C 1.994 176.582 174.600 -0.021 0.000 1.029 221 S CA 1.009 59.193 58.200 -0.026 0.000 0.988 221 S CB -0.113 63.069 63.200 -0.030 0.000 0.838 221 S HN 0.256 nan 8.310 nan 0.000 0.462 222 I N 1.322 121.879 120.570 -0.022 0.000 2.179 222 I HA -0.095 4.153 4.170 0.129 0.000 0.242 222 I C 2.314 178.426 176.117 -0.009 0.000 1.088 222 I CA 1.021 62.311 61.300 -0.017 0.000 1.357 222 I CB -1.682 36.307 38.000 -0.019 0.000 1.051 222 I HN 0.143 nan 8.210 nan 0.000 0.409 223 V N 1.460 121.373 119.914 -0.002 0.000 2.261 223 V HA -0.238 3.959 4.120 0.129 0.000 0.246 223 V C 2.847 178.948 176.094 0.012 0.000 1.047 223 V CA 1.902 64.210 62.300 0.013 0.000 1.015 223 V CB -1.155 30.682 31.823 0.024 0.000 0.642 223 V HN 0.466 nan 8.190 nan 0.000 0.446 224 A N 0.135 122.957 122.820 0.002 0.000 2.024 224 A HA -0.242 4.155 4.320 0.129 0.000 0.220 224 A C 1.759 179.341 177.584 -0.005 0.000 1.164 224 A CA 2.380 54.415 52.037 -0.002 0.000 0.643 224 A CB -0.665 18.328 19.000 -0.012 0.000 0.806 224 A HN 0.719 nan 8.150 nan 0.000 0.451 225 N N -0.988 117.707 118.700 -0.009 0.000 2.204 225 N HA 0.302 5.120 4.740 0.129 0.000 0.219 225 N C 0.782 176.283 175.510 -0.015 0.000 1.151 225 N CA 0.319 53.361 53.050 -0.012 0.000 0.867 225 N CB 0.618 39.096 38.487 -0.016 0.000 1.043 225 N HN 0.424 nan 8.380 nan 0.000 0.516 226 G N -0.116 108.676 108.800 -0.013 0.000 2.653 226 G HA2 0.209 4.247 3.960 0.129 0.000 0.265 226 G HA3 0.209 4.247 3.960 0.129 0.000 0.265 226 G C -0.359 174.519 174.900 -0.035 0.000 1.237 226 G CA -0.226 44.861 45.100 -0.023 0.000 0.946 226 G HN 0.035 nan 8.290 nan 0.000 0.522 227 Q N -1.037 118.728 119.800 -0.057 0.000 2.356 227 Q HA 0.506 4.924 4.340 0.129 0.000 0.270 227 Q C -0.966 174.952 176.000 -0.137 0.000 1.058 227 Q CA -0.732 55.024 55.803 -0.078 0.000 0.802 227 Q CB 2.580 31.281 28.738 -0.062 0.000 1.303 227 Q HN 0.583 nan 8.270 nan 0.000 0.444 228 V N -0.385 119.420 119.914 -0.181 0.000 2.808 228 V HA 0.531 4.728 4.120 0.129 0.000 0.308 228 V C -0.373 175.584 176.094 -0.229 0.000 1.099 228 V CA -0.908 61.202 62.300 -0.316 0.000 0.920 228 V CB 1.820 33.242 31.823 -0.669 0.000 1.014 228 V HN 0.864 nan 8.190 nan 0.000 0.425 229 N N 2.397 120.978 118.700 -0.199 0.000 2.818 229 N HA -0.128 4.689 4.740 0.129 0.000 0.250 229 N C 1.207 176.673 175.510 -0.074 0.000 1.108 229 N CA 2.170 55.153 53.050 -0.112 0.000 0.745 229 N CB -1.508 36.932 38.487 -0.079 0.000 1.104 229 N HN 2.348 nan 8.380 nan 0.000 0.557 230 G N -1.371 107.381 108.800 -0.079 0.000 2.184 230 G HA2 -0.402 3.635 3.960 0.129 0.000 0.264 230 G HA3 -0.402 3.635 3.960 0.129 0.000 0.264 230 G C 0.174 175.046 174.900 -0.047 0.000 0.975 230 G CA 1.293 46.360 45.100 -0.055 0.000 0.642 230 G HN 0.919 nan 8.290 nan 0.000 0.536 231 R N -0.729 119.739 120.500 -0.053 0.000 2.939 231 R HA 0.823 5.240 4.340 0.129 0.000 0.254 231 R C -3.194 173.080 176.300 -0.042 0.000 1.123 231 R CA -2.425 53.653 56.100 -0.038 0.000 1.020 231 R CB -0.041 30.245 30.300 -0.023 0.000 1.206 231 R HN 0.092 nan 8.270 nan 0.000 0.491 232 P HA 0.122 nan 4.420 nan 0.000 0.271 232 P C -0.498 176.796 177.300 -0.010 0.000 1.218 232 P CA -0.378 62.709 63.100 -0.021 0.000 0.780 232 P CB 0.506 32.199 31.700 -0.012 0.000 0.901 233 I N 1.716 122.284 120.570 -0.003 0.000 2.575 233 I HA 0.150 4.397 4.170 0.129 0.000 0.285 233 I C 0.685 176.828 176.117 0.043 0.000 1.085 233 I CA -0.076 61.246 61.300 0.037 0.000 1.403 233 I CB 0.817 38.848 38.000 0.052 0.000 1.409 233 I HN 0.397 nan 8.210 nan 0.000 0.557 234 T N 2.499 117.093 114.554 0.066 0.000 2.828 234 T HA 0.171 4.598 4.350 0.129 0.000 0.290 234 T C 1.053 175.765 174.700 0.020 0.000 1.019 234 T CA -0.264 61.859 62.100 0.038 0.000 1.031 234 T CB 1.483 70.375 68.868 0.041 0.000 1.001 234 T HN 0.693 nan 8.240 nan 0.000 0.531 235 S N 0.470 116.168 115.700 -0.002 0.000 2.368 235 S HA -0.110 4.437 4.470 0.129 0.000 0.225 235 S C 1.672 176.241 174.600 -0.052 0.000 1.030 235 S CA 1.537 59.722 58.200 -0.024 0.000 0.999 235 S CB -0.700 62.483 63.200 -0.028 0.000 0.844 235 S HN 0.964 nan 8.310 nan 0.000 0.459 236 D N 1.036 121.407 120.400 -0.050 0.000 2.092 236 D HA -0.151 4.566 4.640 0.129 0.000 0.193 236 D C 1.921 178.164 176.300 -0.094 0.000 0.994 236 D CA 1.482 55.430 54.000 -0.087 0.000 0.828 236 D CB -0.143 40.630 40.800 -0.046 0.000 0.963 236 D HN 0.446 nan 8.370 nan 0.000 0.450 237 E N -0.280 119.907 120.200 -0.022 0.000 2.110 237 E HA -0.149 4.278 4.350 0.129 0.000 0.193 237 E C 2.124 178.733 176.600 0.015 0.000 0.988 237 E CA 0.978 57.383 56.400 0.008 0.000 0.804 237 E CB -0.185 29.610 29.700 0.157 0.000 0.745 237 E HN 0.381 nan 8.360 nan 0.000 0.458 238 A N 1.601 124.428 122.820 0.012 0.000 1.902 238 A HA -0.230 4.168 4.320 0.129 0.000 0.217 238 A C 2.071 179.627 177.584 -0.046 0.000 1.181 238 A CA 1.553 53.593 52.037 0.005 0.000 0.623 238 A CB -0.345 18.654 19.000 -0.002 0.000 0.818 238 A HN 0.064 nan 8.150 nan 0.000 0.443 239 K N -0.398 119.926 120.400 -0.127 0.000 2.057 239 K HA -0.118 4.280 4.320 0.129 0.000 0.206 239 K C 2.216 178.643 176.600 -0.288 0.000 1.050 239 K CA 1.270 57.409 56.287 -0.246 0.000 0.935 239 K CB -0.158 32.092 32.500 -0.416 0.000 0.715 239 K HN 0.427 nan 8.250 nan 0.000 0.439 240 R N 0.038 120.395 120.500 -0.239 0.000 2.115 240 R HA -0.043 4.375 4.340 0.129 0.000 0.230 240 R C 2.366 178.699 176.300 0.055 0.000 1.111 240 R CA 1.477 57.578 56.100 0.002 0.000 0.976 240 R CB -0.160 30.152 30.300 0.021 0.000 0.870 240 R HN 0.276 nan 8.270 nan 0.000 0.445 241 M N -0.325 119.273 119.600 -0.004 0.000 2.156 241 M HA -0.148 4.409 4.480 0.129 0.000 0.264 241 M C 1.814 178.089 176.300 -0.041 0.000 1.067 241 M CA 1.448 56.750 55.300 0.003 0.000 1.131 241 M CB 0.099 32.735 32.600 0.060 0.000 1.368 241 M HN 0.245 nan 8.290 nan 0.000 0.416 242 C N 0.111 119.399 119.300 -0.021 0.000 2.446 242 C HA 0.008 4.546 4.460 0.129 0.000 0.279 242 C C 2.697 177.660 174.990 -0.045 0.000 1.366 242 C CA 0.822 59.845 59.018 0.007 0.000 1.763 242 C CB -1.818 25.949 27.740 0.045 0.000 1.929 242 C HN 0.788 nan 8.230 nan 0.000 0.509 243 G N 0.537 109.292 108.800 -0.075 0.000 2.422 243 G HA2 -0.197 3.840 3.960 0.129 0.000 0.218 243 G HA3 -0.197 3.840 3.960 0.129 0.000 0.218 243 G C 1.513 175.926 174.900 -0.811 0.000 1.146 243 G CA 0.901 45.889 45.100 -0.187 0.000 0.769 243 G HN 0.460 nan 8.290 nan 0.000 0.547 244 L N 0.544 121.150 121.223 -1.028 0.000 2.056 244 L HA 0.157 4.574 4.340 0.129 0.000 0.207 244 L C 2.665 179.304 176.870 -0.385 0.000 1.078 244 L CA 1.276 55.579 54.840 -0.895 0.000 0.749 244 L CB -0.530 41.225 42.059 -0.505 0.000 0.901 244 L HN 0.210 nan 8.230 nan 0.000 0.433 245 L N -1.355 119.740 121.223 -0.213 0.000 2.083 245 L HA -0.232 4.186 4.340 0.129 0.000 0.209 245 L C 2.521 179.218 176.870 -0.290 0.000 1.083 245 L CA 0.696 55.489 54.840 -0.077 0.000 0.752 245 L CB -0.714 41.434 42.059 0.148 0.000 0.899 245 L HN 0.297 nan 8.230 nan 0.000 0.433 246 L N -0.481 120.595 121.223 -0.246 0.000 2.017 246 L HA -0.190 4.228 4.340 0.129 0.000 0.208 246 L C 2.607 179.208 176.870 -0.449 0.000 1.073 246 L CA 1.603 56.216 54.840 -0.377 0.000 0.745 246 L CB -0.846 41.128 42.059 -0.142 0.000 0.894 246 L HN 0.142 nan 8.230 nan 0.000 0.432 247 V N -0.021 119.705 119.914 -0.314 0.000 2.295 247 V HA -0.192 4.005 4.120 0.129 0.000 0.246 247 V C 2.676 178.656 176.094 -0.189 0.000 1.049 247 V CA 1.833 64.019 62.300 -0.190 0.000 1.024 247 V CB -1.287 30.492 31.823 -0.072 0.000 0.648 247 V HN 0.549 nan 8.190 nan 0.000 0.447 248 G N -0.059 108.614 108.800 -0.211 0.000 2.422 248 G HA2 -0.128 3.910 3.960 0.129 0.000 0.218 248 G HA3 -0.128 3.910 3.960 0.129 0.000 0.218 248 G C 1.589 176.330 174.900 -0.264 0.000 1.146 248 G CA 0.927 45.934 45.100 -0.156 0.000 0.769 248 G HN 0.593 nan 8.290 nan 0.000 0.547 249 G N 0.280 108.720 108.800 -0.599 0.000 2.403 249 G HA2 0.045 4.082 3.960 0.129 0.000 0.216 249 G HA3 0.045 4.082 3.960 0.129 0.000 0.216 249 G C 1.441 176.044 174.900 -0.496 0.000 1.154 249 G CA 0.589 45.190 45.100 -0.833 0.000 0.784 249 G HN 0.326 nan 8.290 nan 0.000 0.538 250 L N -0.324 120.640 121.223 -0.433 0.000 2.590 250 L HA 0.368 4.786 4.340 0.129 0.000 0.227 250 L C 0.613 177.411 176.870 -0.120 0.000 1.099 250 L CA 0.525 55.231 54.840 -0.222 0.000 0.872 250 L CB 0.640 42.579 42.059 -0.200 0.000 1.088 250 L HN 0.056 nan 8.230 nan 0.000 0.479 251 D N -1.814 118.525 120.400 -0.102 0.000 2.819 251 D HA 0.144 4.861 4.640 0.129 0.000 0.326 251 D C 1.092 177.401 176.300 0.015 0.000 1.408 251 D CA 0.784 54.766 54.000 -0.029 0.000 0.811 251 D CB 0.560 41.354 40.800 -0.009 0.000 1.148 251 D HN 0.255 nan 8.370 nan 0.000 0.457 252 T N -4.471 110.094 114.554 0.018 0.000 3.429 252 T HA 0.066 4.494 4.350 0.129 0.000 0.212 252 T C 1.794 176.573 174.700 0.132 0.000 0.980 252 T CA 0.442 62.584 62.100 0.069 0.000 1.201 252 T CB -0.489 68.412 68.868 0.055 0.000 1.289 252 T HN -0.171 nan 8.240 nan 0.000 0.346 253 V N 2.366 122.358 119.914 0.128 0.000 2.469 253 V HA -0.148 4.050 4.120 0.129 0.000 0.251 253 V C 2.895 179.115 176.094 0.210 0.000 1.064 253 V CA 1.618 64.048 62.300 0.216 0.000 1.066 253 V CB -0.966 30.956 31.823 0.166 0.000 0.667 253 V HN 0.437 nan 8.190 nan 0.000 0.461 254 V N 0.759 120.737 119.914 0.106 0.000 2.282 254 V HA -0.290 3.907 4.120 0.129 0.000 0.249 254 V C 2.309 178.438 176.094 0.058 0.000 1.057 254 V CA 2.415 64.754 62.300 0.065 0.000 1.032 254 V CB -0.701 31.125 31.823 0.007 0.000 0.645 254 V HN 0.634 nan 8.190 nan 0.000 0.447 255 N N -0.736 117.999 118.700 0.059 0.000 2.173 255 N HA -0.106 4.712 4.740 0.129 0.000 0.184 255 N C 1.786 177.288 175.510 -0.013 0.000 1.025 255 N CA 1.386 54.419 53.050 -0.028 0.000 0.852 255 N CB -0.424 38.079 38.487 0.026 0.000 0.998 255 N HN 0.491 nan 8.380 nan 0.000 0.427 256 F N 2.466 122.474 119.950 0.097 0.000 2.161 256 F HA -0.072 4.537 4.527 0.137 0.000 0.300 256 F C 2.126 178.014 175.800 0.147 0.000 1.089 256 F CA 0.972 59.098 58.000 0.209 0.000 1.282 256 F CB -0.377 38.715 39.000 0.154 0.000 1.010 256 F HN -0.075 nan 8.300 nan 0.000 0.485 257 L N -0.731 120.529 121.223 0.062 0.000 2.079 257 L HA -0.264 4.153 4.340 0.129 0.000 0.210 257 L C 2.497 179.350 176.870 -0.028 0.000 1.081 257 L CA 1.554 56.433 54.840 0.065 0.000 0.752 257 L CB -0.856 41.411 42.059 0.348 0.000 0.896 257 L HN 0.081 nan 8.230 nan 0.000 0.433 258 S N -0.725 114.948 115.700 -0.046 0.000 2.406 258 S HA -0.083 4.465 4.470 0.129 0.000 0.228 258 S C 1.729 176.082 174.600 -0.411 0.000 1.020 258 S CA 0.949 59.058 58.200 -0.152 0.000 0.965 258 S CB -0.252 62.854 63.200 -0.156 0.000 0.798 258 S HN 0.211 nan 8.310 nan 0.000 0.488 259 F N 2.435 122.119 119.950 -0.444 0.000 2.102 259 F HA -0.088 4.514 4.527 0.125 0.000 0.298 259 F C 2.748 177.951 175.800 -0.994 0.000 1.105 259 F CA 0.936 58.521 58.000 -0.693 0.000 1.239 259 F CB -1.033 37.563 39.000 -0.675 0.000 0.991 259 F HN 0.103 nan 8.300 nan 0.000 0.474 260 S N -0.423 114.844 115.700 -0.721 0.000 2.368 260 S HA -0.217 4.331 4.470 0.129 0.000 0.224 260 S C 1.958 176.346 174.600 -0.354 0.000 1.029 260 S CA 1.333 59.192 58.200 -0.568 0.000 0.988 260 S CB -0.405 62.508 63.200 -0.479 0.000 0.838 260 S HN 0.250 nan 8.310 nan 0.000 0.462 261 M N 1.811 121.109 119.600 -0.502 0.000 2.254 261 M HA 0.055 4.612 4.480 0.129 0.000 0.265 261 M C 1.914 177.965 176.300 -0.415 0.000 1.066 261 M CA 1.207 56.122 55.300 -0.640 0.000 1.123 261 M CB -0.449 31.241 32.600 -1.517 0.000 1.388 261 M HN 0.346 nan 8.290 nan 0.000 0.425 262 E N -0.947 119.038 120.200 -0.359 0.000 2.051 262 E HA -0.252 4.176 4.350 0.129 0.000 0.192 262 E C 1.932 178.434 176.600 -0.165 0.000 0.991 262 E CA 1.513 57.791 56.400 -0.203 0.000 0.799 262 E CB -0.372 29.260 29.700 -0.115 0.000 0.748 262 E HN 0.515 nan 8.360 nan 0.000 0.449 263 F N 1.374 121.125 119.950 -0.331 0.000 2.075 263 F HA -0.171 4.433 4.527 0.130 0.000 0.297 263 F C 1.957 177.636 175.800 -0.202 0.000 1.113 263 F CA 1.497 59.350 58.000 -0.245 0.000 1.218 263 F CB -0.313 38.512 39.000 -0.292 0.000 0.984 263 F HN 0.000 nan 8.300 nan 0.000 0.472 264 L N 0.162 121.209 121.223 -0.293 0.000 2.131 264 L HA -0.175 4.242 4.340 0.129 0.000 0.210 264 L C 2.701 179.231 176.870 -0.567 0.000 1.092 264 L CA 1.022 55.646 54.840 -0.360 0.000 0.759 264 L CB -1.122 40.923 42.059 -0.024 0.000 0.903 264 L HN 0.294 nan 8.230 nan 0.000 0.435 265 A N -0.250 122.291 122.820 -0.464 0.000 2.178 265 A HA -0.157 4.241 4.320 0.129 0.000 0.218 265 A C 2.068 179.398 177.584 -0.423 0.000 1.157 265 A CA 1.372 53.090 52.037 -0.532 0.000 0.689 265 A CB -0.199 18.725 19.000 -0.126 0.000 0.787 265 A HN 0.402 nan 8.150 nan 0.000 0.465 266 K N -0.600 119.546 120.400 -0.424 0.000 2.402 266 K HA 0.158 4.556 4.320 0.129 0.000 0.204 266 K C -0.389 175.969 176.600 -0.403 0.000 1.056 266 K CA 0.207 56.291 56.287 -0.339 0.000 1.069 266 K CB 0.850 33.199 32.500 -0.252 0.000 0.888 266 K HN 0.268 nan 8.250 nan 0.000 0.546 267 S N 2.346 117.709 115.700 -0.562 0.000 2.252 267 S HA 0.213 4.761 4.470 0.129 0.000 0.180 267 S C -2.334 172.119 174.600 -0.245 0.000 1.534 267 S CA -1.091 56.833 58.200 -0.461 0.000 1.141 267 S CB 1.157 63.790 63.200 -0.944 0.000 1.122 267 S HN -0.045 nan 8.310 nan 0.000 0.475 268 P HA -0.125 nan 4.420 nan 0.000 0.216 268 P C 1.312 178.586 177.300 -0.044 0.000 1.150 268 P CA 1.016 64.038 63.100 -0.129 0.000 0.837 268 P CB 0.303 31.940 31.700 -0.106 0.000 0.786 269 E N -1.798 118.393 120.200 -0.015 0.000 2.106 269 E HA -0.203 4.225 4.350 0.129 0.000 0.192 269 E C 1.804 178.395 176.600 -0.014 0.000 0.984 269 E CA 0.915 57.304 56.400 -0.018 0.000 0.806 269 E CB -0.294 29.381 29.700 -0.042 0.000 0.750 269 E HN 0.381 nan 8.360 nan 0.000 0.458 270 H N -0.407 118.651 119.070 -0.018 0.000 2.428 270 H HA 0.042 4.674 4.556 0.128 0.000 0.296 270 H C 1.993 177.482 175.328 0.268 0.000 1.062 270 H CA 1.165 57.289 56.048 0.127 0.000 1.350 270 H CB 0.208 30.013 29.762 0.072 0.000 1.403 270 H HN 0.015 nan 8.280 nan 0.000 0.533 271 R N 0.053 120.681 120.500 0.213 0.000 2.061 271 R HA -0.158 4.260 4.340 0.129 0.000 0.230 271 R C 2.224 178.606 176.300 0.137 0.000 1.140 271 R CA 1.365 57.562 56.100 0.161 0.000 0.940 271 R CB -0.270 30.056 30.300 0.043 0.000 0.839 271 R HN 0.224 nan 8.270 nan 0.000 0.429 272 Q N 1.392 121.243 119.800 0.085 0.000 2.173 272 Q HA -0.228 4.190 4.340 0.129 0.000 0.208 272 Q C 1.742 177.789 176.000 0.078 0.000 0.989 272 Q CA 1.852 57.693 55.803 0.063 0.000 0.872 272 Q CB -0.185 28.572 28.738 0.033 0.000 0.909 272 Q HN 0.379 nan 8.270 nan 0.000 0.420 273 E N -0.911 119.356 120.200 0.111 0.000 2.077 273 E HA -0.146 4.282 4.350 0.129 0.000 0.193 273 E C 1.745 178.421 176.600 0.127 0.000 0.989 273 E CA 1.114 57.592 56.400 0.130 0.000 0.800 273 E CB -0.064 29.756 29.700 0.200 0.000 0.746 273 E HN 0.455 nan 8.360 nan 0.000 0.452 274 L N 0.383 121.688 121.223 0.138 0.000 2.270 274 L HA -0.032 4.386 4.340 0.129 0.000 0.210 274 L C 2.400 179.304 176.870 0.058 0.000 1.104 274 L CA 0.230 55.107 54.840 0.062 0.000 0.804 274 L CB -0.187 41.890 42.059 0.030 0.000 0.937 274 L HN 0.197 nan 8.230 nan 0.000 0.450 275 I N 0.140 120.754 120.570 0.073 0.000 2.142 275 I HA -0.268 3.980 4.170 0.129 0.000 0.240 275 I C 2.490 178.632 176.117 0.043 0.000 1.078 275 I CA 1.502 62.837 61.300 0.057 0.000 1.343 275 I CB -0.106 37.929 38.000 0.059 0.000 1.046 275 I HN 0.277 nan 8.210 nan 0.000 0.405 276 E N 0.406 120.633 120.200 0.045 0.000 2.072 276 E HA -0.076 4.351 4.350 0.129 0.000 0.190 276 E C 0.732 177.353 176.600 0.034 0.000 0.982 276 E CA 0.698 57.120 56.400 0.036 0.000 0.803 276 E CB 0.152 29.874 29.700 0.036 0.000 0.755 276 E HN 0.299 nan 8.360 nan 0.000 0.453 277 R N 1.139 121.662 120.500 0.039 0.000 3.057 277 R HA 0.151 4.568 4.340 0.129 0.000 0.291 277 R C -2.064 174.251 176.300 0.024 0.000 1.394 277 R CA -1.457 54.663 56.100 0.034 0.000 1.630 277 R CB 0.528 30.853 30.300 0.042 0.000 1.268 277 R HN 0.112 nan 8.270 nan 0.000 0.621 278 P HA -0.225 nan 4.420 nan 0.000 0.220 278 P C 1.096 178.402 177.300 0.009 0.000 1.144 278 P CA 1.194 64.303 63.100 0.014 0.000 0.800 278 P CB 0.267 31.979 31.700 0.019 0.000 0.772 279 E N 0.830 121.038 120.200 0.014 0.000 2.338 279 E HA -0.171 4.257 4.350 0.129 0.000 0.197 279 E C 1.649 178.255 176.600 0.010 0.000 1.007 279 E CA 0.771 57.180 56.400 0.015 0.000 0.849 279 E CB -0.452 29.259 29.700 0.020 0.000 0.774 279 E HN 0.297 nan 8.360 nan 0.000 0.506 280 R N 0.229 120.729 120.500 -0.000 0.000 2.240 280 R HA 0.185 4.602 4.340 0.129 0.000 0.203 280 R C 2.483 178.733 176.300 -0.082 0.000 1.011 280 R CA 0.428 56.517 56.100 -0.019 0.000 1.007 280 R CB -0.206 30.092 30.300 -0.004 0.000 0.911 280 R HN 0.232 nan 8.270 nan 0.000 0.468 281 I N 1.666 122.191 120.570 -0.076 0.000 2.194 281 I HA -0.245 4.003 4.170 0.129 0.000 0.246 281 I C -0.778 175.305 176.117 -0.057 0.000 1.093 281 I CA 1.606 62.849 61.300 -0.095 0.000 1.355 281 I CB -1.111 36.870 38.000 -0.031 0.000 1.046 281 I HN 0.061 nan 8.210 nan 0.000 0.413 282 P HA -0.136 nan 4.420 nan 0.000 0.217 282 P C 1.408 178.724 177.300 0.027 0.000 1.150 282 P CA 1.663 64.779 63.100 0.026 0.000 0.832 282 P CB -0.003 31.719 31.700 0.037 0.000 0.787 283 A N 0.074 122.899 122.820 0.007 0.000 1.897 283 A HA -0.011 4.386 4.320 0.129 0.000 0.215 283 A C 2.316 179.908 177.584 0.013 0.000 1.181 283 A CA 1.789 53.846 52.037 0.035 0.000 0.620 283 A CB -1.552 17.478 19.000 0.050 0.000 0.821 283 A HN 0.175 nan 8.150 nan 0.000 0.443 284 A N -0.926 121.797 122.820 -0.162 0.000 1.933 284 A HA -0.212 4.185 4.320 0.129 0.000 0.218 284 A C 2.384 179.929 177.584 -0.066 0.000 1.175 284 A CA 1.698 53.488 52.037 -0.412 0.000 0.628 284 A CB -1.419 16.909 19.000 -1.120 0.000 0.814 284 A HN 0.855 nan 8.150 nan 0.000 0.444 285 C N -0.649 118.649 119.300 -0.003 0.000 2.432 285 C HA -0.103 4.435 4.460 0.129 0.000 0.277 285 C C 2.578 177.649 174.990 0.136 0.000 1.249 285 C CA 1.799 60.887 59.018 0.116 0.000 1.725 285 C CB -0.990 26.821 27.740 0.118 0.000 2.028 285 C HN 0.687 nan 8.230 nan 0.000 0.477 286 E N 0.711 120.979 120.200 0.114 0.000 2.072 286 E HA -0.194 4.234 4.350 0.129 0.000 0.191 286 E C 2.052 178.706 176.600 0.091 0.000 0.985 286 E CA 1.857 58.332 56.400 0.125 0.000 0.801 286 E CB -0.360 29.442 29.700 0.169 0.000 0.750 286 E HN 0.778 nan 8.360 nan 0.000 0.452 287 E N -0.033 120.243 120.200 0.126 0.000 2.106 287 E HA -0.123 4.304 4.350 0.129 0.000 0.192 287 E C 1.874 178.505 176.600 0.051 0.000 0.984 287 E CA 1.119 57.583 56.400 0.108 0.000 0.806 287 E CB -0.300 29.526 29.700 0.210 0.000 0.750 287 E HN 0.352 nan 8.360 nan 0.000 0.458 288 L N -0.055 121.271 121.223 0.171 0.000 2.141 288 L HA -0.082 4.335 4.340 0.129 0.000 0.209 288 L C 2.395 179.507 176.870 0.404 0.000 1.094 288 L CA 0.629 55.642 54.840 0.289 0.000 0.763 288 L CB -0.262 42.043 42.059 0.409 0.000 0.908 288 L HN 0.215 nan 8.230 nan 0.000 0.437 289 L N -0.623 120.704 121.223 0.173 0.000 2.201 289 L HA -0.172 4.246 4.340 0.129 0.000 0.212 289 L C 2.807 179.418 176.870 -0.431 0.000 1.105 289 L CA 0.944 55.607 54.840 -0.294 0.000 0.775 289 L CB -0.340 41.383 42.059 -0.560 0.000 0.913 289 L HN 0.260 nan 8.230 nan 0.000 0.440 290 R N 0.222 120.515 120.500 -0.346 0.000 2.052 290 R HA -0.167 4.250 4.340 0.129 0.000 0.226 290 R C 2.455 178.571 176.300 -0.306 0.000 1.145 290 R CA 1.188 57.099 56.100 -0.314 0.000 0.952 290 R CB -0.112 30.120 30.300 -0.114 0.000 0.847 290 R HN 0.032 nan 8.270 nan 0.000 0.431 291 R N -0.027 120.243 120.500 -0.383 0.000 2.120 291 R HA -0.090 4.328 4.340 0.129 0.000 0.234 291 R C 0.545 176.273 176.300 -0.953 0.000 1.123 291 R CA 1.562 57.236 56.100 -0.710 0.000 0.975 291 R CB -0.227 29.468 30.300 -1.009 0.000 0.866 291 R HN 0.259 nan 8.270 nan 0.000 0.446 292 F N 0.082 119.931 119.950 -0.167 0.000 2.850 292 F HA 0.433 5.035 4.527 0.124 0.000 0.306 292 F C 0.433 176.118 175.800 -0.193 0.000 1.162 292 F CA -0.563 57.281 58.000 -0.261 0.000 1.327 292 F CB -0.111 38.747 39.000 -0.236 0.000 0.953 292 F HN -0.153 nan 8.300 nan 0.000 0.507 293 S N 1.604 117.190 115.700 -0.189 0.000 2.559 293 S HA 0.230 4.778 4.470 0.129 0.000 0.282 293 S C 0.854 175.283 174.600 -0.286 0.000 1.336 293 S CA 0.125 58.166 58.200 -0.266 0.000 1.037 293 S CB 0.404 63.411 63.200 -0.321 0.000 0.853 293 S HN 0.559 nan 8.310 nan 0.000 0.523 294 L N 1.546 122.623 121.223 -0.244 0.000 3.635 294 L HA 0.562 4.980 4.340 0.129 0.000 0.338 294 L C -0.978 175.754 176.870 -0.230 0.000 1.275 294 L CA -0.597 54.109 54.840 -0.222 0.000 1.092 294 L CB 0.162 42.251 42.059 0.051 0.000 1.465 294 L HN 0.318 nan 8.230 nan 0.000 0.625 295 V N 1.589 121.347 119.914 -0.259 0.000 2.630 295 V HA 0.890 5.088 4.120 0.129 0.000 0.305 295 V C 0.212 176.134 176.094 -0.287 0.000 1.046 295 V CA 0.008 62.177 62.300 -0.218 0.000 0.934 295 V CB 1.610 33.350 31.823 -0.138 0.000 1.003 295 V HN 0.334 nan 8.190 nan 0.000 0.451 296 A N 3.120 125.785 122.820 -0.259 0.000 2.667 296 A HA 0.676 5.073 4.320 0.129 0.000 0.291 296 A C -0.847 176.616 177.584 -0.202 0.000 1.123 296 A CA -0.591 51.310 52.037 -0.227 0.000 0.832 296 A CB 0.658 19.448 19.000 -0.351 0.000 1.396 296 A HN 0.861 nan 8.150 nan 0.000 0.401 297 D N 1.278 121.594 120.400 -0.140 0.000 2.784 297 D HA 0.862 5.580 4.640 0.129 0.000 0.256 297 D C 0.436 176.717 176.300 -0.032 0.000 1.129 297 D CA 0.076 53.947 54.000 -0.215 0.000 1.102 297 D CB 1.243 41.874 40.800 -0.283 0.000 1.330 297 D HN 0.927 nan 8.370 nan 0.000 0.626 298 G N -1.650 107.144 108.800 -0.009 0.000 2.677 298 G HA2 0.544 4.581 3.960 0.129 0.000 0.283 298 G HA3 0.544 4.581 3.960 0.129 0.000 0.283 298 G C -1.005 173.930 174.900 0.059 0.000 1.221 298 G CA -0.655 44.458 45.100 0.022 0.000 0.851 298 G HN 0.453 nan 8.290 nan 0.000 0.504 299 R N -1.353 119.178 120.500 0.052 0.000 2.947 299 R HA 0.722 5.139 4.340 0.129 0.000 0.253 299 R C -1.383 175.002 176.300 0.143 0.000 1.208 299 R CA -0.802 55.367 56.100 0.116 0.000 1.012 299 R CB 1.263 31.680 30.300 0.194 0.000 1.267 299 R HN 0.636 nan 8.270 nan 0.000 0.473 300 I N 0.944 121.606 120.570 0.153 0.000 2.619 300 I HA 0.265 4.512 4.170 0.129 0.000 0.292 300 I C -0.907 175.272 176.117 0.104 0.000 1.100 300 I CA -0.964 60.418 61.300 0.136 0.000 1.043 300 I CB 1.467 39.520 38.000 0.088 0.000 1.239 300 I HN 0.198 nan 8.210 nan 0.000 0.420 301 L N 6.674 127.953 121.223 0.093 0.000 2.477 301 L HA 0.104 4.521 4.340 0.129 0.000 0.272 301 L C 1.626 178.480 176.870 -0.025 0.000 1.157 301 L CA 0.574 55.398 54.840 -0.026 0.000 0.889 301 L CB 0.853 42.926 42.059 0.023 0.000 1.158 301 L HN 0.842 nan 8.230 nan 0.000 0.473 302 T N -1.189 113.314 114.554 -0.084 0.000 3.085 302 T HA 0.030 4.458 4.350 0.129 0.000 0.263 302 T C 0.748 175.426 174.700 -0.038 0.000 1.127 302 T CA 0.552 62.619 62.100 -0.056 0.000 1.103 302 T CB 0.067 68.878 68.868 -0.096 0.000 0.921 302 T HN 0.666 nan 8.240 nan 0.000 0.510 303 S N -0.568 115.113 115.700 -0.032 0.000 2.645 303 S HA 0.343 4.890 4.470 0.129 0.000 0.268 303 S C -2.177 172.436 174.600 0.021 0.000 1.110 303 S CA -1.187 57.013 58.200 -0.000 0.000 0.823 303 S CB 0.572 63.775 63.200 0.005 0.000 1.091 303 S HN 0.046 nan 8.310 nan 0.000 0.466 304 D N 1.136 121.552 120.400 0.026 0.000 2.488 304 D HA 0.427 5.145 4.640 0.129 0.000 0.238 304 D C -0.768 175.590 176.300 0.095 0.000 1.138 304 D CA 1.204 55.224 54.000 0.033 0.000 0.873 304 D CB -0.016 40.789 40.800 0.008 0.000 1.183 304 D HN 0.544 nan 8.370 nan 0.000 0.458 305 Y N 0.554 120.779 120.300 -0.125 0.000 2.480 305 Y HA 0.169 4.796 4.550 0.129 0.000 0.329 305 Y C -1.122 174.697 175.900 -0.136 0.000 1.127 305 Y CA -0.877 57.099 58.100 -0.206 0.000 1.037 305 Y CB 1.409 39.618 38.460 -0.417 0.000 1.320 305 Y HN 0.255 nan 8.280 nan 0.000 0.446 306 E N 5.823 125.660 120.200 -0.606 0.000 2.089 306 E HA 0.235 4.663 4.350 0.129 0.000 0.284 306 E C -1.851 174.333 176.600 -0.693 0.000 1.023 306 E CA -0.437 55.674 56.400 -0.482 0.000 0.819 306 E CB 0.604 30.131 29.700 -0.288 0.000 1.076 306 E HN 0.481 nan 8.360 nan 0.000 0.396 307 F N 4.763 124.364 119.950 -0.581 0.000 2.427 307 F HA 0.220 4.824 4.527 0.128 0.000 0.348 307 F C 0.106 175.845 175.800 -0.101 0.000 1.125 307 F CA -0.632 57.154 58.000 -0.357 0.000 0.989 307 F CB 0.373 39.312 39.000 -0.102 0.000 1.165 307 F HN 0.591 nan 8.300 nan 0.000 0.442 308 H N 4.147 122.900 119.070 -0.527 0.000 2.655 308 H HA -0.206 4.427 4.556 0.129 0.000 0.313 308 H C 1.442 176.618 175.328 -0.252 0.000 1.141 308 H CA 1.158 56.941 56.048 -0.441 0.000 1.138 308 H CB -1.061 28.339 29.762 -0.603 0.000 1.446 308 H HN 1.156 nan 8.280 nan 0.000 0.415 309 G N -1.361 107.351 108.800 -0.147 0.000 2.205 309 G HA2 -0.331 3.706 3.960 0.129 0.000 0.261 309 G HA3 -0.331 3.706 3.960 0.129 0.000 0.261 309 G C 0.317 175.177 174.900 -0.067 0.000 0.980 309 G CA 0.269 45.315 45.100 -0.091 0.000 0.632 309 G HN 0.454 nan 8.290 nan 0.000 0.533 310 V N 1.632 121.490 119.914 -0.093 0.000 2.427 310 V HA 0.534 4.731 4.120 0.129 0.000 0.286 310 V C 0.396 176.404 176.094 -0.143 0.000 1.034 310 V CA -0.851 61.379 62.300 -0.116 0.000 0.893 310 V CB 1.843 33.531 31.823 -0.224 0.000 0.982 310 V HN 0.267 nan 8.190 nan 0.000 0.452 311 Q N 4.344 124.108 119.800 -0.059 0.000 2.323 311 Q HA 0.428 4.846 4.340 0.129 0.000 0.257 311 Q C -0.892 175.135 176.000 0.046 0.000 1.022 311 Q CA 0.088 55.886 55.803 -0.009 0.000 0.919 311 Q CB 0.996 29.776 28.738 0.070 0.000 1.220 311 Q HN 0.598 nan 8.270 nan 0.000 0.427 312 L N 3.436 124.640 121.223 -0.032 0.000 2.309 312 L HA 0.479 4.897 4.340 0.129 0.000 0.282 312 L C 0.373 177.299 176.870 0.094 0.000 1.036 312 L CA -0.769 54.099 54.840 0.046 0.000 0.806 312 L CB 1.112 43.132 42.059 -0.065 0.000 1.220 312 L HN 0.166 nan 8.230 nan 0.000 0.429 313 K N 2.560 123.047 120.400 0.145 0.000 2.182 313 K HA 0.274 4.672 4.320 0.129 0.000 0.262 313 K C -0.542 176.092 176.600 0.056 0.000 0.957 313 K CA -0.978 55.291 56.287 -0.031 0.000 0.842 313 K CB 2.195 34.458 32.500 -0.394 0.000 1.099 313 K HN 0.407 nan 8.250 nan 0.000 0.438 314 K N 0.336 120.748 120.400 0.019 0.000 2.548 314 K HA -0.140 4.257 4.320 0.129 0.000 0.277 314 K C 0.876 177.515 176.600 0.066 0.000 1.001 314 K CA 1.801 58.108 56.287 0.034 0.000 1.102 314 K CB -0.173 32.334 32.500 0.013 0.000 0.848 314 K HN 0.817 nan 8.250 nan 0.000 0.487 315 G N 2.878 111.730 108.800 0.087 0.000 2.268 315 G HA2 -0.246 3.792 3.960 0.129 0.000 0.240 315 G HA3 -0.246 3.792 3.960 0.129 0.000 0.240 315 G C -0.311 174.696 174.900 0.179 0.000 1.010 315 G CA 0.164 45.330 45.100 0.110 0.000 0.618 315 G HN 0.739 nan 8.290 nan 0.000 0.516 316 D N 1.723 122.275 120.400 0.253 0.000 2.455 316 D HA 0.425 5.142 4.640 0.129 0.000 0.241 316 D C 0.820 177.340 176.300 0.368 0.000 1.138 316 D CA 0.610 54.863 54.000 0.421 0.000 0.877 316 D CB 0.514 41.710 40.800 0.661 0.000 1.187 316 D HN 0.497 nan 8.370 nan 0.000 0.451 317 Q N 1.018 121.027 119.800 0.349 0.000 2.245 317 Q HA 0.616 5.033 4.340 0.129 0.000 0.256 317 Q C -0.453 175.754 176.000 0.345 0.000 0.942 317 Q CA -0.694 55.258 55.803 0.248 0.000 0.896 317 Q CB 2.516 31.325 28.738 0.119 0.000 1.272 317 Q HN 0.477 nan 8.270 nan 0.000 0.442 318 I N 2.714 123.444 120.570 0.268 0.000 2.512 318 I HA 0.262 4.509 4.170 0.129 0.000 0.287 318 I C -1.677 174.501 176.117 0.100 0.000 1.069 318 I CA -1.039 60.429 61.300 0.279 0.000 1.056 318 I CB 1.205 39.373 38.000 0.280 0.000 1.229 318 I HN 0.505 nan 8.210 nan 0.000 0.429 319 L N 8.317 129.608 121.223 0.112 0.000 2.331 319 L HA 0.449 4.866 4.340 0.129 0.000 0.278 319 L C -1.203 175.663 176.870 -0.006 0.000 1.106 319 L CA 0.245 55.099 54.840 0.024 0.000 0.824 319 L CB 0.873 42.971 42.059 0.065 0.000 1.142 319 L HN 0.568 nan 8.230 nan 0.000 0.443 320 L N 7.589 128.765 121.223 -0.078 0.000 2.445 320 L HA 0.396 4.814 4.340 0.129 0.000 0.252 320 L C -2.193 174.681 176.870 0.006 0.000 1.105 320 L CA -1.736 52.998 54.840 -0.176 0.000 0.943 320 L CB 0.978 42.639 42.059 -0.664 0.000 1.277 320 L HN 0.493 nan 8.230 nan 0.000 0.465 321 P HA 0.047 nan 4.420 nan 0.000 0.264 321 P C 0.270 177.554 177.300 -0.026 0.000 1.236 321 P CA 0.044 63.140 63.100 -0.007 0.000 0.811 321 P CB 0.818 32.546 31.700 0.046 0.000 0.840 322 Q N 2.611 122.403 119.800 -0.013 0.000 2.181 322 Q HA -0.193 4.225 4.340 0.129 0.000 0.205 322 Q C 1.905 177.832 176.000 -0.122 0.000 0.980 322 Q CA 1.641 57.431 55.803 -0.022 0.000 0.862 322 Q CB -0.506 28.190 28.738 -0.070 0.000 0.905 322 Q HN 0.513 nan 8.270 nan 0.000 0.429 323 M N -0.403 119.060 119.600 -0.229 0.000 2.159 323 M HA -0.186 4.371 4.480 0.129 0.000 0.263 323 M C 1.409 177.584 176.300 -0.209 0.000 1.063 323 M CA 1.487 56.609 55.300 -0.296 0.000 1.110 323 M CB 0.034 32.329 32.600 -0.509 0.000 1.374 323 M HN 0.285 nan 8.290 nan 0.000 0.411 324 L N -0.640 120.496 121.223 -0.145 0.000 2.156 324 L HA -0.131 4.286 4.340 0.129 0.000 0.208 324 L C 2.431 179.253 176.870 -0.080 0.000 1.095 324 L CA 0.691 55.478 54.840 -0.088 0.000 0.770 324 L CB -0.612 41.420 42.059 -0.044 0.000 0.914 324 L HN 0.315 nan 8.230 nan 0.000 0.439 325 S N 0.534 116.193 115.700 -0.069 0.000 2.368 325 S HA -0.213 4.335 4.470 0.129 0.000 0.226 325 S C 1.921 176.489 174.600 -0.053 0.000 1.044 325 S CA 1.684 59.848 58.200 -0.060 0.000 1.062 325 S CB -0.735 62.435 63.200 -0.050 0.000 0.931 325 S HN 0.619 nan 8.310 nan 0.000 0.440 326 G N 0.379 109.154 108.800 -0.042 0.000 2.598 326 G HA2 0.064 4.102 3.960 0.129 0.000 0.215 326 G HA3 0.064 4.102 3.960 0.129 0.000 0.215 326 G C 1.126 175.983 174.900 -0.071 0.000 1.131 326 G CA 0.133 45.215 45.100 -0.030 0.000 0.785 326 G HN 0.438 nan 8.290 nan 0.000 0.539 327 L N -0.055 121.114 121.223 -0.091 0.000 2.477 327 L HA 0.152 4.569 4.340 0.129 0.000 0.220 327 L C 0.655 177.482 176.870 -0.071 0.000 1.106 327 L CA -0.214 54.568 54.840 -0.096 0.000 0.851 327 L CB 0.059 42.056 42.059 -0.104 0.000 0.994 327 L HN 0.034 nan 8.230 nan 0.000 0.462 328 D N 1.610 121.971 120.400 -0.066 0.000 2.389 328 D HA -0.076 4.642 4.640 0.129 0.000 0.263 328 D C 1.272 177.541 176.300 -0.051 0.000 1.255 328 D CA 0.096 54.059 54.000 -0.061 0.000 0.914 328 D CB 1.001 41.761 40.800 -0.066 0.000 1.116 328 D HN 0.188 nan 8.370 nan 0.000 0.502 329 E N 4.436 124.608 120.200 -0.046 0.000 2.219 329 E HA -0.253 4.175 4.350 0.129 0.000 0.198 329 E C 1.494 178.074 176.600 -0.034 0.000 0.998 329 E CA 0.903 57.281 56.400 -0.036 0.000 0.818 329 E CB -0.308 29.372 29.700 -0.033 0.000 0.741 329 E HN 0.494 nan 8.360 nan 0.000 0.477 330 R N 0.553 121.030 120.500 -0.040 0.000 2.189 330 R HA -0.018 4.399 4.340 0.129 0.000 0.223 330 R C 2.147 178.428 176.300 -0.033 0.000 1.092 330 R CA 1.374 57.452 56.100 -0.037 0.000 0.989 330 R CB 0.026 30.299 30.300 -0.046 0.000 0.876 330 R HN 0.345 nan 8.270 nan 0.000 0.457 331 E N -0.739 119.440 120.200 -0.035 0.000 2.290 331 E HA 0.110 4.538 4.350 0.129 0.000 0.197 331 E C -0.205 176.382 176.600 -0.022 0.000 0.948 331 E CA 0.287 56.668 56.400 -0.031 0.000 0.895 331 E CB 0.487 30.164 29.700 -0.038 0.000 0.865 331 E HN 0.209 nan 8.360 nan 0.000 0.486 332 N N 0.357 119.044 118.700 -0.022 0.000 2.397 332 N HA 0.291 5.109 4.740 0.129 0.000 0.291 332 N C -1.220 174.283 175.510 -0.013 0.000 1.065 332 N CA -0.212 52.830 53.050 -0.013 0.000 0.884 332 N CB 2.146 40.623 38.487 -0.016 0.000 1.551 332 N HN -0.038 nan 8.380 nan 0.000 0.487 333 A N 0.614 123.432 122.820 -0.003 0.000 2.462 333 A HA 0.286 4.684 4.320 0.129 0.000 0.243 333 A C 0.683 178.270 177.584 0.006 0.000 1.076 333 A CA -0.020 52.015 52.037 -0.003 0.000 0.773 333 A CB -0.244 18.756 19.000 0.001 0.000 1.010 333 A HN 0.962 nan 8.150 nan 0.000 0.493 334 C N 2.463 121.763 119.300 -0.000 0.000 3.268 334 C HA -0.096 4.442 4.460 0.129 0.000 0.277 334 C C -0.455 174.547 174.990 0.019 0.000 1.259 334 C CA -0.053 58.972 59.018 0.012 0.000 2.353 334 C CB -2.275 25.476 27.740 0.018 0.000 1.482 334 C HN 0.863 nan 8.230 nan 0.000 0.513 335 P HA -0.166 nan 4.420 nan 0.000 0.219 335 P C 1.342 178.592 177.300 -0.083 0.000 1.146 335 P CA 1.562 64.633 63.100 -0.049 0.000 0.808 335 P CB 0.056 31.722 31.700 -0.056 0.000 0.779 336 M N -1.790 117.781 119.600 -0.048 0.000 2.541 336 M HA 0.077 4.635 4.480 0.129 0.000 0.252 336 M C 0.829 177.100 176.300 -0.048 0.000 1.125 336 M CA 0.063 55.320 55.300 -0.072 0.000 1.091 336 M CB -1.785 30.801 32.600 -0.023 0.000 1.420 336 M HN 0.031 nan 8.290 nan 0.000 0.486 337 H N 0.264 119.280 119.070 -0.089 0.000 2.610 337 H HA 0.381 5.016 4.556 0.131 0.000 0.336 337 H C -0.929 174.332 175.328 -0.111 0.000 1.087 337 H CA -0.264 55.747 56.048 -0.062 0.000 1.405 337 H CB 0.921 30.671 29.762 -0.022 0.000 1.460 337 H HN -0.174 nan 8.280 nan 0.000 0.538 338 V N 5.739 125.229 119.914 -0.707 0.000 2.368 338 V HA 0.119 4.316 4.120 0.129 0.000 0.266 338 V C -0.224 175.522 176.094 -0.580 0.000 1.045 338 V CA -0.262 61.669 62.300 -0.614 0.000 0.899 338 V CB 0.724 32.051 31.823 -0.827 0.000 1.006 338 V HN 0.816 nan 8.190 nan 0.000 0.470 339 D N 4.496 124.733 120.400 -0.272 0.000 2.440 339 D HA 0.327 5.044 4.640 0.129 0.000 0.252 339 D C 0.567 176.907 176.300 0.067 0.000 1.180 339 D CA -0.576 53.367 54.000 -0.094 0.000 0.894 339 D CB 0.904 41.756 40.800 0.086 0.000 1.111 339 D HN 0.226 nan 8.370 nan 0.000 0.544 340 F N 1.350 121.353 119.950 0.087 0.000 2.373 340 F HA -0.065 4.544 4.527 0.137 0.000 0.300 340 F C 2.057 177.892 175.800 0.059 0.000 1.080 340 F CA 0.571 58.619 58.000 0.080 0.000 1.417 340 F CB -0.543 38.515 39.000 0.098 0.000 1.070 340 F HN 0.281 nan 8.300 nan 0.000 0.546 341 S N -1.043 114.785 115.700 0.213 0.000 2.572 341 S HA 0.123 4.671 4.470 0.129 0.000 0.228 341 S C 0.725 175.388 174.600 0.105 0.000 0.963 341 S CA -0.515 57.769 58.200 0.140 0.000 0.939 341 S CB -0.189 63.075 63.200 0.106 0.000 0.804 341 S HN 0.127 nan 8.310 nan 0.000 0.480 342 R N 2.634 123.200 120.500 0.108 0.000 2.504 342 R HA -0.058 4.360 4.340 0.129 0.000 0.291 342 R C 1.785 178.126 176.300 0.068 0.000 0.974 342 R CA 0.125 56.273 56.100 0.081 0.000 1.077 342 R CB 0.218 30.564 30.300 0.077 0.000 0.926 342 R HN 0.430 nan 8.270 nan 0.000 0.407 343 Q N 2.967 122.798 119.800 0.052 0.000 2.135 343 Q HA -0.213 4.205 4.340 0.129 0.000 0.204 343 Q C -0.217 175.807 176.000 0.040 0.000 0.981 343 Q CA 1.654 57.483 55.803 0.043 0.000 0.856 343 Q CB 0.209 28.967 28.738 0.033 0.000 0.902 343 Q HN 0.274 nan 8.270 nan 0.000 0.425 344 K N -0.015 120.407 120.400 0.038 0.000 2.637 344 K HA 0.285 4.682 4.320 0.129 0.000 0.248 344 K C -1.903 174.718 176.600 0.035 0.000 0.971 344 K CA -0.454 55.851 56.287 0.031 0.000 0.858 344 K CB 2.081 34.591 32.500 0.017 0.000 1.170 344 K HN -0.069 nan 8.250 nan 0.000 0.443 345 V N 3.840 123.785 119.914 0.051 0.000 2.322 345 V HA 0.262 4.459 4.120 0.129 0.000 0.258 345 V C -0.085 176.037 176.094 0.047 0.000 1.074 345 V CA -0.433 61.914 62.300 0.078 0.000 0.909 345 V CB 0.583 32.489 31.823 0.137 0.000 1.090 345 V HN 0.806 nan 8.190 nan 0.000 0.486 346 S N 5.557 121.267 115.700 0.017 0.000 2.499 346 S HA 0.675 5.222 4.470 0.129 0.000 0.279 346 S C -0.503 174.100 174.600 0.004 0.000 1.219 346 S CA -0.316 57.857 58.200 -0.045 0.000 1.062 346 S CB 0.219 63.399 63.200 -0.033 0.000 0.978 346 S HN 1.096 nan 8.310 nan 0.000 0.489 347 H N -0.001 119.048 119.070 -0.035 0.000 2.935 347 H HA 0.474 5.103 4.556 0.122 0.000 0.297 347 H C -0.558 174.743 175.328 -0.045 0.000 1.423 347 H CA -0.326 55.682 56.048 -0.067 0.000 1.161 347 H CB 0.594 30.295 29.762 -0.102 0.000 1.841 347 H HN 0.345 nan 8.280 nan 0.000 0.506 348 T N -2.643 112.012 114.554 0.168 0.000 3.487 348 T HA 0.177 4.604 4.350 0.129 0.000 0.287 348 T C 0.502 175.249 174.700 0.079 0.000 1.004 348 T CA 0.145 62.319 62.100 0.124 0.000 0.977 348 T CB -0.387 68.509 68.868 0.046 0.000 1.180 348 T HN 0.611 nan 8.240 nan 0.000 0.490 349 T N 1.516 116.123 114.554 0.089 0.000 2.737 349 T HA -0.013 4.415 4.350 0.129 0.000 0.269 349 T C 0.434 174.867 174.700 -0.445 0.000 1.040 349 T CA 1.437 63.312 62.100 -0.375 0.000 1.142 349 T CB -0.407 67.941 68.868 -0.867 0.000 0.861 349 T HN 0.523 nan 8.240 nan 0.000 0.456 350 F N 1.096 121.042 119.950 -0.007 0.000 2.660 350 F HA 0.482 5.118 4.527 0.181 0.000 0.297 350 F C 1.530 177.295 175.800 -0.058 0.000 1.132 350 F CA -0.233 57.736 58.000 -0.052 0.000 1.372 350 F CB -0.399 38.568 39.000 -0.054 0.000 1.003 350 F HN 0.292 nan 8.300 nan 0.000 0.524 351 G N 0.002 108.825 108.800 0.039 0.000 2.660 351 G HA2 -0.066 3.972 3.960 0.129 0.000 0.247 351 G HA3 -0.066 3.972 3.960 0.129 0.000 0.247 351 G C -1.501 173.404 174.900 0.007 0.000 1.328 351 G CA -0.745 44.302 45.100 -0.087 0.000 0.884 351 G HN 0.513 nan 8.290 nan 0.000 0.531 352 H N -1.109 117.806 119.070 -0.259 0.000 3.064 352 H HA 0.690 5.323 4.556 0.128 0.000 0.352 352 H C 0.559 175.858 175.328 -0.049 0.000 1.260 352 H CA 1.783 57.778 56.048 -0.088 0.000 1.160 352 H CB 1.432 31.215 29.762 0.035 0.000 1.879 352 H HN 2.662 nan 8.280 nan 0.000 0.544 353 G N 0.727 109.322 108.800 -0.342 0.000 2.568 353 G HA2 -0.244 3.793 3.960 0.129 0.000 0.222 353 G HA3 -0.244 3.793 3.960 0.129 0.000 0.222 353 G C 0.989 175.837 174.900 -0.086 0.000 1.321 353 G CA 0.456 45.495 45.100 -0.102 0.000 0.893 353 G HN 1.394 nan 8.290 nan 0.000 0.569 354 S N -0.785 114.879 115.700 -0.059 0.000 2.595 354 S HA -0.000 4.547 4.470 0.129 0.000 0.235 354 S C 1.124 175.527 174.600 -0.328 0.000 0.974 354 S CA 1.703 59.779 58.200 -0.207 0.000 0.942 354 S CB -0.246 62.760 63.200 -0.323 0.000 0.766 354 S HN 0.757 nan 8.310 nan 0.000 0.536 355 H N 0.279 119.320 119.070 -0.048 0.000 2.469 355 H HA 0.362 4.994 4.556 0.127 0.000 0.286 355 H C -0.339 174.959 175.328 -0.050 0.000 1.106 355 H CA -0.702 55.325 56.048 -0.035 0.000 1.055 355 H CB 0.029 29.779 29.762 -0.020 0.000 1.618 355 H HN 0.293 nan 8.280 nan 0.000 0.559 356 L N 1.639 122.864 121.223 0.003 0.000 2.601 356 L HA -0.106 4.311 4.340 0.129 0.000 0.277 356 L C 0.743 177.615 176.870 0.004 0.000 1.219 356 L CA 0.462 55.299 54.840 -0.005 0.000 0.915 356 L CB -0.052 41.986 42.059 -0.035 0.000 1.160 356 L HN 0.392 nan 8.230 nan 0.000 0.494 357 C N 5.694 125.009 119.300 0.025 0.000 2.334 357 C HA -0.059 4.478 4.460 0.129 0.000 0.395 357 C C 1.908 176.830 174.990 -0.114 0.000 1.507 357 C CA -0.204 58.812 59.018 -0.003 0.000 1.494 357 C CB -1.086 26.692 27.740 0.064 0.000 2.509 357 C HN 0.819 nan 8.230 nan 0.000 0.599 358 L N 4.983 126.168 121.223 -0.063 0.000 2.446 358 L HA 0.185 4.603 4.340 0.129 0.000 0.219 358 L C 2.325 179.130 176.870 -0.108 0.000 1.116 358 L CA 1.110 55.910 54.840 -0.067 0.000 0.844 358 L CB -0.366 41.696 42.059 0.006 0.000 0.970 358 L HN 0.954 nan 8.230 nan 0.000 0.457 359 G N -0.441 108.285 108.800 -0.122 0.000 3.284 359 G HA2 -0.023 4.014 3.960 0.129 0.000 0.236 359 G HA3 -0.023 4.014 3.960 0.129 0.000 0.236 359 G C 1.289 176.035 174.900 -0.258 0.000 1.158 359 G CA -0.170 44.861 45.100 -0.115 0.000 0.774 359 G HN 0.495 nan 8.290 nan 0.000 0.545 360 Q N -0.353 119.102 119.800 -0.574 0.000 2.224 360 Q HA -0.114 4.303 4.340 0.129 0.000 0.203 360 Q C 1.675 177.257 176.000 -0.696 0.000 0.970 360 Q CA 0.976 56.154 55.803 -1.042 0.000 0.865 360 Q CB -0.413 27.220 28.738 -1.842 0.000 0.922 360 Q HN 0.452 nan 8.270 nan 0.000 0.445 361 H N 0.572 119.483 119.070 -0.265 0.000 2.395 361 H HA -0.037 4.505 4.556 -0.022 0.000 0.299 361 H C 2.135 177.417 175.328 -0.077 0.000 1.070 361 H CA 1.239 57.201 56.048 -0.143 0.000 1.356 361 H CB -0.111 29.592 29.762 -0.098 0.000 1.401 361 H HN 0.253 nan 8.280 nan 0.000 0.524 362 L N 1.266 122.504 121.223 0.025 0.000 2.056 362 L HA -0.012 4.405 4.340 0.129 0.000 0.207 362 L C 2.521 179.411 176.870 0.032 0.000 1.078 362 L CA 1.782 56.641 54.840 0.032 0.000 0.749 362 L CB -0.910 41.163 42.059 0.024 0.000 0.901 362 L HN 0.157 nan 8.230 nan 0.000 0.433 363 A N -0.239 122.579 122.820 -0.004 0.000 1.883 363 A HA -0.221 4.177 4.320 0.129 0.000 0.217 363 A C 2.438 180.092 177.584 0.116 0.000 1.186 363 A CA 1.853 53.931 52.037 0.069 0.000 0.624 363 A CB -0.600 18.462 19.000 0.103 0.000 0.822 363 A HN 0.500 nan 8.150 nan 0.000 0.444 364 R N -1.294 119.242 120.500 0.060 0.000 2.081 364 R HA -0.146 4.272 4.340 0.129 0.000 0.235 364 R C 2.463 178.844 176.300 0.136 0.000 1.131 364 R CA 1.595 57.761 56.100 0.109 0.000 0.960 364 R CB -0.290 30.050 30.300 0.067 0.000 0.856 364 R HN 0.432 nan 8.270 nan 0.000 0.436 365 R N 1.475 122.046 120.500 0.119 0.000 2.073 365 R HA -0.131 4.286 4.340 0.129 0.000 0.234 365 R C 1.795 178.218 176.300 0.205 0.000 1.134 365 R CA 1.794 57.976 56.100 0.136 0.000 0.952 365 R CB -0.249 30.116 30.300 0.108 0.000 0.850 365 R HN 0.267 nan 8.270 nan 0.000 0.433 366 E N -0.508 119.827 120.200 0.226 0.000 2.110 366 E HA -0.173 4.254 4.350 0.129 0.000 0.193 366 E C 1.983 178.868 176.600 0.475 0.000 0.988 366 E CA 1.574 58.207 56.400 0.388 0.000 0.804 366 E CB -0.149 29.682 29.700 0.219 0.000 0.745 366 E HN 0.358 nan 8.360 nan 0.000 0.458 367 I N 0.580 121.359 120.570 0.348 0.000 2.202 367 I HA -0.250 3.998 4.170 0.129 0.000 0.242 367 I C 2.244 178.510 176.117 0.248 0.000 1.091 367 I CA 0.964 62.468 61.300 0.341 0.000 1.368 367 I CB -0.127 38.088 38.000 0.359 0.000 1.058 367 I HN 0.071 nan 8.210 nan 0.000 0.410 368 I N -0.131 120.559 120.570 0.200 0.000 2.286 368 I HA -0.262 3.986 4.170 0.129 0.000 0.248 368 I C 2.468 178.665 176.117 0.133 0.000 1.115 368 I CA 1.123 62.507 61.300 0.140 0.000 1.392 368 I CB -0.296 37.772 38.000 0.114 0.000 1.065 368 I HN 0.019 nan 8.210 nan 0.000 0.418 369 V N 0.272 120.290 119.914 0.172 0.000 2.358 369 V HA -0.279 3.919 4.120 0.129 0.000 0.246 369 V C 2.480 178.635 176.094 0.101 0.000 1.047 369 V CA 2.425 64.816 62.300 0.151 0.000 1.035 369 V CB -0.799 31.162 31.823 0.230 0.000 0.658 369 V HN 0.467 nan 8.190 nan 0.000 0.452 370 T N 0.396 115.023 114.554 0.121 0.000 2.674 370 T HA -0.160 4.268 4.350 0.129 0.000 0.265 370 T C 1.901 176.641 174.700 0.066 0.000 1.039 370 T CA 1.668 63.800 62.100 0.054 0.000 1.150 370 T CB -0.329 68.619 68.868 0.133 0.000 0.864 370 T HN 0.270 nan 8.240 nan 0.000 0.427 371 L N 0.572 121.844 121.223 0.082 0.000 1.990 371 L HA -0.161 4.257 4.340 0.129 0.000 0.213 371 L C 2.882 179.803 176.870 0.083 0.000 1.072 371 L CA 1.358 56.241 54.840 0.071 0.000 0.755 371 L CB -0.456 41.638 42.059 0.058 0.000 0.889 371 L HN 0.091 nan 8.230 nan 0.000 0.432 372 K N -0.043 120.398 120.400 0.068 0.000 1.985 372 K HA -0.174 4.224 4.320 0.129 0.000 0.210 372 K C 2.075 178.700 176.600 0.042 0.000 1.047 372 K CA 1.534 57.853 56.287 0.053 0.000 0.932 372 K CB -0.187 32.341 32.500 0.047 0.000 0.716 372 K HN 0.193 nan 8.250 nan 0.000 0.439 373 E N -0.309 119.912 120.200 0.035 0.000 2.150 373 E HA -0.188 4.239 4.350 0.129 0.000 0.193 373 E C 1.712 178.284 176.600 -0.046 0.000 0.985 373 E CA 0.556 56.953 56.400 -0.005 0.000 0.814 373 E CB -0.365 29.331 29.700 -0.006 0.000 0.752 373 E HN 0.457 nan 8.360 nan 0.000 0.466 374 W N 1.199 122.387 121.300 -0.187 0.000 2.408 374 W HA -0.070 4.666 4.660 0.125 0.000 0.311 374 W C 1.769 178.150 176.519 -0.230 0.000 1.190 374 W CA 0.857 58.031 57.345 -0.286 0.000 1.321 374 W CB -0.466 28.760 29.460 -0.390 0.000 1.143 374 W HN 0.019 nan 8.180 nan 0.000 0.501 375 L N 0.617 121.950 121.223 0.183 0.000 2.265 375 L HA -0.210 4.208 4.340 0.129 0.000 0.215 375 L C 2.352 179.230 176.870 0.013 0.000 1.117 375 L CA 1.494 56.429 54.840 0.158 0.000 0.782 375 L CB -1.039 41.127 42.059 0.179 0.000 0.914 375 L HN -0.091 nan 8.230 nan 0.000 0.441 376 T N -0.411 114.122 114.554 -0.036 0.000 2.668 376 T HA -0.159 4.268 4.350 0.129 0.000 0.262 376 T C 2.020 176.651 174.700 -0.115 0.000 1.045 376 T CA 1.335 63.402 62.100 -0.055 0.000 1.152 376 T CB -0.099 68.738 68.868 -0.051 0.000 0.864 376 T HN 0.340 nan 8.240 nan 0.000 0.419 377 R N 0.474 120.847 120.500 -0.212 0.000 2.075 377 R HA 0.190 4.608 4.340 0.129 0.000 0.226 377 R C 0.658 176.736 176.300 -0.370 0.000 1.114 377 R CA 0.831 56.766 56.100 -0.275 0.000 0.972 377 R CB -0.111 29.987 30.300 -0.335 0.000 0.869 377 R HN 0.359 nan 8.270 nan 0.000 0.437 378 I N 2.318 122.541 120.570 -0.578 0.000 2.697 378 I HA 0.166 4.414 4.170 0.129 0.000 0.279 378 I C -1.842 174.164 176.117 -0.186 0.000 1.171 378 I CA -1.823 59.096 61.300 -0.634 0.000 1.135 378 I CB 1.736 38.895 38.000 -1.401 0.000 1.445 378 I HN -0.081 nan 8.210 nan 0.000 0.541 379 P HA -0.071 nan 4.420 nan 0.000 0.216 379 P C 0.153 177.593 177.300 0.233 0.000 1.153 379 P CA 1.211 64.392 63.100 0.136 0.000 0.844 379 P CB 0.331 32.065 31.700 0.057 0.000 0.787 380 D N -0.303 120.218 120.400 0.202 0.000 2.381 380 D HA 0.479 5.196 4.640 0.129 0.000 0.235 380 D C -0.618 175.898 176.300 0.360 0.000 1.068 380 D CA -0.374 53.736 54.000 0.183 0.000 0.832 380 D CB 0.468 41.338 40.800 0.116 0.000 1.101 380 D HN -0.029 nan 8.370 nan 0.000 0.515 381 F N 0.419 120.426 119.950 0.095 0.000 2.741 381 F HA 0.774 5.378 4.527 0.128 0.000 0.313 381 F C -0.924 174.943 175.800 0.110 0.000 1.153 381 F CA -1.115 56.994 58.000 0.181 0.000 0.931 381 F CB 0.776 39.895 39.000 0.198 0.000 1.335 381 F HN 0.187 nan 8.300 nan 0.000 0.460 382 S N 0.150 116.010 115.700 0.266 0.000 2.643 382 S HA 0.731 5.278 4.470 0.129 0.000 0.270 382 S C -1.335 173.362 174.600 0.163 0.000 1.166 382 S CA -1.048 57.190 58.200 0.063 0.000 0.815 382 S CB 1.282 64.490 63.200 0.014 0.000 1.139 382 S HN 0.846 nan 8.310 nan 0.000 0.472 383 I N 1.960 122.572 120.570 0.069 0.000 2.575 383 I HA 0.456 4.704 4.170 0.129 0.000 0.285 383 I C 1.104 177.267 176.117 0.076 0.000 1.085 383 I CA -0.279 61.068 61.300 0.079 0.000 1.403 383 I CB 0.921 38.939 38.000 0.029 0.000 1.409 383 I HN 0.927 nan 8.210 nan 0.000 0.557 384 A N 8.896 131.766 122.820 0.084 0.000 2.565 384 A HA 0.217 4.615 4.320 0.129 0.000 0.237 384 A C -2.099 175.507 177.584 0.038 0.000 1.053 384 A CA -0.864 51.209 52.037 0.060 0.000 0.755 384 A CB -0.787 18.244 19.000 0.053 0.000 0.980 384 A HN 0.468 nan 8.150 nan 0.000 0.506 385 P HA 0.182 nan 4.420 nan 0.000 0.267 385 P C 1.092 178.401 177.300 0.015 0.000 1.200 385 P CA 1.270 64.381 63.100 0.018 0.000 0.772 385 P CB 0.655 32.363 31.700 0.013 0.000 0.855 386 G N 1.334 110.141 108.800 0.012 0.000 2.353 386 G HA2 -0.312 3.725 3.960 0.129 0.000 0.258 386 G HA3 -0.312 3.725 3.960 0.129 0.000 0.258 386 G C 0.529 175.437 174.900 0.014 0.000 1.013 386 G CA 0.377 45.484 45.100 0.011 0.000 0.622 386 G HN 0.925 nan 8.290 nan 0.000 0.535 387 A N 0.387 123.218 122.820 0.019 0.000 2.540 387 A HA 0.509 4.907 4.320 0.129 0.000 0.239 387 A C 0.530 178.125 177.584 0.018 0.000 1.061 387 A CA 0.725 52.775 52.037 0.023 0.000 0.758 387 A CB 0.231 19.251 19.000 0.033 0.000 0.991 387 A HN 0.427 nan 8.150 nan 0.000 0.502 388 Q N 2.058 121.868 119.800 0.018 0.000 2.368 388 Q HA 0.325 4.743 4.340 0.129 0.000 0.263 388 Q C -0.748 175.261 176.000 0.014 0.000 1.009 388 Q CA -0.556 55.254 55.803 0.011 0.000 0.818 388 Q CB 1.553 30.296 28.738 0.009 0.000 1.239 388 Q HN 0.613 nan 8.270 nan 0.000 0.464 389 I N 2.241 122.815 120.570 0.008 0.000 2.441 389 I HA 0.205 4.452 4.170 0.129 0.000 0.287 389 I C 0.445 176.555 176.117 -0.012 0.000 1.049 389 I CA 0.047 61.359 61.300 0.019 0.000 1.381 389 I CB 0.581 38.602 38.000 0.034 0.000 1.409 389 I HN 0.432 nan 8.210 nan 0.000 0.523 390 Q N 4.787 124.612 119.800 0.041 0.000 2.377 390 Q HA 0.469 4.886 4.340 0.129 0.000 0.271 390 Q C -0.999 175.124 176.000 0.205 0.000 1.077 390 Q CA -0.669 55.159 55.803 0.042 0.000 0.820 390 Q CB 2.807 31.577 28.738 0.053 0.000 1.347 390 Q HN 0.612 nan 8.270 nan 0.000 0.444 391 H N 0.266 119.405 119.070 0.115 0.000 2.615 391 H HA 0.555 5.190 4.556 0.131 0.000 0.346 391 H C -0.609 174.808 175.328 0.149 0.000 1.200 391 H CA -1.109 55.035 56.048 0.159 0.000 1.264 391 H CB 1.443 31.374 29.762 0.283 0.000 1.699 391 H HN 0.101 nan 8.280 nan 0.000 0.567 392 K N 0.823 121.405 120.400 0.302 0.000 2.469 392 K HA 0.352 4.749 4.320 0.129 0.000 0.254 392 K C -1.024 175.736 176.600 0.267 0.000 0.939 392 K CA -0.597 55.828 56.287 0.229 0.000 0.812 392 K CB 2.864 35.459 32.500 0.158 0.000 1.301 392 K HN 0.482 nan 8.250 nan 0.000 0.433 393 S N 0.094 115.957 115.700 0.271 0.000 2.532 393 S HA 0.907 5.454 4.470 0.129 0.000 0.301 393 S C -0.339 174.436 174.600 0.292 0.000 1.083 393 S CA -0.030 58.364 58.200 0.324 0.000 1.025 393 S CB 1.426 64.877 63.200 0.418 0.000 1.056 393 S HN 0.849 nan 8.310 nan 0.000 0.494 394 G N 2.310 111.249 108.800 0.232 0.000 2.364 394 G HA2 0.219 4.256 3.960 0.129 0.000 0.286 394 G HA3 0.219 4.256 3.960 0.129 0.000 0.286 394 G C 0.238 175.145 174.900 0.012 0.000 1.241 394 G CA -0.380 44.809 45.100 0.149 0.000 0.887 394 G HN 0.561 nan 8.290 nan 0.000 0.484 395 I N -0.073 120.513 120.570 0.026 0.000 2.335 395 I HA 0.007 4.255 4.170 0.129 0.000 0.251 395 I C 0.660 176.728 176.117 -0.081 0.000 1.129 395 I CA 1.509 62.721 61.300 -0.147 0.000 1.402 395 I CB -0.757 37.098 38.000 -0.241 0.000 1.069 395 I HN 0.026 nan 8.210 nan 0.000 0.424 396 V N 0.403 120.333 119.914 0.027 0.000 2.623 396 V HA 0.290 4.487 4.120 0.129 0.000 0.304 396 V C -0.038 176.108 176.094 0.086 0.000 1.054 396 V CA -0.601 61.720 62.300 0.034 0.000 0.882 396 V CB 2.037 33.905 31.823 0.075 0.000 1.002 396 V HN 0.058 nan 8.190 nan 0.000 0.424 397 S N 2.180 117.935 115.700 0.093 0.000 2.646 397 S HA 0.912 5.459 4.470 0.129 0.000 0.276 397 S C 0.423 175.189 174.600 0.277 0.000 1.222 397 S CA 0.087 58.407 58.200 0.198 0.000 1.014 397 S CB 1.851 65.156 63.200 0.175 0.000 0.991 397 S HN 1.171 nan 8.310 nan 0.000 0.533 398 G N -0.285 108.629 108.800 0.190 0.000 2.815 398 G HA2 0.611 4.648 3.960 0.129 0.000 0.305 398 G HA3 0.611 4.648 3.960 0.129 0.000 0.305 398 G C -1.822 172.859 174.900 -0.365 0.000 1.277 398 G CA -0.472 44.529 45.100 -0.166 0.000 0.795 398 G HN 0.627 nan 8.290 nan 0.000 0.528 399 V N 0.412 120.074 119.914 -0.420 0.000 2.540 399 V HA 0.318 4.515 4.120 0.129 0.000 0.302 399 V C 1.065 177.127 176.094 -0.054 0.000 1.035 399 V CA -0.336 61.824 62.300 -0.233 0.000 0.873 399 V CB 1.513 33.116 31.823 -0.367 0.000 0.992 399 V HN 0.837 nan 8.190 nan 0.000 0.428 400 Q N 3.413 123.239 119.800 0.044 0.000 2.002 400 Q HA 0.102 4.519 4.340 0.129 0.000 0.204 400 Q C 0.585 176.609 176.000 0.039 0.000 0.988 400 Q CA 2.004 57.836 55.803 0.048 0.000 0.843 400 Q CB 0.095 28.874 28.738 0.069 0.000 0.908 400 Q HN 1.006 nan 8.270 nan 0.000 0.420 401 A N -0.994 121.855 122.820 0.049 0.000 2.574 401 A HA 0.589 4.987 4.320 0.129 0.000 0.297 401 A C -1.928 175.696 177.584 0.066 0.000 1.062 401 A CA -0.627 51.444 52.037 0.057 0.000 0.686 401 A CB 1.432 20.466 19.000 0.056 0.000 1.285 401 A HN 0.169 nan 8.150 nan 0.000 0.403 402 L N 2.328 123.607 121.223 0.094 0.000 2.480 402 L HA 0.496 4.914 4.340 0.129 0.000 0.253 402 L C -2.773 174.179 176.870 0.137 0.000 1.324 402 L CA -1.705 53.194 54.840 0.099 0.000 0.916 402 L CB 1.368 43.483 42.059 0.093 0.000 1.160 402 L HN 0.326 nan 8.230 nan 0.000 0.503 403 P HA 0.294 nan 4.420 nan 0.000 0.276 403 P C -0.914 176.481 177.300 0.158 0.000 1.253 403 P CA 0.257 63.434 63.100 0.129 0.000 0.766 403 P CB 0.647 32.398 31.700 0.086 0.000 0.845 404 L N 3.714 125.082 121.223 0.243 0.000 2.333 404 L HA 0.799 5.217 4.340 0.129 0.000 0.269 404 L C 0.256 177.342 176.870 0.359 0.000 1.010 404 L CA -1.200 53.850 54.840 0.350 0.000 0.818 404 L CB 2.070 44.412 42.059 0.471 0.000 1.306 404 L HN 0.158 nan 8.230 nan 0.000 0.430 405 V N -1.392 118.764 119.914 0.404 0.000 3.114 405 V HA 0.830 5.027 4.120 0.129 0.000 0.308 405 V C -1.786 174.584 176.094 0.460 0.000 1.168 405 V CA -0.606 61.809 62.300 0.191 0.000 1.015 405 V CB 1.804 33.660 31.823 0.054 0.000 1.050 405 V HN 0.996 nan 8.190 nan 0.000 0.433 406 W N 0.696 122.066 121.300 0.117 0.000 3.057 406 W HA 0.718 5.458 4.660 0.133 0.000 0.328 406 W C -1.879 174.678 176.519 0.064 0.000 1.232 406 W CA -0.640 56.773 57.345 0.114 0.000 1.187 406 W CB 0.849 30.405 29.460 0.159 0.000 1.417 406 W HN 0.721 nan 8.180 nan 0.000 0.569 407 D N 2.321 122.895 120.400 0.290 0.000 2.339 407 D HA 0.367 5.084 4.640 0.129 0.000 0.241 407 D C -1.460 174.991 176.300 0.252 0.000 1.183 407 D CA -2.410 51.683 54.000 0.156 0.000 0.859 407 D CB 1.875 42.747 40.800 0.119 0.000 1.067 407 D HN 0.075 nan 8.370 nan 0.000 0.484 408 P HA -0.100 nan 4.420 nan 0.000 0.219 408 P C 0.880 178.257 177.300 0.129 0.000 1.146 408 P CA 1.033 64.253 63.100 0.201 0.000 0.808 408 P CB 0.179 31.934 31.700 0.092 0.000 0.779 409 A N -0.491 122.384 122.820 0.091 0.000 2.125 409 A HA -0.139 4.258 4.320 0.129 0.000 0.219 409 A C 2.064 179.688 177.584 0.066 0.000 1.156 409 A CA 2.091 54.165 52.037 0.062 0.000 0.671 409 A CB -1.608 17.420 19.000 0.046 0.000 0.794 409 A HN 0.356 nan 8.150 nan 0.000 0.459 410 T N -3.059 111.552 114.554 0.096 0.000 3.060 410 T HA 0.136 4.564 4.350 0.129 0.000 0.249 410 T C 1.005 175.739 174.700 0.056 0.000 1.079 410 T CA 0.820 62.968 62.100 0.080 0.000 1.013 410 T CB -0.717 68.214 68.868 0.105 0.000 0.975 410 T HN 0.517 nan 8.240 nan 0.000 0.518 411 T N 0.347 114.938 114.554 0.061 0.000 2.814 411 T HA 0.593 5.020 4.350 0.129 0.000 0.284 411 T C -0.628 174.059 174.700 -0.021 0.000 0.998 411 T CA -0.839 61.252 62.100 -0.015 0.000 0.935 411 T CB 1.051 69.914 68.868 -0.009 0.000 1.167 411 T HN 0.674 nan 8.240 nan 0.000 0.545 412 K N -0.693 119.671 120.400 -0.060 0.000 2.578 412 K HA 0.609 5.006 4.320 0.129 0.000 0.263 412 K C -1.004 175.559 176.600 -0.063 0.000 0.973 412 K CA -1.003 55.258 56.287 -0.044 0.000 0.909 412 K CB 0.929 33.410 32.500 -0.032 0.000 1.326 412 K HN 0.815 nan 8.250 nan 0.000 0.440 413 A N 2.561 125.355 122.820 -0.044 0.000 2.386 413 A HA 0.576 4.974 4.320 0.129 0.000 0.248 413 A C -0.102 177.459 177.584 -0.039 0.000 1.082 413 A CA -0.377 51.633 52.037 -0.046 0.000 0.789 413 A CB 0.697 19.680 19.000 -0.028 0.000 1.025 413 A HN 0.470 nan 8.150 nan 0.000 0.490 414 V N 0.000 119.890 119.914 -0.039 0.000 2.409 414 V HA 0.000 4.197 4.120 0.129 0.000 0.244 414 V CA 0.000 62.283 62.300 -0.028 0.000 1.235 414 V CB 0.000 31.803 31.823 -0.033 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556