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 1dkl_1_B DATA FIRST_RESID 4 DATA SEQUENCE PELKLESVVI VSRHGVRAPT KATQLMQDVT PDAWPTWPVK LGWLTPRGGE DATA SEQUENCE LIAYLGHYQR QRLVADGLLA KKGcPQSGQV AIIADVDERT RKTGEAFAAG DATA SEQUENCE LAPDcAITVH TQADTSSPDP LFNPLKTGVc QLDNANVTDA ILSRAGGSIA DATA SEQUENCE DFTGHRQTAF RELERVLNFP QSNLcLKRXX XXXScSLTQA LPSELKVSAD DATA SEQUENCE NVSLTGAVSL ASMLTEIFLL QQAQGMPEPG WGRITDSHQW NTLLSLHNAQ DATA SEQUENCE FYLLQRTPEV ARSRATPLLD LIKTALTPHP PQKQAYGVTL PTSVLFIAGH DATA SEQUENCE DTNLANLGGA LELNWTLPGQ PDNTPPGGEL VFERWRRLSD NSQWIQVSLV DATA SEQUENCE FQTLQQMRDK TPLSLNTPPG EVKLTLAGcE ERNAQGMcSL AGFTQIVNEA DATA SEQUENCE RIPAcSL 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.273 177.300 -0.045 0.000 1.155 4 P CA 0.000 63.072 63.100 -0.047 0.000 0.800 4 P CB 0.000 31.669 31.700 -0.053 0.000 0.726 5 E N 1.993 122.188 120.200 -0.007 0.000 2.324 5 E HA 0.368 4.728 4.350 0.018 0.000 0.271 5 E C -0.694 175.936 176.600 0.049 0.000 1.028 5 E CA -0.157 56.250 56.400 0.013 0.000 0.890 5 E CB 0.391 30.108 29.700 0.029 0.000 1.004 5 E HN 0.235 nan 8.360 nan 0.000 0.431 6 L N 4.793 126.055 121.223 0.066 0.000 2.329 6 L HA 0.468 4.819 4.340 0.018 0.000 0.279 6 L C -0.012 177.062 176.870 0.340 0.000 1.014 6 L CA -0.781 54.169 54.840 0.184 0.000 0.814 6 L CB 1.624 43.735 42.059 0.086 0.000 1.257 6 L HN 0.502 nan 8.230 nan 0.000 0.424 7 K N 2.973 123.590 120.400 0.362 0.000 2.270 7 K HA 0.429 4.760 4.320 0.018 0.000 0.255 7 K C -1.270 175.403 176.600 0.121 0.000 0.936 7 K CA -0.880 55.558 56.287 0.251 0.000 0.809 7 K CB 1.996 34.567 32.500 0.118 0.000 1.131 7 K HN 0.370 nan 8.250 nan 0.000 0.427 8 L N 4.504 125.586 121.223 -0.236 0.000 2.361 8 L HA 0.160 4.511 4.340 0.018 0.000 0.278 8 L C 0.474 177.116 176.870 -0.381 0.000 1.113 8 L CA 0.902 55.262 54.840 -0.800 0.000 0.849 8 L CB 0.626 42.024 42.059 -1.101 0.000 1.155 8 L HN 0.825 nan 8.230 nan 0.000 0.452 9 E N 1.979 121.990 120.200 -0.316 0.000 2.399 9 E HA 0.173 4.533 4.350 0.018 0.000 0.205 9 E C -0.114 176.397 176.600 -0.149 0.000 0.906 9 E CA 0.040 56.341 56.400 -0.164 0.000 0.998 9 E CB 0.808 30.460 29.700 -0.079 0.000 1.002 9 E HN 0.553 nan 8.360 nan 0.000 0.501 10 S N 0.382 115.968 115.700 -0.190 0.000 2.533 10 S HA 0.451 4.932 4.470 0.018 0.000 0.271 10 S C -1.502 173.024 174.600 -0.123 0.000 1.143 10 S CA -0.590 57.538 58.200 -0.119 0.000 0.891 10 S CB 1.911 65.073 63.200 -0.064 0.000 1.105 10 S HN -0.066 nan 8.310 nan 0.000 0.468 11 V N 3.862 123.740 119.914 -0.059 0.000 2.577 11 V HA 0.604 4.734 4.120 0.018 0.000 0.303 11 V C -0.859 175.263 176.094 0.046 0.000 1.042 11 V CA -0.618 61.676 62.300 -0.010 0.000 0.872 11 V CB 1.836 33.655 31.823 -0.006 0.000 0.998 11 V HN 0.692 nan 8.190 nan 0.000 0.423 12 V N 6.353 126.322 119.914 0.093 0.000 2.409 12 V HA 0.548 4.678 4.120 0.018 0.000 0.291 12 V C -0.363 175.825 176.094 0.156 0.000 1.020 12 V CA -0.358 62.006 62.300 0.107 0.000 0.848 12 V CB 1.749 33.621 31.823 0.083 0.000 0.990 12 V HN 0.705 nan 8.190 nan 0.000 0.430 13 I N 5.129 125.736 120.570 0.061 0.000 2.389 13 I HA 0.436 4.617 4.170 0.018 0.000 0.288 13 I C -0.540 175.450 176.117 -0.211 0.000 0.999 13 I CA -0.773 60.511 61.300 -0.027 0.000 1.129 13 I CB 2.074 40.072 38.000 -0.003 0.000 1.288 13 I HN 0.271 nan 8.210 nan 0.000 0.444 14 V N 5.315 125.160 119.914 -0.116 0.000 2.333 14 V HA 0.299 4.430 4.120 0.018 0.000 0.274 14 V C 0.176 176.127 176.094 -0.238 0.000 1.028 14 V CA -0.226 61.980 62.300 -0.157 0.000 0.851 14 V CB 1.235 33.090 31.823 0.053 0.000 1.000 14 V HN 0.777 nan 8.190 nan 0.000 0.456 15 S N 5.371 120.804 115.700 -0.445 0.000 2.537 15 S HA 0.629 5.110 4.470 0.018 0.000 0.301 15 S C -0.179 174.293 174.600 -0.214 0.000 1.092 15 S CA -0.796 57.198 58.200 -0.344 0.000 1.048 15 S CB 1.306 64.191 63.200 -0.525 0.000 1.053 15 S HN 0.800 nan 8.310 nan 0.000 0.501 16 R N 1.858 122.275 120.500 -0.138 0.000 2.531 16 R HA 0.307 4.658 4.340 0.018 0.000 0.273 16 R C -0.014 176.172 176.300 -0.189 0.000 1.070 16 R CA -0.395 55.586 56.100 -0.197 0.000 1.112 16 R CB 0.271 30.452 30.300 -0.198 0.000 1.049 16 R HN 0.924 nan 8.270 nan 0.000 0.508 17 H N 0.452 119.463 119.070 -0.099 0.000 2.730 17 H HA 0.316 4.884 4.556 0.019 0.000 0.376 17 H C 0.562 175.890 175.328 0.000 0.000 1.299 17 H CA -0.167 55.842 56.048 -0.066 0.000 1.447 17 H CB 0.165 29.849 29.762 -0.130 0.000 1.493 17 H HN 0.725 nan 8.280 nan 0.000 0.619 18 G N -0.255 108.688 108.800 0.237 0.000 2.553 18 G HA2 0.283 4.254 3.960 0.018 0.000 0.278 18 G HA3 0.283 4.254 3.960 0.018 0.000 0.278 18 G C -0.538 174.502 174.900 0.233 0.000 1.349 18 G CA -0.469 44.736 45.100 0.176 0.000 1.037 18 G HN 0.647 nan 8.290 nan 0.000 0.508 19 V N 0.646 120.650 119.914 0.150 0.000 2.509 19 V HA 0.194 4.324 4.120 0.018 0.000 0.297 19 V C 0.773 176.953 176.094 0.142 0.000 1.014 19 V CA 0.600 62.992 62.300 0.154 0.000 1.127 19 V CB -0.200 31.721 31.823 0.162 0.000 0.925 19 V HN 0.878 nan 8.190 nan 0.000 0.480 20 R N 4.702 125.253 120.500 0.086 0.000 2.750 20 R HA 0.832 5.183 4.340 0.018 0.000 0.281 20 R C -0.424 175.754 176.300 -0.204 0.000 0.972 20 R CA -0.593 55.502 56.100 -0.007 0.000 0.912 20 R CB 1.615 31.872 30.300 -0.072 0.000 1.187 20 R HN 0.643 nan 8.270 nan 0.000 0.464 21 A N 4.234 126.916 122.820 -0.229 0.000 2.492 21 A HA 0.332 4.663 4.320 0.018 0.000 0.254 21 A C -1.941 175.276 177.584 -0.613 0.000 1.091 21 A CA -1.281 50.385 52.037 -0.618 0.000 0.768 21 A CB -0.390 18.499 19.000 -0.185 0.000 1.028 21 A HN 0.709 nan 8.150 nan 0.000 0.498 22 P HA 0.111 nan 4.420 nan 0.000 0.272 22 P C 0.553 177.631 177.300 -0.371 0.000 1.230 22 P CA -0.002 62.781 63.100 -0.528 0.000 0.788 22 P CB 0.512 31.884 31.700 -0.546 0.000 0.949 23 T N -0.111 114.301 114.554 -0.236 0.000 2.667 23 T HA 0.057 4.418 4.350 0.018 0.000 0.305 23 T C 0.406 175.011 174.700 -0.158 0.000 1.022 23 T CA -0.276 61.725 62.100 -0.165 0.000 0.995 23 T CB 0.037 68.834 68.868 -0.117 0.000 1.026 23 T HN 0.346 nan 8.240 nan 0.000 0.527 24 K N 0.648 120.985 120.400 -0.106 0.000 2.436 24 K HA 0.409 4.740 4.320 0.018 0.000 0.275 24 K C 0.219 176.759 176.600 -0.101 0.000 0.999 24 K CA -0.222 56.021 56.287 -0.073 0.000 0.980 24 K CB 0.089 32.564 32.500 -0.042 0.000 0.919 24 K HN 0.794 nan 8.250 nan 0.000 0.484 25 A N 3.232 125.995 122.820 -0.095 0.000 2.548 25 A HA 0.047 4.377 4.320 0.018 0.000 0.247 25 A C 0.451 177.977 177.584 -0.096 0.000 1.067 25 A CA 0.178 52.112 52.037 -0.171 0.000 0.757 25 A CB -0.263 18.658 19.000 -0.132 0.000 0.996 25 A HN 0.836 nan 8.150 nan 0.000 0.504 26 T N 0.417 114.900 114.554 -0.119 0.000 2.816 26 T HA 0.262 4.623 4.350 0.018 0.000 0.282 26 T C 1.030 175.728 174.700 -0.003 0.000 0.993 26 T CA 0.254 62.324 62.100 -0.051 0.000 0.994 26 T CB 0.760 69.597 68.868 -0.052 0.000 1.025 26 T HN 0.588 nan 8.240 nan 0.000 0.529 27 Q N -0.088 119.724 119.800 0.020 0.000 2.124 27 Q HA -0.000 4.351 4.340 0.018 0.000 0.202 27 Q C 1.965 178.008 176.000 0.072 0.000 0.977 27 Q CA 1.484 57.317 55.803 0.049 0.000 0.850 27 Q CB -0.828 27.934 28.738 0.040 0.000 0.901 27 Q HN 0.769 nan 8.270 nan 0.000 0.429 28 L N -0.616 120.641 121.223 0.057 0.000 2.012 28 L HA -0.221 4.130 4.340 0.018 0.000 0.210 28 L C 2.252 179.200 176.870 0.129 0.000 1.073 28 L CA 1.689 56.580 54.840 0.084 0.000 0.748 28 L CB -0.247 41.849 42.059 0.061 0.000 0.891 28 L HN 0.427 nan 8.230 nan 0.000 0.431 29 M N -1.087 118.561 119.600 0.081 0.000 2.202 29 M HA -0.292 4.198 4.480 0.018 0.000 0.262 29 M C 2.100 178.652 176.300 0.419 0.000 1.063 29 M CA 1.819 57.194 55.300 0.125 0.000 1.097 29 M CB -0.226 32.214 32.600 -0.267 0.000 1.382 29 M HN 0.355 nan 8.290 nan 0.000 0.413 30 Q N -0.386 119.591 119.800 0.296 0.000 2.311 30 Q HA -0.107 4.244 4.340 0.018 0.000 0.203 30 Q C 1.009 177.150 176.000 0.235 0.000 0.954 30 Q CA 0.692 56.695 55.803 0.334 0.000 0.885 30 Q CB 0.112 28.984 28.738 0.222 0.000 0.963 30 Q HN 0.450 nan 8.270 nan 0.000 0.471 31 D N -0.013 120.504 120.400 0.196 0.000 2.347 31 D HA -0.074 4.577 4.640 0.018 0.000 0.213 31 D C 1.561 177.973 176.300 0.186 0.000 0.985 31 D CA 0.587 54.675 54.000 0.148 0.000 0.879 31 D CB 0.512 41.384 40.800 0.120 0.000 0.919 31 D HN 0.207 nan 8.370 nan 0.000 0.526 32 V N -2.797 117.289 119.914 0.287 0.000 3.647 32 V HA 0.273 4.403 4.120 0.018 0.000 0.279 32 V C 0.609 176.914 176.094 0.350 0.000 1.314 32 V CA 0.083 62.627 62.300 0.406 0.000 1.125 32 V CB 0.237 32.328 31.823 0.448 0.000 0.907 32 V HN -0.030 nan 8.190 nan 0.000 0.434 33 T N 0.977 115.640 114.554 0.182 0.000 3.041 33 T HA 0.510 4.870 4.350 0.018 0.000 0.321 33 T C -2.470 172.140 174.700 -0.151 0.000 1.184 33 T CA -0.626 61.442 62.100 -0.052 0.000 1.050 33 T CB 2.361 71.055 68.868 -0.289 0.000 1.159 33 T HN 0.086 nan 8.240 nan 0.000 0.469 34 P HA 0.147 nan 4.420 nan 0.000 0.229 34 P C -0.143 176.991 177.300 -0.277 0.000 1.160 34 P CA 0.338 63.318 63.100 -0.200 0.000 0.777 34 P CB 0.267 31.857 31.700 -0.183 0.000 0.814 35 D N 0.465 120.543 120.400 -0.536 0.000 2.312 35 D HA 0.342 4.992 4.640 0.018 0.000 0.248 35 D C 0.227 176.313 176.300 -0.356 0.000 1.086 35 D CA -0.244 53.382 54.000 -0.624 0.000 0.948 35 D CB 1.256 41.219 40.800 -1.395 0.000 1.162 35 D HN -0.027 nan 8.370 nan 0.000 0.446 36 A N 1.159 123.936 122.820 -0.070 0.000 2.328 36 A HA 0.273 4.604 4.320 0.018 0.000 0.284 36 A C -0.758 177.053 177.584 0.379 0.000 1.160 36 A CA -0.549 51.583 52.037 0.158 0.000 0.818 36 A CB 0.039 19.136 19.000 0.161 0.000 1.087 36 A HN 0.479 nan 8.150 nan 0.000 0.504 37 W N 3.610 125.164 121.300 0.422 0.000 2.303 37 W HA 0.361 5.031 4.660 0.017 0.000 0.318 37 W C -1.561 175.126 176.519 0.279 0.000 1.362 37 W CA -1.177 56.425 57.345 0.428 0.000 1.234 37 W CB 0.243 29.898 29.460 0.324 0.000 1.248 37 W HN 0.522 nan 8.180 nan 0.000 0.546 38 P HA 0.027 nan 4.420 nan 0.000 0.268 38 P C 0.016 177.487 177.300 0.284 0.000 1.205 38 P CA -0.022 63.216 63.100 0.229 0.000 0.771 38 P CB 0.692 32.427 31.700 0.059 0.000 0.858 39 T N -0.465 114.210 114.554 0.200 0.000 2.913 39 T HA 0.342 4.702 4.350 0.018 0.000 0.287 39 T C -0.696 174.115 174.700 0.185 0.000 1.008 39 T CA -0.638 61.614 62.100 0.253 0.000 1.067 39 T CB 0.500 69.469 68.868 0.168 0.000 0.996 39 T HN 0.283 nan 8.240 nan 0.000 0.513 40 W N 2.799 124.127 121.300 0.045 0.000 2.349 40 W HA 0.414 5.084 4.660 0.017 0.000 0.309 40 W C -2.045 174.484 176.519 0.017 0.000 1.083 40 W CA -2.519 54.846 57.345 0.033 0.000 1.224 40 W CB 0.865 30.341 29.460 0.028 0.000 1.256 40 W HN 0.525 nan 8.180 nan 0.000 0.461 41 P HA 0.208 nan 4.420 nan 0.000 0.252 41 P C -0.852 176.518 177.300 0.117 0.000 1.727 41 P CA 0.276 63.431 63.100 0.092 0.000 1.134 41 P CB 0.864 32.585 31.700 0.035 0.000 1.876 42 V N 1.952 121.940 119.914 0.124 0.000 2.848 42 V HA 0.114 4.245 4.120 0.018 0.000 0.252 42 V C -0.746 175.359 176.094 0.020 0.000 1.760 42 V CA -1.127 61.233 62.300 0.100 0.000 0.901 42 V CB 1.607 33.541 31.823 0.184 0.000 1.324 42 V HN 0.377 nan 8.190 nan 0.000 0.464 43 K N 5.023 125.348 120.400 -0.124 0.000 2.569 43 K HA 0.150 4.481 4.320 0.018 0.000 0.280 43 K C -0.279 176.165 176.600 -0.260 0.000 0.984 43 K CA 0.170 56.241 56.287 -0.360 0.000 1.064 43 K CB 0.197 32.131 32.500 -0.944 0.000 0.866 43 K HN 0.680 nan 8.250 nan 0.000 0.492 44 L N 3.862 124.941 121.223 -0.240 0.000 2.410 44 L HA 0.168 4.519 4.340 0.018 0.000 0.273 44 L C 1.485 178.280 176.870 -0.125 0.000 1.152 44 L CA 0.533 55.277 54.840 -0.161 0.000 0.855 44 L CB 0.645 42.621 42.059 -0.137 0.000 1.129 44 L HN 1.144 nan 8.230 nan 0.000 0.463 45 G N 1.275 110.041 108.800 -0.057 0.000 2.213 45 G HA2 -0.214 3.756 3.960 0.018 0.000 0.236 45 G HA3 -0.214 3.756 3.960 0.018 0.000 0.236 45 G C -0.325 174.707 174.900 0.221 0.000 0.991 45 G CA -0.584 44.540 45.100 0.041 0.000 0.629 45 G HN 0.476 nan 8.290 nan 0.000 0.517 46 W N 0.221 121.463 121.300 -0.097 0.000 2.359 46 W HA 0.795 5.466 4.660 0.018 0.000 0.344 46 W C 0.498 176.978 176.519 -0.064 0.000 1.170 46 W CA -1.735 55.565 57.345 -0.075 0.000 1.296 46 W CB 0.424 29.863 29.460 -0.036 0.000 1.197 46 W HN 0.171 nan 8.180 nan 0.000 0.618 47 L N 2.592 123.885 121.223 0.118 0.000 2.455 47 L HA 0.186 4.537 4.340 0.018 0.000 0.272 47 L C 1.006 177.965 176.870 0.147 0.000 1.174 47 L CA 0.432 55.316 54.840 0.074 0.000 0.869 47 L CB 0.056 42.117 42.059 0.005 0.000 1.130 47 L HN 0.477 nan 8.230 nan 0.000 0.474 48 T N 3.037 117.685 114.554 0.157 0.000 2.904 48 T HA 0.385 4.745 4.350 0.018 0.000 0.290 48 T C -1.668 173.102 174.700 0.116 0.000 1.018 48 T CA -1.300 60.907 62.100 0.179 0.000 1.075 48 T CB 0.994 70.008 68.868 0.243 0.000 0.986 48 T HN 0.600 nan 8.240 nan 0.000 0.523 49 P HA -0.143 nan 4.420 nan 0.000 0.218 49 P C 1.487 178.800 177.300 0.021 0.000 1.149 49 P CA 0.943 64.075 63.100 0.053 0.000 0.817 49 P CB 0.090 31.820 31.700 0.050 0.000 0.785 50 R N 0.458 120.976 120.500 0.030 0.000 2.096 50 R HA -0.077 4.273 4.340 0.018 0.000 0.235 50 R C 2.497 178.787 176.300 -0.017 0.000 1.127 50 R CA 1.897 57.992 56.100 -0.008 0.000 0.968 50 R CB -1.247 29.058 30.300 0.008 0.000 0.861 50 R HN 0.127 nan 8.270 nan 0.000 0.440 51 G N -0.461 108.364 108.800 0.042 0.000 2.442 51 G HA2 -0.225 3.746 3.960 0.018 0.000 0.219 51 G HA3 -0.225 3.746 3.960 0.018 0.000 0.219 51 G C 1.433 176.340 174.900 0.012 0.000 1.141 51 G CA 0.753 45.882 45.100 0.047 0.000 0.763 51 G HN 0.517 nan 8.290 nan 0.000 0.554 52 G N 0.498 109.300 108.800 0.004 0.000 2.402 52 G HA2 -0.108 3.863 3.960 0.018 0.000 0.216 52 G HA3 -0.108 3.863 3.960 0.018 0.000 0.216 52 G C 1.587 176.443 174.900 -0.073 0.000 1.162 52 G CA 1.011 46.104 45.100 -0.012 0.000 0.777 52 G HN 0.519 nan 8.290 nan 0.000 0.539 53 E N 0.144 120.260 120.200 -0.141 0.000 2.058 53 E HA -0.085 4.276 4.350 0.018 0.000 0.194 53 E C 2.580 178.859 176.600 -0.535 0.000 0.997 53 E CA 0.699 56.907 56.400 -0.321 0.000 0.801 53 E CB -0.247 29.241 29.700 -0.352 0.000 0.746 53 E HN 0.383 nan 8.360 nan 0.000 0.450 54 L N 0.861 121.860 121.223 -0.373 0.000 2.079 54 L HA -0.212 4.139 4.340 0.018 0.000 0.210 54 L C 2.433 179.258 176.870 -0.075 0.000 1.081 54 L CA 0.589 55.267 54.840 -0.271 0.000 0.752 54 L CB -0.373 41.628 42.059 -0.098 0.000 0.896 54 L HN 0.214 nan 8.230 nan 0.000 0.433 55 I N 0.107 120.670 120.570 -0.012 0.000 2.252 55 I HA -0.209 3.972 4.170 0.018 0.000 0.245 55 I C 2.871 179.053 176.117 0.109 0.000 1.102 55 I CA 1.468 62.836 61.300 0.113 0.000 1.385 55 I CB -1.414 36.671 38.000 0.141 0.000 1.064 55 I HN 0.171 nan 8.210 nan 0.000 0.414 56 A N 0.536 123.364 122.820 0.012 0.000 1.908 56 A HA -0.248 4.083 4.320 0.018 0.000 0.218 56 A C 2.195 179.878 177.584 0.166 0.000 1.181 56 A CA 1.517 53.566 52.037 0.021 0.000 0.627 56 A CB -0.973 18.024 19.000 -0.006 0.000 0.818 56 A HN 0.361 nan 8.150 nan 0.000 0.445 57 Y N -0.993 119.324 120.300 0.029 0.000 2.274 57 Y HA -0.114 4.446 4.550 0.017 0.000 0.290 57 Y C 2.198 178.169 175.900 0.118 0.000 1.145 57 Y CA 0.515 58.651 58.100 0.060 0.000 1.203 57 Y CB -0.859 37.622 38.460 0.035 0.000 0.984 57 Y HN 0.189 nan 8.280 nan 0.000 0.533 58 L N -0.621 120.772 121.223 0.284 0.000 2.156 58 L HA -0.032 4.319 4.340 0.018 0.000 0.208 58 L C 2.510 179.512 176.870 0.218 0.000 1.095 58 L CA 1.687 56.705 54.840 0.297 0.000 0.770 58 L CB -1.493 40.767 42.059 0.335 0.000 0.914 58 L HN 0.201 nan 8.230 nan 0.000 0.439 59 G N -2.146 106.613 108.800 -0.069 0.000 2.394 59 G HA2 -0.325 3.646 3.960 0.018 0.000 0.215 59 G HA3 -0.325 3.646 3.960 0.018 0.000 0.215 59 G C 1.608 176.327 174.900 -0.301 0.000 1.165 59 G CA 0.861 45.561 45.100 -0.668 0.000 0.784 59 G HN 0.483 nan 8.290 nan 0.000 0.535 60 H N -0.775 118.204 119.070 -0.152 0.000 2.352 60 H HA -0.168 4.398 4.556 0.018 0.000 0.299 60 H C 2.108 177.395 175.328 -0.069 0.000 1.097 60 H CA 1.914 57.904 56.048 -0.096 0.000 1.311 60 H CB -0.377 29.367 29.762 -0.029 0.000 1.377 60 H HN 0.374 nan 8.280 nan 0.000 0.504 61 Y N 0.691 120.956 120.300 -0.057 0.000 2.181 61 Y HA -0.203 4.358 4.550 0.017 0.000 0.288 61 Y C 2.303 178.147 175.900 -0.094 0.000 1.146 61 Y CA 1.725 59.777 58.100 -0.079 0.000 1.164 61 Y CB -0.241 38.222 38.460 0.006 0.000 0.982 61 Y HN 0.226 nan 8.280 nan 0.000 0.515 62 Q N 0.383 120.044 119.800 -0.231 0.000 2.084 62 Q HA -0.212 4.139 4.340 0.018 0.000 0.202 62 Q C 2.385 178.201 176.000 -0.307 0.000 0.978 62 Q CA 1.794 57.447 55.803 -0.249 0.000 0.844 62 Q CB -0.513 28.269 28.738 0.072 0.000 0.898 62 Q HN 0.382 nan 8.270 nan 0.000 0.426 63 R N 1.150 121.466 120.500 -0.307 0.000 2.080 63 R HA -0.136 4.215 4.340 0.018 0.000 0.236 63 R C 2.115 178.233 176.300 -0.302 0.000 1.137 63 R CA 1.887 57.821 56.100 -0.277 0.000 0.943 63 R CB -0.433 29.697 30.300 -0.282 0.000 0.846 63 R HN 0.314 nan 8.270 nan 0.000 0.431 64 Q N -0.401 119.158 119.800 -0.401 0.000 2.096 64 Q HA -0.184 4.167 4.340 0.018 0.000 0.204 64 Q C 2.154 177.973 176.000 -0.303 0.000 0.982 64 Q CA 1.515 57.115 55.803 -0.339 0.000 0.850 64 Q CB -0.278 28.251 28.738 -0.347 0.000 0.901 64 Q HN 0.203 nan 8.270 nan 0.000 0.422 65 R N 0.738 120.970 120.500 -0.445 0.000 2.075 65 R HA -0.119 4.232 4.340 0.018 0.000 0.232 65 R C 1.964 178.143 176.300 -0.201 0.000 1.126 65 R CA 1.069 56.949 56.100 -0.366 0.000 0.963 65 R CB -0.280 29.658 30.300 -0.604 0.000 0.858 65 R HN 0.223 nan 8.270 nan 0.000 0.435 66 L N 0.501 121.606 121.223 -0.196 0.000 2.217 66 L HA -0.054 4.296 4.340 0.018 0.000 0.211 66 L C 2.458 179.262 176.870 -0.110 0.000 1.107 66 L CA 0.862 55.625 54.840 -0.129 0.000 0.783 66 L CB -0.946 41.048 42.059 -0.108 0.000 0.919 66 L HN -0.041 nan 8.230 nan 0.000 0.442 67 V N -0.192 119.648 119.914 -0.123 0.000 2.379 67 V HA -0.187 3.944 4.120 0.018 0.000 0.245 67 V C 2.673 178.723 176.094 -0.074 0.000 1.044 67 V CA 1.368 63.611 62.300 -0.096 0.000 1.036 67 V CB -0.803 30.956 31.823 -0.106 0.000 0.664 67 V HN 0.451 nan 8.190 nan 0.000 0.453 68 A N -0.647 122.125 122.820 -0.080 0.000 2.019 68 A HA -0.201 4.129 4.320 0.018 0.000 0.219 68 A C 1.807 179.381 177.584 -0.017 0.000 1.164 68 A CA 1.747 53.756 52.037 -0.046 0.000 0.644 68 A CB -0.362 18.609 19.000 -0.048 0.000 0.805 68 A HN 0.542 nan 8.150 nan 0.000 0.449 69 D N -1.362 119.023 120.400 -0.024 0.000 2.339 69 D HA 0.242 4.892 4.640 0.018 0.000 0.217 69 D C 1.307 177.590 176.300 -0.028 0.000 1.050 69 D CA 0.992 54.993 54.000 0.002 0.000 0.856 69 D CB 0.180 40.968 40.800 -0.020 0.000 0.922 69 D HN 0.550 nan 8.370 nan 0.000 0.518 70 G N 1.284 110.061 108.800 -0.039 0.000 2.143 70 G HA2 -0.287 3.684 3.960 0.018 0.000 0.248 70 G HA3 -0.287 3.684 3.960 0.018 0.000 0.248 70 G C 0.893 175.760 174.900 -0.056 0.000 0.991 70 G CA 0.310 45.387 45.100 -0.039 0.000 0.689 70 G HN 0.412 nan 8.290 nan 0.000 0.522 71 L N -1.190 119.987 121.223 -0.076 0.000 2.202 71 L HA 0.436 4.787 4.340 0.018 0.000 0.205 71 L C 1.302 178.136 176.870 -0.061 0.000 1.083 71 L CA 0.928 55.720 54.840 -0.081 0.000 0.790 71 L CB -0.015 41.980 42.059 -0.106 0.000 0.942 71 L HN 0.287 nan 8.230 nan 0.000 0.452 72 L N -1.159 120.026 121.223 -0.063 0.000 2.323 72 L HA 0.539 4.890 4.340 0.018 0.000 0.265 72 L C -0.054 176.783 176.870 -0.054 0.000 1.012 72 L CA -0.791 54.015 54.840 -0.056 0.000 0.820 72 L CB 1.769 43.789 42.059 -0.065 0.000 1.334 72 L HN -0.143 nan 8.230 nan 0.000 0.427 73 A N 0.823 123.616 122.820 -0.046 0.000 2.371 73 A HA 0.232 4.562 4.320 0.018 0.000 0.257 73 A C 0.883 178.437 177.584 -0.050 0.000 1.089 73 A CA -0.255 51.757 52.037 -0.042 0.000 0.794 73 A CB 0.776 19.757 19.000 -0.032 0.000 1.029 73 A HN 0.819 nan 8.150 nan 0.000 0.488 74 K N 0.914 121.286 120.400 -0.046 0.000 2.020 74 K HA -0.179 4.152 4.320 0.018 0.000 0.212 74 K C 0.634 177.206 176.600 -0.046 0.000 1.050 74 K CA 2.371 58.628 56.287 -0.049 0.000 0.929 74 K CB -0.185 32.292 32.500 -0.038 0.000 0.714 74 K HN 0.793 nan 8.250 nan 0.000 0.443 75 K N -1.901 118.478 120.400 -0.035 0.000 2.400 75 K HA 0.622 4.953 4.320 0.018 0.000 0.246 75 K C -0.192 176.392 176.600 -0.027 0.000 0.995 75 K CA -0.766 55.503 56.287 -0.030 0.000 0.840 75 K CB 1.871 34.357 32.500 -0.022 0.000 1.293 75 K HN 0.191 nan 8.250 nan 0.000 0.445 76 G N 0.037 108.823 108.800 -0.024 0.000 2.757 76 G HA2 -0.199 3.771 3.960 0.018 0.000 0.638 76 G HA3 -0.199 3.771 3.960 0.018 0.000 0.638 76 G C -0.607 174.279 174.900 -0.024 0.000 1.344 76 G CA -0.614 44.474 45.100 -0.020 0.000 0.855 76 G HN 0.816 nan 8.290 nan 0.000 0.537 77 c N 2.578 121.167 118.600 -0.019 0.000 2.463 77 c HA 0.668 5.249 4.570 0.018 0.000 0.380 77 c C -0.732 173.347 174.090 -0.017 0.000 1.264 77 c CA -0.471 55.847 56.329 -0.019 0.000 2.161 77 c CB 0.645 43.148 42.510 -0.013 0.000 2.515 77 c HN 0.806 nan 8.230 nan 0.000 0.565 78 P HA 0.060 nan 4.420 nan 0.000 0.269 78 P C -0.527 176.771 177.300 -0.003 0.000 1.209 78 P CA 0.035 63.127 63.100 -0.013 0.000 0.776 78 P CB 0.463 32.156 31.700 -0.011 0.000 0.876 79 Q N 0.585 120.384 119.800 -0.002 0.000 2.414 79 Q HA 0.003 4.354 4.340 0.018 0.000 0.288 79 Q C 0.599 176.605 176.000 0.011 0.000 1.086 79 Q CA 0.567 56.372 55.803 0.003 0.000 0.943 79 Q CB 0.025 28.764 28.738 0.001 0.000 1.282 79 Q HN 0.479 nan 8.270 nan 0.000 0.438 80 S N -0.118 115.590 115.700 0.015 0.000 2.537 80 S HA 0.274 4.754 4.470 0.018 0.000 0.286 80 S C 1.053 175.670 174.600 0.028 0.000 1.299 80 S CA 0.803 59.018 58.200 0.025 0.000 1.067 80 S CB -0.173 63.042 63.200 0.025 0.000 0.864 80 S HN 0.819 nan 8.310 nan 0.000 0.494 81 G N 3.521 112.346 108.800 0.041 0.000 2.162 81 G HA2 -0.322 3.648 3.960 0.018 0.000 0.260 81 G HA3 -0.322 3.648 3.960 0.018 0.000 0.260 81 G C 0.647 175.566 174.900 0.032 0.000 0.976 81 G CA 0.847 45.971 45.100 0.040 0.000 0.655 81 G HN 0.761 nan 8.290 nan 0.000 0.533 82 Q N -0.672 119.144 119.800 0.028 0.000 2.212 82 Q HA 0.319 4.669 4.340 0.018 0.000 0.199 82 Q C 0.639 176.659 176.000 0.033 0.000 0.950 82 Q CA 1.294 57.110 55.803 0.020 0.000 0.863 82 Q CB 0.227 28.970 28.738 0.010 0.000 0.944 82 Q HN 0.491 nan 8.270 nan 0.000 0.465 83 V N 1.418 121.361 119.914 0.048 0.000 2.407 83 V HA 0.649 4.780 4.120 0.018 0.000 0.291 83 V C -0.720 175.433 176.094 0.098 0.000 1.018 83 V CA -0.630 61.715 62.300 0.075 0.000 0.842 83 V CB 1.228 33.095 31.823 0.072 0.000 0.996 83 V HN 0.224 nan 8.190 nan 0.000 0.426 84 A N 6.460 129.345 122.820 0.109 0.000 2.331 84 A HA 0.919 5.250 4.320 0.018 0.000 0.320 84 A C -0.780 176.902 177.584 0.164 0.000 1.138 84 A CA -0.508 51.602 52.037 0.121 0.000 0.790 84 A CB 0.830 19.863 19.000 0.056 0.000 1.206 84 A HN 0.776 nan 8.150 nan 0.000 0.470 85 I N 3.211 123.909 120.570 0.212 0.000 2.418 85 I HA 0.400 4.581 4.170 0.018 0.000 0.287 85 I C -0.848 175.377 176.117 0.180 0.000 1.008 85 I CA -0.208 61.229 61.300 0.228 0.000 1.104 85 I CB 1.635 39.767 38.000 0.219 0.000 1.264 85 I HN 0.509 nan 8.210 nan 0.000 0.438 86 I N 5.407 126.032 120.570 0.092 0.000 2.474 86 I HA 0.731 4.911 4.170 0.018 0.000 0.294 86 I C -0.150 175.984 176.117 0.027 0.000 1.005 86 I CA -0.440 60.834 61.300 -0.045 0.000 1.113 86 I CB 2.057 39.912 38.000 -0.241 0.000 1.289 86 I HN 0.622 nan 8.210 nan 0.000 0.436 87 A N 4.203 127.026 122.820 0.005 0.000 2.498 87 A HA 0.544 4.875 4.320 0.018 0.000 0.298 87 A C -1.068 176.429 177.584 -0.144 0.000 1.075 87 A CA -0.612 51.405 52.037 -0.034 0.000 0.714 87 A CB 1.714 20.692 19.000 -0.036 0.000 1.299 87 A HN 0.632 nan 8.150 nan 0.000 0.407 88 D N 0.103 120.154 120.400 -0.582 0.000 2.363 88 D HA 0.181 4.832 4.640 0.018 0.000 0.240 88 D C 1.704 177.850 176.300 -0.257 0.000 1.236 88 D CA 0.537 54.069 54.000 -0.780 0.000 0.927 88 D CB 1.343 41.456 40.800 -1.146 0.000 1.150 88 D HN 0.681 nan 8.370 nan 0.000 0.458 89 V N -0.911 118.931 119.914 -0.120 0.000 2.759 89 V HA -0.035 4.096 4.120 0.018 0.000 0.256 89 V C 0.527 176.574 176.094 -0.079 0.000 1.080 89 V CA 0.839 63.110 62.300 -0.049 0.000 1.101 89 V CB -0.561 31.268 31.823 0.011 0.000 0.698 89 V HN 0.362 nan 8.190 nan 0.000 0.477 90 D N 1.784 122.128 120.400 -0.094 0.000 2.400 90 D HA -0.004 4.647 4.640 0.018 0.000 0.238 90 D C 1.397 177.588 176.300 -0.181 0.000 1.157 90 D CA 0.982 54.921 54.000 -0.102 0.000 0.889 90 D CB 1.415 42.182 40.800 -0.055 0.000 1.199 90 D HN 0.693 nan 8.370 nan 0.000 0.436 91 E N 2.543 122.588 120.200 -0.258 0.000 2.110 91 E HA -0.279 4.082 4.350 0.018 0.000 0.193 91 E C 1.750 178.134 176.600 -0.360 0.000 0.988 91 E CA 1.504 57.648 56.400 -0.426 0.000 0.804 91 E CB -0.239 28.930 29.700 -0.885 0.000 0.745 91 E HN 0.538 nan 8.360 nan 0.000 0.458 92 R N 0.683 120.996 120.500 -0.311 0.000 2.096 92 R HA -0.102 4.248 4.340 0.018 0.000 0.235 92 R C 2.204 178.390 176.300 -0.189 0.000 1.127 92 R CA 1.924 57.862 56.100 -0.269 0.000 0.968 92 R CB -1.353 28.702 30.300 -0.409 0.000 0.861 92 R HN 0.408 nan 8.270 nan 0.000 0.440 93 T N -1.117 113.316 114.554 -0.201 0.000 2.896 93 T HA 0.053 4.414 4.350 0.018 0.000 0.263 93 T C 1.987 176.628 174.700 -0.098 0.000 1.050 93 T CA 0.559 62.566 62.100 -0.156 0.000 1.140 93 T CB -0.131 68.564 68.868 -0.289 0.000 0.877 93 T HN 0.259 nan 8.240 nan 0.000 0.457 94 R N 1.106 121.531 120.500 -0.125 0.000 2.066 94 R HA 0.050 4.400 4.340 0.018 0.000 0.232 94 R C 2.532 178.794 176.300 -0.065 0.000 1.131 94 R CA 1.050 57.096 56.100 -0.089 0.000 0.955 94 R CB -0.140 30.088 30.300 -0.119 0.000 0.851 94 R HN 0.218 nan 8.270 nan 0.000 0.432 95 K N 0.075 120.412 120.400 -0.104 0.000 2.280 95 K HA -0.047 4.283 4.320 0.018 0.000 0.202 95 K C 1.924 178.520 176.600 -0.008 0.000 1.047 95 K CA 1.226 57.467 56.287 -0.076 0.000 0.942 95 K CB -0.364 32.063 32.500 -0.122 0.000 0.739 95 K HN 0.160 nan 8.250 nan 0.000 0.457 96 T N 0.204 114.774 114.554 0.026 0.000 2.812 96 T HA -0.050 4.310 4.350 0.018 0.000 0.264 96 T C 1.872 176.670 174.700 0.162 0.000 1.042 96 T CA 1.485 63.653 62.100 0.112 0.000 1.140 96 T CB -0.246 68.712 68.868 0.150 0.000 0.870 96 T HN 0.448 nan 8.240 nan 0.000 0.445 97 G N 1.119 110.010 108.800 0.153 0.000 2.402 97 G HA2 -0.156 3.815 3.960 0.018 0.000 0.216 97 G HA3 -0.156 3.815 3.960 0.018 0.000 0.216 97 G C 1.459 176.397 174.900 0.064 0.000 1.162 97 G CA 0.545 45.743 45.100 0.164 0.000 0.777 97 G HN 0.488 nan 8.290 nan 0.000 0.539 98 E N 0.478 120.696 120.200 0.030 0.000 2.072 98 E HA -0.016 4.344 4.350 0.018 0.000 0.191 98 E C 2.943 179.541 176.600 -0.002 0.000 0.985 98 E CA 0.730 57.131 56.400 0.001 0.000 0.801 98 E CB -0.164 29.524 29.700 -0.021 0.000 0.750 98 E HN 0.397 nan 8.360 nan 0.000 0.452 99 A N 0.933 123.761 122.820 0.014 0.000 1.902 99 A HA -0.187 4.144 4.320 0.018 0.000 0.217 99 A C 1.969 179.549 177.584 -0.006 0.000 1.181 99 A CA 1.040 53.080 52.037 0.006 0.000 0.623 99 A CB -0.723 18.292 19.000 0.025 0.000 0.818 99 A HN 0.330 nan 8.150 nan 0.000 0.443 100 F N 0.849 120.690 119.950 -0.181 0.000 2.134 100 F HA -0.067 4.471 4.527 0.018 0.000 0.299 100 F C 2.528 178.169 175.800 -0.265 0.000 1.097 100 F CA 1.342 59.148 58.000 -0.323 0.000 1.264 100 F CB -0.245 38.248 39.000 -0.844 0.000 1.001 100 F HN 0.253 nan 8.300 nan 0.000 0.479 101 A N 0.389 123.141 122.820 -0.113 0.000 1.933 101 A HA -0.099 4.232 4.320 0.018 0.000 0.218 101 A C 2.369 179.863 177.584 -0.151 0.000 1.175 101 A CA 1.648 53.608 52.037 -0.128 0.000 0.628 101 A CB -1.550 17.430 19.000 -0.033 0.000 0.814 101 A HN 0.499 nan 8.150 nan 0.000 0.444 102 A N -0.685 122.071 122.820 -0.108 0.000 1.978 102 A HA 0.087 4.418 4.320 0.018 0.000 0.220 102 A C 2.301 179.830 177.584 -0.092 0.000 1.170 102 A CA 2.031 54.021 52.037 -0.078 0.000 0.636 102 A CB -1.097 17.874 19.000 -0.048 0.000 0.810 102 A HN 0.701 nan 8.150 nan 0.000 0.448 103 G N -0.853 107.856 108.800 -0.153 0.000 2.441 103 G HA2 0.074 4.045 3.960 0.018 0.000 0.212 103 G HA3 0.074 4.045 3.960 0.018 0.000 0.212 103 G C 1.441 176.235 174.900 -0.176 0.000 1.164 103 G CA 0.796 45.827 45.100 -0.115 0.000 0.811 103 G HN 0.433 nan 8.290 nan 0.000 0.535 104 L N 0.797 121.787 121.223 -0.390 0.000 2.046 104 L HA 0.345 4.696 4.340 0.018 0.000 0.208 104 L C 1.397 178.150 176.870 -0.195 0.000 1.077 104 L CA 1.942 56.555 54.840 -0.378 0.000 0.747 104 L CB 0.010 41.756 42.059 -0.520 0.000 0.896 104 L HN 0.201 nan 8.230 nan 0.000 0.432 105 A N -0.212 122.522 122.820 -0.143 0.000 3.158 105 A HA 0.464 4.795 4.320 0.018 0.000 0.302 105 A C -2.649 174.900 177.584 -0.058 0.000 1.162 105 A CA -0.851 51.136 52.037 -0.082 0.000 0.824 105 A CB -0.268 18.691 19.000 -0.070 0.000 1.322 105 A HN 0.106 nan 8.150 nan 0.000 0.510 106 P HA 0.183 nan 4.420 nan 0.000 0.264 106 P C -0.486 176.801 177.300 -0.023 0.000 1.193 106 P CA 1.046 64.129 63.100 -0.029 0.000 0.763 106 P CB 0.654 32.345 31.700 -0.015 0.000 0.810 107 D N -0.739 119.648 120.400 -0.022 0.000 3.070 107 D HA -0.121 4.530 4.640 0.018 0.000 0.210 107 D C -0.283 176.007 176.300 -0.017 0.000 1.103 107 D CA 0.661 54.651 54.000 -0.017 0.000 0.980 107 D CB -1.924 38.868 40.800 -0.013 0.000 1.100 107 D HN 0.373 nan 8.370 nan 0.000 0.423 108 c N 0.732 119.320 118.600 -0.021 0.000 2.399 108 c HA 0.808 5.388 4.570 0.018 0.000 0.348 108 c C 1.019 175.100 174.090 -0.015 0.000 1.183 108 c CA -0.488 55.831 56.329 -0.017 0.000 2.023 108 c CB 1.555 44.052 42.510 -0.021 0.000 2.361 108 c HN 0.464 nan 8.230 nan 0.000 0.521 109 A N 2.577 125.392 122.820 -0.009 0.000 2.506 109 A HA 0.648 4.979 4.320 0.018 0.000 0.320 109 A C -0.418 177.165 177.584 -0.001 0.000 1.424 109 A CA 0.011 52.043 52.037 -0.007 0.000 1.044 109 A CB -0.452 18.546 19.000 -0.004 0.000 1.140 109 A HN 0.796 nan 8.150 nan 0.000 0.538 110 I N 2.509 123.077 120.570 -0.004 0.000 2.382 110 I HA 0.178 4.359 4.170 0.018 0.000 0.285 110 I C 0.138 176.252 176.117 -0.006 0.000 1.007 110 I CA -0.307 61.000 61.300 0.011 0.000 1.142 110 I CB 1.967 39.978 38.000 0.018 0.000 1.289 110 I HN 0.397 nan 8.210 nan 0.000 0.453 111 T N 5.665 120.206 114.554 -0.022 0.000 2.870 111 T HA 0.182 4.543 4.350 0.018 0.000 0.300 111 T C 0.137 174.751 174.700 -0.143 0.000 0.989 111 T CA -0.146 61.873 62.100 -0.134 0.000 1.139 111 T CB 1.009 69.714 68.868 -0.271 0.000 0.920 111 T HN 0.181 nan 8.240 nan 0.000 0.537 112 V N 6.397 126.227 119.914 -0.141 0.000 2.334 112 V HA 0.170 4.300 4.120 0.018 0.000 0.267 112 V C 0.434 176.460 176.094 -0.115 0.000 1.040 112 V CA -0.724 61.544 62.300 -0.053 0.000 0.866 112 V CB -0.042 31.771 31.823 -0.017 0.000 1.019 112 V HN 0.822 nan 8.190 nan 0.000 0.468 113 H N 3.659 122.748 119.070 0.032 0.000 2.646 113 H HA 0.486 5.052 4.556 0.018 0.000 0.325 113 H C 0.468 175.807 175.328 0.019 0.000 1.075 113 H CA 0.111 56.191 56.048 0.052 0.000 1.421 113 H CB 1.732 31.541 29.762 0.080 0.000 1.461 113 H HN 0.730 nan 8.280 nan 0.000 0.525 114 T N -0.191 114.492 114.554 0.215 0.000 2.865 114 T HA 0.177 4.537 4.350 0.018 0.000 0.294 114 T C -0.223 174.702 174.700 0.376 0.000 1.119 114 T CA -1.193 61.036 62.100 0.215 0.000 1.007 114 T CB 2.264 71.192 68.868 0.101 0.000 1.225 114 T HN 0.601 nan 8.240 nan 0.000 0.515 115 Q N 0.406 120.441 119.800 0.392 0.000 2.330 115 Q HA 0.407 4.758 4.340 0.018 0.000 0.279 115 Q C 1.473 177.567 176.000 0.156 0.000 1.024 115 Q CA 0.147 56.117 55.803 0.278 0.000 0.900 115 Q CB 0.728 29.608 28.738 0.238 0.000 1.221 115 Q HN 0.894 nan 8.270 nan 0.000 0.396 116 A N 3.930 126.815 122.820 0.107 0.000 1.908 116 A HA -0.169 4.161 4.320 0.018 0.000 0.218 116 A C 0.820 178.437 177.584 0.055 0.000 1.181 116 A CA 1.659 53.739 52.037 0.072 0.000 0.627 116 A CB -0.227 18.803 19.000 0.051 0.000 0.818 116 A HN 0.876 nan 8.150 nan 0.000 0.445 117 D N 0.331 120.761 120.400 0.051 0.000 2.435 117 D HA 0.184 4.835 4.640 0.018 0.000 0.230 117 D C 1.181 177.510 176.300 0.048 0.000 1.215 117 D CA 0.650 54.674 54.000 0.041 0.000 0.947 117 D CB 0.411 41.231 40.800 0.034 0.000 1.048 117 D HN 0.297 nan 8.370 nan 0.000 0.512 118 T N -0.662 113.915 114.554 0.039 0.000 3.148 118 T HA -0.080 4.281 4.350 0.018 0.000 0.253 118 T C 1.599 176.315 174.700 0.026 0.000 1.134 118 T CA 0.554 62.673 62.100 0.032 0.000 1.051 118 T CB -0.154 68.722 68.868 0.014 0.000 0.959 118 T HN 0.217 nan 8.240 nan 0.000 0.525 119 S N 0.976 116.693 115.700 0.028 0.000 2.528 119 S HA 0.182 4.663 4.470 0.018 0.000 0.219 119 S C 0.934 175.549 174.600 0.026 0.000 0.985 119 S CA -0.071 58.145 58.200 0.026 0.000 0.914 119 S CB -0.272 62.943 63.200 0.024 0.000 0.776 119 S HN 0.685 nan 8.310 nan 0.000 0.526 120 S N 1.572 117.290 115.700 0.031 0.000 2.600 120 S HA 0.722 5.203 4.470 0.018 0.000 0.300 120 S C -3.187 171.439 174.600 0.044 0.000 1.087 120 S CA -1.726 56.493 58.200 0.032 0.000 0.965 120 S CB 1.499 64.716 63.200 0.029 0.000 1.089 120 S HN 0.190 nan 8.310 nan 0.000 0.496 121 P HA 0.194 nan 4.420 nan 0.000 0.272 121 P C -1.139 176.222 177.300 0.102 0.000 1.223 121 P CA 0.037 63.177 63.100 0.066 0.000 0.784 121 P CB 0.351 32.081 31.700 0.050 0.000 0.923 122 D N 2.943 123.444 120.400 0.167 0.000 2.317 122 D HA 0.136 4.787 4.640 0.018 0.000 0.234 122 D C -1.323 175.124 176.300 0.245 0.000 1.112 122 D CA -2.570 51.576 54.000 0.243 0.000 0.840 122 D CB 0.891 41.930 40.800 0.398 0.000 1.078 122 D HN 0.156 nan 8.370 nan 0.000 0.486 123 P HA -0.128 nan 4.420 nan 0.000 0.228 123 P C 1.807 179.147 177.300 0.067 0.000 1.151 123 P CA 0.212 63.368 63.100 0.093 0.000 0.770 123 P CB 0.571 32.297 31.700 0.044 0.000 0.786 124 L N -1.224 120.039 121.223 0.066 0.000 2.042 124 L HA -0.133 4.218 4.340 0.018 0.000 0.210 124 L C 1.898 178.594 176.870 -0.291 0.000 1.076 124 L CA 1.848 56.596 54.840 -0.153 0.000 0.749 124 L CB -0.525 41.368 42.059 -0.276 0.000 0.893 124 L HN -0.087 nan 8.230 nan 0.000 0.432 125 F N -0.742 119.256 119.950 0.080 0.000 2.797 125 F HA 0.129 4.667 4.527 0.017 0.000 0.302 125 F C 0.434 176.268 175.800 0.055 0.000 1.130 125 F CA -0.063 57.988 58.000 0.085 0.000 1.387 125 F CB 0.038 39.121 39.000 0.139 0.000 1.107 125 F HN 0.182 nan 8.300 nan 0.000 0.577 126 N N -0.282 118.509 118.700 0.151 0.000 4.036 126 N HA 0.034 4.785 4.740 0.018 0.000 0.178 126 N C -2.377 173.161 175.510 0.047 0.000 1.378 126 N CA -0.862 52.236 53.050 0.080 0.000 0.851 126 N CB 0.697 39.225 38.487 0.069 0.000 1.714 126 N HN -0.261 nan 8.380 nan 0.000 0.771 127 P HA -0.074 nan 4.420 nan 0.000 0.222 127 P C 1.402 178.703 177.300 0.003 0.000 1.147 127 P CA 0.564 63.669 63.100 0.008 0.000 0.790 127 P CB 0.668 32.363 31.700 -0.008 0.000 0.780 128 L N -0.050 121.172 121.223 -0.001 0.000 2.056 128 L HA -0.099 4.252 4.340 0.018 0.000 0.207 128 L C 2.873 179.739 176.870 -0.006 0.000 1.078 128 L CA 1.513 56.347 54.840 -0.010 0.000 0.749 128 L CB -0.884 41.164 42.059 -0.019 0.000 0.901 128 L HN -0.049 nan 8.230 nan 0.000 0.433 129 K N -0.025 120.375 120.400 0.001 0.000 2.209 129 K HA -0.162 4.168 4.320 0.018 0.000 0.204 129 K C 1.658 178.262 176.600 0.006 0.000 1.048 129 K CA 1.738 58.026 56.287 0.002 0.000 0.940 129 K CB 0.044 32.549 32.500 0.008 0.000 0.729 129 K HN 0.412 nan 8.250 nan 0.000 0.451 130 T N -3.924 110.637 114.554 0.011 0.000 3.105 130 T HA 0.248 4.609 4.350 0.018 0.000 0.253 130 T C 0.968 175.669 174.700 0.002 0.000 1.047 130 T CA 0.182 62.288 62.100 0.009 0.000 0.944 130 T CB 0.717 69.596 68.868 0.018 0.000 1.016 130 T HN 0.287 nan 8.240 nan 0.000 0.544 131 G N 0.830 109.628 108.800 -0.003 0.000 2.143 131 G HA2 -0.293 3.677 3.960 0.018 0.000 0.248 131 G HA3 -0.293 3.677 3.960 0.018 0.000 0.248 131 G C 0.802 175.697 174.900 -0.009 0.000 0.991 131 G CA 0.163 45.259 45.100 -0.007 0.000 0.689 131 G HN 0.515 nan 8.290 nan 0.000 0.522 132 V N -0.471 119.438 119.914 -0.009 0.000 2.407 132 V HA -0.005 4.126 4.120 0.018 0.000 0.248 132 V C 1.910 177.995 176.094 -0.016 0.000 1.055 132 V CA 1.939 64.231 62.300 -0.012 0.000 1.049 132 V CB -0.675 31.140 31.823 -0.012 0.000 0.662 132 V HN 1.572 nan 8.190 nan 0.000 0.455 133 c N -2.113 116.478 118.600 -0.016 0.000 3.320 133 c HA 0.764 5.344 4.570 0.018 0.000 0.335 133 c C -1.090 172.988 174.090 -0.020 0.000 1.430 133 c CA -1.074 55.244 56.329 -0.019 0.000 1.271 133 c CB 1.524 44.021 42.510 -0.022 0.000 1.609 133 c HN 0.399 nan 8.230 nan 0.000 0.457 134 Q N 0.459 120.246 119.800 -0.022 0.000 2.484 134 Q HA 0.727 5.078 4.340 0.018 0.000 0.285 134 Q C -1.196 174.788 176.000 -0.027 0.000 1.097 134 Q CA -0.690 55.099 55.803 -0.024 0.000 0.802 134 Q CB 2.264 30.989 28.738 -0.022 0.000 1.444 134 Q HN 0.700 nan 8.270 nan 0.000 0.429 135 L N 0.893 122.098 121.223 -0.030 0.000 2.418 135 L HA 0.258 4.609 4.340 0.018 0.000 0.265 135 L C -0.007 176.843 176.870 -0.032 0.000 1.143 135 L CA -0.553 54.266 54.840 -0.035 0.000 0.809 135 L CB 0.507 42.541 42.059 -0.041 0.000 1.124 135 L HN 0.597 nan 8.230 nan 0.000 0.456 136 D N 1.800 122.180 120.400 -0.033 0.000 2.393 136 D HA 0.063 4.713 4.640 0.018 0.000 0.232 136 D C 0.880 177.160 176.300 -0.033 0.000 1.192 136 D CA 0.091 54.073 54.000 -0.030 0.000 0.882 136 D CB 0.419 41.202 40.800 -0.029 0.000 1.038 136 D HN 0.463 nan 8.370 nan 0.000 0.499 137 N N 2.571 121.252 118.700 -0.031 0.000 2.037 137 N HA -0.287 4.464 4.740 0.018 0.000 0.196 137 N C 1.502 176.992 175.510 -0.034 0.000 1.034 137 N CA 1.644 54.675 53.050 -0.033 0.000 0.861 137 N CB 0.049 38.519 38.487 -0.029 0.000 1.039 137 N HN 0.493 nan 8.380 nan 0.000 0.427 138 A N 1.215 124.018 122.820 -0.029 0.000 1.898 138 A HA -0.152 4.178 4.320 0.018 0.000 0.216 138 A C 1.988 179.554 177.584 -0.030 0.000 1.181 138 A CA 1.229 53.249 52.037 -0.027 0.000 0.620 138 A CB -0.776 18.211 19.000 -0.022 0.000 0.819 138 A HN 0.382 nan 8.150 nan 0.000 0.442 139 N N -0.251 118.431 118.700 -0.031 0.000 2.188 139 N HA -0.121 4.630 4.740 0.018 0.000 0.184 139 N C 1.616 177.101 175.510 -0.042 0.000 1.018 139 N CA 1.354 54.385 53.050 -0.033 0.000 0.858 139 N CB -0.020 38.448 38.487 -0.031 0.000 0.989 139 N HN 0.239 nan 8.380 nan 0.000 0.426 140 V N 0.660 120.545 119.914 -0.047 0.000 2.358 140 V HA -0.166 3.965 4.120 0.018 0.000 0.246 140 V C 2.195 178.249 176.094 -0.067 0.000 1.047 140 V CA 1.654 63.918 62.300 -0.061 0.000 1.035 140 V CB -0.680 31.105 31.823 -0.063 0.000 0.658 140 V HN 0.397 nan 8.190 nan 0.000 0.452 141 T N -0.331 114.189 114.554 -0.056 0.000 2.652 141 T HA -0.226 4.135 4.350 0.018 0.000 0.267 141 T C 1.696 176.364 174.700 -0.053 0.000 1.039 141 T CA 1.829 63.896 62.100 -0.055 0.000 1.153 141 T CB -0.389 68.453 68.868 -0.043 0.000 0.863 141 T HN 0.477 nan 8.240 nan 0.000 0.428 142 D N 1.159 121.534 120.400 -0.042 0.000 2.097 142 D HA -0.049 4.601 4.640 0.018 0.000 0.195 142 D C 2.453 178.728 176.300 -0.042 0.000 0.989 142 D CA 1.343 55.322 54.000 -0.035 0.000 0.827 142 D CB -0.397 40.388 40.800 -0.026 0.000 0.966 142 D HN 0.391 nan 8.370 nan 0.000 0.456 143 A N 0.968 123.756 122.820 -0.052 0.000 1.908 143 A HA -0.171 4.160 4.320 0.018 0.000 0.218 143 A C 2.391 179.920 177.584 -0.091 0.000 1.181 143 A CA 1.077 53.075 52.037 -0.064 0.000 0.627 143 A CB -0.711 18.246 19.000 -0.072 0.000 0.818 143 A HN 0.209 nan 8.150 nan 0.000 0.445 144 I N -0.727 119.777 120.570 -0.109 0.000 2.286 144 I HA -0.169 4.012 4.170 0.018 0.000 0.245 144 I C 2.138 178.182 176.117 -0.122 0.000 1.104 144 I CA 0.512 61.721 61.300 -0.151 0.000 1.397 144 I CB -0.259 37.643 38.000 -0.163 0.000 1.072 144 I HN 0.196 nan 8.210 nan 0.000 0.417 145 L N 0.236 121.412 121.223 -0.078 0.000 2.046 145 L HA -0.205 4.146 4.340 0.018 0.000 0.208 145 L C 2.744 179.610 176.870 -0.005 0.000 1.077 145 L CA 1.716 56.530 54.840 -0.042 0.000 0.747 145 L CB -1.533 40.511 42.059 -0.026 0.000 0.896 145 L HN 0.216 nan 8.230 nan 0.000 0.432 146 S N -0.480 115.215 115.700 -0.008 0.000 2.356 146 S HA -0.159 4.322 4.470 0.018 0.000 0.223 146 S C 2.031 176.660 174.600 0.049 0.000 1.032 146 S CA 0.865 59.077 58.200 0.019 0.000 1.005 146 S CB -0.003 63.200 63.200 0.005 0.000 0.867 146 S HN 0.401 nan 8.310 nan 0.000 0.449 147 R N 0.755 121.264 120.500 0.015 0.000 2.237 147 R HA 0.105 4.456 4.340 0.018 0.000 0.219 147 R C 2.138 178.573 176.300 0.226 0.000 1.080 147 R CA 0.940 57.087 56.100 0.079 0.000 0.995 147 R CB -0.452 29.760 30.300 -0.146 0.000 0.875 147 R HN 0.464 nan 8.270 nan 0.000 0.462 148 A N 0.523 123.414 122.820 0.119 0.000 2.238 148 A HA 0.226 4.557 4.320 0.018 0.000 0.208 148 A C 1.437 179.231 177.584 0.351 0.000 1.177 148 A CA 0.788 52.950 52.037 0.208 0.000 0.804 148 A CB -0.034 18.940 19.000 -0.044 0.000 0.823 148 A HN 0.430 nan 8.150 nan 0.000 0.482 149 G N -3.039 105.904 108.800 0.238 0.000 2.141 149 G HA2 0.164 4.134 3.960 0.018 0.000 0.242 149 G HA3 0.164 4.134 3.960 0.018 0.000 0.242 149 G C 1.377 176.379 174.900 0.171 0.000 0.982 149 G CA 0.850 46.080 45.100 0.216 0.000 0.662 149 G HN 2.038 nan 8.290 nan 0.000 0.527 150 G N -1.940 106.934 108.800 0.123 0.000 2.697 150 G HA2 0.361 4.331 3.960 0.018 0.000 0.200 150 G HA3 0.361 4.331 3.960 0.018 0.000 0.200 150 G C 0.531 175.470 174.900 0.064 0.000 1.106 150 G CA 1.257 46.408 45.100 0.084 0.000 0.748 150 G HN 2.633 nan 8.290 nan 0.000 0.503 151 S N -0.788 114.963 115.700 0.085 0.000 2.611 151 S HA 0.676 5.157 4.470 0.018 0.000 0.268 151 S C 0.718 175.371 174.600 0.089 0.000 1.156 151 S CA -0.194 58.040 58.200 0.057 0.000 0.817 151 S CB 0.845 64.070 63.200 0.042 0.000 1.122 151 S HN 0.446 nan 8.310 nan 0.000 0.466 152 I N 1.113 121.715 120.570 0.054 0.000 2.394 152 I HA -0.031 4.150 4.170 0.018 0.000 0.251 152 I C 2.823 179.025 176.117 0.142 0.000 1.136 152 I CA 1.827 63.180 61.300 0.089 0.000 1.425 152 I CB -2.142 35.875 38.000 0.029 0.000 1.079 152 I HN 0.879 nan 8.210 nan 0.000 0.425 153 A N 0.506 123.369 122.820 0.071 0.000 1.933 153 A HA -0.203 4.128 4.320 0.018 0.000 0.218 153 A C 2.070 179.669 177.584 0.025 0.000 1.175 153 A CA 1.690 53.746 52.037 0.031 0.000 0.628 153 A CB -0.550 18.451 19.000 0.002 0.000 0.814 153 A HN 0.363 nan 8.150 nan 0.000 0.444 154 D N -1.348 119.084 120.400 0.054 0.000 2.144 154 D HA -0.120 4.531 4.640 0.018 0.000 0.200 154 D C 1.638 177.981 176.300 0.072 0.000 0.978 154 D CA 1.112 55.109 54.000 -0.005 0.000 0.833 154 D CB -0.229 40.638 40.800 0.112 0.000 0.961 154 D HN 0.431 nan 8.370 nan 0.000 0.470 155 F N 2.073 122.072 119.950 0.082 0.000 2.046 155 F HA -0.261 4.275 4.527 0.014 0.000 0.297 155 F C 2.726 178.615 175.800 0.148 0.000 1.123 155 F CA 2.305 60.403 58.000 0.163 0.000 1.199 155 F CB -0.789 38.300 39.000 0.148 0.000 0.972 155 F HN -0.042 nan 8.300 nan 0.000 0.474 156 T N -2.220 112.459 114.554 0.209 0.000 2.833 156 T HA -0.057 4.304 4.350 0.018 0.000 0.269 156 T C 2.302 176.994 174.700 -0.014 0.000 1.054 156 T CA 1.061 63.216 62.100 0.090 0.000 1.135 156 T CB -1.556 67.263 68.868 -0.082 0.000 0.869 156 T HN 0.333 nan 8.240 nan 0.000 0.466 157 G N 1.155 109.900 108.800 -0.093 0.000 2.440 157 G HA2 -0.235 3.735 3.960 0.018 0.000 0.218 157 G HA3 -0.235 3.735 3.960 0.018 0.000 0.218 157 G C 1.499 176.301 174.900 -0.163 0.000 1.154 157 G CA 0.707 45.705 45.100 -0.171 0.000 0.767 157 G HN 0.622 nan 8.290 nan 0.000 0.552 158 H N 0.204 119.265 119.070 -0.015 0.000 2.559 158 H HA 0.131 4.701 4.556 0.022 0.000 0.273 158 H C 1.531 176.828 175.328 -0.050 0.000 1.000 158 H CA 0.641 56.666 56.048 -0.039 0.000 1.195 158 H CB 0.322 30.043 29.762 -0.067 0.000 1.368 158 H HN 0.356 nan 8.280 nan 0.000 0.592 159 R N 0.323 120.862 120.500 0.066 0.000 2.629 159 R HA 0.097 4.448 4.340 0.018 0.000 0.386 159 R C 1.246 177.679 176.300 0.221 0.000 1.071 159 R CA -0.178 55.968 56.100 0.077 0.000 1.104 159 R CB 0.699 30.988 30.300 -0.019 0.000 1.370 159 R HN 0.029 nan 8.270 nan 0.000 0.574 160 Q N 0.380 120.286 119.800 0.177 0.000 2.181 160 Q HA -0.118 4.232 4.340 0.018 0.000 0.205 160 Q C 1.411 177.506 176.000 0.158 0.000 0.980 160 Q CA 1.825 57.742 55.803 0.191 0.000 0.862 160 Q CB -0.048 28.736 28.738 0.077 0.000 0.905 160 Q HN 0.231 nan 8.270 nan 0.000 0.429 161 T N 0.821 115.430 114.554 0.092 0.000 2.759 161 T HA -0.128 4.233 4.350 0.018 0.000 0.269 161 T C 1.721 176.437 174.700 0.026 0.000 1.042 161 T CA 1.392 63.524 62.100 0.053 0.000 1.140 161 T CB -0.132 68.759 68.868 0.040 0.000 0.864 161 T HN 0.420 nan 8.240 nan 0.000 0.455 162 A N 0.363 123.181 122.820 -0.003 0.000 1.929 162 A HA 0.118 4.449 4.320 0.018 0.000 0.216 162 A C 1.912 179.409 177.584 -0.145 0.000 1.176 162 A CA 0.927 52.902 52.037 -0.103 0.000 0.628 162 A CB -0.798 18.088 19.000 -0.189 0.000 0.816 162 A HN 0.447 nan 8.150 nan 0.000 0.444 163 F N 0.064 120.009 119.950 -0.009 0.000 2.146 163 F HA -0.082 4.456 4.527 0.017 0.000 0.298 163 F C 2.526 178.308 175.800 -0.030 0.000 1.096 163 F CA 1.627 59.615 58.000 -0.020 0.000 1.275 163 F CB -0.240 38.740 39.000 -0.032 0.000 1.008 163 F HN 0.088 nan 8.300 nan 0.000 0.480 164 R N -0.310 120.280 120.500 0.151 0.000 2.115 164 R HA -0.164 4.187 4.340 0.018 0.000 0.230 164 R C 2.030 178.352 176.300 0.038 0.000 1.111 164 R CA 1.286 57.438 56.100 0.086 0.000 0.976 164 R CB -0.295 30.047 30.300 0.070 0.000 0.870 164 R HN 0.161 nan 8.270 nan 0.000 0.445 165 E N 1.015 121.215 120.200 0.000 0.000 2.047 165 E HA -0.170 4.190 4.350 0.018 0.000 0.191 165 E C 1.705 178.288 176.600 -0.028 0.000 0.987 165 E CA 0.854 57.226 56.400 -0.046 0.000 0.799 165 E CB -0.175 29.470 29.700 -0.092 0.000 0.752 165 E HN 0.133 nan 8.360 nan 0.000 0.449 166 L N 1.194 122.416 121.223 -0.001 0.000 2.042 166 L HA -0.143 4.208 4.340 0.018 0.000 0.210 166 L C 1.843 178.768 176.870 0.091 0.000 1.076 166 L CA 2.035 56.915 54.840 0.067 0.000 0.749 166 L CB -0.598 41.505 42.059 0.073 0.000 0.893 166 L HN 0.176 nan 8.230 nan 0.000 0.432 167 E N -0.868 119.368 120.200 0.059 0.000 2.118 167 E HA -0.242 4.118 4.350 0.018 0.000 0.195 167 E C 2.293 178.966 176.600 0.123 0.000 0.992 167 E CA 0.898 57.350 56.400 0.087 0.000 0.804 167 E CB -0.198 29.555 29.700 0.089 0.000 0.741 167 E HN 0.379 nan 8.360 nan 0.000 0.458 168 R N 0.743 121.279 120.500 0.059 0.000 2.066 168 R HA -0.115 4.235 4.340 0.018 0.000 0.232 168 R C 2.287 178.587 176.300 0.001 0.000 1.131 168 R CA 1.106 57.218 56.100 0.021 0.000 0.955 168 R CB -0.390 29.897 30.300 -0.021 0.000 0.851 168 R HN 0.101 nan 8.270 nan 0.000 0.432 169 V N 1.540 121.443 119.914 -0.020 0.000 2.407 169 V HA -0.232 3.899 4.120 0.018 0.000 0.248 169 V C 2.316 178.471 176.094 0.103 0.000 1.055 169 V CA 1.494 63.765 62.300 -0.048 0.000 1.049 169 V CB -0.341 31.341 31.823 -0.234 0.000 0.662 169 V HN 0.306 nan 8.190 nan 0.000 0.455 170 L N -0.253 121.063 121.223 0.155 0.000 2.418 170 L HA 0.102 4.452 4.340 0.018 0.000 0.218 170 L C 1.292 178.133 176.870 -0.048 0.000 1.125 170 L CA 0.483 55.397 54.840 0.122 0.000 0.835 170 L CB -0.416 41.804 42.059 0.269 0.000 0.953 170 L HN 0.472 nan 8.230 nan 0.000 0.454 171 N N -0.326 118.379 118.700 0.009 0.000 2.738 171 N HA -0.291 4.460 4.740 0.018 0.000 0.249 171 N C 0.699 176.234 175.510 0.043 0.000 1.047 171 N CA 0.307 53.344 53.050 -0.021 0.000 0.707 171 N CB -1.227 37.179 38.487 -0.135 0.000 0.937 171 N HN 0.274 nan 8.380 nan 0.000 0.545 172 F N 2.171 122.106 119.950 -0.026 0.000 2.120 172 F HA -0.043 4.495 4.527 0.019 0.000 0.300 172 F C -0.523 175.274 175.800 -0.005 0.000 1.095 172 F CA 2.162 60.166 58.000 0.007 0.000 1.249 172 F CB -0.868 38.165 39.000 0.054 0.000 0.995 172 F HN 0.246 nan 8.300 nan 0.000 0.480 173 P HA -0.203 nan 4.420 nan 0.000 0.226 173 P C 0.336 177.516 177.300 -0.200 0.000 1.146 173 P CA 1.561 64.546 63.100 -0.192 0.000 0.773 173 P CB -0.214 31.457 31.700 -0.048 0.000 0.772 174 Q N -0.189 119.514 119.800 -0.162 0.000 2.172 174 Q HA 0.137 4.488 4.340 0.018 0.000 0.217 174 Q C 0.599 176.509 176.000 -0.150 0.000 0.832 174 Q CA -0.204 55.515 55.803 -0.140 0.000 1.010 174 Q CB 0.443 29.114 28.738 -0.110 0.000 1.133 174 Q HN 0.251 nan 8.270 nan 0.000 0.489 175 S N -0.570 115.009 115.700 -0.202 0.000 2.652 175 S HA 0.233 4.714 4.470 0.018 0.000 0.270 175 S C 0.918 175.433 174.600 -0.143 0.000 1.243 175 S CA -0.716 57.397 58.200 -0.146 0.000 0.999 175 S CB 1.061 64.199 63.200 -0.103 0.000 0.973 175 S HN 0.071 nan 8.310 nan 0.000 0.544 176 N N 0.313 118.973 118.700 -0.067 0.000 2.069 176 N HA -0.100 4.651 4.740 0.018 0.000 0.191 176 N C 1.597 177.068 175.510 -0.065 0.000 1.031 176 N CA 1.041 54.062 53.050 -0.049 0.000 0.852 176 N CB -1.028 37.456 38.487 -0.005 0.000 1.018 176 N HN 0.597 nan 8.380 nan 0.000 0.423 177 L N 1.029 122.224 121.223 -0.046 0.000 2.051 177 L HA -0.238 4.113 4.340 0.018 0.000 0.214 177 L C 2.324 179.114 176.870 -0.133 0.000 1.076 177 L CA 1.619 56.440 54.840 -0.032 0.000 0.758 177 L CB -0.563 41.549 42.059 0.088 0.000 0.890 177 L HN 0.199 nan 8.230 nan 0.000 0.433 178 c N -1.524 116.889 118.600 -0.312 0.000 2.486 178 c HA -0.056 4.525 4.570 0.018 0.000 0.279 178 c C 2.647 176.633 174.090 -0.172 0.000 1.302 178 c CA 0.302 56.437 56.329 -0.323 0.000 1.720 178 c CB -0.816 41.388 42.510 -0.508 0.000 2.030 178 c HN 0.516 nan 8.230 nan 0.000 0.490 179 L N 0.506 121.642 121.223 -0.146 0.000 2.017 179 L HA -0.138 4.213 4.340 0.018 0.000 0.208 179 L C 1.641 178.473 176.870 -0.063 0.000 1.073 179 L CA 1.521 56.306 54.840 -0.092 0.000 0.745 179 L CB -0.695 41.318 42.059 -0.078 0.000 0.894 179 L HN 0.384 nan 8.230 nan 0.000 0.432 180 K N 0.646 121.014 120.400 -0.053 0.000 3.165 180 K HA 0.045 4.375 4.320 0.018 0.000 0.270 180 K C 0.434 177.019 176.600 -0.024 0.000 1.111 180 K CA -0.110 56.158 56.287 -0.031 0.000 1.216 180 K CB -0.088 32.401 32.500 -0.018 0.000 1.229 180 K HN 0.218 nan 8.250 nan 0.000 0.435 188 c N 3.866 122.499 118.600 0.055 0.000 2.482 188 c HA 0.801 5.382 4.570 0.018 0.000 0.378 188 c C 0.647 174.901 174.090 0.273 0.000 1.284 188 c CA 0.239 56.629 56.329 0.101 0.000 1.826 188 c CB -0.690 41.792 42.510 -0.046 0.000 2.473 188 c HN 0.833 nan 8.230 nan 0.000 0.562 189 S N 5.192 121.076 115.700 0.307 0.000 2.571 189 S HA 0.434 4.914 4.470 0.018 0.000 0.284 189 S C 0.553 175.251 174.600 0.163 0.000 1.128 189 S CA -0.794 57.546 58.200 0.234 0.000 0.970 189 S CB 1.150 64.394 63.200 0.074 0.000 1.039 189 S HN 0.817 nan 8.310 nan 0.000 0.485 190 L N 3.244 124.387 121.223 -0.133 0.000 2.012 190 L HA -0.089 4.262 4.340 0.018 0.000 0.210 190 L C 2.827 179.600 176.870 -0.161 0.000 1.073 190 L CA 2.145 56.820 54.840 -0.275 0.000 0.748 190 L CB -0.675 41.158 42.059 -0.377 0.000 0.891 190 L HN 0.973 nan 8.230 nan 0.000 0.431 191 T N -4.108 110.276 114.554 -0.284 0.000 2.951 191 T HA -0.210 4.150 4.350 0.018 0.000 0.268 191 T C 1.771 176.380 174.700 -0.151 0.000 1.073 191 T CA 0.709 62.608 62.100 -0.335 0.000 1.134 191 T CB -0.093 68.437 68.868 -0.562 0.000 0.884 191 T HN 0.232 nan 8.240 nan 0.000 0.479 192 Q N 1.250 121.003 119.800 -0.080 0.000 2.123 192 Q HA 0.198 4.549 4.340 0.018 0.000 0.196 192 Q C 2.506 178.514 176.000 0.013 0.000 0.958 192 Q CA 1.563 57.351 55.803 -0.024 0.000 0.841 192 Q CB -0.526 28.215 28.738 0.005 0.000 0.915 192 Q HN 0.636 nan 8.270 nan 0.000 0.455 193 A N 0.220 123.075 122.820 0.058 0.000 2.014 193 A HA 0.046 4.377 4.320 0.018 0.000 0.218 193 A C 1.033 178.656 177.584 0.064 0.000 1.163 193 A CA 0.575 52.667 52.037 0.093 0.000 0.652 193 A CB 0.040 19.164 19.000 0.206 0.000 0.808 193 A HN 0.317 nan 8.150 nan 0.000 0.449 194 L N 1.349 122.592 121.223 0.032 0.000 2.488 194 L HA 0.274 4.624 4.340 0.018 0.000 0.250 194 L C -2.629 174.237 176.870 -0.005 0.000 1.280 194 L CA -1.932 52.923 54.840 0.025 0.000 0.929 194 L CB 1.537 43.621 42.059 0.043 0.000 1.200 194 L HN 0.042 nan 8.230 nan 0.000 0.495 195 P HA -0.003 nan 4.420 nan 0.000 0.264 195 P C -0.389 176.908 177.300 -0.005 0.000 1.183 195 P CA 0.302 63.392 63.100 -0.017 0.000 0.763 195 P CB 1.054 32.749 31.700 -0.009 0.000 0.807 196 S N 2.439 118.136 115.700 -0.005 0.000 2.489 196 S HA 0.381 4.861 4.470 0.018 0.000 0.291 196 S C -0.139 174.465 174.600 0.007 0.000 1.151 196 S CA -0.609 57.600 58.200 0.014 0.000 1.082 196 S CB 1.228 64.454 63.200 0.044 0.000 1.019 196 S HN 0.418 nan 8.310 nan 0.000 0.492 197 E N 0.995 121.195 120.200 0.000 0.000 2.317 197 E HA 0.400 4.761 4.350 0.018 0.000 0.270 197 E C -1.407 175.178 176.600 -0.026 0.000 0.885 197 E CA -0.937 55.456 56.400 -0.012 0.000 0.760 197 E CB 1.944 31.637 29.700 -0.011 0.000 1.227 197 E HN 0.330 nan 8.360 nan 0.000 0.434 198 L N 2.294 123.494 121.223 -0.039 0.000 2.290 198 L HA 0.355 4.705 4.340 0.018 0.000 0.284 198 L C -1.076 175.765 176.870 -0.048 0.000 1.078 198 L CA -0.142 54.664 54.840 -0.057 0.000 0.815 198 L CB 0.307 42.322 42.059 -0.075 0.000 1.162 198 L HN 0.288 nan 8.230 nan 0.000 0.435 199 K N 3.766 124.136 120.400 -0.050 0.000 2.394 199 K HA 0.640 4.971 4.320 0.018 0.000 0.260 199 K C -1.373 175.196 176.600 -0.051 0.000 0.967 199 K CA -0.296 55.965 56.287 -0.043 0.000 0.855 199 K CB 1.795 34.273 32.500 -0.037 0.000 1.101 199 K HN 0.429 nan 8.250 nan 0.000 0.433 200 V N 2.704 122.589 119.914 -0.047 0.000 2.495 200 V HA 0.647 4.777 4.120 0.018 0.000 0.298 200 V C -0.415 175.655 176.094 -0.041 0.000 1.031 200 V CA -0.592 61.679 62.300 -0.050 0.000 0.871 200 V CB 1.616 33.409 31.823 -0.051 0.000 0.988 200 V HN 0.942 nan 8.190 nan 0.000 0.432 201 S N 3.093 118.768 115.700 -0.041 0.000 2.720 201 S HA 0.784 5.264 4.470 0.018 0.000 0.287 201 S C 0.849 175.428 174.600 -0.034 0.000 1.168 201 S CA -0.036 58.144 58.200 -0.034 0.000 0.832 201 S CB 1.780 64.961 63.200 -0.031 0.000 1.166 201 S HN 0.999 nan 8.310 nan 0.000 0.493 202 A N 0.866 123.669 122.820 -0.029 0.000 1.933 202 A HA -0.052 4.278 4.320 0.018 0.000 0.218 202 A C 1.563 179.130 177.584 -0.029 0.000 1.175 202 A CA 1.948 53.969 52.037 -0.028 0.000 0.628 202 A CB -0.989 17.997 19.000 -0.023 0.000 0.814 202 A HN 0.929 nan 8.150 nan 0.000 0.444 203 D N -2.369 118.014 120.400 -0.029 0.000 2.369 203 D HA 0.176 4.827 4.640 0.018 0.000 0.211 203 D C 0.169 176.448 176.300 -0.035 0.000 1.077 203 D CA 0.137 54.120 54.000 -0.028 0.000 0.842 203 D CB -0.231 40.555 40.800 -0.023 0.000 0.947 203 D HN 0.356 nan 8.370 nan 0.000 0.509 204 N N -1.071 117.604 118.700 -0.042 0.000 3.127 204 N HA 0.390 5.140 4.740 0.018 0.000 0.239 204 N C -2.382 173.091 175.510 -0.061 0.000 1.407 204 N CA -0.822 52.197 53.050 -0.053 0.000 0.891 204 N CB 2.156 40.614 38.487 -0.049 0.000 1.447 204 N HN -0.126 nan 8.380 nan 0.000 0.507 205 V N 1.218 121.086 119.914 -0.077 0.000 2.760 205 V HA 0.931 5.062 4.120 0.018 0.000 0.309 205 V C -1.191 174.845 176.094 -0.097 0.000 1.077 205 V CA 0.115 62.363 62.300 -0.086 0.000 0.910 205 V CB 1.504 33.267 31.823 -0.100 0.000 1.008 205 V HN 1.009 nan 8.190 nan 0.000 0.424 206 S N 6.571 122.220 115.700 -0.085 0.000 2.656 206 S HA 0.863 5.344 4.470 0.018 0.000 0.273 206 S C -1.885 172.674 174.600 -0.069 0.000 1.168 206 S CA -0.845 57.306 58.200 -0.081 0.000 0.817 206 S CB 1.897 65.060 63.200 -0.061 0.000 1.146 206 S HN 0.717 nan 8.310 nan 0.000 0.475 207 L N 1.650 122.841 121.223 -0.053 0.000 2.341 207 L HA 0.838 5.189 4.340 0.018 0.000 0.267 207 L C 0.475 177.342 176.870 -0.005 0.000 1.009 207 L CA 0.004 54.825 54.840 -0.031 0.000 0.819 207 L CB 2.028 44.074 42.059 -0.023 0.000 1.323 207 L HN 1.243 nan 8.230 nan 0.000 0.425 208 T N -1.575 112.983 114.554 0.007 0.000 2.905 208 T HA 0.856 5.216 4.350 0.018 0.000 0.283 208 T C 0.399 175.120 174.700 0.036 0.000 1.031 208 T CA -0.101 62.009 62.100 0.017 0.000 1.002 208 T CB 1.513 70.386 68.868 0.008 0.000 1.200 208 T HN 1.219 nan 8.240 nan 0.000 0.560 209 G N 0.576 109.398 108.800 0.037 0.000 2.564 209 G HA2 0.026 3.997 3.960 0.018 0.000 0.273 209 G HA3 0.026 3.997 3.960 0.018 0.000 0.273 209 G C 1.191 176.136 174.900 0.074 0.000 1.242 209 G CA 0.920 46.047 45.100 0.045 0.000 0.951 209 G HN 1.763 nan 8.290 nan 0.000 0.564 210 A N -1.329 121.528 122.820 0.063 0.000 1.903 210 A HA -0.001 4.330 4.320 0.018 0.000 0.219 210 A C 2.842 180.597 177.584 0.285 0.000 1.191 210 A CA 4.051 56.160 52.037 0.120 0.000 0.638 210 A CB -0.928 18.039 19.000 -0.056 0.000 0.823 210 A HN 1.632 nan 8.150 nan 0.000 0.451 211 V N -0.453 119.625 119.914 0.274 0.000 2.252 211 V HA -0.266 3.864 4.120 0.018 0.000 0.249 211 V C 2.828 179.067 176.094 0.242 0.000 1.056 211 V CA 2.540 65.056 62.300 0.360 0.000 1.022 211 V CB -1.013 30.984 31.823 0.290 0.000 0.641 211 V HN 0.703 nan 8.190 nan 0.000 0.445 212 S N -0.910 114.884 115.700 0.157 0.000 2.368 212 S HA -0.136 4.345 4.470 0.018 0.000 0.224 212 S C 2.002 176.672 174.600 0.116 0.000 1.029 212 S CA 1.603 59.870 58.200 0.112 0.000 0.988 212 S CB -0.307 62.932 63.200 0.065 0.000 0.838 212 S HN 0.472 nan 8.310 nan 0.000 0.462 213 L N 0.970 122.264 121.223 0.119 0.000 1.994 213 L HA -0.100 4.250 4.340 0.018 0.000 0.208 213 L C 2.818 179.760 176.870 0.119 0.000 1.071 213 L CA 1.677 56.579 54.840 0.103 0.000 0.745 213 L CB -0.951 41.175 42.059 0.113 0.000 0.892 213 L HN 0.481 nan 8.230 nan 0.000 0.431 214 A N -1.136 121.785 122.820 0.169 0.000 1.908 214 A HA -0.281 4.050 4.320 0.018 0.000 0.218 214 A C 2.482 180.140 177.584 0.124 0.000 1.181 214 A CA 2.183 54.301 52.037 0.134 0.000 0.627 214 A CB -0.903 18.148 19.000 0.086 0.000 0.818 214 A HN 0.520 nan 8.150 nan 0.000 0.445 215 S N -1.128 114.674 115.700 0.169 0.000 2.370 215 S HA -0.211 4.269 4.470 0.018 0.000 0.226 215 S C 2.110 176.876 174.600 0.277 0.000 1.033 215 S CA 1.888 60.243 58.200 0.259 0.000 1.011 215 S CB -0.393 62.958 63.200 0.252 0.000 0.852 215 S HN 0.608 nan 8.310 nan 0.000 0.457 216 M N -0.052 119.641 119.600 0.155 0.000 2.156 216 M HA -0.018 4.473 4.480 0.018 0.000 0.264 216 M C 1.707 177.974 176.300 -0.055 0.000 1.067 216 M CA 1.280 56.620 55.300 0.066 0.000 1.131 216 M CB -0.192 32.415 32.600 0.012 0.000 1.368 216 M HN 0.346 nan 8.290 nan 0.000 0.416 217 L N 0.668 121.850 121.223 -0.068 0.000 2.046 217 L HA -0.156 4.195 4.340 0.018 0.000 0.208 217 L C 2.795 179.445 176.870 -0.367 0.000 1.077 217 L CA 2.327 57.041 54.840 -0.210 0.000 0.747 217 L CB -1.400 40.648 42.059 -0.018 0.000 0.896 217 L HN 0.519 nan 8.230 nan 0.000 0.432 218 T N -3.756 110.758 114.554 -0.065 0.000 2.867 218 T HA -0.201 4.160 4.350 0.018 0.000 0.268 218 T C 1.720 176.440 174.700 0.034 0.000 1.057 218 T CA 1.160 63.321 62.100 0.101 0.000 1.136 218 T CB -0.309 68.672 68.868 0.188 0.000 0.874 218 T HN 0.443 nan 8.240 nan 0.000 0.466 219 E N 1.051 121.183 120.200 -0.114 0.000 2.072 219 E HA -0.062 4.299 4.350 0.018 0.000 0.191 219 E C 2.148 178.703 176.600 -0.076 0.000 0.985 219 E CA 0.819 57.094 56.400 -0.207 0.000 0.801 219 E CB -0.347 29.150 29.700 -0.337 0.000 0.750 219 E HN 0.598 nan 8.360 nan 0.000 0.452 220 I N 0.499 120.987 120.570 -0.135 0.000 2.208 220 I HA -0.270 3.910 4.170 0.018 0.000 0.245 220 I C 1.893 178.083 176.117 0.121 0.000 1.097 220 I CA 0.947 62.203 61.300 -0.073 0.000 1.363 220 I CB -0.329 37.551 38.000 -0.200 0.000 1.051 220 I HN 0.160 nan 8.210 nan 0.000 0.413 221 F N 0.464 120.563 119.950 0.249 0.000 2.134 221 F HA -0.213 4.324 4.527 0.017 0.000 0.299 221 F C 2.363 178.410 175.800 0.411 0.000 1.097 221 F CA 1.201 59.378 58.000 0.295 0.000 1.264 221 F CB -1.152 37.988 39.000 0.234 0.000 1.001 221 F HN -0.010 nan 8.300 nan 0.000 0.479 222 L N -0.616 120.902 121.223 0.492 0.000 2.042 222 L HA -0.226 4.125 4.340 0.018 0.000 0.210 222 L C 2.208 179.152 176.870 0.123 0.000 1.076 222 L CA 1.136 56.085 54.840 0.181 0.000 0.749 222 L CB -0.407 41.675 42.059 0.039 0.000 0.893 222 L HN 0.017 nan 8.230 nan 0.000 0.432 223 L N -0.278 121.059 121.223 0.189 0.000 2.046 223 L HA -0.247 4.104 4.340 0.018 0.000 0.208 223 L C 2.624 179.745 176.870 0.418 0.000 1.077 223 L CA 1.757 56.764 54.840 0.279 0.000 0.747 223 L CB -1.188 41.020 42.059 0.249 0.000 0.896 223 L HN 0.403 nan 8.230 nan 0.000 0.432 224 Q N -1.347 118.708 119.800 0.425 0.000 2.096 224 Q HA -0.291 4.060 4.340 0.018 0.000 0.204 224 Q C 2.203 178.267 176.000 0.106 0.000 0.982 224 Q CA 1.704 57.636 55.803 0.214 0.000 0.850 224 Q CB -0.193 28.681 28.738 0.228 0.000 0.901 224 Q HN 0.452 nan 8.270 nan 0.000 0.422 225 Q N 0.752 120.651 119.800 0.166 0.000 2.050 225 Q HA -0.147 4.203 4.340 0.018 0.000 0.202 225 Q C 1.888 177.883 176.000 -0.008 0.000 0.980 225 Q CA 1.955 57.799 55.803 0.068 0.000 0.840 225 Q CB -0.404 28.272 28.738 -0.103 0.000 0.898 225 Q HN 0.354 nan 8.270 nan 0.000 0.424 226 A N -0.192 122.627 122.820 -0.002 0.000 2.015 226 A HA -0.149 4.182 4.320 0.018 0.000 0.219 226 A C 1.981 179.584 177.584 0.031 0.000 1.163 226 A CA 1.512 53.551 52.037 0.004 0.000 0.646 226 A CB -0.573 18.438 19.000 0.019 0.000 0.806 226 A HN 0.473 nan 8.150 nan 0.000 0.448 227 Q N -0.605 119.227 119.800 0.054 0.000 2.472 227 Q HA 0.198 4.548 4.340 0.018 0.000 0.208 227 Q C 1.075 177.035 176.000 -0.067 0.000 0.958 227 Q CA 1.062 56.869 55.803 0.006 0.000 0.932 227 Q CB -0.545 28.133 28.738 -0.102 0.000 1.007 227 Q HN 1.014 nan 8.270 nan 0.000 0.508 228 G N 0.055 108.825 108.800 -0.050 0.000 2.136 228 G HA2 -0.303 3.668 3.960 0.018 0.000 0.242 228 G HA3 -0.303 3.668 3.960 0.018 0.000 0.242 228 G C -0.034 174.819 174.900 -0.078 0.000 0.989 228 G CA 0.373 45.443 45.100 -0.050 0.000 0.682 228 G HN 0.331 nan 8.290 nan 0.000 0.522 229 M N 1.653 121.180 119.600 -0.122 0.000 2.248 229 M HA 0.293 4.784 4.480 0.018 0.000 0.337 229 M C -1.412 174.841 176.300 -0.078 0.000 1.121 229 M CA -1.236 53.975 55.300 -0.147 0.000 1.155 229 M CB 0.213 32.668 32.600 -0.243 0.000 1.514 229 M HN 0.062 nan 8.290 nan 0.000 0.452 230 P HA 0.030 nan 4.420 nan 0.000 0.276 230 P C -1.000 176.274 177.300 -0.043 0.000 1.230 230 P CA -0.102 62.973 63.100 -0.041 0.000 0.776 230 P CB 0.236 31.915 31.700 -0.036 0.000 0.888 231 E N 0.835 121.022 120.200 -0.022 0.000 2.359 231 E HA -0.194 4.166 4.350 0.018 0.000 0.157 231 E C -2.205 174.343 176.600 -0.088 0.000 1.718 231 E CA -0.364 56.015 56.400 -0.034 0.000 0.620 231 E CB -2.011 27.673 29.700 -0.027 0.000 1.057 231 E HN 0.318 nan 8.360 nan 0.000 0.322 232 P HA 0.153 nan 4.420 nan 0.000 0.269 232 P C 0.920 178.048 177.300 -0.286 0.000 1.209 232 P CA 1.119 64.181 63.100 -0.063 0.000 0.776 232 P CB 0.944 32.761 31.700 0.195 0.000 0.876 233 G N 2.389 110.875 108.800 -0.523 0.000 2.273 233 G HA2 -0.227 3.744 3.960 0.018 0.000 0.280 233 G HA3 -0.227 3.744 3.960 0.018 0.000 0.280 233 G C 0.187 174.830 174.900 -0.428 0.000 1.047 233 G CA 0.005 44.569 45.100 -0.893 0.000 0.869 233 G HN 0.599 nan 8.290 nan 0.000 0.502 234 W N -2.115 119.100 121.300 -0.142 0.000 4.551 234 W HA -0.239 4.431 4.660 0.018 0.000 0.343 234 W C 1.523 177.968 176.519 -0.123 0.000 1.269 234 W CA 1.454 58.723 57.345 -0.126 0.000 0.799 234 W CB -2.053 27.316 29.460 -0.152 0.000 2.352 234 W HN 2.183 nan 8.180 nan 0.000 1.462 235 G N -0.616 108.157 108.800 -0.044 0.000 2.148 235 G HA2 -0.383 3.587 3.960 0.018 0.000 0.254 235 G HA3 -0.383 3.587 3.960 0.018 0.000 0.254 235 G C 0.878 175.733 174.900 -0.076 0.000 0.981 235 G CA 0.728 45.800 45.100 -0.047 0.000 0.670 235 G HN 0.363 nan 8.290 nan 0.000 0.528 236 R N -0.485 119.945 120.500 -0.116 0.000 2.334 236 R HA 0.458 4.809 4.340 0.018 0.000 0.216 236 R C 0.701 176.835 176.300 -0.276 0.000 0.905 236 R CA 0.212 56.223 56.100 -0.149 0.000 1.064 236 R CB 0.198 30.442 30.300 -0.094 0.000 1.046 236 R HN 0.498 nan 8.270 nan 0.000 0.508 237 I N 0.715 121.058 120.570 -0.378 0.000 2.437 237 I HA 0.174 4.355 4.170 0.018 0.000 0.279 237 I C 0.376 176.258 176.117 -0.391 0.000 1.028 237 I CA -0.288 60.662 61.300 -0.584 0.000 1.142 237 I CB 1.938 39.291 38.000 -1.078 0.000 1.266 237 I HN 0.036 nan 8.210 nan 0.000 0.461 238 T N -0.642 113.759 114.554 -0.254 0.000 3.043 238 T HA 0.281 4.642 4.350 0.018 0.000 0.272 238 T C -0.151 174.552 174.700 0.005 0.000 0.990 238 T CA -0.282 61.769 62.100 -0.083 0.000 0.897 238 T CB -0.233 68.600 68.868 -0.057 0.000 1.111 238 T HN 0.615 nan 8.240 nan 0.000 0.529 239 D N -0.761 119.631 120.400 -0.013 0.000 2.596 239 D HA 0.462 5.112 4.640 0.018 0.000 0.262 239 D C 0.570 177.003 176.300 0.222 0.000 1.210 239 D CA -0.811 53.256 54.000 0.112 0.000 0.873 239 D CB 0.951 41.797 40.800 0.077 0.000 1.408 239 D HN -0.199 nan 8.370 nan 0.000 0.441 240 S N -1.250 114.610 115.700 0.266 0.000 2.399 240 S HA -0.221 4.260 4.470 0.018 0.000 0.231 240 S C 1.432 176.200 174.600 0.281 0.000 1.022 240 S CA 1.291 59.674 58.200 0.305 0.000 0.983 240 S CB -0.794 62.522 63.200 0.194 0.000 0.803 240 S HN 0.638 nan 8.310 nan 0.000 0.480 241 H N 1.162 120.288 119.070 0.093 0.000 2.321 241 H HA -0.101 4.466 4.556 0.018 0.000 0.300 241 H C 2.219 177.569 175.328 0.037 0.000 1.087 241 H CA 1.488 57.568 56.048 0.054 0.000 1.319 241 H CB 0.021 29.798 29.762 0.024 0.000 1.379 241 H HN 0.453 nan 8.280 nan 0.000 0.501 242 Q N -0.223 119.541 119.800 -0.061 0.000 2.050 242 Q HA -0.203 4.147 4.340 0.018 0.000 0.202 242 Q C 2.175 178.109 176.000 -0.109 0.000 0.980 242 Q CA 1.669 57.340 55.803 -0.220 0.000 0.840 242 Q CB -0.258 28.282 28.738 -0.330 0.000 0.898 242 Q HN 0.604 nan 8.270 nan 0.000 0.424 243 W N 1.508 122.806 121.300 -0.004 0.000 2.335 243 W HA -0.192 4.478 4.660 0.016 0.000 0.311 243 W C 1.946 178.484 176.519 0.031 0.000 1.213 243 W CA 1.234 58.590 57.345 0.018 0.000 1.274 243 W CB -0.302 29.176 29.460 0.029 0.000 1.148 243 W HN 0.228 nan 8.180 nan 0.000 0.498 244 N N -0.982 117.893 118.700 0.292 0.000 2.120 244 N HA -0.163 4.587 4.740 0.018 0.000 0.188 244 N C 1.516 177.104 175.510 0.129 0.000 1.024 244 N CA 1.991 55.154 53.050 0.188 0.000 0.852 244 N CB -0.495 38.094 38.487 0.170 0.000 1.003 244 N HN -0.004 nan 8.380 nan 0.000 0.424 245 T N 1.428 116.042 114.554 0.100 0.000 2.708 245 T HA -0.083 4.278 4.350 0.018 0.000 0.266 245 T C 1.976 176.680 174.700 0.006 0.000 1.037 245 T CA 0.815 62.932 62.100 0.029 0.000 1.146 245 T CB -0.296 68.538 68.868 -0.056 0.000 0.865 245 T HN 0.132 nan 8.240 nan 0.000 0.435 246 L N 0.513 121.751 121.223 0.025 0.000 1.994 246 L HA -0.050 4.301 4.340 0.018 0.000 0.208 246 L C 2.388 179.320 176.870 0.104 0.000 1.071 246 L CA 0.892 55.764 54.840 0.054 0.000 0.745 246 L CB -0.523 41.590 42.059 0.090 0.000 0.892 246 L HN 0.225 nan 8.230 nan 0.000 0.431 247 L N 0.153 121.475 121.223 0.164 0.000 2.456 247 L HA -0.119 4.231 4.340 0.018 0.000 0.224 247 L C 2.817 179.763 176.870 0.128 0.000 1.148 247 L CA 1.649 56.588 54.840 0.165 0.000 0.825 247 L CB -1.307 40.851 42.059 0.165 0.000 0.937 247 L HN 0.453 nan 8.230 nan 0.000 0.450 248 S N -0.690 115.051 115.700 0.068 0.000 2.399 248 S HA -0.167 4.314 4.470 0.018 0.000 0.231 248 S C 1.933 176.543 174.600 0.017 0.000 1.022 248 S CA 0.613 58.828 58.200 0.025 0.000 0.983 248 S CB -0.274 62.918 63.200 -0.014 0.000 0.803 248 S HN 0.242 nan 8.310 nan 0.000 0.480 249 L N 1.696 122.912 121.223 -0.011 0.000 2.056 249 L HA 0.035 4.385 4.340 0.018 0.000 0.207 249 L C 2.583 179.528 176.870 0.125 0.000 1.078 249 L CA 1.991 56.812 54.840 -0.033 0.000 0.749 249 L CB -1.908 40.044 42.059 -0.178 0.000 0.901 249 L HN 0.532 nan 8.230 nan 0.000 0.433 250 H N 0.041 119.151 119.070 0.067 0.000 2.321 250 H HA -0.102 4.465 4.556 0.018 0.000 0.300 250 H C 2.029 177.451 175.328 0.156 0.000 1.087 250 H CA 1.933 58.048 56.048 0.113 0.000 1.319 250 H CB 0.168 29.956 29.762 0.043 0.000 1.379 250 H HN 0.256 nan 8.280 nan 0.000 0.501 251 N N 0.385 119.139 118.700 0.090 0.000 2.223 251 N HA -0.111 4.640 4.740 0.018 0.000 0.185 251 N C 1.977 177.586 175.510 0.165 0.000 1.016 251 N CA 1.122 54.203 53.050 0.052 0.000 0.863 251 N CB -0.553 37.958 38.487 0.040 0.000 0.983 251 N HN 0.529 nan 8.380 nan 0.000 0.429 252 A N 1.269 124.206 122.820 0.195 0.000 1.877 252 A HA -0.227 4.104 4.320 0.018 0.000 0.216 252 A C 2.224 180.085 177.584 0.462 0.000 1.186 252 A CA 1.716 53.979 52.037 0.377 0.000 0.620 252 A CB -0.772 18.433 19.000 0.341 0.000 0.822 252 A HN 0.420 nan 8.150 nan 0.000 0.443 253 Q N -1.618 118.371 119.800 0.316 0.000 2.061 253 Q HA -0.194 4.156 4.340 0.018 0.000 0.204 253 Q C 1.701 177.757 176.000 0.094 0.000 0.984 253 Q CA 1.964 57.879 55.803 0.186 0.000 0.846 253 Q CB -0.300 28.528 28.738 0.151 0.000 0.902 253 Q HN 0.555 nan 8.270 nan 0.000 0.421 254 F N -0.360 119.551 119.950 -0.065 0.000 2.234 254 F HA -0.138 4.398 4.527 0.015 0.000 0.299 254 F C 2.088 177.878 175.800 -0.018 0.000 1.087 254 F CA 1.101 59.054 58.000 -0.078 0.000 1.340 254 F CB -0.652 38.270 39.000 -0.130 0.000 1.031 254 F HN 0.277 nan 8.300 nan 0.000 0.500 255 Y N 0.348 120.703 120.300 0.092 0.000 2.145 255 Y HA -0.216 4.342 4.550 0.013 0.000 0.286 255 Y C 1.951 177.837 175.900 -0.023 0.000 1.145 255 Y CA 1.641 59.760 58.100 0.032 0.000 1.148 255 Y CB -0.644 37.865 38.460 0.082 0.000 0.981 255 Y HN 0.024 nan 8.280 nan 0.000 0.507 256 L N -0.547 120.526 121.223 -0.251 0.000 2.044 256 L HA -0.160 4.191 4.340 0.018 0.000 0.205 256 L C 2.326 179.010 176.870 -0.310 0.000 1.075 256 L CA 1.193 55.786 54.840 -0.413 0.000 0.747 256 L CB -0.435 41.401 42.059 -0.372 0.000 0.903 256 L HN 0.283 nan 8.230 nan 0.000 0.435 257 L N -1.427 119.645 121.223 -0.250 0.000 2.307 257 L HA -0.024 4.327 4.340 0.018 0.000 0.211 257 L C 2.205 178.929 176.870 -0.243 0.000 1.099 257 L CA 0.417 55.107 54.840 -0.250 0.000 0.816 257 L CB -0.197 41.695 42.059 -0.279 0.000 0.952 257 L HN 0.313 nan 8.230 nan 0.000 0.455 258 Q N -0.627 119.030 119.800 -0.238 0.000 2.391 258 Q HA 0.140 4.490 4.340 0.018 0.000 0.243 258 Q C 1.972 177.923 176.000 -0.082 0.000 0.874 258 Q CA 0.306 56.010 55.803 -0.165 0.000 0.950 258 Q CB 0.709 29.330 28.738 -0.194 0.000 1.103 258 Q HN 0.414 nan 8.270 nan 0.000 0.544 259 R N 0.464 120.906 120.500 -0.096 0.000 2.223 259 R HA 0.148 4.499 4.340 0.018 0.000 0.198 259 R C 0.259 176.486 176.300 -0.121 0.000 0.984 259 R CA 0.247 56.298 56.100 -0.082 0.000 1.018 259 R CB 0.219 30.483 30.300 -0.060 0.000 0.945 259 R HN 0.001 nan 8.270 nan 0.000 0.479 260 T N 3.454 117.894 114.554 -0.190 0.000 2.778 260 T HA -0.003 4.358 4.350 0.018 0.000 0.282 260 T C -1.857 172.778 174.700 -0.107 0.000 0.983 260 T CA -0.817 61.174 62.100 -0.181 0.000 1.193 260 T CB 1.025 69.767 68.868 -0.210 0.000 0.938 260 T HN 0.009 nan 8.240 nan 0.000 0.523 261 P HA -0.149 nan 4.420 nan 0.000 0.216 261 P C 1.338 178.608 177.300 -0.050 0.000 1.157 261 P CA 1.008 64.079 63.100 -0.049 0.000 0.880 261 P CB 0.165 31.844 31.700 -0.036 0.000 0.791 262 E N -1.277 118.887 120.200 -0.059 0.000 2.331 262 E HA -0.109 4.252 4.350 0.018 0.000 0.199 262 E C 1.741 178.307 176.600 -0.058 0.000 1.008 262 E CA 0.817 57.184 56.400 -0.055 0.000 0.843 262 E CB -0.734 28.930 29.700 -0.059 0.000 0.761 262 E HN 0.160 nan 8.360 nan 0.000 0.507 263 V N -0.734 119.139 119.914 -0.068 0.000 2.806 263 V HA 0.128 4.259 4.120 0.018 0.000 0.239 263 V C 1.964 178.026 176.094 -0.052 0.000 1.113 263 V CA 0.941 63.200 62.300 -0.068 0.000 1.137 263 V CB -0.315 31.452 31.823 -0.093 0.000 0.865 263 V HN 0.276 nan 8.190 nan 0.000 0.482 264 A N 0.478 123.268 122.820 -0.049 0.000 1.940 264 A HA -0.216 4.115 4.320 0.018 0.000 0.219 264 A C 2.298 179.875 177.584 -0.013 0.000 1.176 264 A CA 1.751 53.773 52.037 -0.024 0.000 0.631 264 A CB -0.479 18.512 19.000 -0.015 0.000 0.814 264 A HN 0.457 nan 8.150 nan 0.000 0.446 265 R N -0.300 120.188 120.500 -0.020 0.000 2.081 265 R HA -0.087 4.264 4.340 0.018 0.000 0.235 265 R C 2.472 178.758 176.300 -0.023 0.000 1.131 265 R CA 1.676 57.765 56.100 -0.019 0.000 0.960 265 R CB -0.512 29.773 30.300 -0.024 0.000 0.856 265 R HN 0.530 nan 8.270 nan 0.000 0.436 266 S N 0.478 116.161 115.700 -0.027 0.000 2.371 266 S HA -0.073 4.407 4.470 0.018 0.000 0.224 266 S C 1.875 176.462 174.600 -0.022 0.000 1.029 266 S CA 0.795 58.979 58.200 -0.027 0.000 0.978 266 S CB -0.129 63.053 63.200 -0.030 0.000 0.833 266 S HN 0.285 nan 8.310 nan 0.000 0.466 267 R N 0.849 121.338 120.500 -0.018 0.000 2.148 267 R HA 0.048 4.398 4.340 0.018 0.000 0.227 267 R C 1.764 178.065 176.300 0.002 0.000 1.103 267 R CA 1.065 57.161 56.100 -0.008 0.000 0.983 267 R CB -0.159 30.136 30.300 -0.009 0.000 0.874 267 R HN 0.379 nan 8.270 nan 0.000 0.451 268 A N -1.134 121.686 122.820 -0.000 0.000 2.308 268 A HA 0.094 4.425 4.320 0.018 0.000 0.217 268 A C 1.656 179.224 177.584 -0.026 0.000 1.216 268 A CA 0.217 52.255 52.037 0.002 0.000 0.864 268 A CB 0.102 19.119 19.000 0.027 0.000 0.902 268 A HN 0.217 nan 8.150 nan 0.000 0.499 269 T N 1.712 116.246 114.554 -0.033 0.000 2.665 269 T HA -0.105 4.255 4.350 0.018 0.000 0.268 269 T C -0.308 174.353 174.700 -0.063 0.000 1.035 269 T CA 2.212 64.283 62.100 -0.048 0.000 1.151 269 T CB -0.915 67.927 68.868 -0.044 0.000 0.862 269 T HN 0.366 nan 8.240 nan 0.000 0.438 270 P HA 0.032 nan 4.420 nan 0.000 0.217 270 P C 1.510 178.742 177.300 -0.114 0.000 1.150 270 P CA 0.840 63.889 63.100 -0.085 0.000 0.832 270 P CB -0.145 31.503 31.700 -0.087 0.000 0.787 271 L N -1.625 119.522 121.223 -0.127 0.000 2.093 271 L HA -0.135 4.216 4.340 0.018 0.000 0.208 271 L C 2.395 179.193 176.870 -0.121 0.000 1.085 271 L CA 1.137 55.890 54.840 -0.144 0.000 0.755 271 L CB -0.865 41.124 42.059 -0.117 0.000 0.904 271 L HN -0.044 nan 8.230 nan 0.000 0.435 272 L N -0.474 120.691 121.223 -0.096 0.000 2.079 272 L HA -0.244 4.106 4.340 0.018 0.000 0.210 272 L C 2.167 178.966 176.870 -0.119 0.000 1.081 272 L CA 1.076 55.851 54.840 -0.108 0.000 0.752 272 L CB -0.542 41.464 42.059 -0.089 0.000 0.896 272 L HN 0.310 nan 8.230 nan 0.000 0.433 273 D N -0.222 120.117 120.400 -0.103 0.000 2.123 273 D HA -0.153 4.498 4.640 0.018 0.000 0.200 273 D C 2.253 178.497 176.300 -0.093 0.000 0.976 273 D CA 0.873 54.817 54.000 -0.094 0.000 0.831 273 D CB -0.068 40.684 40.800 -0.081 0.000 0.974 273 D HN 0.229 nan 8.370 nan 0.000 0.469 274 L N 0.711 121.875 121.223 -0.098 0.000 2.017 274 L HA -0.147 4.203 4.340 0.018 0.000 0.208 274 L C 2.327 179.135 176.870 -0.103 0.000 1.073 274 L CA 1.008 55.794 54.840 -0.091 0.000 0.745 274 L CB -0.170 41.828 42.059 -0.102 0.000 0.894 274 L HN -0.004 nan 8.230 nan 0.000 0.432 275 I N -0.143 120.342 120.570 -0.142 0.000 2.226 275 I HA -0.354 3.827 4.170 0.018 0.000 0.245 275 I C 2.618 178.674 176.117 -0.102 0.000 1.100 275 I CA 1.376 62.562 61.300 -0.190 0.000 1.374 275 I CB -0.344 37.432 38.000 -0.373 0.000 1.057 275 I HN 0.272 nan 8.210 nan 0.000 0.413 276 K N 0.703 121.062 120.400 -0.069 0.000 2.026 276 K HA -0.171 4.160 4.320 0.018 0.000 0.208 276 K C 2.065 178.654 176.600 -0.018 0.000 1.048 276 K CA 1.949 58.232 56.287 -0.007 0.000 0.929 276 K CB -0.089 32.370 32.500 -0.069 0.000 0.713 276 K HN 0.208 nan 8.250 nan 0.000 0.439 277 T N 0.626 115.147 114.554 -0.054 0.000 2.788 277 T HA -0.105 4.256 4.350 0.018 0.000 0.268 277 T C 1.806 176.478 174.700 -0.047 0.000 1.044 277 T CA 1.271 63.333 62.100 -0.063 0.000 1.139 277 T CB -0.215 68.605 68.868 -0.079 0.000 0.867 277 T HN 0.410 nan 8.240 nan 0.000 0.454 278 A N 0.812 123.606 122.820 -0.043 0.000 1.968 278 A HA 0.174 4.505 4.320 0.018 0.000 0.217 278 A C 2.099 179.674 177.584 -0.015 0.000 1.169 278 A CA 0.885 52.904 52.037 -0.031 0.000 0.638 278 A CB -0.497 18.479 19.000 -0.039 0.000 0.812 278 A HN 0.489 nan 8.150 nan 0.000 0.446 279 L N -0.424 120.795 121.223 -0.008 0.000 2.529 279 L HA 0.062 4.413 4.340 0.018 0.000 0.223 279 L C 0.188 177.074 176.870 0.027 0.000 1.113 279 L CA 0.058 54.901 54.840 0.006 0.000 0.861 279 L CB -0.045 42.016 42.059 0.004 0.000 1.012 279 L HN 0.096 nan 8.230 nan 0.000 0.461 280 T N 3.211 117.783 114.554 0.030 0.000 2.761 280 T HA 0.200 4.561 4.350 0.018 0.000 0.296 280 T C -2.246 172.487 174.700 0.054 0.000 0.934 280 T CA -1.055 61.069 62.100 0.040 0.000 1.091 280 T CB 0.851 69.735 68.868 0.026 0.000 0.896 280 T HN -0.023 nan 8.240 nan 0.000 0.515 281 P HA 0.136 nan 4.420 nan 0.000 0.271 281 P C -0.598 176.780 177.300 0.131 0.000 1.216 281 P CA 0.081 63.220 63.100 0.064 0.000 0.771 281 P CB 0.578 32.298 31.700 0.034 0.000 0.864 282 H N 2.719 121.784 119.070 -0.008 0.000 3.057 282 H HA 0.194 4.761 4.556 0.018 0.000 0.308 282 H C -2.913 172.411 175.328 -0.008 0.000 1.276 282 H CA -1.118 54.925 56.048 -0.008 0.000 1.325 282 H CB 1.680 31.436 29.762 -0.010 0.000 1.963 282 H HN 0.221 nan 8.280 nan 0.000 0.524 283 P HA 0.086 nan 4.420 nan 0.000 0.264 283 P C -2.620 174.788 177.300 0.180 0.000 1.183 283 P CA -0.766 62.318 63.100 -0.026 0.000 0.763 283 P CB -0.141 31.472 31.700 -0.145 0.000 0.807 284 P HA 0.032 nan 4.420 nan 0.000 0.269 284 P C -0.656 176.690 177.300 0.076 0.000 1.215 284 P CA 0.415 63.566 63.100 0.084 0.000 0.780 284 P CB 0.645 32.370 31.700 0.042 0.000 0.898 285 Q N -0.723 119.107 119.800 0.050 0.000 2.617 285 Q HA 0.285 4.636 4.340 0.018 0.000 0.270 285 Q C -1.115 174.888 176.000 0.005 0.000 0.967 285 Q CA -1.272 54.550 55.803 0.032 0.000 0.887 285 Q CB 0.566 29.333 28.738 0.049 0.000 1.516 285 Q HN 0.091 nan 8.270 nan 0.000 0.395 286 K N 1.879 122.279 120.400 0.000 0.000 2.511 286 K HA -0.041 4.290 4.320 0.018 0.000 0.277 286 K C -0.389 176.197 176.600 -0.023 0.000 1.025 286 K CA 0.900 57.180 56.287 -0.012 0.000 1.112 286 K CB 0.491 32.985 32.500 -0.010 0.000 0.859 286 K HN 0.684 nan 8.250 nan 0.000 0.485 287 Q N 0.381 120.166 119.800 -0.026 0.000 3.226 287 Q HA 0.606 4.957 4.340 0.018 0.000 0.276 287 Q C -1.059 174.922 176.000 -0.031 0.000 1.029 287 Q CA -0.529 55.257 55.803 -0.029 0.000 0.854 287 Q CB 1.076 29.803 28.738 -0.018 0.000 1.567 287 Q HN 0.669 nan 8.270 nan 0.000 0.481 288 A N 0.013 122.821 122.820 -0.021 0.000 2.483 288 A HA 0.260 4.591 4.320 0.018 0.000 0.238 288 A C -0.888 176.718 177.584 0.037 0.000 1.070 288 A CA 0.644 52.616 52.037 -0.109 0.000 0.770 288 A CB -0.652 18.279 19.000 -0.115 0.000 1.008 288 A HN 0.806 nan 8.150 nan 0.000 0.497 289 Y N -0.395 119.889 120.300 -0.025 0.000 4.881 289 Y HA -0.261 4.299 4.550 0.018 0.000 0.241 289 Y C 1.624 177.473 175.900 -0.084 0.000 0.985 289 Y CA 1.453 59.546 58.100 -0.012 0.000 1.976 289 Y CB -1.762 36.699 38.460 0.001 0.000 1.528 289 Y HN 2.225 nan 8.280 nan 0.000 0.581 290 G N -0.830 107.970 108.800 0.000 0.000 2.160 290 G HA2 -0.213 3.758 3.960 0.018 0.000 0.251 290 G HA3 -0.213 3.758 3.960 0.018 0.000 0.251 290 G C -0.056 174.772 174.900 -0.120 0.000 1.008 290 G CA 0.052 45.134 45.100 -0.029 0.000 0.724 290 G HN 0.602 nan 8.290 nan 0.000 0.514 291 V N 0.721 120.543 119.914 -0.152 0.000 2.567 291 V HA 0.567 4.698 4.120 0.018 0.000 0.289 291 V C 0.913 176.965 176.094 -0.070 0.000 1.049 291 V CA 0.085 62.271 62.300 -0.189 0.000 0.969 291 V CB 1.726 33.438 31.823 -0.186 0.000 0.995 291 V HN 0.298 nan 8.190 nan 0.000 0.471 292 T N 6.337 120.863 114.554 -0.046 0.000 2.771 292 T HA 0.616 4.977 4.350 0.018 0.000 0.291 292 T C -0.565 174.130 174.700 -0.008 0.000 0.954 292 T CA -0.188 61.903 62.100 -0.015 0.000 1.045 292 T CB 0.642 69.510 68.868 -0.000 0.000 0.917 292 T HN 0.210 nan 8.240 nan 0.000 0.484 293 L N 5.538 126.758 121.223 -0.005 0.000 2.370 293 L HA 0.591 4.941 4.340 0.018 0.000 0.266 293 L C -2.371 174.507 176.870 0.013 0.000 1.002 293 L CA -2.375 52.463 54.840 -0.003 0.000 0.818 293 L CB 1.865 43.912 42.059 -0.019 0.000 1.325 293 L HN 0.371 nan 8.230 nan 0.000 0.418 294 P HA 0.467 nan 4.420 nan 0.000 0.276 294 P C -0.834 176.474 177.300 0.012 0.000 1.244 294 P CA -0.360 62.748 63.100 0.013 0.000 0.801 294 P CB 1.223 32.935 31.700 0.021 0.000 1.006 295 T N -1.086 113.472 114.554 0.007 0.000 2.669 295 T HA 0.328 4.689 4.350 0.018 0.000 0.283 295 T C 1.208 175.909 174.700 0.001 0.000 1.019 295 T CA -0.249 61.856 62.100 0.008 0.000 1.039 295 T CB 0.495 69.373 68.868 0.015 0.000 1.374 295 T HN 0.103 nan 8.240 nan 0.000 0.523 296 S N -0.444 115.256 115.700 0.001 0.000 2.345 296 S HA 0.180 4.661 4.470 0.018 0.000 0.219 296 S C 0.283 174.883 174.600 -0.001 0.000 1.031 296 S CA 0.611 58.803 58.200 -0.012 0.000 0.984 296 S CB 0.062 63.253 63.200 -0.015 0.000 0.874 296 S HN 0.517 nan 8.310 nan 0.000 0.451 297 V N 1.972 121.904 119.914 0.031 0.000 2.577 297 V HA 0.483 4.614 4.120 0.018 0.000 0.303 297 V C -0.875 175.275 176.094 0.094 0.000 1.042 297 V CA -0.512 61.828 62.300 0.068 0.000 0.872 297 V CB 1.941 33.823 31.823 0.099 0.000 0.998 297 V HN 0.305 nan 8.190 nan 0.000 0.423 298 L N 5.362 126.641 121.223 0.094 0.000 2.343 298 L HA 0.625 4.976 4.340 0.018 0.000 0.278 298 L C -1.687 175.255 176.870 0.119 0.000 0.996 298 L CA -0.490 54.403 54.840 0.089 0.000 0.831 298 L CB 1.545 43.623 42.059 0.032 0.000 1.232 298 L HN 0.715 nan 8.230 nan 0.000 0.413 299 F N 6.323 126.246 119.950 -0.045 0.000 2.426 299 F HA 0.569 5.107 4.527 0.019 0.000 0.348 299 F C -0.671 175.064 175.800 -0.107 0.000 1.124 299 F CA -0.533 57.377 58.000 -0.151 0.000 1.008 299 F CB 1.171 39.991 39.000 -0.300 0.000 1.139 299 F HN 0.260 nan 8.300 nan 0.000 0.452 300 I N 6.277 126.538 120.570 -0.514 0.000 2.355 300 I HA 0.446 4.627 4.170 0.018 0.000 0.288 300 I C -0.342 175.498 176.117 -0.462 0.000 0.999 300 I CA -0.874 60.246 61.300 -0.300 0.000 1.163 300 I CB 1.719 39.628 38.000 -0.152 0.000 1.316 300 I HN 0.732 nan 8.210 nan 0.000 0.454 301 A N 5.397 128.085 122.820 -0.220 0.000 2.316 301 A HA 0.748 5.079 4.320 0.018 0.000 0.311 301 A C 0.370 177.844 177.584 -0.183 0.000 1.339 301 A CA -0.110 51.804 52.037 -0.206 0.000 0.960 301 A CB 0.102 19.090 19.000 -0.019 0.000 1.152 301 A HN 0.884 nan 8.150 nan 0.000 0.547 302 G N 1.078 109.780 108.800 -0.163 0.000 3.234 302 G HA2 0.614 4.585 3.960 0.018 0.000 0.159 302 G HA3 0.614 4.585 3.960 0.018 0.000 0.159 302 G C -0.350 174.280 174.900 -0.450 0.000 1.175 302 G CA -0.363 44.617 45.100 -0.199 0.000 0.900 302 G HN 0.729 nan 8.290 nan 0.000 0.621 303 H N -0.646 118.482 119.070 0.097 0.000 2.864 303 H HA 0.233 4.799 4.556 0.017 0.000 0.354 303 H C 0.472 175.850 175.328 0.082 0.000 1.208 303 H CA 0.085 56.178 56.048 0.075 0.000 1.191 303 H CB 2.099 31.957 29.762 0.160 0.000 1.889 303 H HN 0.549 nan 8.280 nan 0.000 0.574 304 D N -0.423 120.111 120.400 0.223 0.000 2.144 304 D HA -0.187 4.464 4.640 0.018 0.000 0.199 304 D C 1.715 178.266 176.300 0.418 0.000 0.984 304 D CA 1.970 56.111 54.000 0.236 0.000 0.834 304 D CB -0.873 40.004 40.800 0.128 0.000 0.955 304 D HN 0.625 nan 8.370 nan 0.000 0.465 305 T N -1.203 113.633 114.554 0.469 0.000 2.720 305 T HA -0.247 4.113 4.350 0.018 0.000 0.268 305 T C 1.706 176.552 174.700 0.243 0.000 1.037 305 T CA 1.656 63.942 62.100 0.310 0.000 1.144 305 T CB -0.997 67.948 68.868 0.129 0.000 0.864 305 T HN 0.263 nan 8.240 nan 0.000 0.444 306 N N 1.418 120.277 118.700 0.265 0.000 2.084 306 N HA 0.051 4.802 4.740 0.018 0.000 0.190 306 N C 1.945 177.588 175.510 0.221 0.000 1.030 306 N CA 1.264 54.452 53.050 0.229 0.000 0.849 306 N CB -0.460 38.188 38.487 0.267 0.000 1.012 306 N HN 0.285 nan 8.380 nan 0.000 0.423 307 L N 0.667 122.035 121.223 0.241 0.000 2.012 307 L HA -0.169 4.182 4.340 0.018 0.000 0.210 307 L C 2.571 179.659 176.870 0.363 0.000 1.073 307 L CA 1.185 56.199 54.840 0.289 0.000 0.748 307 L CB -0.664 41.559 42.059 0.274 0.000 0.891 307 L HN 0.256 nan 8.230 nan 0.000 0.431 308 A N 0.174 123.185 122.820 0.317 0.000 1.933 308 A HA -0.218 4.113 4.320 0.018 0.000 0.218 308 A C 1.981 179.655 177.584 0.150 0.000 1.175 308 A CA 2.033 54.208 52.037 0.230 0.000 0.628 308 A CB -0.810 18.369 19.000 0.299 0.000 0.814 308 A HN 0.539 nan 8.150 nan 0.000 0.444 309 N N -0.115 118.671 118.700 0.145 0.000 2.058 309 N HA -0.094 4.656 4.740 0.018 0.000 0.191 309 N C 1.643 177.223 175.510 0.116 0.000 1.037 309 N CA 1.373 54.478 53.050 0.092 0.000 0.848 309 N CB -0.304 38.230 38.487 0.078 0.000 1.021 309 N HN 0.410 nan 8.380 nan 0.000 0.422 310 L N 0.588 121.913 121.223 0.171 0.000 2.042 310 L HA -0.126 4.225 4.340 0.018 0.000 0.210 310 L C 2.620 179.637 176.870 0.245 0.000 1.076 310 L CA 1.236 56.202 54.840 0.210 0.000 0.749 310 L CB -0.891 41.334 42.059 0.276 0.000 0.893 310 L HN 0.312 nan 8.230 nan 0.000 0.432 311 G N -0.334 108.637 108.800 0.286 0.000 2.446 311 G HA2 -0.222 3.749 3.960 0.018 0.000 0.217 311 G HA3 -0.222 3.749 3.960 0.018 0.000 0.217 311 G C 1.573 176.545 174.900 0.121 0.000 1.168 311 G CA 0.784 46.046 45.100 0.270 0.000 0.771 311 G HN 0.493 nan 8.290 nan 0.000 0.551 312 G N 0.812 109.650 108.800 0.063 0.000 2.408 312 G HA2 0.106 4.077 3.960 0.018 0.000 0.217 312 G HA3 0.106 4.077 3.960 0.018 0.000 0.217 312 G C 1.984 176.907 174.900 0.040 0.000 1.150 312 G CA 1.446 46.560 45.100 0.024 0.000 0.776 312 G HN 0.662 nan 8.290 nan 0.000 0.542 313 A N 0.220 123.076 122.820 0.060 0.000 1.968 313 A HA 0.281 4.611 4.320 0.018 0.000 0.217 313 A C 2.167 179.789 177.584 0.064 0.000 1.169 313 A CA 0.730 52.795 52.037 0.047 0.000 0.638 313 A CB -0.182 18.843 19.000 0.042 0.000 0.812 313 A HN 0.335 nan 8.150 nan 0.000 0.446 314 L N -0.892 120.401 121.223 0.117 0.000 2.607 314 L HA 0.141 4.491 4.340 0.018 0.000 0.228 314 L C -0.141 176.814 176.870 0.141 0.000 1.123 314 L CA 0.050 54.977 54.840 0.146 0.000 0.890 314 L CB -0.230 41.980 42.059 0.251 0.000 1.103 314 L HN 0.408 nan 8.230 nan 0.000 0.468 315 E N 0.546 120.813 120.200 0.110 0.000 2.320 315 E HA -0.205 4.155 4.350 0.018 0.000 0.234 315 E C -0.789 175.887 176.600 0.126 0.000 1.183 315 E CA 0.036 56.492 56.400 0.094 0.000 0.713 315 E CB -1.058 28.688 29.700 0.077 0.000 1.226 315 E HN 0.099 nan 8.360 nan 0.000 0.382 316 L N 1.448 122.770 121.223 0.164 0.000 2.305 316 L HA 0.399 4.750 4.340 0.018 0.000 0.284 316 L C 0.273 177.253 176.870 0.183 0.000 1.013 316 L CA -0.271 54.715 54.840 0.242 0.000 0.819 316 L CB 1.377 43.660 42.059 0.374 0.000 1.227 316 L HN 0.073 nan 8.230 nan 0.000 0.417 317 N N 2.874 121.669 118.700 0.158 0.000 2.319 317 N HA 0.666 5.417 4.740 0.018 0.000 0.305 317 N C -1.341 174.284 175.510 0.192 0.000 1.103 317 N CA -0.274 52.777 53.050 0.003 0.000 0.815 317 N CB 2.775 41.259 38.487 -0.005 0.000 1.288 317 N HN 0.585 nan 8.380 nan 0.000 0.493 318 W N -0.345 120.958 121.300 0.005 0.000 3.059 318 W HA 0.528 5.197 4.660 0.016 0.000 0.329 318 W C -1.770 174.718 176.519 -0.051 0.000 1.246 318 W CA -0.633 56.697 57.345 -0.025 0.000 1.190 318 W CB 0.333 29.769 29.460 -0.040 0.000 1.423 318 W HN 0.149 nan 8.180 nan 0.000 0.571 319 T N 2.768 117.472 114.554 0.250 0.000 2.916 319 T HA 0.585 4.946 4.350 0.018 0.000 0.298 319 T C -0.982 173.759 174.700 0.068 0.000 1.031 319 T CA -0.727 61.441 62.100 0.114 0.000 0.993 319 T CB 1.059 69.952 68.868 0.041 0.000 1.045 319 T HN 0.479 nan 8.240 nan 0.000 0.454 320 L N 5.110 126.289 121.223 -0.075 0.000 2.276 320 L HA 0.401 4.752 4.340 0.018 0.000 0.286 320 L C -2.086 174.691 176.870 -0.155 0.000 1.024 320 L CA -2.232 52.373 54.840 -0.392 0.000 0.826 320 L CB 1.041 42.477 42.059 -1.039 0.000 1.211 320 L HN 0.333 nan 8.230 nan 0.000 0.422 321 P HA 0.051 nan 4.420 nan 0.000 0.266 321 P C 0.853 178.260 177.300 0.178 0.000 1.215 321 P CA 0.652 63.820 63.100 0.112 0.000 0.763 321 P CB 1.220 32.998 31.700 0.131 0.000 0.806 322 G N 2.135 111.000 108.800 0.108 0.000 2.176 322 G HA2 -0.226 3.745 3.960 0.018 0.000 0.253 322 G HA3 -0.226 3.745 3.960 0.018 0.000 0.253 322 G C 0.056 175.009 174.900 0.087 0.000 0.979 322 G CA 0.098 45.259 45.100 0.102 0.000 0.641 322 G HN 0.709 nan 8.290 nan 0.000 0.530 323 Q N 0.306 120.139 119.800 0.055 0.000 2.533 323 Q HA 0.527 4.877 4.340 0.018 0.000 0.251 323 Q C -1.147 174.825 176.000 -0.046 0.000 0.966 323 Q CA -1.733 54.066 55.803 -0.007 0.000 0.714 323 Q CB 2.083 30.811 28.738 -0.017 0.000 1.284 323 Q HN 0.179 nan 8.270 nan 0.000 0.478 324 P HA -0.126 nan 4.420 nan 0.000 0.218 324 P C -0.104 177.210 177.300 0.022 0.000 1.148 324 P CA 0.783 63.900 63.100 0.029 0.000 0.822 324 P CB 0.368 32.123 31.700 0.092 0.000 0.784 325 D N 0.093 120.488 120.400 -0.010 0.000 2.295 325 D HA 0.034 4.685 4.640 0.018 0.000 0.248 325 D C 1.017 177.320 176.300 0.004 0.000 1.154 325 D CA -0.276 53.726 54.000 0.003 0.000 0.857 325 D CB 0.189 40.957 40.800 -0.054 0.000 1.117 325 D HN -0.225 nan 8.370 nan 0.000 0.468 326 N N 1.713 120.434 118.700 0.036 0.000 2.381 326 N HA -0.089 4.661 4.740 0.018 0.000 0.182 326 N C 0.315 175.983 175.510 0.264 0.000 1.025 326 N CA 0.877 54.003 53.050 0.127 0.000 0.888 326 N CB 0.089 38.572 38.487 -0.008 0.000 0.965 326 N HN 0.525 nan 8.380 nan 0.000 0.438 327 T N -0.985 113.621 114.554 0.088 0.000 3.466 327 T HA 0.287 4.647 4.350 0.018 0.000 0.297 327 T C -2.871 171.824 174.700 -0.009 0.000 1.640 327 T CA -1.745 60.406 62.100 0.084 0.000 1.631 327 T CB 1.844 70.734 68.868 0.036 0.000 0.928 327 T HN -0.052 nan 8.240 nan 0.000 0.688 328 P HA 0.284 nan 4.420 nan 0.000 0.272 328 P C -2.628 174.654 177.300 -0.029 0.000 1.230 328 P CA -1.530 61.557 63.100 -0.022 0.000 0.788 328 P CB 0.147 31.852 31.700 0.009 0.000 0.949 329 P HA -0.031 nan 4.420 nan 0.000 0.265 329 P C 1.036 178.341 177.300 0.009 0.000 1.193 329 P CA 1.189 64.265 63.100 -0.041 0.000 0.765 329 P CB -0.218 31.490 31.700 0.014 0.000 0.823 330 G N 2.141 110.945 108.800 0.007 0.000 2.205 330 G HA2 -0.218 3.753 3.960 0.018 0.000 0.261 330 G HA3 -0.218 3.753 3.960 0.018 0.000 0.261 330 G C 0.623 175.564 174.900 0.067 0.000 0.980 330 G CA 0.003 45.144 45.100 0.070 0.000 0.632 330 G HN 0.903 nan 8.290 nan 0.000 0.533 331 G N 0.292 109.114 108.800 0.036 0.000 2.265 331 G HA2 0.414 4.384 3.960 0.018 0.000 0.240 331 G HA3 0.414 4.384 3.960 0.018 0.000 0.240 331 G C -0.085 174.812 174.900 -0.005 0.000 1.270 331 G CA 0.428 45.553 45.100 0.041 0.000 0.901 331 G HN 0.575 nan 8.290 nan 0.000 0.507 332 E N 0.847 121.044 120.200 -0.006 0.000 2.199 332 E HA 0.255 4.616 4.350 0.018 0.000 0.265 332 E C -1.013 175.513 176.600 -0.123 0.000 0.882 332 E CA -0.932 55.438 56.400 -0.049 0.000 0.759 332 E CB 2.314 32.032 29.700 0.029 0.000 1.148 332 E HN 0.271 nan 8.360 nan 0.000 0.412 333 L N 4.464 125.593 121.223 -0.156 0.000 2.255 333 L HA 0.268 4.618 4.340 0.018 0.000 0.289 333 L C -1.167 175.556 176.870 -0.245 0.000 1.046 333 L CA -0.590 54.094 54.840 -0.260 0.000 0.816 333 L CB 1.058 43.014 42.059 -0.172 0.000 1.197 333 L HN 0.296 nan 8.230 nan 0.000 0.427 334 V N 6.183 125.918 119.914 -0.299 0.000 2.394 334 V HA 0.428 4.559 4.120 0.018 0.000 0.282 334 V C -0.298 175.592 176.094 -0.340 0.000 1.031 334 V CA -0.390 61.800 62.300 -0.183 0.000 0.881 334 V CB 1.032 32.824 31.823 -0.051 0.000 0.982 334 V HN 0.468 nan 8.190 nan 0.000 0.451 335 F N 2.736 122.672 119.950 -0.024 0.000 2.458 335 F HA 0.605 5.142 4.527 0.017 0.000 0.336 335 F C 0.504 176.274 175.800 -0.050 0.000 1.114 335 F CA -0.488 57.477 58.000 -0.058 0.000 0.987 335 F CB 1.637 40.582 39.000 -0.092 0.000 1.130 335 F HN 0.465 nan 8.300 nan 0.000 0.458 336 E N 2.386 122.660 120.200 0.123 0.000 2.272 336 E HA 0.422 4.783 4.350 0.018 0.000 0.269 336 E C -0.908 175.710 176.600 0.030 0.000 0.877 336 E CA -1.177 55.241 56.400 0.030 0.000 0.755 336 E CB 2.722 32.460 29.700 0.063 0.000 1.192 336 E HN 0.399 nan 8.360 nan 0.000 0.422 337 R N 2.646 123.082 120.500 -0.106 0.000 2.255 337 R HA 0.316 4.667 4.340 0.018 0.000 0.326 337 R C -1.504 174.728 176.300 -0.114 0.000 0.986 337 R CA -0.526 55.562 56.100 -0.020 0.000 0.847 337 R CB 0.702 30.986 30.300 -0.027 0.000 1.111 337 R HN 0.507 nan 8.270 nan 0.000 0.452 338 W N 3.509 124.873 121.300 0.106 0.000 2.632 338 W HA 0.439 5.110 4.660 0.019 0.000 0.328 338 W C 0.318 176.949 176.519 0.188 0.000 1.044 338 W CA -0.645 56.776 57.345 0.126 0.000 1.225 338 W CB 1.183 30.717 29.460 0.123 0.000 1.396 338 W HN 0.143 nan 8.180 nan 0.000 0.499 339 R N 3.355 124.066 120.500 0.352 0.000 2.338 339 R HA 0.387 4.738 4.340 0.018 0.000 0.317 339 R C -0.351 176.126 176.300 0.295 0.000 0.968 339 R CA -1.034 55.239 56.100 0.288 0.000 0.849 339 R CB 1.145 31.539 30.300 0.156 0.000 1.128 339 R HN 0.648 nan 8.270 nan 0.000 0.448 340 R N 5.443 126.144 120.500 0.335 0.000 2.248 340 R HA 0.105 4.456 4.340 0.018 0.000 0.337 340 R C 1.194 177.593 176.300 0.166 0.000 1.085 340 R CA -0.125 56.114 56.100 0.233 0.000 0.934 340 R CB 0.315 30.777 30.300 0.269 0.000 1.034 340 R HN 0.736 nan 8.270 nan 0.000 0.465 341 L N 2.486 123.782 121.223 0.121 0.000 2.051 341 L HA -0.325 4.026 4.340 0.018 0.000 0.214 341 L C 2.455 179.370 176.870 0.075 0.000 1.076 341 L CA 1.954 56.847 54.840 0.088 0.000 0.758 341 L CB -0.715 41.385 42.059 0.069 0.000 0.890 341 L HN 0.743 nan 8.230 nan 0.000 0.433 342 S N 0.327 116.070 115.700 0.072 0.000 2.374 342 S HA -0.219 4.262 4.470 0.018 0.000 0.227 342 S C 1.239 175.879 174.600 0.068 0.000 1.037 342 S CA 1.678 59.914 58.200 0.060 0.000 1.024 342 S CB -0.411 62.820 63.200 0.052 0.000 0.861 342 S HN 0.708 nan 8.310 nan 0.000 0.456 343 D N -1.211 119.245 120.400 0.093 0.000 2.556 343 D HA 0.235 4.886 4.640 0.018 0.000 0.237 343 D C 0.130 176.483 176.300 0.088 0.000 1.296 343 D CA -0.268 53.785 54.000 0.088 0.000 0.807 343 D CB -1.119 39.741 40.800 0.101 0.000 1.084 343 D HN 0.249 nan 8.370 nan 0.000 0.510 344 N N 0.062 118.820 118.700 0.097 0.000 2.753 344 N HA -0.197 4.554 4.740 0.018 0.000 0.251 344 N C -0.660 174.901 175.510 0.085 0.000 1.097 344 N CA 1.081 54.182 53.050 0.085 0.000 0.786 344 N CB -1.530 36.987 38.487 0.051 0.000 1.137 344 N HN 0.538 nan 8.380 nan 0.000 0.566 345 S N -0.577 115.201 115.700 0.131 0.000 2.572 345 S HA 0.301 4.782 4.470 0.018 0.000 0.279 345 S C 0.117 174.734 174.600 0.027 0.000 1.341 345 S CA -0.456 57.781 58.200 0.061 0.000 1.043 345 S CB 1.563 64.879 63.200 0.193 0.000 0.887 345 S HN 0.125 nan 8.310 nan 0.000 0.516 346 Q N 1.316 120.982 119.800 -0.222 0.000 2.282 346 Q HA 0.437 4.787 4.340 0.018 0.000 0.260 346 Q C -1.441 174.298 176.000 -0.436 0.000 0.964 346 Q CA -0.048 55.671 55.803 -0.139 0.000 0.880 346 Q CB 1.538 30.235 28.738 -0.070 0.000 1.286 346 Q HN 0.858 nan 8.270 nan 0.000 0.445 347 W N 1.791 123.169 121.300 0.130 0.000 2.936 347 W HA 0.524 5.192 4.660 0.014 0.000 0.338 347 W C -0.501 176.108 176.519 0.149 0.000 1.121 347 W CA -0.583 56.838 57.345 0.128 0.000 1.209 347 W CB 1.223 30.750 29.460 0.111 0.000 1.420 347 W HN 0.303 nan 8.180 nan 0.000 0.516 348 I N 2.473 123.221 120.570 0.297 0.000 2.362 348 I HA 0.280 4.461 4.170 0.018 0.000 0.289 348 I C -0.338 175.871 176.117 0.153 0.000 0.994 348 I CA -1.091 60.284 61.300 0.125 0.000 1.158 348 I CB 1.287 39.156 38.000 -0.219 0.000 1.315 348 I HN 0.520 nan 8.210 nan 0.000 0.451 349 Q N 5.651 125.569 119.800 0.197 0.000 2.337 349 Q HA 0.731 5.081 4.340 0.018 0.000 0.266 349 Q C -1.854 174.175 176.000 0.049 0.000 1.023 349 Q CA -0.549 55.337 55.803 0.139 0.000 0.829 349 Q CB 2.395 31.248 28.738 0.192 0.000 1.306 349 Q HN 0.479 nan 8.270 nan 0.000 0.449 350 V N 2.532 122.428 119.914 -0.031 0.000 2.735 350 V HA 0.795 4.925 4.120 0.018 0.000 0.310 350 V C -0.646 175.353 176.094 -0.158 0.000 1.061 350 V CA -0.494 61.688 62.300 -0.198 0.000 0.913 350 V CB 1.636 33.309 31.823 -0.249 0.000 1.005 350 V HN 0.959 nan 8.190 nan 0.000 0.428 351 S N 3.765 119.328 115.700 -0.228 0.000 2.625 351 S HA 0.777 5.257 4.470 0.018 0.000 0.271 351 S C -1.764 172.688 174.600 -0.247 0.000 1.161 351 S CA -0.802 57.300 58.200 -0.164 0.000 0.820 351 S CB 2.189 65.351 63.200 -0.064 0.000 1.137 351 S HN 0.636 nan 8.310 nan 0.000 0.470 352 L N 2.423 123.511 121.223 -0.226 0.000 2.319 352 L HA 0.704 5.055 4.340 0.018 0.000 0.281 352 L C -1.243 175.620 176.870 -0.012 0.000 1.005 352 L CA -0.696 53.972 54.840 -0.286 0.000 0.828 352 L CB 1.216 42.889 42.059 -0.642 0.000 1.227 352 L HN 0.778 nan 8.230 nan 0.000 0.415 353 V N 6.877 126.798 119.914 0.012 0.000 2.483 353 V HA 0.621 4.752 4.120 0.018 0.000 0.295 353 V C -0.348 175.815 176.094 0.115 0.000 1.035 353 V CA -0.433 61.884 62.300 0.029 0.000 0.896 353 V CB 1.478 33.314 31.823 0.023 0.000 0.986 353 V HN 0.680 nan 8.190 nan 0.000 0.447 354 F N 1.600 121.493 119.950 -0.095 0.000 2.719 354 F HA 0.663 5.202 4.527 0.019 0.000 0.309 354 F C -0.887 174.873 175.800 -0.068 0.000 1.138 354 F CA -1.211 56.746 58.000 -0.072 0.000 0.943 354 F CB 1.567 40.517 39.000 -0.083 0.000 1.304 354 F HN 0.349 nan 8.300 nan 0.000 0.445 355 Q N 1.861 121.640 119.800 -0.034 0.000 2.261 355 Q HA 0.465 4.815 4.340 0.018 0.000 0.252 355 Q C -0.029 176.014 176.000 0.072 0.000 0.915 355 Q CA -0.726 55.026 55.803 -0.085 0.000 0.915 355 Q CB 1.820 30.555 28.738 -0.004 0.000 1.204 355 Q HN 0.815 nan 8.270 nan 0.000 0.421 356 T N -0.869 113.684 114.554 -0.001 0.000 2.802 356 T HA 0.035 4.396 4.350 0.018 0.000 0.305 356 T C 0.973 175.692 174.700 0.032 0.000 1.053 356 T CA -0.688 61.479 62.100 0.111 0.000 1.058 356 T CB 0.504 69.398 68.868 0.043 0.000 0.988 356 T HN 0.516 nan 8.240 nan 0.000 0.539 357 L N 0.492 121.704 121.223 -0.018 0.000 2.131 357 L HA -0.028 4.322 4.340 0.018 0.000 0.210 357 L C 2.706 179.508 176.870 -0.114 0.000 1.092 357 L CA 1.786 56.548 54.840 -0.130 0.000 0.759 357 L CB -1.208 40.677 42.059 -0.291 0.000 0.903 357 L HN 0.847 nan 8.230 nan 0.000 0.435 358 Q N -0.451 119.306 119.800 -0.072 0.000 2.046 358 Q HA -0.210 4.141 4.340 0.018 0.000 0.200 358 Q C 2.241 178.224 176.000 -0.027 0.000 0.975 358 Q CA 1.844 57.619 55.803 -0.047 0.000 0.836 358 Q CB -0.241 28.483 28.738 -0.024 0.000 0.896 358 Q HN 0.636 nan 8.270 nan 0.000 0.428 359 Q N -0.938 118.849 119.800 -0.022 0.000 2.226 359 Q HA -0.137 4.214 4.340 0.018 0.000 0.204 359 Q C 2.025 178.034 176.000 0.014 0.000 0.975 359 Q CA 1.485 57.283 55.803 -0.007 0.000 0.866 359 Q CB -0.096 28.625 28.738 -0.027 0.000 0.915 359 Q HN 0.466 nan 8.270 nan 0.000 0.440 360 M N -0.533 119.064 119.600 -0.006 0.000 2.160 360 M HA -0.091 4.400 4.480 0.018 0.000 0.264 360 M C 2.180 178.474 176.300 -0.009 0.000 1.073 360 M CA 0.885 56.183 55.300 -0.004 0.000 1.142 360 M CB -0.120 32.468 32.600 -0.021 0.000 1.358 360 M HN 0.000 nan 8.290 nan 0.000 0.422 361 R N 1.217 121.699 120.500 -0.030 0.000 2.083 361 R HA -0.139 4.212 4.340 0.018 0.000 0.237 361 R C 1.147 177.445 176.300 -0.002 0.000 1.137 361 R CA 1.674 57.759 56.100 -0.025 0.000 0.951 361 R CB -0.904 29.373 30.300 -0.038 0.000 0.851 361 R HN 0.380 nan 8.270 nan 0.000 0.434 362 D N 0.204 120.608 120.400 0.007 0.000 2.349 362 D HA -0.045 4.606 4.640 0.018 0.000 0.215 362 D C 0.267 176.596 176.300 0.048 0.000 1.016 362 D CA 0.081 54.093 54.000 0.020 0.000 0.870 362 D CB -0.036 40.773 40.800 0.014 0.000 0.917 362 D HN 0.138 nan 8.370 nan 0.000 0.524 363 K N 1.417 121.855 120.400 0.064 0.000 3.257 363 K HA -0.172 4.159 4.320 0.018 0.000 0.270 363 K C -0.511 176.235 176.600 0.244 0.000 0.984 363 K CA 0.535 56.905 56.287 0.138 0.000 0.739 363 K CB -1.566 30.994 32.500 0.100 0.000 1.351 363 K HN 0.270 nan 8.250 nan 0.000 0.463 364 T N 0.614 115.260 114.554 0.152 0.000 2.779 364 T HA 0.366 4.727 4.350 0.018 0.000 0.296 364 T C -1.912 172.778 174.700 -0.017 0.000 0.938 364 T CA -1.482 60.654 62.100 0.059 0.000 1.119 364 T CB 1.124 69.995 68.868 0.005 0.000 0.891 364 T HN 0.132 nan 8.240 nan 0.000 0.526 365 P HA 0.211 nan 4.420 nan 0.000 0.268 365 P C -0.399 176.726 177.300 -0.291 0.000 1.204 365 P CA -0.379 62.301 63.100 -0.700 0.000 0.768 365 P CB 0.713 32.031 31.700 -0.636 0.000 0.842 366 L N 2.332 123.437 121.223 -0.197 0.000 2.375 366 L HA 0.632 4.982 4.340 0.018 0.000 0.268 366 L C 1.000 177.935 176.870 0.109 0.000 1.058 366 L CA -0.278 54.548 54.840 -0.022 0.000 0.803 366 L CB 1.386 43.452 42.059 0.013 0.000 1.212 366 L HN 0.594 nan 8.230 nan 0.000 0.451 367 S N 0.028 115.815 115.700 0.146 0.000 2.636 367 S HA 0.310 4.791 4.470 0.018 0.000 0.266 367 S C -0.001 174.731 174.600 0.219 0.000 1.147 367 S CA -0.792 57.519 58.200 0.185 0.000 0.815 367 S CB 1.035 64.288 63.200 0.089 0.000 1.119 367 S HN 0.341 nan 8.310 nan 0.000 0.470 368 L N 1.788 123.099 121.223 0.147 0.000 2.042 368 L HA 0.040 4.391 4.340 0.018 0.000 0.210 368 L C 2.339 179.259 176.870 0.083 0.000 1.076 368 L CA 2.251 57.172 54.840 0.135 0.000 0.749 368 L CB -1.312 40.771 42.059 0.039 0.000 0.893 368 L HN 0.908 nan 8.230 nan 0.000 0.432 369 N N -1.647 117.080 118.700 0.045 0.000 2.244 369 N HA -0.095 4.656 4.740 0.018 0.000 0.183 369 N C -0.085 175.427 175.510 0.002 0.000 1.016 369 N CA 1.232 54.292 53.050 0.017 0.000 0.866 369 N CB 0.215 38.706 38.487 0.006 0.000 0.980 369 N HN 0.219 nan 8.380 nan 0.000 0.430 370 T N 2.664 117.218 114.554 -0.000 0.000 3.327 370 T HA 0.303 4.664 4.350 0.018 0.000 0.373 370 T C -2.782 171.873 174.700 -0.075 0.000 1.589 370 T CA -1.242 60.835 62.100 -0.038 0.000 1.497 370 T CB 1.786 70.629 68.868 -0.043 0.000 1.032 370 T HN 0.152 nan 8.240 nan 0.000 0.640 371 P HA 0.401 nan 4.420 nan 0.000 0.276 371 P C -2.691 174.366 177.300 -0.405 0.000 1.261 371 P CA -1.617 61.293 63.100 -0.316 0.000 0.800 371 P CB 0.425 31.990 31.700 -0.224 0.000 1.066 372 P HA 0.135 nan 4.420 nan 0.000 0.276 372 P C 0.391 177.335 177.300 -0.593 0.000 1.261 372 P CA 0.002 62.785 63.100 -0.529 0.000 0.800 372 P CB 0.216 31.593 31.700 -0.537 0.000 1.066 373 G N -0.056 108.229 108.800 -0.860 0.000 2.614 373 G HA2 0.268 4.239 3.960 0.018 0.000 0.239 373 G HA3 0.268 4.239 3.960 0.018 0.000 0.239 373 G C -0.686 173.660 174.900 -0.923 0.000 1.240 373 G CA -0.047 44.408 45.100 -1.075 0.000 0.842 373 G HN 0.661 nan 8.290 nan 0.000 0.584 374 E N -0.590 119.415 120.200 -0.325 0.000 2.347 374 E HA 0.425 4.786 4.350 0.018 0.000 0.285 374 E C -1.685 174.985 176.600 0.116 0.000 0.925 374 E CA -0.608 55.765 56.400 -0.044 0.000 0.779 374 E CB 2.315 31.969 29.700 -0.076 0.000 1.233 374 E HN 0.307 nan 8.360 nan 0.000 0.414 375 V N 3.767 123.764 119.914 0.138 0.000 2.487 375 V HA 0.363 4.494 4.120 0.018 0.000 0.298 375 V C -0.381 175.721 176.094 0.014 0.000 1.028 375 V CA -0.889 61.460 62.300 0.082 0.000 0.860 375 V CB 1.823 33.693 31.823 0.079 0.000 0.991 375 V HN 0.586 nan 8.190 nan 0.000 0.427 376 K N 3.613 124.024 120.400 0.018 0.000 2.276 376 K HA 0.543 4.874 4.320 0.018 0.000 0.283 376 K C -0.878 175.732 176.600 0.016 0.000 1.044 376 K CA -0.155 56.134 56.287 0.003 0.000 0.944 376 K CB 0.613 33.114 32.500 0.002 0.000 1.012 376 K HN 0.357 nan 8.250 nan 0.000 0.472 377 L N 2.206 123.432 121.223 0.005 0.000 2.334 377 L HA 0.516 4.866 4.340 0.018 0.000 0.272 377 L C -0.050 176.855 176.870 0.059 0.000 1.020 377 L CA -0.221 54.647 54.840 0.046 0.000 0.812 377 L CB 1.942 44.023 42.059 0.036 0.000 1.264 377 L HN 0.578 nan 8.230 nan 0.000 0.439 378 T N 2.635 117.242 114.554 0.088 0.000 2.812 378 T HA 0.508 4.869 4.350 0.018 0.000 0.282 378 T C -0.065 174.708 174.700 0.121 0.000 0.990 378 T CA -0.470 61.685 62.100 0.092 0.000 0.960 378 T CB 0.855 69.768 68.868 0.076 0.000 0.948 378 T HN 0.272 nan 8.240 nan 0.000 0.438 379 L N 3.422 124.730 121.223 0.143 0.000 2.515 379 L HA 0.197 4.548 4.340 0.018 0.000 0.281 379 L C 1.886 178.834 176.870 0.130 0.000 1.131 379 L CA -0.467 54.474 54.840 0.168 0.000 0.905 379 L CB 0.162 42.355 42.059 0.223 0.000 1.246 379 L HN 0.915 nan 8.230 nan 0.000 0.463 380 A N 3.821 126.709 122.820 0.113 0.000 1.915 380 A HA -0.238 4.092 4.320 0.018 0.000 0.220 380 A C 2.183 179.815 177.584 0.080 0.000 1.198 380 A CA 2.311 54.400 52.037 0.087 0.000 0.647 380 A CB -0.927 18.119 19.000 0.077 0.000 0.825 380 A HN 0.847 nan 8.150 nan 0.000 0.456 381 G N -1.616 107.234 108.800 0.083 0.000 2.421 381 G HA2 -0.042 3.929 3.960 0.018 0.000 0.217 381 G HA3 -0.042 3.929 3.960 0.018 0.000 0.217 381 G C 0.910 175.856 174.900 0.077 0.000 1.143 381 G CA 0.783 45.925 45.100 0.069 0.000 0.784 381 G HN 0.659 nan 8.290 nan 0.000 0.541 382 c N 1.118 119.780 118.600 0.105 0.000 2.563 382 c HA 0.250 4.830 4.570 0.018 0.000 0.411 382 c C 1.510 175.661 174.090 0.102 0.000 1.386 382 c CA 0.290 56.690 56.329 0.117 0.000 1.703 382 c CB -0.131 42.476 42.510 0.162 0.000 2.596 382 c HN 0.642 nan 8.230 nan 0.000 0.605 383 E N 1.006 121.264 120.200 0.097 0.000 2.508 383 E HA 0.060 4.421 4.350 0.018 0.000 0.217 383 E C 0.171 176.836 176.600 0.107 0.000 0.896 383 E CA 0.018 56.470 56.400 0.087 0.000 1.118 383 E CB 0.286 30.025 29.700 0.065 0.000 1.133 383 E HN 0.770 nan 8.360 nan 0.000 0.526 384 E N 2.326 122.607 120.200 0.135 0.000 2.079 384 E HA 0.153 4.513 4.350 0.018 0.000 0.252 384 E C -0.712 176.080 176.600 0.321 0.000 0.992 384 E CA -0.235 56.276 56.400 0.186 0.000 0.829 384 E CB 0.260 30.043 29.700 0.137 0.000 1.158 384 E HN 0.018 nan 8.360 nan 0.000 0.435 385 R N 2.060 122.718 120.500 0.263 0.000 2.668 385 R HA 0.342 4.693 4.340 0.018 0.000 0.279 385 R C 0.376 176.710 176.300 0.057 0.000 0.976 385 R CA -0.665 55.576 56.100 0.235 0.000 0.978 385 R CB 1.232 31.593 30.300 0.101 0.000 1.133 385 R HN 0.547 nan 8.270 nan 0.000 0.484 386 N N 0.023 118.546 118.700 -0.294 0.000 2.495 386 N HA 0.276 5.027 4.740 0.018 0.000 0.294 386 N C 0.699 176.005 175.510 -0.340 0.000 1.276 386 N CA -0.529 52.131 53.050 -0.650 0.000 0.973 386 N CB 0.743 38.350 38.487 -1.465 0.000 1.143 386 N HN 0.423 nan 8.380 nan 0.000 0.589 387 A N 0.073 122.697 122.820 -0.328 0.000 1.883 387 A HA -0.220 4.110 4.320 0.018 0.000 0.217 387 A C 2.050 179.517 177.584 -0.194 0.000 1.186 387 A CA 1.548 53.459 52.037 -0.211 0.000 0.624 387 A CB -0.989 17.897 19.000 -0.191 0.000 0.822 387 A HN 0.756 nan 8.150 nan 0.000 0.444 388 Q N -1.227 118.420 119.800 -0.254 0.000 2.541 388 Q HA 0.257 4.608 4.340 0.018 0.000 0.215 388 Q C 1.218 177.120 176.000 -0.162 0.000 0.977 388 Q CA 0.928 56.596 55.803 -0.225 0.000 0.934 388 Q CB -0.281 28.268 28.738 -0.316 0.000 0.988 388 Q HN 1.027 nan 8.270 nan 0.000 0.521 389 G N -0.734 107.986 108.800 -0.134 0.000 2.141 389 G HA2 -0.296 3.675 3.960 0.018 0.000 0.242 389 G HA3 -0.296 3.675 3.960 0.018 0.000 0.242 389 G C 0.069 174.964 174.900 -0.008 0.000 0.982 389 G CA 0.090 45.157 45.100 -0.056 0.000 0.662 389 G HN 0.246 nan 8.290 nan 0.000 0.527 390 M N -0.184 119.397 119.600 -0.031 0.000 2.228 390 M HA 0.444 4.935 4.480 0.018 0.000 0.326 390 M C 0.927 177.403 176.300 0.292 0.000 1.122 390 M CA -0.327 55.035 55.300 0.104 0.000 1.161 390 M CB 1.273 33.932 32.600 0.099 0.000 1.437 390 M HN 0.285 nan 8.290 nan 0.000 0.465 391 c N 2.069 120.870 118.600 0.335 0.000 2.341 391 c HA 0.540 5.121 4.570 0.018 0.000 0.338 391 c C 0.678 174.990 174.090 0.370 0.000 1.257 391 c CA -0.652 55.892 56.329 0.358 0.000 1.883 391 c CB 0.503 43.181 42.510 0.279 0.000 2.334 391 c HN 0.950 nan 8.230 nan 0.000 0.524 392 S N 4.967 120.770 115.700 0.171 0.000 2.572 392 S HA 0.102 4.583 4.470 0.018 0.000 0.279 392 S C 0.919 175.447 174.600 -0.120 0.000 1.341 392 S CA -0.427 57.534 58.200 -0.399 0.000 1.043 392 S CB 0.635 63.455 63.200 -0.635 0.000 0.887 392 S HN 0.960 nan 8.310 nan 0.000 0.516 393 L N 2.443 123.554 121.223 -0.186 0.000 2.129 393 L HA -0.061 4.289 4.340 0.018 0.000 0.212 393 L C 2.466 179.368 176.870 0.053 0.000 1.087 393 L CA 2.404 57.250 54.840 0.010 0.000 0.757 393 L CB -1.313 40.724 42.059 -0.038 0.000 0.896 393 L HN 0.949 nan 8.230 nan 0.000 0.434 394 A N -0.771 122.021 122.820 -0.047 0.000 1.897 394 A HA 0.026 4.356 4.320 0.018 0.000 0.215 394 A C 2.348 179.935 177.584 0.005 0.000 1.181 394 A CA 1.248 53.269 52.037 -0.028 0.000 0.620 394 A CB -1.476 17.487 19.000 -0.062 0.000 0.821 394 A HN 0.502 nan 8.150 nan 0.000 0.443 395 G N -1.173 107.642 108.800 0.025 0.000 2.418 395 G HA2 -0.238 3.733 3.960 0.018 0.000 0.217 395 G HA3 -0.238 3.733 3.960 0.018 0.000 0.217 395 G C 1.514 176.473 174.900 0.100 0.000 1.158 395 G CA 1.124 46.262 45.100 0.063 0.000 0.771 395 G HN 0.508 nan 8.290 nan 0.000 0.545 396 F N 1.830 121.793 119.950 0.021 0.000 2.102 396 F HA -0.092 4.444 4.527 0.014 0.000 0.298 396 F C 2.897 178.706 175.800 0.015 0.000 1.105 396 F CA 2.051 60.077 58.000 0.043 0.000 1.239 396 F CB -0.260 38.779 39.000 0.064 0.000 0.991 396 F HN 0.107 nan 8.300 nan 0.000 0.474 397 T N 0.038 114.529 114.554 -0.106 0.000 2.759 397 T HA -0.276 4.085 4.350 0.018 0.000 0.269 397 T C 1.847 176.429 174.700 -0.197 0.000 1.042 397 T CA 1.667 63.650 62.100 -0.195 0.000 1.140 397 T CB -0.374 68.463 68.868 -0.052 0.000 0.864 397 T HN 0.452 nan 8.240 nan 0.000 0.455 398 Q N 0.224 119.951 119.800 -0.122 0.000 2.046 398 Q HA -0.045 4.305 4.340 0.018 0.000 0.200 398 Q C 2.317 178.245 176.000 -0.119 0.000 0.975 398 Q CA 1.192 56.939 55.803 -0.093 0.000 0.836 398 Q CB -0.241 28.471 28.738 -0.045 0.000 0.896 398 Q HN 0.518 nan 8.270 nan 0.000 0.428 399 I N 0.008 120.493 120.570 -0.142 0.000 2.163 399 I HA -0.300 3.880 4.170 0.018 0.000 0.243 399 I C 2.251 178.253 176.117 -0.193 0.000 1.085 399 I CA 0.961 62.182 61.300 -0.132 0.000 1.347 399 I CB -0.244 37.699 38.000 -0.095 0.000 1.044 399 I HN 0.109 nan 8.210 nan 0.000 0.408 400 V N 1.114 120.816 119.914 -0.353 0.000 2.343 400 V HA -0.279 3.852 4.120 0.018 0.000 0.247 400 V C 2.131 178.111 176.094 -0.191 0.000 1.051 400 V CA 1.930 64.035 62.300 -0.325 0.000 1.036 400 V CB -0.840 30.692 31.823 -0.484 0.000 0.654 400 V HN 0.462 nan 8.190 nan 0.000 0.451 401 N N 0.101 118.700 118.700 -0.168 0.000 2.223 401 N HA -0.155 4.595 4.740 0.018 0.000 0.185 401 N C 1.799 177.259 175.510 -0.083 0.000 1.016 401 N CA 1.296 54.280 53.050 -0.110 0.000 0.863 401 N CB -0.163 38.269 38.487 -0.093 0.000 0.983 401 N HN 0.623 nan 8.380 nan 0.000 0.429 402 E N -0.010 120.142 120.200 -0.079 0.000 2.385 402 E HA 0.129 4.489 4.350 0.018 0.000 0.194 402 E C 1.640 178.210 176.600 -0.050 0.000 1.013 402 E CA 0.303 56.670 56.400 -0.055 0.000 0.866 402 E CB 0.183 29.856 29.700 -0.044 0.000 0.832 402 E HN 0.304 nan 8.360 nan 0.000 0.500 403 A N 1.865 124.648 122.820 -0.062 0.000 1.903 403 A HA -0.038 4.292 4.320 0.018 0.000 0.213 403 A C 1.213 178.769 177.584 -0.046 0.000 1.185 403 A CA 0.208 52.217 52.037 -0.047 0.000 0.628 403 A CB -0.220 18.751 19.000 -0.047 0.000 0.830 403 A HN 0.107 nan 8.150 nan 0.000 0.446 404 R N -0.312 120.152 120.500 -0.060 0.000 2.784 404 R HA 0.378 4.729 4.340 0.018 0.000 0.266 404 R C -0.640 175.633 176.300 -0.046 0.000 1.044 404 R CA 0.001 56.068 56.100 -0.054 0.000 1.151 404 R CB 0.182 30.442 30.300 -0.067 0.000 1.037 404 R HN 0.107 nan 8.270 nan 0.000 0.478 405 I N 3.142 123.687 120.570 -0.041 0.000 2.371 405 I HA 0.164 4.345 4.170 0.018 0.000 0.282 405 I C -1.528 174.567 176.117 -0.037 0.000 1.031 405 I CA -3.021 58.257 61.300 -0.036 0.000 1.180 405 I CB 1.018 38.998 38.000 -0.033 0.000 1.336 405 I HN 0.611 nan 8.210 nan 0.000 0.467 406 P HA -0.244 nan 4.420 nan 0.000 0.218 406 P C 1.306 178.586 177.300 -0.033 0.000 1.150 406 P CA 1.610 64.687 63.100 -0.037 0.000 0.841 406 P CB 0.418 32.097 31.700 -0.035 0.000 0.784 407 A N -0.875 121.927 122.820 -0.030 0.000 2.121 407 A HA -0.110 4.220 4.320 0.018 0.000 0.218 407 A C 2.130 179.698 177.584 -0.028 0.000 1.154 407 A CA 1.353 53.373 52.037 -0.027 0.000 0.679 407 A CB -1.407 17.578 19.000 -0.025 0.000 0.795 407 A HN 0.315 nan 8.150 nan 0.000 0.458 408 c N 0.125 118.707 118.600 -0.030 0.000 2.754 408 c HA 0.306 4.887 4.570 0.018 0.000 0.276 408 c C 1.199 175.269 174.090 -0.033 0.000 1.264 408 c CA -0.673 55.638 56.329 -0.029 0.000 1.700 408 c CB -1.665 40.828 42.510 -0.029 0.000 1.885 408 c HN 0.416 nan 8.230 nan 0.000 0.607 409 S N 1.053 116.731 115.700 -0.037 0.000 2.585 409 S HA 0.432 4.913 4.470 0.018 0.000 0.273 409 S C 0.275 174.852 174.600 -0.039 0.000 1.339 409 S CA -0.112 58.063 58.200 -0.042 0.000 1.028 409 S CB 0.504 63.677 63.200 -0.044 0.000 0.906 409 S HN 0.354 nan 8.310 nan 0.000 0.528 410 L N 0.000 121.197 121.223 -0.043 0.000 2.949 410 L HA 0.000 4.351 4.340 0.018 0.000 0.249 410 L CA 0.000 54.816 54.840 -0.041 0.000 0.813 410 L CB 0.000 42.032 42.059 -0.045 0.000 0.961 410 L HN 0.000 nan 8.230 nan 0.000 0.502