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 3gcl_1_A DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVKcDENSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLALPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SNEHSKTQcE EYcIQGDNcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLAREQI NAVTSFLDAS LVYGSEPXLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYLPFN NKKPSPcEFI NTTARVPcFL DATA SEQUENCE AGDFRASEQI LLATAHTLLL REHNRLAREL KKLNPHWNGE KLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKKSKLMNQD KMVTSELRNK LFQPTHKIHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQTV LKNKILAKKL MDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS TVDKLDLSPW ASREN 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.608 174.600 0.013 0.000 1.055 1 S CA 0.000 58.174 58.200 -0.044 0.000 1.107 1 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 2 W N 2.299 123.616 121.300 0.027 0.000 1.992 2 W HA 0.417 5.017 4.660 -0.101 0.000 0.360 2 W C 0.848 177.386 176.519 0.032 0.000 1.369 2 W CA -0.187 57.177 57.345 0.032 0.000 1.403 2 W CB 0.385 29.865 29.460 0.034 0.000 1.215 2 W HN 0.599 nan 8.180 nan 0.000 0.643 3 E N 0.944 121.340 120.200 0.327 0.000 2.738 3 E HA 0.145 4.435 4.350 -0.101 0.000 0.347 3 E C -1.047 175.643 176.600 0.150 0.000 1.077 3 E CA -0.094 56.418 56.400 0.186 0.000 0.755 3 E CB 1.396 31.180 29.700 0.138 0.000 1.576 3 E HN 0.132 nan 8.360 nan 0.000 0.379 4 V N 3.023 123.002 119.914 0.107 0.000 2.940 4 V HA 0.283 4.342 4.120 -0.101 0.000 0.366 4 V C 0.893 177.010 176.094 0.039 0.000 1.353 4 V CA 0.757 63.094 62.300 0.061 0.000 1.232 4 V CB 0.643 32.471 31.823 0.009 0.000 1.278 4 V HN 0.629 nan 8.190 nan 0.000 0.546 5 G N -0.819 108.011 108.800 0.050 0.000 2.518 5 G HA2 -0.129 3.770 3.960 -0.101 0.000 0.213 5 G HA3 -0.129 3.770 3.960 -0.101 0.000 0.213 5 G C 0.877 175.796 174.900 0.030 0.000 1.226 5 G CA 0.643 45.765 45.100 0.036 0.000 0.822 5 G HN 0.484 nan 8.290 nan 0.000 0.546 6 c N 1.681 120.305 118.600 0.039 0.000 1.898 6 c HA 0.407 4.916 4.570 -0.101 0.000 0.408 6 c C 1.111 175.204 174.090 0.005 0.000 1.543 6 c CA 1.012 57.355 56.329 0.023 0.000 1.487 6 c CB -1.657 40.876 42.510 0.037 0.000 2.688 6 c HN 1.059 nan 8.230 nan 0.000 0.577 7 G N 2.559 111.349 108.800 -0.016 0.000 2.322 7 G HA2 0.609 4.509 3.960 -0.101 0.000 0.289 7 G HA3 0.609 4.509 3.960 -0.101 0.000 0.289 7 G C -0.437 174.447 174.900 -0.026 0.000 1.687 7 G CA 0.226 45.312 45.100 -0.022 0.000 0.944 7 G HN 1.793 nan 8.290 nan 0.000 0.718 8 A N 1.294 124.092 122.820 -0.037 0.000 2.571 8 A HA 0.432 4.691 4.320 -0.101 0.000 0.194 8 A C -1.944 175.613 177.584 -0.045 0.000 1.772 8 A CA 0.864 52.880 52.037 -0.035 0.000 1.517 8 A CB -0.689 18.288 19.000 -0.039 0.000 1.337 8 A HN 0.699 nan 8.150 nan 0.000 0.362 9 P HA 0.231 nan 4.420 nan 0.000 0.297 9 P C -0.787 176.475 177.300 -0.063 0.000 1.544 9 P CA 1.316 64.367 63.100 -0.082 0.000 0.798 9 P CB -0.497 31.127 31.700 -0.127 0.000 1.757 10 V N -3.487 116.404 119.914 -0.038 0.000 2.610 10 V HA 0.483 4.543 4.120 -0.101 0.000 0.298 10 V C -3.001 173.090 176.094 -0.006 0.000 1.067 10 V CA -2.879 59.410 62.300 -0.019 0.000 0.894 10 V CB 1.927 33.745 31.823 -0.008 0.000 1.015 10 V HN -0.191 nan 8.190 nan 0.000 0.432 11 P HA 0.363 nan 4.420 nan 0.000 0.264 11 P C -0.637 176.675 177.300 0.020 0.000 1.229 11 P CA 0.280 63.386 63.100 0.010 0.000 0.780 11 P CB 0.661 32.371 31.700 0.017 0.000 0.808 12 L N 5.779 127.011 121.223 0.016 0.000 2.304 12 L HA 0.781 5.061 4.340 -0.101 0.000 0.268 12 L C -0.378 176.505 176.870 0.021 0.000 1.010 12 L CA -0.602 54.251 54.840 0.022 0.000 0.813 12 L CB 2.037 44.107 42.059 0.018 0.000 1.315 12 L HN 0.305 nan 8.230 nan 0.000 0.445 13 V N -1.223 118.706 119.914 0.025 0.000 3.307 13 V HA 0.478 4.538 4.120 -0.101 0.000 0.283 13 V C -0.805 175.304 176.094 0.025 0.000 1.618 13 V CA -1.342 60.972 62.300 0.023 0.000 1.052 13 V CB 1.176 33.013 31.823 0.024 0.000 1.200 13 V HN 0.818 nan 8.190 nan 0.000 0.468 14 K N -0.178 120.235 120.400 0.021 0.000 2.149 14 K HA 0.623 4.883 4.320 -0.101 0.000 0.245 14 K C -0.575 176.041 176.600 0.027 0.000 1.024 14 K CA 0.093 56.393 56.287 0.021 0.000 0.899 14 K CB 0.881 33.390 32.500 0.016 0.000 1.038 14 K HN 0.911 nan 8.250 nan 0.000 0.496 15 c N 1.397 120.013 118.600 0.027 0.000 2.399 15 c HA 0.214 4.723 4.570 -0.101 0.000 0.348 15 c C 1.079 175.183 174.090 0.024 0.000 1.183 15 c CA -0.521 55.827 56.329 0.032 0.000 2.023 15 c CB 1.177 43.709 42.510 0.037 0.000 2.361 15 c HN 0.981 nan 8.230 nan 0.000 0.521 16 D N -0.559 119.857 120.400 0.026 0.000 2.324 16 D HA 0.020 4.599 4.640 -0.101 0.000 0.212 16 D C 0.788 177.094 176.300 0.009 0.000 0.984 16 D CA 0.523 54.532 54.000 0.016 0.000 0.885 16 D CB 0.139 40.947 40.800 0.014 0.000 0.996 16 D HN 0.754 nan 8.370 nan 0.000 0.505 17 E N -0.886 119.323 120.200 0.015 0.000 3.065 17 E HA -0.295 3.995 4.350 -0.101 0.000 0.277 17 E C -0.083 176.510 176.600 -0.011 0.000 1.008 17 E CA 0.752 57.155 56.400 0.004 0.000 0.864 17 E CB -1.702 28.000 29.700 0.004 0.000 1.439 17 E HN 0.446 nan 8.360 nan 0.000 0.445 18 N N -0.894 117.796 118.700 -0.017 0.000 1.973 18 N HA -0.035 4.645 4.740 -0.101 0.000 0.219 18 N C -0.838 174.636 175.510 -0.059 0.000 1.447 18 N CA 0.309 53.337 53.050 -0.038 0.000 0.825 18 N CB 0.775 39.242 38.487 -0.033 0.000 1.096 18 N HN 0.055 nan 8.380 nan 0.000 0.595 19 S N 0.969 116.641 115.700 -0.046 0.000 2.565 19 S HA 0.332 4.741 4.470 -0.101 0.000 0.276 19 S C -1.749 172.763 174.600 -0.146 0.000 1.326 19 S CA -0.953 57.187 58.200 -0.099 0.000 1.045 19 S CB 0.920 64.097 63.200 -0.038 0.000 0.918 19 S HN 0.037 nan 8.310 nan 0.000 0.505 20 P HA 0.208 nan 4.420 nan 0.000 0.251 20 P C -1.039 175.921 177.300 -0.567 0.000 1.223 20 P CA 0.377 63.170 63.100 -0.511 0.000 0.796 20 P CB -0.013 31.211 31.700 -0.794 0.000 1.068 21 Y N -0.342 119.853 120.300 -0.175 0.000 2.409 21 Y HA 0.457 4.944 4.550 -0.105 0.000 0.339 21 Y C 1.148 176.697 175.900 -0.584 0.000 1.033 21 Y CA -1.529 56.339 58.100 -0.386 0.000 1.094 21 Y CB 1.371 39.687 38.460 -0.241 0.000 1.210 21 Y HN -0.394 nan 8.280 nan 0.000 0.456 22 R N 0.690 120.754 120.500 -0.727 0.000 2.784 22 R HA 0.172 4.452 4.340 -0.101 0.000 0.266 22 R C 0.251 176.413 176.300 -0.229 0.000 1.044 22 R CA -0.045 55.649 56.100 -0.677 0.000 1.151 22 R CB 0.238 30.208 30.300 -0.551 0.000 1.037 22 R HN 0.758 nan 8.270 nan 0.000 0.478 23 T N -1.523 112.968 114.554 -0.106 0.000 2.847 23 T HA 0.201 4.490 4.350 -0.101 0.000 0.279 23 T C 1.461 176.169 174.700 0.013 0.000 0.984 23 T CA -0.920 61.173 62.100 -0.012 0.000 0.988 23 T CB 0.684 69.573 68.868 0.033 0.000 1.040 23 T HN 0.289 nan 8.240 nan 0.000 0.528 24 I N 1.366 121.963 120.570 0.045 0.000 2.439 24 I HA -0.072 4.038 4.170 -0.101 0.000 0.251 24 I C 2.761 178.942 176.117 0.107 0.000 1.139 24 I CA 1.643 62.990 61.300 0.077 0.000 1.438 24 I CB -1.534 36.516 38.000 0.084 0.000 1.085 24 I HN 0.963 nan 8.210 nan 0.000 0.427 25 T N -2.324 112.291 114.554 0.102 0.000 3.088 25 T HA 0.204 4.494 4.350 -0.101 0.000 0.259 25 T C 1.629 176.429 174.700 0.168 0.000 1.122 25 T CA 0.811 62.984 62.100 0.121 0.000 1.095 25 T CB 0.278 69.204 68.868 0.095 0.000 0.930 25 T HN 0.443 nan 8.240 nan 0.000 0.508 26 G N 1.052 109.961 108.800 0.182 0.000 2.195 26 G HA2 -0.205 3.695 3.960 -0.101 0.000 0.246 26 G HA3 -0.205 3.695 3.960 -0.101 0.000 0.246 26 G C -0.175 174.892 174.900 0.279 0.000 0.984 26 G CA 0.023 45.302 45.100 0.299 0.000 0.633 26 G HN 0.587 nan 8.290 nan 0.000 0.525 27 D N -0.484 120.024 120.400 0.181 0.000 2.378 27 D HA 0.318 4.897 4.640 -0.101 0.000 0.238 27 D C 1.534 177.912 176.300 0.130 0.000 1.180 27 D CA 1.169 55.260 54.000 0.152 0.000 0.895 27 D CB 0.822 41.684 40.800 0.104 0.000 1.192 27 D HN 0.780 nan 8.370 nan 0.000 0.438 28 c N 0.860 119.533 118.600 0.121 0.000 4.400 28 c HA -0.167 4.342 4.570 -0.101 0.000 0.275 28 c C 1.978 176.131 174.090 0.105 0.000 1.391 28 c CA 0.068 56.458 56.329 0.102 0.000 1.816 28 c CB -2.648 39.914 42.510 0.087 0.000 1.404 28 c HN 0.764 nan 8.230 nan 0.000 0.754 29 N N 1.849 120.609 118.700 0.101 0.000 2.106 29 N HA -0.106 4.574 4.740 -0.101 0.000 0.188 29 N C 0.459 175.964 175.510 -0.008 0.000 1.029 29 N CA 1.363 54.405 53.050 -0.013 0.000 0.848 29 N CB -0.107 38.191 38.487 -0.315 0.000 1.007 29 N HN 0.801 nan 8.380 nan 0.000 0.423 30 N N 1.006 119.784 118.700 0.130 0.000 2.414 30 N HA 0.089 4.768 4.740 -0.101 0.000 0.256 30 N C 0.707 176.285 175.510 0.114 0.000 1.029 30 N CA -0.122 53.032 53.050 0.172 0.000 0.948 30 N CB 0.891 39.513 38.487 0.226 0.000 1.102 30 N HN 0.157 nan 8.380 nan 0.000 0.496 31 R N 2.454 123.009 120.500 0.092 0.000 2.066 31 R HA 0.028 4.308 4.340 -0.101 0.000 0.232 31 R C 1.682 178.015 176.300 0.055 0.000 1.131 31 R CA 1.210 57.345 56.100 0.060 0.000 0.955 31 R CB 0.158 30.484 30.300 0.043 0.000 0.851 31 R HN 0.548 nan 8.270 nan 0.000 0.432 32 R N -0.472 120.063 120.500 0.058 0.000 2.148 32 R HA 0.039 4.318 4.340 -0.101 0.000 0.223 32 R C 0.718 177.039 176.300 0.036 0.000 1.088 32 R CA 0.706 56.828 56.100 0.037 0.000 0.985 32 R CB 0.073 30.390 30.300 0.027 0.000 0.880 32 R HN -0.058 nan 8.270 nan 0.000 0.451 33 S N 0.354 116.089 115.700 0.058 0.000 2.216 33 S HA 0.289 4.699 4.470 -0.101 0.000 0.156 33 S C -2.133 172.519 174.600 0.087 0.000 1.665 33 S CA -1.444 56.791 58.200 0.058 0.000 1.262 33 S CB 1.126 64.359 63.200 0.054 0.000 1.207 33 S HN -0.130 nan 8.310 nan 0.000 0.427 34 P HA -0.142 nan 4.420 nan 0.000 0.218 34 P C 0.909 178.275 177.300 0.110 0.000 1.150 34 P CA 1.235 64.389 63.100 0.089 0.000 0.841 34 P CB 0.224 31.962 31.700 0.063 0.000 0.784 35 A N -2.194 120.685 122.820 0.098 0.000 2.308 35 A HA 0.124 4.384 4.320 -0.101 0.000 0.217 35 A C 0.682 178.342 177.584 0.127 0.000 1.216 35 A CA -0.205 51.894 52.037 0.104 0.000 0.864 35 A CB -0.731 18.310 19.000 0.069 0.000 0.902 35 A HN 0.071 nan 8.150 nan 0.000 0.499 36 L N 0.850 122.163 121.223 0.149 0.000 2.562 36 L HA 0.419 4.699 4.340 -0.101 0.000 0.271 36 L C 1.379 178.370 176.870 0.201 0.000 1.167 36 L CA 1.636 56.569 54.840 0.155 0.000 0.917 36 L CB -0.078 42.084 42.059 0.170 0.000 1.187 36 L HN 0.658 nan 8.230 nan 0.000 0.482 37 G N 2.850 111.676 108.800 0.044 0.000 2.195 37 G HA2 -0.209 3.690 3.960 -0.101 0.000 0.246 37 G HA3 -0.209 3.690 3.960 -0.101 0.000 0.246 37 G C 0.526 175.423 174.900 -0.005 0.000 0.984 37 G CA 0.161 45.146 45.100 -0.191 0.000 0.633 37 G HN 1.102 nan 8.290 nan 0.000 0.525 38 A N 0.344 123.248 122.820 0.140 0.000 2.406 38 A HA 0.799 5.058 4.320 -0.101 0.000 0.243 38 A C 1.119 178.759 177.584 0.093 0.000 1.082 38 A CA 1.141 53.273 52.037 0.158 0.000 0.786 38 A CB 0.286 19.369 19.000 0.139 0.000 1.029 38 A HN 2.110 nan 8.150 nan 0.000 0.495 39 A N 1.121 124.005 122.820 0.106 0.000 2.346 39 A HA 0.479 4.739 4.320 -0.101 0.000 0.252 39 A C 0.796 178.411 177.584 0.052 0.000 1.089 39 A CA 0.061 52.148 52.037 0.083 0.000 0.797 39 A CB -0.189 18.875 19.000 0.107 0.000 1.047 39 A HN 1.253 nan 8.150 nan 0.000 0.494 40 N N -0.419 118.299 118.700 0.030 0.000 2.758 40 N HA -0.132 4.548 4.740 -0.101 0.000 0.248 40 N C -0.249 175.252 175.510 -0.015 0.000 1.076 40 N CA 1.482 54.529 53.050 -0.005 0.000 0.696 40 N CB -0.777 37.706 38.487 -0.007 0.000 0.979 40 N HN 0.760 nan 8.380 nan 0.000 0.550 41 R N -0.645 119.851 120.500 -0.007 0.000 2.885 41 R HA 0.758 5.037 4.340 -0.101 0.000 0.260 41 R C -0.253 176.043 176.300 -0.007 0.000 1.107 41 R CA -0.457 55.640 56.100 -0.005 0.000 0.978 41 R CB 0.932 31.241 30.300 0.014 0.000 1.227 41 R HN 0.116 nan 8.270 nan 0.000 0.473 42 A N 1.232 124.055 122.820 0.004 0.000 2.445 42 A HA 0.310 4.570 4.320 -0.101 0.000 0.242 42 A C -0.027 177.565 177.584 0.013 0.000 1.075 42 A CA -0.223 51.822 52.037 0.014 0.000 0.777 42 A CB 0.046 19.067 19.000 0.036 0.000 1.013 42 A HN 0.492 nan 8.150 nan 0.000 0.493 43 L N 1.269 122.499 121.223 0.012 0.000 2.439 43 L HA 0.403 4.683 4.340 -0.101 0.000 0.269 43 L C 1.070 177.939 176.870 -0.001 0.000 1.179 43 L CA -0.162 54.675 54.840 -0.004 0.000 0.828 43 L CB 0.747 42.812 42.059 0.011 0.000 1.106 43 L HN 0.825 nan 8.230 nan 0.000 0.467 44 A N 3.729 126.528 122.820 -0.035 0.000 2.386 44 A HA 0.444 4.704 4.320 -0.101 0.000 0.248 44 A C -0.148 177.418 177.584 -0.029 0.000 1.082 44 A CA -0.396 51.645 52.037 0.007 0.000 0.789 44 A CB 0.273 19.301 19.000 0.047 0.000 1.025 44 A HN 0.608 nan 8.150 nan 0.000 0.490 45 R N 1.130 121.687 120.500 0.093 0.000 2.295 45 R HA 0.161 4.441 4.340 -0.101 0.000 0.324 45 R C -0.385 176.099 176.300 0.308 0.000 0.968 45 R CA -0.379 55.802 56.100 0.135 0.000 0.837 45 R CB 0.890 31.277 30.300 0.146 0.000 1.133 45 R HN 0.954 nan 8.270 nan 0.000 0.450 46 W N 2.256 123.635 121.300 0.132 0.000 2.812 46 W HA 0.249 4.848 4.660 -0.102 0.000 0.263 46 W C 0.326 176.848 176.519 0.005 0.000 1.284 46 W CA 0.170 57.572 57.345 0.095 0.000 1.430 46 W CB 0.150 29.639 29.460 0.049 0.000 1.088 46 W HN 0.263 nan 8.180 nan 0.000 0.623 47 L N -0.397 120.940 121.223 0.190 0.000 2.415 47 L HA 0.368 4.647 4.340 -0.101 0.000 0.256 47 L C -2.222 174.662 176.870 0.024 0.000 1.010 47 L CA -2.026 52.804 54.840 -0.018 0.000 0.826 47 L CB 2.145 43.987 42.059 -0.363 0.000 1.405 47 L HN -0.502 nan 8.230 nan 0.000 0.410 48 P HA 0.151 nan 4.420 nan 0.000 0.269 48 P C -0.759 176.543 177.300 0.003 0.000 1.215 48 P CA -0.243 62.869 63.100 0.020 0.000 0.780 48 P CB 0.618 32.324 31.700 0.009 0.000 0.898 49 A N 2.168 125.004 122.820 0.026 0.000 2.406 49 A HA 0.178 4.438 4.320 -0.101 0.000 0.243 49 A C 0.010 177.533 177.584 -0.101 0.000 1.082 49 A CA 0.022 52.029 52.037 -0.051 0.000 0.786 49 A CB -0.078 18.930 19.000 0.013 0.000 1.029 49 A HN 0.581 nan 8.150 nan 0.000 0.495 50 E N 0.139 120.191 120.200 -0.246 0.000 2.235 50 E HA 0.429 4.719 4.350 -0.101 0.000 0.252 50 E C -1.851 174.573 176.600 -0.294 0.000 0.886 50 E CA 0.064 56.405 56.400 -0.098 0.000 0.767 50 E CB 1.291 31.036 29.700 0.075 0.000 1.205 50 E HN 0.641 nan 8.360 nan 0.000 0.421 51 Y N 0.560 120.784 120.300 -0.127 0.000 2.549 51 Y HA 0.142 4.631 4.550 -0.101 0.000 0.339 51 Y C 1.592 177.028 175.900 -0.774 0.000 1.053 51 Y CA -0.692 57.153 58.100 -0.425 0.000 1.105 51 Y CB 1.543 39.814 38.460 -0.316 0.000 1.258 51 Y HN 0.505 nan 8.280 nan 0.000 0.478 52 E N 0.790 120.419 120.200 -0.950 0.000 2.097 52 E HA -0.259 4.031 4.350 -0.101 0.000 0.196 52 E C 0.524 176.936 176.600 -0.313 0.000 1.000 52 E CA 1.974 57.849 56.400 -0.875 0.000 0.804 52 E CB 0.048 29.443 29.700 -0.509 0.000 0.740 52 E HN 0.829 nan 8.360 nan 0.000 0.454 53 D N -1.989 118.265 120.400 -0.242 0.000 2.424 53 D HA 0.111 4.691 4.640 -0.101 0.000 0.220 53 D C 1.107 177.339 176.300 -0.114 0.000 1.150 53 D CA 0.573 54.480 54.000 -0.155 0.000 0.831 53 D CB 0.376 41.064 40.800 -0.186 0.000 0.981 53 D HN 0.327 nan 8.370 nan 0.000 0.500 54 G N 0.376 109.133 108.800 -0.070 0.000 2.257 54 G HA2 -0.363 3.537 3.960 -0.101 0.000 0.267 54 G HA3 -0.363 3.537 3.960 -0.101 0.000 0.267 54 G C 0.818 175.729 174.900 0.019 0.000 0.984 54 G CA 0.898 45.999 45.100 0.003 0.000 0.626 54 G HN 0.454 nan 8.290 nan 0.000 0.540 55 L N -2.083 119.070 121.223 -0.117 0.000 2.588 55 L HA 0.657 4.937 4.340 -0.101 0.000 0.194 55 L C 2.484 178.948 176.870 -0.678 0.000 1.070 55 L CA 1.205 55.899 54.840 -0.244 0.000 0.852 55 L CB -0.034 41.872 42.059 -0.255 0.000 1.199 55 L HN 0.417 nan 8.230 nan 0.000 0.486 56 A N -1.589 120.696 122.820 -0.892 0.000 2.167 56 A HA 0.307 4.566 4.320 -0.101 0.000 0.184 56 A C 0.043 176.957 177.584 -1.117 0.000 1.675 56 A CA -0.188 51.045 52.037 -1.340 0.000 1.215 56 A CB 0.329 18.812 19.000 -0.862 0.000 1.427 56 A HN 0.038 nan 8.150 nan 0.000 0.457 57 L N 2.022 122.799 121.223 -0.744 0.000 2.410 57 L HA 0.360 4.640 4.340 -0.101 0.000 0.273 57 L C -2.504 174.150 176.870 -0.361 0.000 1.152 57 L CA -1.851 52.556 54.840 -0.722 0.000 0.855 57 L CB 0.016 41.638 42.059 -0.729 0.000 1.129 57 L HN 0.053 nan 8.230 nan 0.000 0.463 58 P HA 0.154 nan 4.420 nan 0.000 0.274 58 P C -0.612 176.658 177.300 -0.049 0.000 1.237 58 P CA -0.344 62.692 63.100 -0.107 0.000 0.793 58 P CB 0.410 31.975 31.700 -0.224 0.000 0.977 59 F N 0.849 120.885 119.950 0.144 0.000 2.484 59 F HA 0.363 4.830 4.527 -0.101 0.000 0.360 59 F C 1.835 177.786 175.800 0.251 0.000 1.101 59 F CA 1.491 59.591 58.000 0.167 0.000 1.251 59 F CB 0.167 39.245 39.000 0.129 0.000 1.132 59 F HN 0.648 nan 8.300 nan 0.000 0.570 60 G N 2.915 111.990 108.800 0.459 0.000 2.176 60 G HA2 -0.288 3.612 3.960 -0.101 0.000 0.232 60 G HA3 -0.288 3.612 3.960 -0.101 0.000 0.232 60 G C 0.779 175.933 174.900 0.423 0.000 0.986 60 G CA 0.177 45.501 45.100 0.374 0.000 0.643 60 G HN 0.803 nan 8.290 nan 0.000 0.522 61 W N 1.229 122.633 121.300 0.173 0.000 2.481 61 W HA 0.232 4.832 4.660 -0.101 0.000 0.293 61 W C -0.070 176.488 176.519 0.065 0.000 1.201 61 W CA 1.696 59.090 57.345 0.082 0.000 1.328 61 W CB 0.159 29.502 29.460 -0.195 0.000 1.112 61 W HN 0.166 nan 8.180 nan 0.000 0.546 62 T N 2.867 117.608 114.554 0.312 0.000 2.929 62 T HA 0.121 4.411 4.350 -0.101 0.000 0.331 62 T C 0.582 175.361 174.700 0.132 0.000 1.120 62 T CA -0.251 61.958 62.100 0.182 0.000 0.973 62 T CB 1.283 70.275 68.868 0.207 0.000 1.036 62 T HN -0.091 nan 8.240 nan 0.000 0.502 63 Q N 1.765 121.607 119.800 0.070 0.000 2.458 63 Q HA -0.200 4.079 4.340 -0.101 0.000 0.215 63 Q C 2.333 178.374 176.000 0.067 0.000 0.989 63 Q CA 1.339 57.179 55.803 0.063 0.000 0.895 63 Q CB -0.201 28.549 28.738 0.019 0.000 0.934 63 Q HN 0.701 nan 8.270 nan 0.000 0.475 64 R N -0.536 120.006 120.500 0.069 0.000 2.105 64 R HA 0.125 4.404 4.340 -0.101 0.000 0.214 64 R C 0.197 176.544 176.300 0.079 0.000 1.091 64 R CA 0.120 56.257 56.100 0.060 0.000 1.007 64 R CB -0.023 30.304 30.300 0.045 0.000 0.912 64 R HN -0.103 nan 8.270 nan 0.000 0.450 65 K N 2.808 123.271 120.400 0.105 0.000 2.451 65 K HA 0.021 4.280 4.320 -0.101 0.000 0.280 65 K C 0.042 176.746 176.600 0.173 0.000 1.020 65 K CA 0.644 57.010 56.287 0.132 0.000 1.008 65 K CB 1.296 33.887 32.500 0.150 0.000 0.917 65 K HN 0.392 nan 8.250 nan 0.000 0.478 66 T N 0.045 114.684 114.554 0.141 0.000 2.923 66 T HA 0.363 4.652 4.350 -0.101 0.000 0.281 66 T C -0.032 174.731 174.700 0.105 0.000 0.995 66 T CA -1.004 61.166 62.100 0.117 0.000 0.985 66 T CB 1.620 70.506 68.868 0.030 0.000 1.114 66 T HN 0.558 nan 8.240 nan 0.000 0.548 67 R N 1.097 121.574 120.500 -0.037 0.000 2.320 67 R HA 0.286 4.566 4.340 -0.101 0.000 0.319 67 R C -0.379 175.850 176.300 -0.117 0.000 0.969 67 R CA -0.363 55.556 56.100 -0.303 0.000 0.857 67 R CB -0.183 29.695 30.300 -0.704 0.000 1.160 67 R HN 0.837 nan 8.270 nan 0.000 0.491 68 N N 3.053 121.700 118.700 -0.088 0.000 2.747 68 N HA -0.195 4.484 4.740 -0.101 0.000 0.249 68 N C 0.502 175.921 175.510 -0.152 0.000 1.107 68 N CA 1.503 54.521 53.050 -0.053 0.000 0.707 68 N CB -1.048 37.449 38.487 0.018 0.000 1.054 68 N HN 1.065 nan 8.380 nan 0.000 0.555 69 G N -2.037 106.636 108.800 -0.211 0.000 2.175 69 G HA2 -0.294 3.605 3.960 -0.101 0.000 0.244 69 G HA3 -0.294 3.605 3.960 -0.101 0.000 0.244 69 G C -0.063 174.456 174.900 -0.635 0.000 0.982 69 G CA 0.425 45.252 45.100 -0.454 0.000 0.641 69 G HN 0.401 nan 8.290 nan 0.000 0.527 70 F N -0.293 119.655 119.950 -0.004 0.000 2.593 70 F HA 0.768 5.234 4.527 -0.101 0.000 0.320 70 F C 0.763 176.564 175.800 0.002 0.000 1.060 70 F CA -1.301 56.700 58.000 0.001 0.000 0.940 70 F CB 1.260 40.262 39.000 0.003 0.000 1.268 70 F HN -0.083 nan 8.300 nan 0.000 0.475 71 R N 0.669 121.304 120.500 0.225 0.000 2.539 71 R HA 0.519 4.798 4.340 -0.101 0.000 0.275 71 R C -1.043 175.313 176.300 0.093 0.000 1.077 71 R CA -0.622 55.555 56.100 0.128 0.000 1.097 71 R CB 0.979 31.332 30.300 0.088 0.000 1.018 71 R HN 0.491 nan 8.270 nan 0.000 0.483 72 V N 1.337 121.297 119.914 0.076 0.000 2.432 72 V HA 0.423 4.483 4.120 -0.101 0.000 0.275 72 V C -1.788 174.276 176.094 -0.051 0.000 1.043 72 V CA -2.225 60.090 62.300 0.025 0.000 0.925 72 V CB 0.808 32.693 31.823 0.103 0.000 0.985 72 V HN 0.720 nan 8.190 nan 0.000 0.466 73 P HA 0.183 nan 4.420 nan 0.000 0.267 73 P C -0.089 177.128 177.300 -0.138 0.000 1.200 73 P CA -0.340 62.630 63.100 -0.217 0.000 0.772 73 P CB 0.859 32.314 31.700 -0.409 0.000 0.855 74 L N 1.856 123.022 121.223 -0.094 0.000 2.525 74 L HA -0.026 4.253 4.340 -0.101 0.000 0.278 74 L C 2.071 178.902 176.870 -0.064 0.000 1.218 74 L CA -0.168 54.626 54.840 -0.077 0.000 0.878 74 L CB 0.014 42.035 42.059 -0.064 0.000 1.127 74 L HN 0.494 nan 8.230 nan 0.000 0.492 75 A N 3.470 126.249 122.820 -0.069 0.000 1.940 75 A HA -0.233 4.026 4.320 -0.101 0.000 0.219 75 A C 2.297 179.889 177.584 0.013 0.000 1.176 75 A CA 1.902 53.925 52.037 -0.023 0.000 0.631 75 A CB -0.391 18.559 19.000 -0.083 0.000 0.814 75 A HN 0.868 nan 8.150 nan 0.000 0.446 76 R N 0.172 120.671 120.500 -0.001 0.000 2.115 76 R HA -0.094 4.185 4.340 -0.101 0.000 0.230 76 R C 1.971 178.300 176.300 0.049 0.000 1.111 76 R CA 1.938 58.070 56.100 0.053 0.000 0.976 76 R CB -0.522 29.846 30.300 0.113 0.000 0.870 76 R HN 0.693 nan 8.270 nan 0.000 0.445 77 E N -0.650 119.561 120.200 0.019 0.000 2.051 77 E HA -0.140 4.150 4.350 -0.101 0.000 0.192 77 E C 1.724 178.335 176.600 0.019 0.000 0.991 77 E CA 1.561 57.964 56.400 0.006 0.000 0.799 77 E CB 0.039 29.724 29.700 -0.026 0.000 0.748 77 E HN 0.187 nan 8.360 nan 0.000 0.449 78 V N 0.588 120.516 119.914 0.022 0.000 2.332 78 V HA -0.287 3.773 4.120 -0.101 0.000 0.248 78 V C 2.464 178.630 176.094 0.119 0.000 1.055 78 V CA 1.959 64.303 62.300 0.073 0.000 1.038 78 V CB -0.708 31.191 31.823 0.128 0.000 0.651 78 V HN 0.334 nan 8.190 nan 0.000 0.450 79 S N 0.345 116.123 115.700 0.130 0.000 2.359 79 S HA -0.231 4.179 4.470 -0.101 0.000 0.224 79 S C 1.896 176.563 174.600 0.111 0.000 1.035 79 S CA 2.053 60.345 58.200 0.154 0.000 1.018 79 S CB -0.434 62.849 63.200 0.138 0.000 0.876 79 S HN 0.672 nan 8.310 nan 0.000 0.448 80 N N 1.095 119.838 118.700 0.072 0.000 2.142 80 N HA 0.025 4.704 4.740 -0.101 0.000 0.186 80 N C 1.598 177.137 175.510 0.047 0.000 1.023 80 N CA 1.067 54.144 53.050 0.045 0.000 0.852 80 N CB -0.244 38.254 38.487 0.019 0.000 0.998 80 N HN 0.516 nan 8.380 nan 0.000 0.424 81 K N -0.527 119.901 120.400 0.046 0.000 2.361 81 K HA 0.215 4.475 4.320 -0.101 0.000 0.196 81 K C 1.017 177.650 176.600 0.055 0.000 1.039 81 K CA 0.457 56.768 56.287 0.040 0.000 1.001 81 K CB 0.651 33.164 32.500 0.022 0.000 0.795 81 K HN 0.124 nan 8.250 nan 0.000 0.495 82 I N -1.447 119.169 120.570 0.077 0.000 4.578 82 I HA -0.098 4.011 4.170 -0.101 0.000 0.312 82 I C 1.475 177.653 176.117 0.103 0.000 1.224 82 I CA 0.194 61.540 61.300 0.078 0.000 1.318 82 I CB 0.882 38.925 38.000 0.072 0.000 1.388 82 I HN -0.238 nan 8.210 nan 0.000 0.461 83 V N 0.884 120.881 119.914 0.138 0.000 2.488 83 V HA 0.113 4.173 4.120 -0.101 0.000 0.246 83 V C 1.496 177.729 176.094 0.231 0.000 1.046 83 V CA 1.077 63.488 62.300 0.185 0.000 1.053 83 V CB -1.287 30.686 31.823 0.250 0.000 0.679 83 V HN 0.376 nan 8.190 nan 0.000 0.458 84 G N -0.438 108.468 108.800 0.177 0.000 2.599 84 G HA2 0.455 4.355 3.960 -0.101 0.000 0.264 84 G HA3 0.455 4.355 3.960 -0.101 0.000 0.264 84 G C -0.862 174.186 174.900 0.246 0.000 1.200 84 G CA 0.197 45.385 45.100 0.147 0.000 0.896 84 G HN 0.590 nan 8.290 nan 0.000 0.536 85 Y N -2.465 117.870 120.300 0.058 0.000 2.687 85 Y HA 0.467 4.957 4.550 -0.101 0.000 0.338 85 Y C -0.354 175.575 175.900 0.049 0.000 1.189 85 Y CA -1.168 56.961 58.100 0.049 0.000 1.097 85 Y CB 0.662 39.154 38.460 0.052 0.000 1.342 85 Y HN 0.286 nan 8.280 nan 0.000 0.461 86 L N 0.197 121.489 121.223 0.116 0.000 2.500 86 L HA 0.235 4.515 4.340 -0.101 0.000 0.219 86 L C -0.037 176.904 176.870 0.119 0.000 1.057 86 L CA 0.317 55.172 54.840 0.025 0.000 0.854 86 L CB 0.327 42.409 42.059 0.039 0.000 1.078 86 L HN 0.652 nan 8.230 nan 0.000 0.480 87 D N 0.811 121.363 120.400 0.254 0.000 2.380 87 D HA 0.039 4.619 4.640 -0.101 0.000 0.230 87 D C 0.910 177.392 176.300 0.303 0.000 1.154 87 D CA 0.085 54.216 54.000 0.218 0.000 0.859 87 D CB 1.026 41.912 40.800 0.144 0.000 1.045 87 D HN 0.001 nan 8.370 nan 0.000 0.495 88 E N 2.352 122.705 120.200 0.255 0.000 2.358 88 E HA -0.074 4.215 4.350 -0.101 0.000 0.195 88 E C 0.371 177.063 176.600 0.154 0.000 1.010 88 E CA 0.229 56.787 56.400 0.264 0.000 0.856 88 E CB 0.137 29.958 29.700 0.203 0.000 0.795 88 E HN 0.646 nan 8.360 nan 0.000 0.504 89 E N 0.153 120.421 120.200 0.114 0.000 2.415 89 E HA 0.094 4.384 4.350 -0.101 0.000 0.262 89 E C 0.634 177.270 176.600 0.059 0.000 1.038 89 E CA 0.687 57.134 56.400 0.078 0.000 0.921 89 E CB 0.291 30.030 29.700 0.064 0.000 0.950 89 E HN 0.249 nan 8.360 nan 0.000 0.438 90 G N 2.630 111.459 108.800 0.049 0.000 2.166 90 G HA2 -0.289 3.610 3.960 -0.101 0.000 0.260 90 G HA3 -0.289 3.610 3.960 -0.101 0.000 0.260 90 G C 0.616 175.528 174.900 0.020 0.000 0.986 90 G CA 0.406 45.525 45.100 0.032 0.000 0.683 90 G HN 0.513 nan 8.290 nan 0.000 0.527 91 V N 0.437 120.370 119.914 0.031 0.000 3.650 91 V HA 0.408 4.468 4.120 -0.101 0.000 0.271 91 V C 1.428 177.550 176.094 0.048 0.000 1.281 91 V CA 0.399 62.707 62.300 0.013 0.000 1.120 91 V CB -0.070 31.754 31.823 0.003 0.000 0.856 91 V HN 0.395 nan 8.190 nan 0.000 0.443 92 L N 1.148 122.409 121.223 0.064 0.000 2.397 92 L HA 0.294 4.573 4.340 -0.101 0.000 0.271 92 L C 0.297 177.208 176.870 0.067 0.000 1.148 92 L CA -0.104 54.784 54.840 0.080 0.000 0.825 92 L CB 0.234 42.343 42.059 0.084 0.000 1.117 92 L HN 0.090 nan 8.230 nan 0.000 0.456 93 D N 2.500 122.949 120.400 0.082 0.000 2.358 93 D HA -0.033 4.546 4.640 -0.101 0.000 0.258 93 D C 0.754 177.080 176.300 0.043 0.000 1.223 93 D CA -0.017 54.019 54.000 0.060 0.000 0.886 93 D CB 1.214 42.061 40.800 0.079 0.000 1.120 93 D HN 0.435 nan 8.370 nan 0.000 0.482 94 Q N 2.449 122.264 119.800 0.025 0.000 2.437 94 Q HA -0.103 4.176 4.340 -0.101 0.000 0.210 94 Q C 0.431 176.435 176.000 0.007 0.000 0.972 94 Q CA 0.711 56.527 55.803 0.022 0.000 0.903 94 Q CB 0.060 28.807 28.738 0.016 0.000 0.967 94 Q HN 0.396 nan 8.270 nan 0.000 0.486 95 N N 0.311 119.000 118.700 -0.018 0.000 2.598 95 N HA 0.075 4.755 4.740 -0.101 0.000 0.295 95 N C -1.391 174.063 175.510 -0.095 0.000 1.729 95 N CA -0.070 52.953 53.050 -0.045 0.000 0.877 95 N CB 0.521 38.972 38.487 -0.060 0.000 1.405 95 N HN -0.169 nan 8.380 nan 0.000 0.491 96 R N 0.308 120.773 120.500 -0.058 0.000 2.508 96 R HA 0.274 4.554 4.340 -0.101 0.000 0.283 96 R C -0.557 175.799 176.300 0.092 0.000 1.120 96 R CA -0.460 55.587 56.100 -0.088 0.000 0.958 96 R CB 0.990 31.128 30.300 -0.271 0.000 1.215 96 R HN 0.345 nan 8.270 nan 0.000 0.427 97 S N 1.883 117.675 115.700 0.153 0.000 2.624 97 S HA 0.236 4.645 4.470 -0.101 0.000 0.263 97 S C 1.417 176.168 174.600 0.252 0.000 1.287 97 S CA -0.775 57.532 58.200 0.180 0.000 0.990 97 S CB 0.825 64.109 63.200 0.139 0.000 0.950 97 S HN 0.660 nan 8.310 nan 0.000 0.561 98 L N 0.216 121.557 121.223 0.197 0.000 2.187 98 L HA -0.061 4.219 4.340 -0.101 0.000 0.213 98 L C 2.185 179.172 176.870 0.195 0.000 1.100 98 L CA 1.092 56.045 54.840 0.188 0.000 0.765 98 L CB -0.544 41.598 42.059 0.137 0.000 0.904 98 L HN 0.815 nan 8.230 nan 0.000 0.437 99 L N -1.028 120.302 121.223 0.179 0.000 2.275 99 L HA -0.206 4.074 4.340 -0.101 0.000 0.215 99 L C 2.107 179.207 176.870 0.382 0.000 1.119 99 L CA 1.432 56.348 54.840 0.126 0.000 0.790 99 L CB -0.643 41.334 42.059 -0.136 0.000 0.919 99 L HN 0.167 nan 8.230 nan 0.000 0.443 100 F N -0.215 119.955 119.950 0.367 0.000 2.102 100 F HA -0.252 4.213 4.527 -0.104 0.000 0.298 100 F C 2.417 178.423 175.800 0.342 0.000 1.105 100 F CA 2.242 60.507 58.000 0.442 0.000 1.239 100 F CB -0.442 38.755 39.000 0.329 0.000 0.991 100 F HN 0.222 nan 8.300 nan 0.000 0.474 101 M N 0.379 120.079 119.600 0.167 0.000 2.067 101 M HA -0.229 4.190 4.480 -0.101 0.000 0.260 101 M C 2.205 178.475 176.300 -0.050 0.000 1.069 101 M CA 2.017 57.316 55.300 -0.002 0.000 1.117 101 M CB -1.073 31.591 32.600 0.105 0.000 1.334 101 M HN 0.352 nan 8.290 nan 0.000 0.407 102 Q N 0.065 119.883 119.800 0.030 0.000 2.096 102 Q HA -0.221 4.059 4.340 -0.101 0.000 0.204 102 Q C 1.933 177.901 176.000 -0.054 0.000 0.982 102 Q CA 2.432 58.226 55.803 -0.015 0.000 0.850 102 Q CB -0.961 27.800 28.738 0.038 0.000 0.901 102 Q HN 0.725 nan 8.270 nan 0.000 0.422 103 W N 0.059 121.246 121.300 -0.188 0.000 2.355 103 W HA -0.138 4.462 4.660 -0.100 0.000 0.309 103 W C 1.730 177.968 176.519 -0.469 0.000 1.206 103 W CA 1.495 58.671 57.345 -0.281 0.000 1.284 103 W CB -0.563 28.768 29.460 -0.214 0.000 1.145 103 W HN 0.332 nan 8.180 nan 0.000 0.502 104 G N 0.517 109.011 108.800 -0.510 0.000 2.529 104 G HA2 -0.429 3.470 3.960 -0.101 0.000 0.219 104 G HA3 -0.429 3.470 3.960 -0.101 0.000 0.219 104 G C 1.407 175.904 174.900 -0.671 0.000 1.177 104 G CA 1.425 46.220 45.100 -0.508 0.000 0.773 104 G HN 0.460 nan 8.290 nan 0.000 0.573 105 Q N -0.229 119.220 119.800 -0.585 0.000 2.124 105 Q HA -0.038 4.241 4.340 -0.101 0.000 0.202 105 Q C 2.580 178.137 176.000 -0.738 0.000 0.977 105 Q CA 0.985 56.386 55.803 -0.671 0.000 0.850 105 Q CB -0.190 28.236 28.738 -0.520 0.000 0.901 105 Q HN 0.602 nan 8.270 nan 0.000 0.429 106 I N -0.247 119.934 120.570 -0.648 0.000 2.252 106 I HA -0.251 3.859 4.170 -0.101 0.000 0.245 106 I C 2.156 177.939 176.117 -0.557 0.000 1.102 106 I CA 0.750 61.667 61.300 -0.638 0.000 1.385 106 I CB -0.144 37.410 38.000 -0.742 0.000 1.064 106 I HN 0.120 nan 8.210 nan 0.000 0.414 107 V N 0.655 120.199 119.914 -0.616 0.000 2.295 107 V HA -0.316 3.743 4.120 -0.101 0.000 0.246 107 V C 2.351 178.485 176.094 0.066 0.000 1.049 107 V CA 2.178 64.356 62.300 -0.202 0.000 1.024 107 V CB -0.681 31.168 31.823 0.042 0.000 0.648 107 V HN 0.519 nan 8.190 nan 0.000 0.447 108 D N -0.354 119.963 120.400 -0.139 0.000 2.092 108 D HA -0.247 4.333 4.640 -0.101 0.000 0.193 108 D C 1.980 178.339 176.300 0.098 0.000 0.994 108 D CA 1.936 55.871 54.000 -0.109 0.000 0.828 108 D CB -0.238 40.096 40.800 -0.776 0.000 0.963 108 D HN 0.671 nan 8.370 nan 0.000 0.450 109 H N -0.420 118.556 119.070 -0.155 0.000 2.489 109 H HA -0.094 4.402 4.556 -0.101 0.000 0.293 109 H C 1.754 177.071 175.328 -0.019 0.000 1.066 109 H CA 0.703 56.693 56.048 -0.095 0.000 1.305 109 H CB 0.307 29.991 29.762 -0.130 0.000 1.386 109 H HN 0.237 nan 8.280 nan 0.000 0.551 110 D N 0.838 121.306 120.400 0.114 0.000 2.149 110 D HA -0.088 4.492 4.640 -0.101 0.000 0.201 110 D C 2.075 178.478 176.300 0.173 0.000 0.972 110 D CA 0.603 54.678 54.000 0.124 0.000 0.835 110 D CB 0.290 41.150 40.800 0.101 0.000 0.966 110 D HN 0.358 nan 8.370 nan 0.000 0.476 111 L N 0.128 121.476 121.223 0.209 0.000 2.202 111 L HA 0.087 4.367 4.340 -0.101 0.000 0.205 111 L C 0.543 177.518 176.870 0.174 0.000 1.083 111 L CA 0.569 55.532 54.840 0.206 0.000 0.790 111 L CB -0.017 42.211 42.059 0.282 0.000 0.942 111 L HN 0.026 nan 8.230 nan 0.000 0.452 112 D N -1.707 118.807 120.400 0.190 0.000 2.602 112 D HA 0.387 4.966 4.640 -0.101 0.000 0.236 112 D C -1.393 175.033 176.300 0.210 0.000 1.209 112 D CA -0.406 53.692 54.000 0.163 0.000 0.831 112 D CB 3.033 43.919 40.800 0.143 0.000 1.478 112 D HN -0.209 nan 8.370 nan 0.000 0.438 113 F N 0.567 120.501 119.950 -0.027 0.000 2.881 113 F HA 0.500 4.967 4.527 -0.100 0.000 0.348 113 F C -1.829 173.946 175.800 -0.042 0.000 1.240 113 F CA -0.844 57.118 58.000 -0.063 0.000 1.130 113 F CB 1.501 40.462 39.000 -0.066 0.000 1.417 113 F HN 0.607 nan 8.300 nan 0.000 0.585 114 A N 8.233 130.833 122.820 -0.368 0.000 2.654 114 A HA 0.652 4.911 4.320 -0.101 0.000 0.345 114 A C -2.598 174.595 177.584 -0.652 0.000 1.368 114 A CA -1.430 50.376 52.037 -0.385 0.000 0.895 114 A CB -0.409 18.573 19.000 -0.030 0.000 1.143 114 A HN 0.407 nan 8.150 nan 0.000 0.490 115 P HA 0.091 nan 4.420 nan 0.000 0.270 115 P C -0.206 176.883 177.300 -0.352 0.000 1.223 115 P CA 0.122 62.728 63.100 -0.824 0.000 0.785 115 P CB 0.840 32.084 31.700 -0.761 0.000 0.923 116 E N -0.001 120.062 120.200 -0.228 0.000 2.371 116 E HA 0.177 4.466 4.350 -0.101 0.000 0.257 116 E C 0.256 176.782 176.600 -0.124 0.000 1.134 116 E CA -0.381 55.943 56.400 -0.128 0.000 0.919 116 E CB 0.292 29.930 29.700 -0.104 0.000 1.025 116 E HN 0.485 nan 8.360 nan 0.000 0.438 117 T N -0.629 113.899 114.554 -0.044 0.000 2.918 117 T HA 0.133 4.423 4.350 -0.101 0.000 0.302 117 T C 0.373 175.018 174.700 -0.092 0.000 1.045 117 T CA -0.581 61.493 62.100 -0.043 0.000 1.114 117 T CB 1.503 70.414 68.868 0.071 0.000 0.965 117 T HN 0.341 nan 8.240 nan 0.000 0.540 118 E N 0.239 120.375 120.200 -0.106 0.000 3.400 118 E HA 0.384 4.673 4.350 -0.101 0.000 0.416 118 E C 0.830 177.387 176.600 -0.072 0.000 0.439 118 E CA -0.461 55.866 56.400 -0.122 0.000 2.569 118 E CB 0.233 29.851 29.700 -0.137 0.000 2.190 118 E HN 0.708 nan 8.360 nan 0.000 0.497 119 L N -1.301 119.879 121.223 -0.072 0.000 4.892 119 L HA -0.145 4.135 4.340 -0.101 0.000 0.403 119 L C 0.534 177.369 176.870 -0.058 0.000 0.913 119 L CA 1.391 56.205 54.840 -0.045 0.000 1.653 119 L CB -1.387 40.670 42.059 -0.003 0.000 1.780 119 L HN 0.501 nan 8.230 nan 0.000 0.597 120 G N 0.436 109.176 108.800 -0.101 0.000 3.562 120 G HA2 0.347 4.246 3.960 -0.101 0.000 0.279 120 G HA3 0.347 4.246 3.960 -0.101 0.000 0.279 120 G C 0.309 175.137 174.900 -0.119 0.000 1.314 120 G CA 0.575 45.603 45.100 -0.120 0.000 1.189 120 G HN 0.509 nan 8.290 nan 0.000 0.562 121 S N 1.018 116.661 115.700 -0.095 0.000 2.422 121 S HA 0.295 4.705 4.470 -0.101 0.000 0.298 121 S C 0.668 175.221 174.600 -0.078 0.000 1.118 121 S CA -0.599 57.547 58.200 -0.090 0.000 1.083 121 S CB 0.016 63.168 63.200 -0.079 0.000 0.971 121 S HN 0.573 nan 8.310 nan 0.000 0.478 122 N N 2.669 121.317 118.700 -0.087 0.000 2.699 122 N HA -0.190 4.489 4.740 -0.101 0.000 0.257 122 N C -0.965 174.493 175.510 -0.087 0.000 1.077 122 N CA 0.662 53.658 53.050 -0.090 0.000 0.702 122 N CB -0.512 37.929 38.487 -0.075 0.000 0.886 122 N HN 0.762 nan 8.380 nan 0.000 0.549 123 E N -0.410 119.741 120.200 -0.081 0.000 2.312 123 E HA 0.382 4.671 4.350 -0.101 0.000 0.267 123 E C -0.138 176.472 176.600 0.017 0.000 0.894 123 E CA -0.505 55.875 56.400 -0.032 0.000 0.773 123 E CB 0.994 30.686 29.700 -0.013 0.000 1.241 123 E HN 0.385 nan 8.360 nan 0.000 0.432 124 H N 0.977 120.064 119.070 0.028 0.000 2.648 124 H HA 0.135 4.631 4.556 -0.101 0.000 0.265 124 H C 1.424 176.805 175.328 0.088 0.000 0.961 124 H CA 0.567 56.648 56.048 0.055 0.000 1.185 124 H CB 0.861 30.658 29.762 0.058 0.000 1.449 124 H HN 0.467 nan 8.280 nan 0.000 0.523 125 S N 0.693 116.518 115.700 0.208 0.000 2.383 125 S HA -0.141 4.269 4.470 -0.101 0.000 0.227 125 S C 1.967 176.711 174.600 0.240 0.000 1.026 125 S CA 1.102 59.421 58.200 0.198 0.000 0.981 125 S CB -0.027 63.277 63.200 0.172 0.000 0.818 125 S HN 0.326 nan 8.310 nan 0.000 0.472 126 K N -0.388 120.114 120.400 0.171 0.000 2.281 126 K HA -0.064 4.195 4.320 -0.101 0.000 0.203 126 K C 1.356 178.078 176.600 0.204 0.000 1.046 126 K CA 1.538 57.904 56.287 0.133 0.000 0.938 126 K CB -0.121 32.362 32.500 -0.028 0.000 0.737 126 K HN 0.390 nan 8.250 nan 0.000 0.458 127 T N -0.924 113.756 114.554 0.210 0.000 2.999 127 T HA -0.031 4.259 4.350 -0.101 0.000 0.247 127 T C 1.397 176.188 174.700 0.152 0.000 1.012 127 T CA -0.024 62.181 62.100 0.176 0.000 1.048 127 T CB 0.368 69.373 68.868 0.229 0.000 1.020 127 T HN 0.227 nan 8.240 nan 0.000 0.478 128 Q N -0.042 119.871 119.800 0.188 0.000 2.364 128 Q HA -0.082 4.197 4.340 -0.101 0.000 0.207 128 Q C 2.158 178.273 176.000 0.191 0.000 0.970 128 Q CA 0.945 56.879 55.803 0.218 0.000 0.888 128 Q CB -0.220 28.609 28.738 0.151 0.000 0.951 128 Q HN 0.500 nan 8.270 nan 0.000 0.469 129 c N -0.523 118.185 118.600 0.180 0.000 2.525 129 c HA 0.127 4.637 4.570 -0.101 0.000 0.291 129 c C 2.270 176.398 174.090 0.063 0.000 1.351 129 c CA 0.305 56.707 56.329 0.122 0.000 1.771 129 c CB -0.167 42.449 42.510 0.177 0.000 2.177 129 c HN 0.579 nan 8.230 nan 0.000 0.510 130 E N -0.099 120.171 120.200 0.118 0.000 2.216 130 E HA -0.063 4.226 4.350 -0.101 0.000 0.192 130 E C 1.929 178.489 176.600 -0.066 0.000 0.973 130 E CA 0.519 56.958 56.400 0.064 0.000 0.851 130 E CB 0.118 29.946 29.700 0.214 0.000 0.804 130 E HN 0.540 nan 8.360 nan 0.000 0.477 131 E N -0.291 119.813 120.200 -0.160 0.000 2.076 131 E HA -0.113 4.176 4.350 -0.101 0.000 0.190 131 E C 1.161 177.409 176.600 -0.586 0.000 0.979 131 E CA 1.033 57.158 56.400 -0.459 0.000 0.807 131 E CB 0.031 29.267 29.700 -0.774 0.000 0.761 131 E HN 0.434 nan 8.360 nan 0.000 0.454 132 Y N -1.341 118.947 120.300 -0.019 0.000 2.481 132 Y HA 0.186 4.675 4.550 -0.101 0.000 0.247 132 Y C 0.803 176.668 175.900 -0.058 0.000 1.151 132 Y CA -0.424 57.654 58.100 -0.037 0.000 1.238 132 Y CB 0.108 38.546 38.460 -0.037 0.000 1.179 132 Y HN -0.076 nan 8.280 nan 0.000 0.524 133 c N 1.745 120.360 118.600 0.024 0.000 4.274 133 c HA -0.189 4.321 4.570 -0.101 0.000 0.297 133 c C 0.258 174.327 174.090 -0.035 0.000 1.446 133 c CA -0.809 55.491 56.329 -0.049 0.000 2.016 133 c CB -2.926 39.520 42.510 -0.107 0.000 1.273 133 c HN 0.246 nan 8.230 nan 0.000 0.782 134 I N 1.311 121.892 120.570 0.019 0.000 2.379 134 I HA 0.178 4.288 4.170 -0.101 0.000 0.290 134 I C 0.731 176.821 176.117 -0.046 0.000 1.063 134 I CA 0.542 61.834 61.300 -0.013 0.000 1.351 134 I CB 0.225 38.233 38.000 0.013 0.000 1.410 134 I HN 0.523 nan 8.210 nan 0.000 0.505 135 Q N 4.687 124.412 119.800 -0.125 0.000 2.337 135 Q HA 0.485 4.765 4.340 -0.101 0.000 0.270 135 Q C -0.123 175.783 176.000 -0.157 0.000 1.002 135 Q CA 0.028 55.701 55.803 -0.217 0.000 0.888 135 Q CB 0.897 29.371 28.738 -0.440 0.000 1.222 135 Q HN 0.944 nan 8.270 nan 0.000 0.400 136 G N 3.165 111.950 108.800 -0.025 0.000 2.433 136 G HA2 0.222 4.122 3.960 -0.101 0.000 0.306 136 G HA3 0.222 4.122 3.960 -0.101 0.000 0.306 136 G C -1.352 173.753 174.900 0.341 0.000 1.627 136 G CA -0.286 44.918 45.100 0.174 0.000 0.893 136 G HN 0.787 nan 8.290 nan 0.000 0.648 137 D N 0.418 121.059 120.400 0.401 0.000 3.217 137 D HA -0.249 4.330 4.640 -0.101 0.000 0.191 137 D C 1.165 177.664 176.300 0.332 0.000 1.359 137 D CA 1.272 55.435 54.000 0.273 0.000 1.042 137 D CB -0.172 40.740 40.800 0.187 0.000 0.593 137 D HN 0.509 nan 8.370 nan 0.000 0.656 138 N N -0.016 118.840 118.700 0.259 0.000 2.635 138 N HA -0.075 4.604 4.740 -0.101 0.000 0.191 138 N C 0.592 176.330 175.510 0.379 0.000 1.155 138 N CA 0.419 53.648 53.050 0.300 0.000 0.927 138 N CB -0.552 38.099 38.487 0.273 0.000 0.976 138 N HN 0.333 nan 8.380 nan 0.000 0.448 139 c N 1.389 120.199 118.600 0.350 0.000 2.246 139 c HA 0.413 4.922 4.570 -0.101 0.000 0.329 139 c C -0.390 173.895 174.090 0.326 0.000 1.221 139 c CA -0.850 55.611 56.329 0.221 0.000 1.697 139 c CB -1.653 40.943 42.510 0.142 0.000 2.312 139 c HN 0.252 nan 8.230 nan 0.000 0.509 140 F N 9.986 130.023 119.950 0.145 0.000 2.660 140 F HA 0.465 4.931 4.527 -0.101 0.000 0.352 140 F C -2.200 173.589 175.800 -0.018 0.000 1.257 140 F CA -3.160 54.923 58.000 0.138 0.000 1.200 140 F CB 0.739 39.975 39.000 0.392 0.000 1.473 140 F HN 0.500 nan 8.300 nan 0.000 0.561 141 P HA 0.083 nan 4.420 nan 0.000 0.267 141 P C -0.150 176.863 177.300 -0.478 0.000 1.200 141 P CA 0.205 63.127 63.100 -0.297 0.000 0.772 141 P CB 1.521 33.077 31.700 -0.241 0.000 0.855 142 I N 3.654 123.956 120.570 -0.446 0.000 2.291 142 I HA 0.128 4.238 4.170 -0.101 0.000 0.290 142 I C 1.006 176.840 176.117 -0.471 0.000 1.050 142 I CA -0.528 60.497 61.300 -0.459 0.000 1.245 142 I CB 0.358 38.146 38.000 -0.353 0.000 1.405 142 I HN 0.125 nan 8.210 nan 0.000 0.478 143 M N 5.920 125.294 119.600 -0.378 0.000 2.240 143 M HA 0.295 4.714 4.480 -0.101 0.000 0.333 143 M C -0.235 175.933 176.300 -0.221 0.000 1.110 143 M CA 0.248 55.347 55.300 -0.335 0.000 1.173 143 M CB -0.072 32.408 32.600 -0.200 0.000 1.458 143 M HN 0.253 nan 8.290 nan 0.000 0.458 144 F N 1.989 121.878 119.950 -0.102 0.000 2.385 144 F HA 0.356 4.823 4.527 -0.101 0.000 0.336 144 F C -1.465 174.293 175.800 -0.070 0.000 1.100 144 F CA -1.927 56.021 58.000 -0.086 0.000 1.116 144 F CB 0.965 39.916 39.000 -0.082 0.000 1.166 144 F HN 0.333 nan 8.300 nan 0.000 0.511 145 P HA 0.021 nan 4.420 nan 0.000 0.272 145 P C -1.062 176.259 177.300 0.035 0.000 1.240 145 P CA -0.492 62.641 63.100 0.054 0.000 0.791 145 P CB 0.548 32.263 31.700 0.025 0.000 0.978 146 K N 1.669 122.077 120.400 0.013 0.000 2.319 146 K HA 0.016 4.276 4.320 -0.101 0.000 0.265 146 K C 0.189 176.783 176.600 -0.010 0.000 1.000 146 K CA 0.150 56.439 56.287 0.004 0.000 0.943 146 K CB -0.350 32.150 32.500 -0.001 0.000 0.950 146 K HN 0.480 nan 8.250 nan 0.000 0.485 147 N N -0.365 118.323 118.700 -0.020 0.000 2.778 147 N HA -0.246 4.434 4.740 -0.101 0.000 0.249 147 N C -1.051 174.424 175.510 -0.058 0.000 1.069 147 N CA 1.286 54.316 53.050 -0.033 0.000 0.831 147 N CB -1.500 36.972 38.487 -0.026 0.000 1.142 147 N HN 0.744 nan 8.380 nan 0.000 0.573 148 D N 0.487 120.841 120.400 -0.077 0.000 2.417 148 D HA 0.063 4.643 4.640 -0.101 0.000 0.250 148 D C -1.210 174.970 176.300 -0.200 0.000 1.166 148 D CA -1.529 52.379 54.000 -0.153 0.000 0.881 148 D CB 0.936 41.604 40.800 -0.220 0.000 1.164 148 D HN 0.069 nan 8.370 nan 0.000 0.467 149 P HA -0.099 nan 4.420 nan 0.000 0.219 149 P C 0.883 178.038 177.300 -0.242 0.000 1.146 149 P CA 1.087 64.084 63.100 -0.172 0.000 0.808 149 P CB 0.308 31.927 31.700 -0.135 0.000 0.779 150 K N -1.048 119.097 120.400 -0.426 0.000 2.365 150 K HA -0.009 4.251 4.320 -0.101 0.000 0.199 150 K C 1.892 178.223 176.600 -0.449 0.000 1.045 150 K CA 0.513 56.468 56.287 -0.554 0.000 0.962 150 K CB -0.448 31.435 32.500 -1.028 0.000 0.759 150 K HN 0.190 nan 8.250 nan 0.000 0.469 151 L N 1.160 122.167 121.223 -0.360 0.000 1.955 151 L HA -0.260 4.019 4.340 -0.101 0.000 0.213 151 L C 2.070 178.908 176.870 -0.053 0.000 1.072 151 L CA 1.659 56.442 54.840 -0.094 0.000 0.755 151 L CB -0.282 41.748 42.059 -0.049 0.000 0.888 151 L HN 0.092 nan 8.230 nan 0.000 0.432 152 K N -1.576 118.781 120.400 -0.072 0.000 2.218 152 K HA -0.186 4.074 4.320 -0.101 0.000 0.205 152 K C 1.794 178.369 176.600 -0.041 0.000 1.046 152 K CA 1.748 58.007 56.287 -0.046 0.000 0.933 152 K CB -0.167 32.303 32.500 -0.051 0.000 0.728 152 K HN 0.224 nan 8.250 nan 0.000 0.454 153 T N -1.209 113.307 114.554 -0.064 0.000 2.975 153 T HA 0.135 4.425 4.350 -0.101 0.000 0.257 153 T C 1.205 175.887 174.700 -0.030 0.000 1.003 153 T CA 0.081 62.153 62.100 -0.046 0.000 0.932 153 T CB 0.401 69.233 68.868 -0.059 0.000 1.087 153 T HN 0.107 nan 8.240 nan 0.000 0.512 154 Q N -0.904 118.881 119.800 -0.026 0.000 2.534 154 Q HA 0.458 4.738 4.340 -0.101 0.000 0.252 154 Q C 0.827 176.875 176.000 0.080 0.000 0.850 154 Q CA 0.325 56.142 55.803 0.024 0.000 0.974 154 Q CB 1.755 30.508 28.738 0.024 0.000 1.205 154 Q HN 0.480 nan 8.270 nan 0.000 0.593 155 G N -0.105 108.786 108.800 0.151 0.000 2.356 155 G HA2 -0.018 3.882 3.960 -0.101 0.000 0.266 155 G HA3 -0.018 3.882 3.960 -0.101 0.000 0.266 155 G C -0.871 174.159 174.900 0.216 0.000 1.312 155 G CA -0.544 44.629 45.100 0.122 0.000 0.922 155 G HN -0.127 nan 8.290 nan 0.000 0.480 156 K N -0.671 119.762 120.400 0.054 0.000 2.361 156 K HA 0.305 4.565 4.320 -0.101 0.000 0.194 156 K C 0.708 177.124 176.600 -0.307 0.000 1.032 156 K CA 1.140 57.431 56.287 0.008 0.000 1.048 156 K CB 0.341 32.820 32.500 -0.035 0.000 0.842 156 K HN 0.992 nan 8.250 nan 0.000 0.526 157 c N -2.272 115.986 118.600 -0.571 0.000 3.284 157 c HA 0.631 5.141 4.570 -0.101 0.000 0.348 157 c C -1.276 172.273 174.090 -0.903 0.000 1.448 157 c CA -1.249 54.482 56.329 -0.997 0.000 1.223 157 c CB 0.943 43.136 42.510 -0.528 0.000 1.588 157 c HN 0.127 nan 8.230 nan 0.000 0.451 158 M N 3.312 122.454 119.600 -0.764 0.000 2.125 158 M HA 0.502 4.921 4.480 -0.101 0.000 0.321 158 M C -2.365 173.799 176.300 -0.227 0.000 0.983 158 M CA -1.857 53.167 55.300 -0.460 0.000 0.934 158 M CB 2.353 34.756 32.600 -0.329 0.000 1.542 158 M HN 0.691 nan 8.290 nan 0.000 0.424 159 P HA 0.125 nan 4.420 nan 0.000 0.269 159 P C -1.364 175.884 177.300 -0.088 0.000 1.215 159 P CA 0.216 63.216 63.100 -0.165 0.000 0.780 159 P CB 0.608 32.246 31.700 -0.102 0.000 0.898 160 F N 2.039 121.619 119.950 -0.617 0.000 2.639 160 F HA 0.479 4.945 4.527 -0.101 0.000 0.320 160 F C -1.921 173.482 175.800 -0.662 0.000 1.128 160 F CA -0.811 56.926 58.000 -0.438 0.000 1.037 160 F CB 1.071 39.937 39.000 -0.223 0.000 1.288 160 F HN 0.069 nan 8.300 nan 0.000 0.463 161 F N 4.637 124.421 119.950 -0.277 0.000 2.495 161 F HA 0.627 5.093 4.527 -0.101 0.000 0.327 161 F C 0.284 176.011 175.800 -0.121 0.000 1.103 161 F CA -0.950 57.019 58.000 -0.052 0.000 0.949 161 F CB 1.558 40.524 39.000 -0.057 0.000 1.142 161 F HN 0.282 nan 8.300 nan 0.000 0.457 162 R N 1.308 121.999 120.500 0.319 0.000 2.734 162 R HA 0.489 4.769 4.340 -0.101 0.000 0.266 162 R C 0.030 176.439 176.300 0.182 0.000 1.044 162 R CA -0.375 55.913 56.100 0.313 0.000 1.128 162 R CB 0.393 30.860 30.300 0.279 0.000 1.010 162 R HN 0.776 nan 8.270 nan 0.000 0.461 163 A N 1.477 124.404 122.820 0.179 0.000 2.386 163 A HA 0.385 4.644 4.320 -0.101 0.000 0.248 163 A C 0.604 178.248 177.584 0.099 0.000 1.082 163 A CA -0.003 52.089 52.037 0.092 0.000 0.789 163 A CB 0.378 19.453 19.000 0.124 0.000 1.025 163 A HN 0.773 nan 8.150 nan 0.000 0.490 164 G N -0.258 108.548 108.800 0.010 0.000 2.594 164 G HA2 0.469 4.369 3.960 -0.101 0.000 0.243 164 G HA3 0.469 4.369 3.960 -0.101 0.000 0.243 164 G C -0.240 174.706 174.900 0.077 0.000 1.229 164 G CA 0.052 45.150 45.100 -0.004 0.000 0.843 164 G HN 1.007 nan 8.290 nan 0.000 0.578 165 F N -0.365 119.515 119.950 -0.117 0.000 2.691 165 F HA 0.783 5.250 4.527 -0.101 0.000 0.334 165 F C 0.218 175.945 175.800 -0.121 0.000 1.107 165 F CA -1.475 56.459 58.000 -0.110 0.000 0.991 165 F CB 0.843 39.788 39.000 -0.091 0.000 1.400 165 F HN 0.556 nan 8.300 nan 0.000 0.503 166 V N -2.377 117.534 119.914 -0.004 0.000 3.463 166 V HA 0.643 4.703 4.120 -0.101 0.000 0.302 166 V C 0.636 176.591 176.094 -0.233 0.000 1.097 166 V CA -0.677 61.539 62.300 -0.140 0.000 1.003 166 V CB 0.496 32.288 31.823 -0.052 0.000 1.229 166 V HN 1.436 nan 8.190 nan 0.000 0.444 167 c N -2.070 116.395 118.600 -0.226 0.000 0.173 167 c HA -0.185 4.325 4.570 -0.101 0.000 0.017 167 c C -0.846 173.016 174.090 -0.380 0.000 0.172 167 c CA 0.862 57.005 56.329 -0.309 0.000 0.499 167 c CB -3.113 39.109 42.510 -0.480 0.000 3.212 167 c HN 1.045 nan 8.230 nan 0.000 1.118 168 P HA 0.178 nan 4.420 nan 0.000 0.317 168 P C 0.894 177.818 177.300 -0.627 0.000 1.427 168 P CA 2.674 65.499 63.100 -0.458 0.000 0.820 168 P CB 0.067 31.541 31.700 -0.376 0.000 1.894 169 T N -6.011 108.166 114.554 -0.628 0.000 3.676 169 T HA 0.141 4.431 4.350 -0.101 0.000 0.305 169 T C -2.188 172.373 174.700 -0.232 0.000 0.871 169 T CA 0.030 61.639 62.100 -0.819 0.000 1.057 169 T CB -1.434 67.130 68.868 -0.508 0.000 1.136 169 T HN -0.009 nan 8.240 nan 0.000 0.560 170 P HA 0.266 nan 4.420 nan 0.000 0.330 170 P C -2.463 174.981 177.300 0.239 0.000 1.377 170 P CA -0.195 62.959 63.100 0.089 0.000 0.793 170 P CB -0.770 30.951 31.700 0.035 0.000 1.813 171 P HA 0.081 nan 4.420 nan 0.000 0.263 171 P C -0.913 176.517 177.300 0.218 0.000 1.345 171 P CA 0.898 64.090 63.100 0.152 0.000 1.119 171 P CB -0.738 31.012 31.700 0.083 0.000 1.363 172 Y N 2.831 123.186 120.300 0.091 0.000 2.686 172 Y HA 0.405 4.895 4.550 -0.100 0.000 0.330 172 Y C 1.125 176.988 175.900 -0.062 0.000 1.082 172 Y CA -0.308 57.834 58.100 0.070 0.000 1.158 172 Y CB 1.746 40.367 38.460 0.268 0.000 1.333 172 Y HN 0.312 nan 8.280 nan 0.000 0.519 173 Q N -0.662 118.612 119.800 -0.877 0.000 1.695 173 Q HA 0.116 4.396 4.340 -0.101 0.000 0.146 173 Q C 1.267 176.928 176.000 -0.566 0.000 0.477 173 Q CA 0.522 55.976 55.803 -0.583 0.000 0.781 173 Q CB 0.248 28.746 28.738 -0.399 0.000 0.877 173 Q HN 0.637 nan 8.270 nan 0.000 0.227 174 S N 1.616 116.978 115.700 -0.564 0.000 2.337 174 S HA -0.227 4.183 4.470 -0.101 0.000 0.399 174 S C 1.151 175.666 174.600 -0.142 0.000 1.134 174 S CA 2.236 60.253 58.200 -0.305 0.000 2.090 174 S CB -0.902 62.130 63.200 -0.279 0.000 1.665 174 S HN 0.417 nan 8.310 nan 0.000 0.502 175 L N 0.320 121.525 121.223 -0.031 0.000 2.448 175 L HA 0.573 4.852 4.340 -0.101 0.000 0.258 175 L C 0.410 177.277 176.870 -0.006 0.000 1.104 175 L CA -0.578 54.273 54.840 0.018 0.000 0.800 175 L CB 0.613 42.727 42.059 0.092 0.000 1.241 175 L HN 0.427 nan 8.230 nan 0.000 0.472 176 A N 1.714 124.542 122.820 0.015 0.000 2.546 176 A HA 0.078 4.337 4.320 -0.101 0.000 0.243 176 A C 0.168 177.765 177.584 0.021 0.000 1.063 176 A CA 0.036 52.081 52.037 0.014 0.000 0.757 176 A CB -0.100 18.960 19.000 0.100 0.000 0.991 176 A HN 0.742 nan 8.150 nan 0.000 0.503 177 R N 2.102 122.535 120.500 -0.111 0.000 2.458 177 R HA 0.106 4.385 4.340 -0.101 0.000 0.303 177 R C -0.795 175.550 176.300 0.075 0.000 1.013 177 R CA 0.366 56.394 56.100 -0.121 0.000 1.026 177 R CB 0.224 30.236 30.300 -0.480 0.000 0.948 177 R HN 0.705 nan 8.270 nan 0.000 0.417 178 E N 4.191 124.456 120.200 0.107 0.000 2.191 178 E HA 0.122 4.412 4.350 -0.101 0.000 0.263 178 E C -0.734 175.917 176.600 0.084 0.000 0.881 178 E CA -0.992 55.471 56.400 0.105 0.000 0.757 178 E CB 1.909 31.669 29.700 0.100 0.000 1.147 178 E HN 0.519 nan 8.360 nan 0.000 0.414 179 Q N 1.080 120.885 119.800 0.009 0.000 2.492 179 Q HA 0.324 4.603 4.340 -0.101 0.000 0.238 179 Q C 0.171 176.155 176.000 -0.027 0.000 1.045 179 Q CA 0.145 55.915 55.803 -0.055 0.000 0.934 179 Q CB 0.631 29.206 28.738 -0.273 0.000 1.276 179 Q HN 0.464 nan 8.270 nan 0.000 0.521 180 I N 0.996 121.530 120.570 -0.059 0.000 2.566 180 I HA 0.283 4.393 4.170 -0.101 0.000 0.303 180 I C -0.027 176.047 176.117 -0.071 0.000 0.983 180 I CA -0.838 60.420 61.300 -0.070 0.000 1.235 180 I CB 1.163 39.093 38.000 -0.118 0.000 1.386 180 I HN 0.424 nan 8.210 nan 0.000 0.494 181 N N 3.373 122.049 118.700 -0.041 0.000 2.518 181 N HA 0.399 5.079 4.740 -0.101 0.000 0.254 181 N C 0.134 175.645 175.510 0.003 0.000 0.979 181 N CA -0.396 52.647 53.050 -0.011 0.000 0.930 181 N CB 1.850 40.343 38.487 0.009 0.000 1.152 181 N HN 0.730 nan 8.380 nan 0.000 0.505 182 A N 2.433 125.259 122.820 0.010 0.000 2.238 182 A HA 0.163 4.422 4.320 -0.101 0.000 0.208 182 A C 0.647 178.319 177.584 0.146 0.000 1.177 182 A CA 0.576 52.649 52.037 0.060 0.000 0.804 182 A CB -0.286 18.748 19.000 0.057 0.000 0.823 182 A HN 0.490 nan 8.150 nan 0.000 0.482 183 V N -3.537 116.470 119.914 0.154 0.000 3.113 183 V HA 0.734 4.793 4.120 -0.101 0.000 0.316 183 V C 0.143 176.312 176.094 0.125 0.000 1.125 183 V CA -0.341 62.055 62.300 0.161 0.000 1.026 183 V CB 0.879 32.812 31.823 0.183 0.000 1.080 183 V HN 0.351 nan 8.190 nan 0.000 0.444 184 T N -0.493 114.150 114.554 0.149 0.000 2.926 184 T HA 0.232 4.522 4.350 -0.101 0.000 0.307 184 T C 0.978 175.720 174.700 0.070 0.000 1.059 184 T CA 0.480 62.669 62.100 0.149 0.000 1.122 184 T CB 0.950 69.982 68.868 0.274 0.000 0.972 184 T HN 0.829 nan 8.240 nan 0.000 0.545 185 S N 1.241 116.869 115.700 -0.120 0.000 2.436 185 S HA 0.162 4.571 4.470 -0.101 0.000 0.228 185 S C 0.370 174.853 174.600 -0.195 0.000 1.014 185 S CA 0.038 58.105 58.200 -0.221 0.000 0.950 185 S CB -0.476 62.498 63.200 -0.375 0.000 0.784 185 S HN 0.683 nan 8.310 nan 0.000 0.504 186 F N 1.492 121.543 119.950 0.169 0.000 2.496 186 F HA 0.174 4.640 4.527 -0.102 0.000 0.344 186 F C 0.645 176.596 175.800 0.252 0.000 1.155 186 F CA -0.457 57.677 58.000 0.222 0.000 1.302 186 F CB 0.320 39.463 39.000 0.237 0.000 1.159 186 F HN 0.026 nan 8.300 nan 0.000 0.595 187 L N 3.975 125.501 121.223 0.506 0.000 2.404 187 L HA 0.128 4.408 4.340 -0.101 0.000 0.277 187 L C -0.149 176.964 176.870 0.404 0.000 1.184 187 L CA -0.089 55.022 54.840 0.452 0.000 1.013 187 L CB -0.429 41.976 42.059 0.577 0.000 1.318 187 L HN 0.774 nan 8.230 nan 0.000 0.435 188 D N 2.322 122.926 120.400 0.339 0.000 2.540 188 D HA 0.150 4.730 4.640 -0.101 0.000 0.229 188 D C 0.737 177.192 176.300 0.258 0.000 1.250 188 D CA 0.319 54.487 54.000 0.281 0.000 0.817 188 D CB 0.605 41.564 40.800 0.266 0.000 1.060 188 D HN 0.376 nan 8.370 nan 0.000 0.508 189 A N 0.671 123.637 122.820 0.244 0.000 2.969 189 A HA -0.229 4.030 4.320 -0.101 0.000 0.252 189 A C 1.645 179.371 177.584 0.236 0.000 1.377 189 A CA 1.081 53.252 52.037 0.223 0.000 0.859 189 A CB -2.678 16.512 19.000 0.317 0.000 1.077 189 A HN 0.747 nan 8.150 nan 0.000 0.671 190 S N -0.573 115.257 115.700 0.218 0.000 2.547 190 S HA 0.036 4.445 4.470 -0.101 0.000 0.235 190 S C 1.601 176.284 174.600 0.139 0.000 0.980 190 S CA 1.136 59.461 58.200 0.209 0.000 0.941 190 S CB -0.795 62.524 63.200 0.199 0.000 0.763 190 S HN 1.755 nan 8.310 nan 0.000 0.532 191 L N -1.628 119.651 121.223 0.092 0.000 2.446 191 L HA 0.299 4.579 4.340 -0.101 0.000 0.219 191 L C 1.856 178.769 176.870 0.072 0.000 1.116 191 L CA 0.308 55.205 54.840 0.095 0.000 0.844 191 L CB -0.353 41.752 42.059 0.077 0.000 0.970 191 L HN 0.130 nan 8.230 nan 0.000 0.457 192 V N -0.361 119.491 119.914 -0.104 0.000 2.374 192 V HA -0.105 3.954 4.120 -0.101 0.000 0.241 192 V C 2.000 177.831 176.094 -0.439 0.000 1.034 192 V CA 1.450 63.542 62.300 -0.348 0.000 1.037 192 V CB -0.544 30.839 31.823 -0.734 0.000 0.682 192 V HN 0.396 nan 8.190 nan 0.000 0.463 193 Y N 0.706 121.004 120.300 -0.004 0.000 2.510 193 Y HA 0.526 5.011 4.550 -0.109 0.000 0.273 193 Y C 1.355 177.274 175.900 0.032 0.000 1.119 193 Y CA 0.541 58.644 58.100 0.004 0.000 1.286 193 Y CB 0.020 38.485 38.460 0.009 0.000 1.061 193 Y HN 0.358 nan 8.280 nan 0.000 0.542 194 G N -0.272 108.619 108.800 0.152 0.000 2.619 194 G HA2 -0.140 3.759 3.960 -0.101 0.000 0.686 194 G HA3 -0.140 3.759 3.960 -0.101 0.000 0.686 194 G C 0.116 175.116 174.900 0.167 0.000 1.256 194 G CA -0.258 44.921 45.100 0.131 0.000 0.826 194 G HN 0.019 nan 8.290 nan 0.000 0.619 195 S N 0.132 115.931 115.700 0.166 0.000 2.629 195 S HA 0.324 4.733 4.470 -0.101 0.000 0.236 195 S C 0.414 175.095 174.600 0.135 0.000 1.010 195 S CA 0.357 58.652 58.200 0.159 0.000 0.981 195 S CB 0.484 63.784 63.200 0.167 0.000 0.919 195 S HN 0.577 nan 8.310 nan 0.000 0.514 196 E N 1.537 121.816 120.200 0.131 0.000 2.288 196 E HA 0.387 4.676 4.350 -0.101 0.000 0.268 196 E C -2.804 173.847 176.600 0.084 0.000 0.885 196 E CA -2.406 54.055 56.400 0.102 0.000 0.767 196 E CB 1.634 31.398 29.700 0.107 0.000 1.220 196 E HN -0.006 nan 8.360 nan 0.000 0.427 200 A N 0.022 122.880 122.820 0.063 0.000 1.940 200 A HA -0.300 3.960 4.320 -0.101 0.000 0.221 200 A C 2.333 179.923 177.584 0.010 0.000 1.190 200 A CA 3.093 55.175 52.037 0.075 0.000 0.647 200 A CB -1.180 17.878 19.000 0.096 0.000 0.821 200 A HN 0.631 nan 8.150 nan 0.000 0.457 201 S N -1.023 114.666 115.700 -0.019 0.000 2.357 201 S HA -0.167 4.243 4.470 -0.101 0.000 0.221 201 S C 2.177 176.750 174.600 -0.044 0.000 1.031 201 S CA 1.313 59.478 58.200 -0.060 0.000 0.982 201 S CB -0.363 62.810 63.200 -0.045 0.000 0.853 201 S HN 0.648 nan 8.310 nan 0.000 0.458 202 R N -0.201 120.288 120.500 -0.018 0.000 2.241 202 R HA 0.000 4.280 4.340 -0.101 0.000 0.224 202 R C 1.443 177.732 176.300 -0.019 0.000 1.101 202 R CA 0.868 56.960 56.100 -0.013 0.000 0.995 202 R CB -0.179 30.120 30.300 -0.001 0.000 0.870 202 R HN 0.352 nan 8.270 nan 0.000 0.463 203 L N 0.497 121.709 121.223 -0.018 0.000 2.375 203 L HA 0.148 4.428 4.340 -0.101 0.000 0.215 203 L C 0.634 177.499 176.870 -0.008 0.000 1.108 203 L CA 0.982 55.810 54.840 -0.020 0.000 0.830 203 L CB -0.236 41.817 42.059 -0.011 0.000 0.959 203 L HN 0.030 nan 8.230 nan 0.000 0.457 204 R N 0.095 120.583 120.500 -0.020 0.000 2.560 204 R HA 0.146 4.426 4.340 -0.101 0.000 0.270 204 R C 0.095 176.385 176.300 -0.017 0.000 1.074 204 R CA -0.488 55.594 56.100 -0.028 0.000 1.140 204 R CB 0.310 30.518 30.300 -0.154 0.000 1.073 204 R HN -0.096 nan 8.270 nan 0.000 0.527 205 N N 2.660 121.367 118.700 0.011 0.000 2.645 205 N HA 0.084 4.764 4.740 -0.101 0.000 0.233 205 N C -0.098 175.416 175.510 0.005 0.000 1.058 205 N CA -0.039 53.023 53.050 0.019 0.000 0.942 205 N CB 0.448 38.965 38.487 0.049 0.000 1.210 205 N HN 0.532 nan 8.380 nan 0.000 0.512 206 L N 1.237 122.453 121.223 -0.013 0.000 2.629 206 L HA 0.156 4.435 4.340 -0.101 0.000 0.230 206 L C 1.102 177.970 176.870 -0.004 0.000 1.151 206 L CA 0.080 54.907 54.840 -0.021 0.000 0.924 206 L CB 0.093 42.128 42.059 -0.040 0.000 1.137 206 L HN 0.320 nan 8.230 nan 0.000 0.457 207 S N -0.710 114.995 115.700 0.009 0.000 2.575 207 S HA 0.112 4.522 4.470 -0.101 0.000 0.215 207 S C 0.492 175.104 174.600 0.020 0.000 0.966 207 S CA -0.059 58.150 58.200 0.015 0.000 0.911 207 S CB 0.034 63.248 63.200 0.022 0.000 0.780 207 S HN 0.510 nan 8.310 nan 0.000 0.514 208 S N 0.754 116.467 115.700 0.021 0.000 2.537 208 S HA 0.422 4.832 4.470 -0.101 0.000 0.271 208 S C -3.240 171.377 174.600 0.028 0.000 1.148 208 S CA -1.176 57.040 58.200 0.027 0.000 0.868 208 S CB 1.592 64.812 63.200 0.034 0.000 1.115 208 S HN -0.026 nan 8.310 nan 0.000 0.461 209 P HA 0.322 nan 4.420 nan 0.000 0.243 209 P C 0.138 177.469 177.300 0.051 0.000 1.668 209 P CA -0.211 62.911 63.100 0.037 0.000 0.898 209 P CB -0.425 31.298 31.700 0.038 0.000 1.637 210 L N -1.748 119.508 121.223 0.055 0.000 2.590 210 L HA 0.329 4.609 4.340 -0.101 0.000 0.227 210 L C 1.446 178.367 176.870 0.085 0.000 1.099 210 L CA 0.465 55.343 54.840 0.063 0.000 0.872 210 L CB -0.556 41.535 42.059 0.054 0.000 1.088 210 L HN 0.142 nan 8.230 nan 0.000 0.479 211 G N 1.599 110.461 108.800 0.104 0.000 2.221 211 G HA2 -0.261 3.638 3.960 -0.101 0.000 0.265 211 G HA3 -0.261 3.638 3.960 -0.101 0.000 0.265 211 G C -0.009 175.066 174.900 0.292 0.000 1.041 211 G CA 0.097 45.306 45.100 0.182 0.000 0.807 211 G HN 0.228 nan 8.290 nan 0.000 0.502 212 L N -0.356 121.000 121.223 0.220 0.000 2.375 212 L HA 0.684 4.964 4.340 -0.101 0.000 0.268 212 L C 1.027 178.045 176.870 0.247 0.000 1.058 212 L CA -1.343 53.653 54.840 0.261 0.000 0.803 212 L CB 0.932 43.079 42.059 0.146 0.000 1.212 212 L HN 0.012 nan 8.230 nan 0.000 0.451 213 M N 1.284 121.027 119.600 0.239 0.000 2.274 213 M HA 0.337 4.757 4.480 -0.101 0.000 0.344 213 M C 0.211 176.538 176.300 0.046 0.000 1.161 213 M CA -0.488 54.867 55.300 0.090 0.000 1.126 213 M CB 1.184 33.778 32.600 -0.011 0.000 1.522 213 M HN 0.685 nan 8.290 nan 0.000 0.461 214 A N 2.750 125.576 122.820 0.010 0.000 2.498 214 A HA 0.475 4.735 4.320 -0.101 0.000 0.239 214 A C 0.062 177.616 177.584 -0.051 0.000 1.068 214 A CA -0.462 51.571 52.037 -0.007 0.000 0.766 214 A CB -0.028 18.965 19.000 -0.013 0.000 1.003 214 A HN 0.796 nan 8.150 nan 0.000 0.497 215 V N 1.031 120.903 119.914 -0.070 0.000 3.046 215 V HA 0.525 4.585 4.120 -0.101 0.000 0.316 215 V C 0.307 176.264 176.094 -0.229 0.000 1.104 215 V CA -1.429 60.762 62.300 -0.182 0.000 1.006 215 V CB 1.622 33.293 31.823 -0.253 0.000 1.058 215 V HN 0.895 nan 8.190 nan 0.000 0.440 216 N N 1.654 120.140 118.700 -0.356 0.000 2.454 216 N HA 0.083 4.763 4.740 -0.101 0.000 0.254 216 N C 0.274 175.570 175.510 -0.358 0.000 1.228 216 N CA 0.197 53.030 53.050 -0.362 0.000 0.900 216 N CB 1.245 39.467 38.487 -0.442 0.000 1.089 216 N HN 0.802 nan 8.380 nan 0.000 0.449 217 Q N 1.375 121.103 119.800 -0.120 0.000 2.246 217 Q HA 0.113 4.392 4.340 -0.101 0.000 0.222 217 Q C 0.465 176.561 176.000 0.160 0.000 0.851 217 Q CA 0.233 56.089 55.803 0.090 0.000 0.945 217 Q CB 0.543 29.358 28.738 0.128 0.000 1.122 217 Q HN 0.628 nan 8.270 nan 0.000 0.508 218 E N 0.613 120.864 120.200 0.084 0.000 2.250 218 E HA 0.197 4.487 4.350 -0.101 0.000 0.192 218 E C 0.305 177.020 176.600 0.192 0.000 0.986 218 E CA 0.352 56.855 56.400 0.172 0.000 0.849 218 E CB 0.705 30.565 29.700 0.266 0.000 0.797 218 E HN 0.133 nan 8.360 nan 0.000 0.482 219 A N 0.149 123.026 122.820 0.096 0.000 2.572 219 A HA 0.589 4.848 4.320 -0.101 0.000 0.295 219 A C -1.834 175.752 177.584 0.003 0.000 1.072 219 A CA -0.699 51.458 52.037 0.200 0.000 0.691 219 A CB 0.995 20.156 19.000 0.268 0.000 1.291 219 A HN 0.057 nan 8.150 nan 0.000 0.404 220 W N -0.173 121.152 121.300 0.042 0.000 2.882 220 W HA 0.578 5.176 4.660 -0.104 0.000 0.345 220 W C -0.811 175.485 176.519 -0.371 0.000 1.125 220 W CA 0.008 57.230 57.345 -0.206 0.000 1.167 220 W CB 1.789 31.173 29.460 -0.128 0.000 1.431 220 W HN 0.697 nan 8.180 nan 0.000 0.543 221 D N 0.575 120.719 120.400 -0.427 0.000 2.458 221 D HA 0.197 4.776 4.640 -0.101 0.000 0.258 221 D C -0.020 176.257 176.300 -0.037 0.000 1.134 221 D CA -0.027 53.746 54.000 -0.379 0.000 0.915 221 D CB -0.292 40.100 40.800 -0.679 0.000 1.028 221 D HN 0.483 nan 8.370 nan 0.000 0.508 222 H N 2.629 121.741 119.070 0.070 0.000 2.770 222 H HA -0.186 4.309 4.556 -0.102 0.000 0.309 222 H C 1.370 176.770 175.328 0.121 0.000 1.206 222 H CA 1.316 57.418 56.048 0.089 0.000 1.147 222 H CB -1.249 28.578 29.762 0.108 0.000 1.422 222 H HN 0.826 nan 8.280 nan 0.000 0.420 223 G N -1.081 107.823 108.800 0.174 0.000 2.284 223 G HA2 -0.324 3.576 3.960 -0.101 0.000 0.247 223 G HA3 -0.324 3.576 3.960 -0.101 0.000 0.247 223 G C 0.494 175.553 174.900 0.265 0.000 1.012 223 G CA 0.281 45.460 45.100 0.130 0.000 0.618 223 G HN 0.426 nan 8.290 nan 0.000 0.521 224 L N 1.376 122.717 121.223 0.197 0.000 2.418 224 L HA 0.646 4.926 4.340 -0.101 0.000 0.265 224 L C 1.295 178.147 176.870 -0.029 0.000 1.143 224 L CA -0.265 54.619 54.840 0.074 0.000 0.809 224 L CB 1.043 43.052 42.059 -0.082 0.000 1.124 224 L HN 0.402 nan 8.230 nan 0.000 0.456 225 A N 2.561 125.311 122.820 -0.117 0.000 2.346 225 A HA 0.442 4.701 4.320 -0.101 0.000 0.252 225 A C -0.921 176.368 177.584 -0.491 0.000 1.089 225 A CA 0.080 51.863 52.037 -0.423 0.000 0.797 225 A CB 0.283 19.115 19.000 -0.280 0.000 1.047 225 A HN 0.638 nan 8.150 nan 0.000 0.494 226 Y N -0.827 119.160 120.300 -0.521 0.000 2.570 226 Y HA 0.438 4.927 4.550 -0.101 0.000 0.345 226 Y C 0.135 175.741 175.900 -0.489 0.000 1.014 226 Y CA -1.067 56.734 58.100 -0.498 0.000 1.063 226 Y CB 1.762 39.927 38.460 -0.492 0.000 1.272 226 Y HN 0.529 nan 8.280 nan 0.000 0.477 227 L N 4.779 125.779 121.223 -0.370 0.000 2.467 227 L HA 0.178 4.457 4.340 -0.101 0.000 0.270 227 L C -2.094 174.662 176.870 -0.190 0.000 1.205 227 L CA -1.755 52.903 54.840 -0.304 0.000 0.828 227 L CB 0.236 42.067 42.059 -0.380 0.000 1.101 227 L HN 0.277 nan 8.230 nan 0.000 0.479 228 P HA 0.054 nan 4.420 nan 0.000 0.272 228 P C -0.722 176.603 177.300 0.041 0.000 1.230 228 P CA -0.255 62.788 63.100 -0.095 0.000 0.788 228 P CB 0.481 32.149 31.700 -0.054 0.000 0.949 229 F N 0.801 120.789 119.950 0.062 0.000 2.406 229 F HA 0.185 4.653 4.527 -0.099 0.000 0.327 229 F C 1.507 177.297 175.800 -0.017 0.000 1.153 229 F CA 0.043 58.046 58.000 0.004 0.000 1.218 229 F CB -0.230 38.743 39.000 -0.044 0.000 1.215 229 F HN 0.248 nan 8.300 nan 0.000 0.570 230 N N 2.004 120.819 118.700 0.192 0.000 2.472 230 N HA 0.027 4.707 4.740 -0.101 0.000 0.277 230 N C 0.885 176.422 175.510 0.045 0.000 1.081 230 N CA -0.024 53.073 53.050 0.078 0.000 0.973 230 N CB 0.523 39.035 38.487 0.042 0.000 1.105 230 N HN 0.504 nan 8.380 nan 0.000 0.470 231 N N 2.903 121.627 118.700 0.040 0.000 2.018 231 N HA -0.171 4.508 4.740 -0.101 0.000 0.196 231 N C -0.358 175.155 175.510 0.004 0.000 1.043 231 N CA 1.285 54.349 53.050 0.024 0.000 0.856 231 N CB -0.121 38.382 38.487 0.027 0.000 1.042 231 N HN 0.564 nan 8.380 nan 0.000 0.423 232 K N 1.640 122.046 120.400 0.010 0.000 2.437 232 K HA -0.034 4.226 4.320 -0.101 0.000 0.277 232 K C -0.428 176.159 176.600 -0.022 0.000 1.073 232 K CA 0.756 57.043 56.287 -0.001 0.000 1.105 232 K CB 0.286 32.796 32.500 0.017 0.000 0.881 232 K HN 0.147 nan 8.250 nan 0.000 0.475 233 K N 4.533 124.915 120.400 -0.030 0.000 2.259 233 K HA 0.349 4.608 4.320 -0.101 0.000 0.252 233 K C -2.169 174.406 176.600 -0.041 0.000 0.936 233 K CA -1.864 54.400 56.287 -0.039 0.000 0.810 233 K CB 1.385 33.862 32.500 -0.039 0.000 1.143 233 K HN 0.532 nan 8.250 nan 0.000 0.427 234 P HA 0.035 nan 4.420 nan 0.000 0.267 234 P C -0.732 176.534 177.300 -0.057 0.000 1.205 234 P CA -0.109 62.963 63.100 -0.047 0.000 0.765 234 P CB 1.030 32.695 31.700 -0.059 0.000 0.828 235 S N 2.983 118.658 115.700 -0.043 0.000 2.489 235 S HA 0.449 4.859 4.470 -0.101 0.000 0.291 235 S C -1.667 172.912 174.600 -0.035 0.000 1.151 235 S CA -1.677 56.491 58.200 -0.053 0.000 1.082 235 S CB 1.132 64.294 63.200 -0.063 0.000 1.019 235 S HN 0.244 nan 8.310 nan 0.000 0.492 236 P HA 0.134 nan 4.420 nan 0.000 0.224 236 P C 0.982 178.290 177.300 0.014 0.000 1.157 236 P CA 0.532 63.565 63.100 -0.111 0.000 0.799 236 P CB 0.011 31.378 31.700 -0.555 0.000 0.809 237 c N 0.351 118.965 118.600 0.023 0.000 2.432 237 c HA -0.070 4.440 4.570 -0.101 0.000 0.282 237 c C 2.275 176.408 174.090 0.071 0.000 1.388 237 c CA 0.987 57.382 56.329 0.110 0.000 1.777 237 c CB -1.651 40.906 42.510 0.078 0.000 1.882 237 c HN 0.422 nan 8.230 nan 0.000 0.520 238 E N -0.580 119.638 120.200 0.031 0.000 2.415 238 E HA -0.016 4.273 4.350 -0.101 0.000 0.197 238 E C 1.725 178.345 176.600 0.034 0.000 1.007 238 E CA 0.156 56.553 56.400 -0.005 0.000 0.890 238 E CB -0.450 29.213 29.700 -0.062 0.000 0.891 238 E HN 0.572 nan 8.360 nan 0.000 0.496 239 F N 3.021 122.954 119.950 -0.027 0.000 2.206 239 F HA -0.009 4.458 4.527 -0.101 0.000 0.298 239 F C 1.935 177.743 175.800 0.012 0.000 1.090 239 F CA 1.055 59.060 58.000 0.008 0.000 1.323 239 F CB 0.030 39.071 39.000 0.068 0.000 1.028 239 F HN 0.062 nan 8.300 nan 0.000 0.492 240 I N -0.973 119.606 120.570 0.016 0.000 2.916 240 I HA -0.010 4.099 4.170 -0.101 0.000 0.267 240 I C 0.125 176.182 176.117 -0.101 0.000 1.263 240 I CA 1.032 62.303 61.300 -0.047 0.000 1.471 240 I CB -0.722 37.313 38.000 0.060 0.000 1.089 240 I HN 0.211 nan 8.210 nan 0.000 0.468 241 N N 0.378 118.984 118.700 -0.156 0.000 2.946 241 N HA 0.045 4.725 4.740 -0.101 0.000 0.213 241 N C 0.643 175.995 175.510 -0.264 0.000 1.440 241 N CA 0.505 53.393 53.050 -0.270 0.000 0.745 241 N CB 0.321 38.509 38.487 -0.498 0.000 1.471 241 N HN 0.248 nan 8.380 nan 0.000 0.569 242 T N -2.321 112.089 114.554 -0.240 0.000 2.996 242 T HA -0.108 4.181 4.350 -0.101 0.000 0.271 242 T C 1.349 175.943 174.700 -0.177 0.000 1.126 242 T CA 1.594 63.583 62.100 -0.185 0.000 1.103 242 T CB -0.128 68.639 68.868 -0.168 0.000 0.870 242 T HN 0.262 nan 8.240 nan 0.000 0.528 243 T N 1.320 115.743 114.554 -0.219 0.000 2.976 243 T HA 0.365 4.654 4.350 -0.101 0.000 0.257 243 T C 2.455 177.024 174.700 -0.220 0.000 1.051 243 T CA 0.623 62.602 62.100 -0.201 0.000 1.141 243 T CB -0.378 68.363 68.868 -0.211 0.000 0.881 243 T HN 0.561 nan 8.240 nan 0.000 0.461 244 A N 1.101 123.735 122.820 -0.309 0.000 1.970 244 A HA 0.150 4.409 4.320 -0.101 0.000 0.216 244 A C 1.279 178.758 177.584 -0.174 0.000 1.170 244 A CA 0.541 52.407 52.037 -0.285 0.000 0.645 244 A CB -0.412 18.291 19.000 -0.496 0.000 0.816 244 A HN 0.436 nan 8.150 nan 0.000 0.447 245 R N -1.173 119.223 120.500 -0.174 0.000 3.225 245 R HA -0.146 4.133 4.340 -0.101 0.000 0.245 245 R C -1.178 175.009 176.300 -0.188 0.000 0.928 245 R CA 0.514 56.523 56.100 -0.151 0.000 0.632 245 R CB -1.757 28.462 30.300 -0.135 0.000 1.038 245 R HN 0.253 nan 8.270 nan 0.000 0.461 246 V N 2.176 121.991 119.914 -0.165 0.000 2.350 246 V HA 0.317 4.377 4.120 -0.101 0.000 0.276 246 V C -1.232 174.664 176.094 -0.331 0.000 1.028 246 V CA -1.422 60.715 62.300 -0.273 0.000 0.860 246 V CB 1.472 33.263 31.823 -0.053 0.000 0.990 246 V HN 0.198 nan 8.190 nan 0.000 0.453 247 P HA 0.171 nan 4.420 nan 0.000 0.275 247 P C -0.096 177.015 177.300 -0.315 0.000 1.266 247 P CA -0.404 62.462 63.100 -0.390 0.000 0.793 247 P CB 0.815 32.253 31.700 -0.436 0.000 1.074 248 c N -0.194 118.315 118.600 -0.152 0.000 2.649 248 c HA 0.287 4.796 4.570 -0.101 0.000 0.377 248 c C 0.963 174.987 174.090 -0.110 0.000 1.321 248 c CA -0.138 56.127 56.329 -0.108 0.000 2.368 248 c CB -1.246 41.313 42.510 0.082 0.000 2.597 248 c HN 0.391 nan 8.230 nan 0.000 0.678 249 F N 1.015 121.021 119.950 0.092 0.000 2.375 249 F HA 0.445 4.914 4.527 -0.096 0.000 0.333 249 F C 0.302 176.057 175.800 -0.074 0.000 1.104 249 F CA -0.693 57.314 58.000 0.011 0.000 1.149 249 F CB 0.619 39.567 39.000 -0.086 0.000 1.190 249 F HN 0.275 nan 8.300 nan 0.000 0.533 250 L N 3.376 124.664 121.223 0.109 0.000 2.257 250 L HA 0.746 5.025 4.340 -0.101 0.000 0.290 250 L C -0.453 176.329 176.870 -0.147 0.000 1.044 250 L CA -0.117 54.687 54.840 -0.060 0.000 0.810 250 L CB -0.087 41.949 42.059 -0.038 0.000 1.193 250 L HN 0.673 nan 8.230 nan 0.000 0.425 251 A N 3.247 125.900 122.820 -0.278 0.000 2.524 251 A HA 0.670 4.930 4.320 -0.101 0.000 0.286 251 A C 0.915 178.306 177.584 -0.321 0.000 1.203 251 A CA -0.155 51.700 52.037 -0.302 0.000 0.736 251 A CB 0.544 19.277 19.000 -0.445 0.000 1.322 251 A HN 0.802 nan 8.150 nan 0.000 0.424 252 G N -1.001 107.675 108.800 -0.206 0.000 2.501 252 G HA2 0.135 4.035 3.960 -0.101 0.000 0.220 252 G HA3 0.135 4.035 3.960 -0.101 0.000 0.220 252 G C 0.165 174.993 174.900 -0.120 0.000 1.114 252 G CA 1.578 46.605 45.100 -0.122 0.000 0.757 252 G HN 0.821 nan 8.290 nan 0.000 0.559 253 D N -2.443 117.845 120.400 -0.186 0.000 2.646 253 D HA 0.464 5.043 4.640 -0.101 0.000 0.245 253 D C 0.391 176.510 176.300 -0.301 0.000 1.099 253 D CA -0.866 53.050 54.000 -0.140 0.000 0.849 253 D CB 1.113 41.911 40.800 -0.004 0.000 1.448 253 D HN -0.105 nan 8.370 nan 0.000 0.489 254 F N 1.284 121.099 119.950 -0.226 0.000 2.604 254 F HA 0.122 4.589 4.527 -0.100 0.000 0.298 254 F C 1.905 177.592 175.800 -0.189 0.000 1.131 254 F CA 0.483 58.374 58.000 -0.182 0.000 1.457 254 F CB -0.015 38.912 39.000 -0.122 0.000 1.095 254 F HN 0.280 nan 8.300 nan 0.000 0.574 255 R N -0.264 120.137 120.500 -0.165 0.000 2.317 255 R HA 0.253 4.532 4.340 -0.101 0.000 0.208 255 R C 2.215 178.492 176.300 -0.038 0.000 0.914 255 R CA 0.496 56.518 56.100 -0.130 0.000 1.060 255 R CB -0.315 29.768 30.300 -0.361 0.000 1.015 255 R HN 0.155 nan 8.270 nan 0.000 0.498 256 A N 0.900 123.653 122.820 -0.112 0.000 2.009 256 A HA -0.214 4.046 4.320 -0.101 0.000 0.222 256 A C 1.763 179.312 177.584 -0.057 0.000 1.175 256 A CA 1.947 53.859 52.037 -0.209 0.000 0.651 256 A CB -0.241 18.354 19.000 -0.675 0.000 0.815 256 A HN 0.230 nan 8.150 nan 0.000 0.459 257 S N -0.977 114.696 115.700 -0.045 0.000 2.572 257 S HA 0.075 4.485 4.470 -0.101 0.000 0.228 257 S C 1.423 175.735 174.600 -0.481 0.000 0.963 257 S CA 0.176 58.337 58.200 -0.066 0.000 0.939 257 S CB 0.186 63.464 63.200 0.129 0.000 0.804 257 S HN 0.664 nan 8.310 nan 0.000 0.480 258 E N 2.111 121.997 120.200 -0.522 0.000 2.097 258 E HA -0.213 4.076 4.350 -0.101 0.000 0.196 258 E C 0.414 176.802 176.600 -0.353 0.000 1.000 258 E CA 1.330 57.302 56.400 -0.713 0.000 0.804 258 E CB 0.156 29.689 29.700 -0.278 0.000 0.740 258 E HN 0.740 nan 8.360 nan 0.000 0.454 259 Q N -1.483 118.243 119.800 -0.124 0.000 2.377 259 Q HA 0.308 4.588 4.340 -0.101 0.000 0.279 259 Q C 0.602 176.598 176.000 -0.007 0.000 1.049 259 Q CA -0.356 55.465 55.803 0.030 0.000 0.825 259 Q CB 0.753 29.581 28.738 0.149 0.000 1.401 259 Q HN 0.024 nan 8.270 nan 0.000 0.404 260 I N 0.779 121.338 120.570 -0.019 0.000 2.315 260 I HA -0.233 3.877 4.170 -0.101 0.000 0.251 260 I C 0.536 176.647 176.117 -0.010 0.000 1.125 260 I CA 1.281 62.568 61.300 -0.023 0.000 1.392 260 I CB 0.202 38.154 38.000 -0.079 0.000 1.065 260 I HN 0.791 nan 8.210 nan 0.000 0.424 261 L N -0.237 120.982 121.223 -0.007 0.000 2.313 261 L HA -0.100 4.179 4.340 -0.101 0.000 0.214 261 L C 1.972 178.849 176.870 0.012 0.000 1.119 261 L CA 1.271 56.114 54.840 0.004 0.000 0.809 261 L CB -0.960 41.105 42.059 0.011 0.000 0.933 261 L HN 0.311 nan 8.230 nan 0.000 0.449 262 L N -0.623 120.606 121.223 0.011 0.000 2.179 262 L HA 0.092 4.371 4.340 -0.101 0.000 0.208 262 L C 2.353 179.284 176.870 0.103 0.000 1.096 262 L CA 1.652 56.505 54.840 0.021 0.000 0.779 262 L CB -0.711 41.353 42.059 0.007 0.000 0.922 262 L HN 0.126 nan 8.230 nan 0.000 0.443 263 A N -1.591 121.274 122.820 0.074 0.000 1.970 263 A HA -0.079 4.181 4.320 -0.101 0.000 0.216 263 A C 2.185 179.763 177.584 -0.010 0.000 1.170 263 A CA 1.734 53.809 52.037 0.064 0.000 0.645 263 A CB -0.927 18.145 19.000 0.121 0.000 0.816 263 A HN 0.452 nan 8.150 nan 0.000 0.447 264 T N 0.284 114.837 114.554 -0.002 0.000 2.777 264 T HA 0.009 4.299 4.350 -0.101 0.000 0.266 264 T C 2.254 176.959 174.700 0.007 0.000 1.040 264 T CA 1.446 63.535 62.100 -0.017 0.000 1.141 264 T CB -0.374 68.492 68.868 -0.003 0.000 0.868 264 T HN 0.563 nan 8.240 nan 0.000 0.444 265 A N 1.432 124.276 122.820 0.039 0.000 1.877 265 A HA -0.198 4.061 4.320 -0.101 0.000 0.216 265 A C 2.123 179.703 177.584 -0.006 0.000 1.186 265 A CA 1.481 53.554 52.037 0.061 0.000 0.620 265 A CB -0.971 18.052 19.000 0.039 0.000 0.822 265 A HN 0.528 nan 8.150 nan 0.000 0.443 266 H N -0.284 118.752 119.070 -0.057 0.000 2.353 266 H HA -0.115 4.382 4.556 -0.098 0.000 0.298 266 H C 2.319 177.558 175.328 -0.149 0.000 1.103 266 H CA 2.098 58.082 56.048 -0.107 0.000 1.293 266 H CB -0.443 29.240 29.762 -0.130 0.000 1.372 266 H HN 0.486 nan 8.280 nan 0.000 0.501 267 T N 1.297 115.819 114.554 -0.053 0.000 2.746 267 T HA -0.115 4.175 4.350 -0.101 0.000 0.267 267 T C 2.224 176.854 174.700 -0.117 0.000 1.039 267 T CA 0.618 62.636 62.100 -0.137 0.000 1.142 267 T CB -0.317 68.449 68.868 -0.171 0.000 0.866 267 T HN 0.027 nan 8.240 nan 0.000 0.444 268 L N 0.777 121.946 121.223 -0.090 0.000 2.042 268 L HA 0.012 4.291 4.340 -0.101 0.000 0.210 268 L C 2.267 179.051 176.870 -0.144 0.000 1.076 268 L CA 1.466 56.235 54.840 -0.118 0.000 0.749 268 L CB -0.891 41.121 42.059 -0.078 0.000 0.893 268 L HN 0.294 nan 8.230 nan 0.000 0.432 269 L N -1.867 119.292 121.223 -0.107 0.000 2.027 269 L HA -0.212 4.068 4.340 -0.101 0.000 0.206 269 L C 2.464 179.254 176.870 -0.132 0.000 1.074 269 L CA 0.786 55.551 54.840 -0.124 0.000 0.745 269 L CB -0.660 41.339 42.059 -0.100 0.000 0.898 269 L HN 0.267 nan 8.230 nan 0.000 0.433 270 L N 0.258 121.404 121.223 -0.127 0.000 1.971 270 L HA -0.256 4.023 4.340 -0.101 0.000 0.215 270 L C 2.802 179.629 176.870 -0.073 0.000 1.072 270 L CA 1.819 56.589 54.840 -0.117 0.000 0.758 270 L CB -0.441 41.537 42.059 -0.135 0.000 0.889 270 L HN 0.082 nan 8.230 nan 0.000 0.433 271 R N -0.641 119.794 120.500 -0.109 0.000 2.103 271 R HA -0.242 4.038 4.340 -0.101 0.000 0.242 271 R C 2.261 178.491 176.300 -0.116 0.000 1.142 271 R CA 1.613 57.647 56.100 -0.110 0.000 0.960 271 R CB -0.502 29.711 30.300 -0.144 0.000 0.858 271 R HN 0.450 nan 8.270 nan 0.000 0.439 272 E N 0.091 120.198 120.200 -0.156 0.000 2.150 272 E HA -0.206 4.083 4.350 -0.101 0.000 0.193 272 E C 1.701 178.213 176.600 -0.147 0.000 0.985 272 E CA 1.468 57.745 56.400 -0.205 0.000 0.814 272 E CB -0.125 29.384 29.700 -0.320 0.000 0.752 272 E HN 0.438 nan 8.360 nan 0.000 0.466 273 H N -0.130 118.856 119.070 -0.141 0.000 2.321 273 H HA -0.021 4.476 4.556 -0.098 0.000 0.300 273 H C 1.662 176.956 175.328 -0.057 0.000 1.087 273 H CA 2.166 58.170 56.048 -0.074 0.000 1.319 273 H CB -0.068 29.686 29.762 -0.015 0.000 1.379 273 H HN 0.116 nan 8.280 nan 0.000 0.501 274 N N 0.378 119.080 118.700 0.002 0.000 2.084 274 N HA -0.149 4.531 4.740 -0.101 0.000 0.190 274 N C 2.066 177.514 175.510 -0.103 0.000 1.030 274 N CA 1.164 54.199 53.050 -0.025 0.000 0.849 274 N CB -0.446 38.063 38.487 0.037 0.000 1.012 274 N HN 0.383 nan 8.380 nan 0.000 0.423 275 R N 0.437 120.869 120.500 -0.113 0.000 2.097 275 R HA -0.126 4.153 4.340 -0.101 0.000 0.236 275 R C 1.838 178.040 176.300 -0.163 0.000 1.135 275 R CA 1.273 57.296 56.100 -0.128 0.000 0.934 275 R CB -0.476 29.734 30.300 -0.149 0.000 0.846 275 R HN 0.068 nan 8.270 nan 0.000 0.431 276 L N 0.677 121.770 121.223 -0.217 0.000 2.081 276 L HA -0.153 4.126 4.340 -0.101 0.000 0.212 276 L C 2.426 179.154 176.870 -0.237 0.000 1.080 276 L CA 2.093 56.781 54.840 -0.254 0.000 0.754 276 L CB -1.038 40.839 42.059 -0.303 0.000 0.893 276 L HN 0.366 nan 8.230 nan 0.000 0.433 277 A N 0.012 122.673 122.820 -0.264 0.000 1.873 277 A HA -0.190 4.070 4.320 -0.101 0.000 0.215 277 A C 2.262 179.792 177.584 -0.091 0.000 1.186 277 A CA 1.470 53.390 52.037 -0.196 0.000 0.616 277 A CB -0.441 18.425 19.000 -0.222 0.000 0.823 277 A HN 0.539 nan 8.150 nan 0.000 0.442 278 R N -0.602 119.850 120.500 -0.080 0.000 2.189 278 R HA -0.000 4.279 4.340 -0.101 0.000 0.223 278 R C 1.394 177.656 176.300 -0.062 0.000 1.092 278 R CA 1.169 57.239 56.100 -0.049 0.000 0.989 278 R CB -0.315 29.963 30.300 -0.037 0.000 0.876 278 R HN 0.411 nan 8.270 nan 0.000 0.457 279 E N 1.510 121.656 120.200 -0.090 0.000 2.076 279 E HA -0.032 4.257 4.350 -0.101 0.000 0.190 279 E C 2.159 178.701 176.600 -0.097 0.000 0.979 279 E CA 0.745 57.087 56.400 -0.096 0.000 0.807 279 E CB -0.068 29.558 29.700 -0.125 0.000 0.761 279 E HN 0.351 nan 8.360 nan 0.000 0.454 280 L N 0.972 122.137 121.223 -0.096 0.000 2.141 280 L HA -0.178 4.102 4.340 -0.101 0.000 0.209 280 L C 2.519 179.320 176.870 -0.114 0.000 1.094 280 L CA 0.981 55.770 54.840 -0.085 0.000 0.763 280 L CB -0.221 41.854 42.059 0.028 0.000 0.908 280 L HN 0.034 nan 8.230 nan 0.000 0.437 281 K N 0.948 121.317 120.400 -0.051 0.000 2.057 281 K HA -0.227 4.033 4.320 -0.101 0.000 0.207 281 K C 2.051 178.599 176.600 -0.087 0.000 1.049 281 K CA 1.569 57.829 56.287 -0.045 0.000 0.931 281 K CB -0.145 32.354 32.500 -0.001 0.000 0.714 281 K HN -0.017 nan 8.250 nan 0.000 0.440 282 K N -0.278 120.077 120.400 -0.075 0.000 2.211 282 K HA -0.093 4.167 4.320 -0.101 0.000 0.204 282 K C 1.605 178.155 176.600 -0.084 0.000 1.047 282 K CA 1.441 57.689 56.287 -0.066 0.000 0.935 282 K CB 0.012 32.478 32.500 -0.057 0.000 0.728 282 K HN 0.187 nan 8.250 nan 0.000 0.452 283 L N 0.039 121.183 121.223 -0.131 0.000 2.463 283 L HA 0.070 4.350 4.340 -0.101 0.000 0.219 283 L C -0.017 176.717 176.870 -0.226 0.000 1.088 283 L CA 0.186 54.940 54.840 -0.143 0.000 0.849 283 L CB 0.379 42.361 42.059 -0.128 0.000 1.012 283 L HN 0.029 nan 8.230 nan 0.000 0.468 284 N N -0.646 117.824 118.700 -0.383 0.000 2.750 284 N HA 0.196 4.876 4.740 -0.101 0.000 0.253 284 N C -2.208 173.025 175.510 -0.460 0.000 1.408 284 N CA -0.887 51.779 53.050 -0.640 0.000 0.780 284 N CB 1.337 38.843 38.487 -1.635 0.000 1.191 284 N HN -0.161 nan 8.380 nan 0.000 0.511 285 P HA -0.173 nan 4.420 nan 0.000 0.218 285 P C 1.348 178.705 177.300 0.096 0.000 1.148 285 P CA 1.392 64.508 63.100 0.027 0.000 0.822 285 P CB 0.083 31.829 31.700 0.078 0.000 0.784 286 H N -3.624 115.467 119.070 0.034 0.000 2.462 286 H HA -0.045 4.451 4.556 -0.099 0.000 0.292 286 H C 0.365 175.846 175.328 0.254 0.000 1.049 286 H CA 0.043 56.163 56.048 0.121 0.000 1.334 286 H CB -1.443 28.388 29.762 0.116 0.000 1.404 286 H HN 0.090 nan 8.280 nan 0.000 0.544 287 W N 4.455 125.560 121.300 -0.325 0.000 2.343 287 W HA -0.025 4.567 4.660 -0.113 0.000 0.337 287 W C 0.608 177.095 176.519 -0.054 0.000 1.320 287 W CA -0.176 57.061 57.345 -0.179 0.000 1.290 287 W CB -0.393 28.951 29.460 -0.194 0.000 1.206 287 W HN 0.417 nan 8.180 nan 0.000 0.565 288 N N 0.713 119.496 118.700 0.138 0.000 2.405 288 N HA 0.459 5.138 4.740 -0.101 0.000 0.269 288 N C 1.272 176.814 175.510 0.053 0.000 1.249 288 N CA 0.002 53.100 53.050 0.079 0.000 0.974 288 N CB -0.139 38.373 38.487 0.042 0.000 1.204 288 N HN 0.350 nan 8.380 nan 0.000 0.565 289 G N -0.529 108.294 108.800 0.039 0.000 2.491 289 G HA2 -0.374 3.526 3.960 -0.101 0.000 0.218 289 G HA3 -0.374 3.526 3.960 -0.101 0.000 0.218 289 G C 1.258 176.169 174.900 0.018 0.000 1.180 289 G CA 1.268 46.389 45.100 0.035 0.000 0.774 289 G HN 0.714 nan 8.290 nan 0.000 0.562 290 E N 0.662 120.847 120.200 -0.025 0.000 2.033 290 E HA -0.177 4.113 4.350 -0.101 0.000 0.199 290 E C 2.368 178.915 176.600 -0.089 0.000 1.011 290 E CA 1.741 58.111 56.400 -0.050 0.000 0.815 290 E CB -0.322 29.342 29.700 -0.060 0.000 0.755 290 E HN 0.356 nan 8.360 nan 0.000 0.451 291 K N -0.419 119.884 120.400 -0.163 0.000 2.074 291 K HA -0.124 4.135 4.320 -0.101 0.000 0.209 291 K C 1.959 178.381 176.600 -0.297 0.000 1.048 291 K CA 1.197 57.269 56.287 -0.357 0.000 0.926 291 K CB -0.415 31.736 32.500 -0.582 0.000 0.713 291 K HN 0.139 nan 8.250 nan 0.000 0.444 292 L N 0.129 121.316 121.223 -0.059 0.000 2.046 292 L HA -0.162 4.118 4.340 -0.101 0.000 0.208 292 L C 2.253 179.125 176.870 0.004 0.000 1.077 292 L CA 1.780 56.655 54.840 0.059 0.000 0.747 292 L CB -1.376 40.752 42.059 0.116 0.000 0.896 292 L HN 0.310 nan 8.230 nan 0.000 0.432 293 Y N 0.822 121.069 120.300 -0.090 0.000 2.089 293 Y HA -0.274 4.222 4.550 -0.091 0.000 0.282 293 Y C 2.759 178.551 175.900 -0.180 0.000 1.139 293 Y CA 1.709 59.790 58.100 -0.033 0.000 1.123 293 Y CB -0.142 38.290 38.460 -0.048 0.000 0.980 293 Y HN 0.185 nan 8.280 nan 0.000 0.493 294 Q N 0.316 119.915 119.800 -0.335 0.000 2.096 294 Q HA -0.242 4.038 4.340 -0.101 0.000 0.204 294 Q C 2.185 177.780 176.000 -0.674 0.000 0.982 294 Q CA 2.004 57.344 55.803 -0.771 0.000 0.850 294 Q CB -0.504 27.363 28.738 -1.451 0.000 0.901 294 Q HN 0.535 nan 8.270 nan 0.000 0.422 295 E N 0.466 120.391 120.200 -0.460 0.000 2.047 295 E HA -0.086 4.203 4.350 -0.101 0.000 0.191 295 E C 1.820 178.374 176.600 -0.077 0.000 0.987 295 E CA 1.339 57.660 56.400 -0.132 0.000 0.799 295 E CB -0.281 29.413 29.700 -0.010 0.000 0.752 295 E HN 0.325 nan 8.360 nan 0.000 0.449 296 A N 0.807 123.527 122.820 -0.167 0.000 1.858 296 A HA -0.209 4.051 4.320 -0.101 0.000 0.216 296 A C 2.232 179.743 177.584 -0.122 0.000 1.190 296 A CA 1.951 53.861 52.037 -0.211 0.000 0.617 296 A CB -0.698 18.038 19.000 -0.441 0.000 0.827 296 A HN 0.270 nan 8.150 nan 0.000 0.443 297 R N -0.019 120.356 120.500 -0.208 0.000 2.119 297 R HA -0.231 4.049 4.340 -0.101 0.000 0.246 297 R C 2.174 178.384 176.300 -0.150 0.000 1.146 297 R CA 2.258 58.146 56.100 -0.353 0.000 0.962 297 R CB -0.302 29.352 30.300 -1.076 0.000 0.863 297 R HN 0.525 nan 8.270 nan 0.000 0.442 298 K N 0.149 120.492 120.400 -0.095 0.000 2.155 298 K HA -0.048 4.211 4.320 -0.101 0.000 0.203 298 K C 2.038 178.829 176.600 0.318 0.000 1.052 298 K CA 1.200 57.548 56.287 0.101 0.000 0.948 298 K CB 0.018 32.599 32.500 0.135 0.000 0.728 298 K HN 0.263 nan 8.250 nan 0.000 0.448 299 I N 0.885 121.585 120.570 0.217 0.000 2.202 299 I HA -0.274 3.835 4.170 -0.101 0.000 0.242 299 I C 2.235 178.415 176.117 0.104 0.000 1.091 299 I CA 0.678 62.054 61.300 0.127 0.000 1.368 299 I CB -0.156 37.754 38.000 -0.150 0.000 1.058 299 I HN 0.189 nan 8.210 nan 0.000 0.410 300 L N 1.059 122.343 121.223 0.103 0.000 2.131 300 L HA -0.086 4.193 4.340 -0.101 0.000 0.210 300 L C 2.293 179.327 176.870 0.273 0.000 1.092 300 L CA 1.941 56.880 54.840 0.166 0.000 0.759 300 L CB -0.916 41.259 42.059 0.193 0.000 0.903 300 L HN 0.179 nan 8.230 nan 0.000 0.435 301 G N -1.292 107.653 108.800 0.241 0.000 2.402 301 G HA2 -0.228 3.672 3.960 -0.101 0.000 0.216 301 G HA3 -0.228 3.672 3.960 -0.101 0.000 0.216 301 G C 1.594 176.617 174.900 0.205 0.000 1.162 301 G CA 0.610 45.853 45.100 0.238 0.000 0.777 301 G HN 0.566 nan 8.290 nan 0.000 0.539 302 A N 0.186 123.126 122.820 0.201 0.000 2.015 302 A HA 0.117 4.376 4.320 -0.101 0.000 0.219 302 A C 2.087 179.590 177.584 -0.135 0.000 1.163 302 A CA 1.424 53.483 52.037 0.036 0.000 0.646 302 A CB -0.451 18.591 19.000 0.070 0.000 0.806 302 A HN 0.432 nan 8.150 nan 0.000 0.448 303 F N 0.681 120.570 119.950 -0.101 0.000 2.084 303 F HA -0.103 4.320 4.527 -0.172 0.000 0.296 303 F C 1.923 177.751 175.800 0.047 0.000 1.111 303 F CA 1.737 59.683 58.000 -0.090 0.000 1.224 303 F CB -0.242 38.732 39.000 -0.042 0.000 0.991 303 F HN 0.161 nan 8.300 nan 0.000 0.471 304 I N 0.468 121.171 120.570 0.222 0.000 2.226 304 I HA -0.323 3.787 4.170 -0.101 0.000 0.245 304 I C 2.372 178.656 176.117 0.278 0.000 1.100 304 I CA 1.466 62.970 61.300 0.341 0.000 1.374 304 I CB -0.719 37.529 38.000 0.414 0.000 1.057 304 I HN 0.321 nan 8.210 nan 0.000 0.413 305 Q N 0.592 120.479 119.800 0.144 0.000 2.084 305 Q HA -0.181 4.098 4.340 -0.101 0.000 0.202 305 Q C 2.371 178.437 176.000 0.110 0.000 0.978 305 Q CA 1.500 57.394 55.803 0.151 0.000 0.844 305 Q CB -0.110 28.489 28.738 -0.232 0.000 0.898 305 Q HN 0.562 nan 8.270 nan 0.000 0.426 306 I N 0.630 121.055 120.570 -0.241 0.000 2.133 306 I HA -0.262 3.847 4.170 -0.101 0.000 0.238 306 I C 2.190 178.269 176.117 -0.063 0.000 1.074 306 I CA 0.786 61.920 61.300 -0.278 0.000 1.342 306 I CB -0.339 37.295 38.000 -0.609 0.000 1.053 306 I HN 0.201 nan 8.210 nan 0.000 0.404 307 I N 0.795 121.237 120.570 -0.214 0.000 2.194 307 I HA -0.275 3.835 4.170 -0.101 0.000 0.246 307 I C 2.615 178.787 176.117 0.091 0.000 1.093 307 I CA 1.856 63.035 61.300 -0.202 0.000 1.355 307 I CB -1.799 35.815 38.000 -0.644 0.000 1.046 307 I HN 0.288 nan 8.210 nan 0.000 0.413 308 T N 0.905 115.689 114.554 0.384 0.000 2.674 308 T HA -0.137 4.152 4.350 -0.101 0.000 0.265 308 T C 1.768 176.677 174.700 0.349 0.000 1.039 308 T CA 1.475 63.918 62.100 0.573 0.000 1.150 308 T CB -0.346 68.925 68.868 0.672 0.000 0.864 308 T HN 0.095 nan 8.240 nan 0.000 0.427 309 F N 0.716 120.822 119.950 0.260 0.000 2.416 309 F HA 0.251 4.716 4.527 -0.103 0.000 0.296 309 F C 2.527 178.435 175.800 0.179 0.000 1.099 309 F CA 0.395 58.535 58.000 0.235 0.000 1.427 309 F CB -0.141 39.112 39.000 0.422 0.000 1.079 309 F HN -0.050 nan 8.300 nan 0.000 0.536 310 R N 0.056 120.746 120.500 0.316 0.000 2.090 310 R HA -0.042 4.238 4.340 -0.101 0.000 0.219 310 R C 0.968 177.346 176.300 0.131 0.000 1.100 310 R CA 1.519 57.743 56.100 0.207 0.000 0.991 310 R CB -0.007 30.390 30.300 0.162 0.000 0.893 310 R HN 0.119 nan 8.270 nan 0.000 0.443 311 D N -1.155 119.318 120.400 0.123 0.000 2.423 311 D HA -0.046 4.534 4.640 -0.101 0.000 0.208 311 D C 0.972 177.259 176.300 -0.022 0.000 1.068 311 D CA 0.369 54.442 54.000 0.122 0.000 0.860 311 D CB 0.200 41.169 40.800 0.282 0.000 0.992 311 D HN 0.201 nan 8.370 nan 0.000 0.504 312 Y N 1.478 121.653 120.300 -0.207 0.000 2.314 312 Y HA 0.177 4.666 4.550 -0.102 0.000 0.294 312 Y C 2.048 177.856 175.900 -0.153 0.000 1.139 312 Y CA 0.624 58.535 58.100 -0.314 0.000 1.162 312 Y CB -0.323 38.039 38.460 -0.163 0.000 1.121 312 Y HN -0.250 nan 8.280 nan 0.000 0.529 313 L N 0.682 121.712 121.223 -0.321 0.000 2.083 313 L HA -0.129 4.150 4.340 -0.101 0.000 0.209 313 L C -0.705 175.981 176.870 -0.308 0.000 1.083 313 L CA 1.144 55.697 54.840 -0.479 0.000 0.752 313 L CB -1.730 39.979 42.059 -0.585 0.000 0.899 313 L HN 0.196 nan 8.230 nan 0.000 0.433 314 P HA -0.163 nan 4.420 nan 0.000 0.221 314 P C 1.306 178.527 177.300 -0.132 0.000 1.145 314 P CA 1.331 64.364 63.100 -0.111 0.000 0.795 314 P CB -0.042 31.628 31.700 -0.050 0.000 0.775 315 I N -6.231 114.232 120.570 -0.179 0.000 3.914 315 I HA 0.185 4.295 4.170 -0.101 0.000 0.333 315 I C 0.789 176.819 176.117 -0.145 0.000 1.449 315 I CA -0.051 61.144 61.300 -0.174 0.000 1.135 315 I CB 0.116 37.986 38.000 -0.217 0.000 1.073 315 I HN -0.249 nan 8.210 nan 0.000 0.401 316 V N 0.298 120.089 119.914 -0.204 0.000 2.840 316 V HA 0.069 4.128 4.120 -0.101 0.000 0.234 316 V C 1.996 177.968 176.094 -0.205 0.000 1.159 316 V CA 0.595 62.767 62.300 -0.213 0.000 1.194 316 V CB 0.192 31.759 31.823 -0.427 0.000 0.971 316 V HN 0.265 nan 8.190 nan 0.000 0.494 317 L N 0.807 121.918 121.223 -0.187 0.000 2.201 317 L HA 0.261 4.540 4.340 -0.101 0.000 0.212 317 L C 1.688 178.529 176.870 -0.049 0.000 1.105 317 L CA 1.878 56.663 54.840 -0.093 0.000 0.775 317 L CB -1.433 40.602 42.059 -0.041 0.000 0.913 317 L HN 0.549 nan 8.230 nan 0.000 0.440 318 G N -0.531 108.226 108.800 -0.072 0.000 2.574 318 G HA2 -0.413 3.486 3.960 -0.101 0.000 0.286 318 G HA3 -0.413 3.486 3.960 -0.101 0.000 0.286 318 G C 1.020 175.905 174.900 -0.023 0.000 1.212 318 G CA 0.959 46.027 45.100 -0.052 0.000 0.979 318 G HN 0.451 nan 8.290 nan 0.000 0.557 319 S N 0.262 115.953 115.700 -0.016 0.000 2.547 319 S HA 0.071 4.481 4.470 -0.101 0.000 0.235 319 S C 1.544 176.146 174.600 0.004 0.000 0.980 319 S CA 1.804 59.998 58.200 -0.010 0.000 0.941 319 S CB 0.135 63.326 63.200 -0.015 0.000 0.763 319 S HN 0.587 nan 8.310 nan 0.000 0.532 320 E N 0.683 120.907 120.200 0.040 0.000 2.371 320 E HA 0.099 4.388 4.350 -0.101 0.000 0.194 320 E C 1.538 178.221 176.600 0.139 0.000 1.012 320 E CA 0.212 56.673 56.400 0.101 0.000 0.860 320 E CB -0.356 29.486 29.700 0.237 0.000 0.811 320 E HN 0.529 nan 8.360 nan 0.000 0.502 321 M N 1.515 121.168 119.600 0.089 0.000 2.226 321 M HA -0.309 4.110 4.480 -0.101 0.000 0.257 321 M C 1.912 178.264 176.300 0.088 0.000 1.070 321 M CA 2.007 57.357 55.300 0.084 0.000 1.087 321 M CB -0.397 32.218 32.600 0.025 0.000 1.278 321 M HN -0.042 nan 8.290 nan 0.000 0.426 322 Q N -0.859 118.959 119.800 0.030 0.000 2.291 322 Q HA -0.205 4.075 4.340 -0.101 0.000 0.206 322 Q C 2.009 177.967 176.000 -0.070 0.000 0.976 322 Q CA 1.647 57.452 55.803 0.003 0.000 0.875 322 Q CB -0.330 28.401 28.738 -0.011 0.000 0.927 322 Q HN 0.636 nan 8.270 nan 0.000 0.450 323 K N -0.509 119.787 120.400 -0.174 0.000 2.288 323 K HA -0.150 4.109 4.320 -0.101 0.000 0.201 323 K C 0.749 176.968 176.600 -0.635 0.000 1.048 323 K CA 1.013 57.031 56.287 -0.448 0.000 0.956 323 K CB 0.157 32.291 32.500 -0.609 0.000 0.746 323 K HN 0.252 nan 8.250 nan 0.000 0.461 324 W N 0.065 121.372 121.300 0.013 0.000 3.178 324 W HA 0.331 4.929 4.660 -0.103 0.000 0.241 324 W C 0.182 176.731 176.519 0.050 0.000 1.122 324 W CA -0.576 56.784 57.345 0.025 0.000 1.595 324 W CB 0.712 30.194 29.460 0.037 0.000 0.918 324 W HN -0.232 nan 8.180 nan 0.000 0.700 325 I N 2.626 123.358 120.570 0.271 0.000 2.442 325 I HA 0.263 4.373 4.170 -0.101 0.000 0.279 325 I C -2.327 173.887 176.117 0.163 0.000 1.081 325 I CA -1.833 59.604 61.300 0.228 0.000 1.197 325 I CB 0.246 38.394 38.000 0.246 0.000 1.394 325 I HN -0.452 nan 8.210 nan 0.000 0.488 326 P HA 0.295 nan 4.420 nan 0.000 0.275 326 P C -2.427 174.947 177.300 0.124 0.000 1.266 326 P CA -1.246 61.906 63.100 0.086 0.000 0.793 326 P CB -0.322 31.405 31.700 0.045 0.000 1.074 327 P HA -0.042 nan 4.420 nan 0.000 0.265 327 P C -0.594 176.804 177.300 0.162 0.000 1.187 327 P CA 0.242 63.426 63.100 0.140 0.000 0.766 327 P CB -0.026 31.730 31.700 0.094 0.000 0.820 328 Y N 2.634 122.968 120.300 0.058 0.000 2.702 328 Y HA -0.042 4.451 4.550 -0.096 0.000 0.336 328 Y C 1.241 177.145 175.900 0.006 0.000 1.235 328 Y CA 0.884 58.992 58.100 0.014 0.000 1.492 328 Y CB 0.435 38.915 38.460 0.033 0.000 1.308 328 Y HN 0.416 nan 8.280 nan 0.000 0.589 329 Q N 3.815 123.259 119.800 -0.594 0.000 2.103 329 Q HA 0.300 4.579 4.340 -0.101 0.000 0.219 329 Q C 0.110 175.738 176.000 -0.620 0.000 0.784 329 Q CA 0.409 55.927 55.803 -0.475 0.000 1.014 329 Q CB 0.953 29.554 28.738 -0.228 0.000 1.183 329 Q HN 1.040 nan 8.270 nan 0.000 0.469 330 G N 1.275 109.333 108.800 -1.236 0.000 2.570 330 G HA2 -0.243 3.657 3.960 -0.101 0.000 0.686 330 G HA3 -0.243 3.657 3.960 -0.101 0.000 0.686 330 G C -1.303 173.469 174.900 -0.215 0.000 1.257 330 G CA -0.935 43.794 45.100 -0.618 0.000 0.846 330 G HN 0.149 nan 8.290 nan 0.000 0.627 331 Y N 1.792 122.062 120.300 -0.051 0.000 2.620 331 Y HA 0.489 4.979 4.550 -0.099 0.000 0.330 331 Y C 0.418 176.308 175.900 -0.017 0.000 1.186 331 Y CA -0.331 57.790 58.100 0.035 0.000 1.467 331 Y CB 0.836 39.318 38.460 0.037 0.000 1.262 331 Y HN 0.618 nan 8.280 nan 0.000 0.550 332 N N 6.012 124.462 118.700 -0.415 0.000 2.564 332 N HA 0.055 4.735 4.740 -0.101 0.000 0.248 332 N C 0.360 175.453 175.510 -0.695 0.000 0.986 332 N CA -0.314 52.464 53.050 -0.452 0.000 0.921 332 N CB 0.297 38.674 38.487 -0.184 0.000 1.136 332 N HN 0.952 nan 8.380 nan 0.000 0.509 333 N N 1.394 119.577 118.700 -0.862 0.000 2.519 333 N HA -0.099 4.581 4.740 -0.101 0.000 0.186 333 N C 0.356 175.753 175.510 -0.188 0.000 1.062 333 N CA 0.505 53.216 53.050 -0.565 0.000 0.910 333 N CB 0.228 38.521 38.487 -0.323 0.000 0.958 333 N HN 0.158 nan 8.380 nan 0.000 0.445 334 S N 0.172 115.776 115.700 -0.160 0.000 2.528 334 S HA 0.130 4.540 4.470 -0.101 0.000 0.219 334 S C 0.611 175.200 174.600 -0.018 0.000 0.985 334 S CA -0.352 57.810 58.200 -0.062 0.000 0.914 334 S CB 0.284 63.449 63.200 -0.057 0.000 0.776 334 S HN 0.118 nan 8.310 nan 0.000 0.526 335 V N 3.373 123.274 119.914 -0.021 0.000 2.508 335 V HA 0.126 4.186 4.120 -0.101 0.000 0.281 335 V C 0.079 176.226 176.094 0.089 0.000 1.041 335 V CA -0.686 61.636 62.300 0.035 0.000 1.016 335 V CB 0.999 32.846 31.823 0.041 0.000 0.984 335 V HN 0.225 nan 8.190 nan 0.000 0.478 336 D N 8.081 128.542 120.400 0.101 0.000 2.339 336 D HA 0.181 4.761 4.640 -0.101 0.000 0.256 336 D C -1.357 175.019 176.300 0.127 0.000 1.214 336 D CA -1.969 52.106 54.000 0.126 0.000 0.877 336 D CB 1.576 42.464 40.800 0.146 0.000 1.111 336 D HN 0.304 nan 8.370 nan 0.000 0.478 337 P HA 0.077 nan 4.420 nan 0.000 0.257 337 P C -0.048 177.187 177.300 -0.109 0.000 1.281 337 P CA -0.137 62.979 63.100 0.027 0.000 0.826 337 P CB 0.325 32.076 31.700 0.084 0.000 1.237 338 R N 0.524 121.003 120.500 -0.035 0.000 2.543 338 R HA 0.244 4.524 4.340 -0.101 0.000 0.277 338 R C 0.580 176.823 176.300 -0.094 0.000 1.074 338 R CA -0.616 55.440 56.100 -0.072 0.000 1.076 338 R CB 0.456 30.755 30.300 -0.003 0.000 0.993 338 R HN 0.025 nan 8.270 nan 0.000 0.459 339 I N 2.718 123.195 120.570 -0.155 0.000 2.533 339 I HA -0.038 4.072 4.170 -0.101 0.000 0.284 339 I C 1.062 177.034 176.117 -0.240 0.000 1.109 339 I CA 0.308 61.473 61.300 -0.226 0.000 1.412 339 I CB 0.575 38.492 38.000 -0.138 0.000 1.396 339 I HN 0.698 nan 8.210 nan 0.000 0.543 340 S N 5.445 120.858 115.700 -0.478 0.000 2.593 340 S HA 0.113 4.522 4.470 -0.101 0.000 0.269 340 S C 1.121 175.506 174.600 -0.359 0.000 1.334 340 S CA -0.546 57.228 58.200 -0.708 0.000 1.015 340 S CB 1.229 63.278 63.200 -1.919 0.000 0.912 340 S HN 0.647 nan 8.310 nan 0.000 0.541 341 N N 0.743 119.310 118.700 -0.222 0.000 2.120 341 N HA -0.135 4.544 4.740 -0.101 0.000 0.188 341 N C 1.671 177.192 175.510 0.018 0.000 1.024 341 N CA 1.506 54.558 53.050 0.003 0.000 0.852 341 N CB -0.615 37.958 38.487 0.144 0.000 1.003 341 N HN 0.563 nan 8.380 nan 0.000 0.424 342 V N 0.794 120.642 119.914 -0.110 0.000 2.759 342 V HA -0.155 3.904 4.120 -0.101 0.000 0.256 342 V C 2.015 178.006 176.094 -0.170 0.000 1.080 342 V CA 1.193 63.404 62.300 -0.149 0.000 1.101 342 V CB -0.796 30.623 31.823 -0.673 0.000 0.698 342 V HN 0.259 nan 8.190 nan 0.000 0.477 343 F N 2.152 121.865 119.950 -0.395 0.000 2.102 343 F HA -0.191 4.275 4.527 -0.102 0.000 0.298 343 F C 2.683 178.386 175.800 -0.162 0.000 1.105 343 F CA 2.414 60.237 58.000 -0.294 0.000 1.239 343 F CB -0.941 37.839 39.000 -0.366 0.000 0.991 343 F HN 0.380 nan 8.300 nan 0.000 0.474 344 T N -2.129 112.273 114.554 -0.253 0.000 2.946 344 T HA -0.237 4.053 4.350 -0.101 0.000 0.271 344 T C 1.672 175.988 174.700 -0.641 0.000 1.104 344 T CA 1.638 63.468 62.100 -0.450 0.000 1.114 344 T CB -1.117 67.470 68.868 -0.468 0.000 0.867 344 T HN 0.352 nan 8.240 nan 0.000 0.513 345 F N 0.671 120.503 119.950 -0.195 0.000 2.559 345 F HA 0.557 5.024 4.527 -0.099 0.000 0.286 345 F C 2.776 178.559 175.800 -0.028 0.000 1.108 345 F CA 0.004 57.943 58.000 -0.101 0.000 1.436 345 F CB -0.342 38.620 39.000 -0.064 0.000 1.130 345 F HN 0.190 nan 8.300 nan 0.000 0.584 346 A N 0.029 122.852 122.820 0.004 0.000 1.930 346 A HA -0.203 4.056 4.320 -0.101 0.000 0.217 346 A C 1.890 179.532 177.584 0.097 0.000 1.175 346 A CA 1.143 53.191 52.037 0.018 0.000 0.627 346 A CB -1.086 17.868 19.000 -0.077 0.000 0.815 346 A HN 0.355 nan 8.150 nan 0.000 0.443 347 F N 0.896 120.592 119.950 -0.425 0.000 2.641 347 F HA 0.046 4.511 4.527 -0.104 0.000 0.298 347 F C 1.818 177.319 175.800 -0.498 0.000 1.146 347 F CA 0.279 58.014 58.000 -0.443 0.000 1.464 347 F CB -0.415 38.105 39.000 -0.800 0.000 1.101 347 F HN 0.201 nan 8.300 nan 0.000 0.585 348 R N -0.132 120.292 120.500 -0.127 0.000 2.328 348 R HA -0.093 4.187 4.340 -0.101 0.000 0.206 348 R C 1.803 178.044 176.300 -0.099 0.000 0.990 348 R CA 0.380 56.285 56.100 -0.325 0.000 1.085 348 R CB -0.785 29.418 30.300 -0.162 0.000 0.998 348 R HN 0.387 nan 8.270 nan 0.000 0.484 349 F N -1.484 118.519 119.950 0.088 0.000 2.333 349 F HA 0.085 4.550 4.527 -0.103 0.000 0.300 349 F C 1.884 177.739 175.800 0.092 0.000 1.083 349 F CA 0.699 58.753 58.000 0.089 0.000 1.395 349 F CB -0.876 38.168 39.000 0.073 0.000 1.056 349 F HN -0.139 nan 8.300 nan 0.000 0.529 350 G N -0.087 108.306 108.800 -0.679 0.000 2.448 350 G HA2 -0.237 3.662 3.960 -0.101 0.000 0.219 350 G HA3 -0.237 3.662 3.960 -0.101 0.000 0.219 350 G C 1.260 176.167 174.900 0.011 0.000 1.127 350 G CA 0.965 45.821 45.100 -0.407 0.000 0.766 350 G HN 0.620 nan 8.290 nan 0.000 0.552 351 H N -0.359 118.743 119.070 0.054 0.000 2.489 351 H HA 0.080 4.575 4.556 -0.101 0.000 0.293 351 H C 2.146 177.605 175.328 0.218 0.000 1.066 351 H CA 0.647 56.787 56.048 0.152 0.000 1.305 351 H CB 0.018 29.922 29.762 0.238 0.000 1.386 351 H HN 0.358 nan 8.280 nan 0.000 0.551 352 M N 0.138 119.944 119.600 0.344 0.000 2.494 352 M HA 0.019 4.438 4.480 -0.101 0.000 0.232 352 M C 0.528 176.976 176.300 0.247 0.000 1.137 352 M CA 0.693 56.163 55.300 0.284 0.000 1.012 352 M CB 0.549 33.282 32.600 0.220 0.000 1.567 352 M HN 0.253 nan 8.290 nan 0.000 0.486 353 E N 0.047 120.393 120.200 0.245 0.000 2.526 353 E HA 0.145 4.434 4.350 -0.101 0.000 0.208 353 E C -0.274 176.453 176.600 0.211 0.000 0.997 353 E CA -0.112 56.431 56.400 0.238 0.000 0.961 353 E CB 1.096 30.954 29.700 0.264 0.000 1.030 353 E HN 0.148 nan 8.360 nan 0.000 0.483 354 V N 5.001 125.038 119.914 0.206 0.000 2.385 354 V HA 0.161 4.221 4.120 -0.101 0.000 0.269 354 V C -1.797 174.412 176.094 0.191 0.000 1.043 354 V CA -1.547 60.864 62.300 0.185 0.000 0.906 354 V CB 0.598 32.533 31.823 0.185 0.000 0.995 354 V HN 0.064 nan 8.190 nan 0.000 0.467 355 P HA 0.158 nan 4.420 nan 0.000 0.275 355 P C 0.693 178.079 177.300 0.143 0.000 1.266 355 P CA -0.353 62.844 63.100 0.162 0.000 0.793 355 P CB 0.916 32.700 31.700 0.139 0.000 1.074 356 S N -1.726 114.056 115.700 0.136 0.000 2.522 356 S HA 0.039 4.449 4.470 -0.101 0.000 0.227 356 S C 0.912 175.550 174.600 0.064 0.000 0.986 356 S CA 0.506 58.770 58.200 0.108 0.000 0.929 356 S CB -1.071 62.194 63.200 0.108 0.000 0.769 356 S HN 0.764 nan 8.310 nan 0.000 0.529 357 T N -1.577 113.012 114.554 0.058 0.000 2.883 357 T HA 0.734 5.023 4.350 -0.101 0.000 0.296 357 T C -1.068 173.644 174.700 0.021 0.000 1.117 357 T CA -0.828 61.286 62.100 0.024 0.000 1.006 357 T CB 1.861 70.748 68.868 0.031 0.000 1.191 357 T HN -0.021 nan 8.240 nan 0.000 0.508 358 V N 1.464 121.373 119.914 -0.008 0.000 2.638 358 V HA 0.684 4.743 4.120 -0.101 0.000 0.306 358 V C -0.236 175.853 176.094 -0.008 0.000 1.052 358 V CA -0.679 61.616 62.300 -0.008 0.000 0.885 358 V CB 1.950 33.750 31.823 -0.040 0.000 0.999 358 V HN 1.138 nan 8.190 nan 0.000 0.424 359 S N 3.531 119.237 115.700 0.009 0.000 2.664 359 S HA 0.820 5.230 4.470 -0.101 0.000 0.304 359 S C -0.584 174.012 174.600 -0.007 0.000 1.099 359 S CA -0.885 57.325 58.200 0.017 0.000 1.003 359 S CB 1.830 65.053 63.200 0.040 0.000 1.092 359 S HN 0.690 nan 8.310 nan 0.000 0.525 360 R N 0.942 121.448 120.500 0.010 0.000 2.561 360 R HA 0.661 4.940 4.340 -0.101 0.000 0.297 360 R C -1.285 175.018 176.300 0.006 0.000 0.969 360 R CA -0.329 55.742 56.100 -0.048 0.000 0.879 360 R CB 0.969 31.236 30.300 -0.055 0.000 1.178 360 R HN 0.452 nan 8.270 nan 0.000 0.445 361 L N 2.188 123.339 121.223 -0.120 0.000 2.365 361 L HA 0.520 4.799 4.340 -0.101 0.000 0.273 361 L C -0.233 176.527 176.870 -0.183 0.000 1.000 361 L CA -1.320 53.448 54.840 -0.120 0.000 0.819 361 L CB 1.792 43.703 42.059 -0.245 0.000 1.284 361 L HN 0.661 nan 8.230 nan 0.000 0.418 362 D N 0.392 120.805 120.400 0.022 0.000 2.414 362 D HA 0.013 4.593 4.640 -0.101 0.000 0.251 362 D C 0.733 176.936 176.300 -0.162 0.000 1.252 362 D CA -0.426 53.633 54.000 0.098 0.000 0.999 362 D CB 0.553 41.502 40.800 0.249 0.000 1.093 362 D HN 0.580 nan 8.370 nan 0.000 0.515 363 E N -0.845 119.294 120.200 -0.102 0.000 2.339 363 E HA -0.229 4.061 4.350 -0.101 0.000 0.201 363 E C 0.764 177.280 176.600 -0.140 0.000 1.015 363 E CA 0.972 57.285 56.400 -0.144 0.000 0.841 363 E CB -0.489 29.182 29.700 -0.048 0.000 0.754 363 E HN 0.477 nan 8.360 nan 0.000 0.508 364 N N -0.670 117.966 118.700 -0.108 0.000 2.236 364 N HA 0.033 4.713 4.740 -0.101 0.000 0.196 364 N C -0.781 174.617 175.510 -0.188 0.000 1.114 364 N CA -0.146 52.866 53.050 -0.064 0.000 0.859 364 N CB 0.427 38.942 38.487 0.046 0.000 0.982 364 N HN 0.089 nan 8.380 nan 0.000 0.493 365 Y N 0.342 120.386 120.300 -0.427 0.000 3.661 365 Y HA -0.224 4.264 4.550 -0.103 0.000 0.224 365 Y C -0.410 175.382 175.900 -0.180 0.000 1.342 365 Y CA 0.184 58.029 58.100 -0.425 0.000 1.723 365 Y CB -1.695 36.238 38.460 -0.877 0.000 1.546 365 Y HN 0.176 nan 8.280 nan 0.000 0.631 366 Q N 0.575 120.363 119.800 -0.021 0.000 2.351 366 Q HA 0.476 4.755 4.340 -0.101 0.000 0.273 366 Q C -2.443 173.587 176.000 0.051 0.000 1.077 366 Q CA -2.343 53.480 55.803 0.034 0.000 0.843 366 Q CB 1.197 29.958 28.738 0.039 0.000 1.367 366 Q HN -0.046 nan 8.270 nan 0.000 0.449 367 P HA -0.125 nan 4.420 nan 0.000 0.258 367 P C -0.719 176.656 177.300 0.126 0.000 1.172 367 P CA 0.415 63.566 63.100 0.086 0.000 0.762 367 P CB 0.138 31.872 31.700 0.058 0.000 0.764 368 W N 5.525 126.798 121.300 -0.045 0.000 2.416 368 W HA 0.460 5.061 4.660 -0.097 0.000 0.318 368 W C 0.541 177.046 176.519 -0.024 0.000 1.150 368 W CA 1.605 58.924 57.345 -0.042 0.000 1.392 368 W CB 0.311 29.736 29.460 -0.057 0.000 1.311 368 W HN 0.888 nan 8.180 nan 0.000 0.436 369 G N 6.024 114.624 108.800 -0.333 0.000 2.757 369 G HA2 -0.251 3.649 3.960 -0.101 0.000 0.638 369 G HA3 -0.251 3.649 3.960 -0.101 0.000 0.638 369 G C -1.653 173.174 174.900 -0.121 0.000 1.344 369 G CA -0.458 44.440 45.100 -0.337 0.000 0.855 369 G HN 0.400 nan 8.290 nan 0.000 0.537 370 P HA 0.069 nan 4.420 nan 0.000 0.216 370 P C 0.635 177.931 177.300 -0.007 0.000 1.156 370 P CA 1.246 64.321 63.100 -0.042 0.000 0.855 370 P CB 0.143 31.818 31.700 -0.043 0.000 0.786 371 E N 0.268 120.470 120.200 0.003 0.000 2.232 371 E HA 0.352 4.642 4.350 -0.101 0.000 0.296 371 E C 0.999 177.630 176.600 0.052 0.000 1.372 371 E CA -0.355 56.060 56.400 0.025 0.000 1.527 371 E CB 0.054 29.772 29.700 0.029 0.000 1.424 371 E HN 0.192 nan 8.360 nan 0.000 0.485 372 A N 1.969 124.825 122.820 0.061 0.000 2.016 372 A HA -0.099 4.160 4.320 -0.101 0.000 0.217 372 A C 1.154 178.778 177.584 0.067 0.000 1.162 372 A CA 0.473 52.572 52.037 0.103 0.000 0.662 372 A CB 0.104 19.172 19.000 0.113 0.000 0.812 372 A HN 0.391 nan 8.150 nan 0.000 0.450 373 E N 0.481 120.705 120.200 0.041 0.000 2.081 373 E HA 0.526 4.816 4.350 -0.101 0.000 0.276 373 E C -1.199 175.402 176.600 0.002 0.000 0.950 373 E CA -0.393 56.022 56.400 0.025 0.000 0.776 373 E CB 0.387 30.105 29.700 0.031 0.000 1.094 373 E HN 0.397 nan 8.360 nan 0.000 0.402 374 L N 5.637 126.846 121.223 -0.023 0.000 2.344 374 L HA 0.537 4.816 4.340 -0.101 0.000 0.272 374 L C -2.190 174.629 176.870 -0.084 0.000 1.035 374 L CA -2.532 52.270 54.840 -0.064 0.000 0.807 374 L CB 1.642 43.641 42.059 -0.101 0.000 1.237 374 L HN 0.491 nan 8.230 nan 0.000 0.442 375 P HA 0.081 nan 4.420 nan 0.000 0.280 375 P C 0.727 177.896 177.300 -0.220 0.000 1.244 375 P CA -0.359 62.670 63.100 -0.118 0.000 0.784 375 P CB 0.956 32.587 31.700 -0.116 0.000 0.913 376 L N 4.014 125.146 121.223 -0.151 0.000 1.997 376 L HA -0.270 4.010 4.340 -0.101 0.000 0.216 376 L C 2.346 178.843 176.870 -0.622 0.000 1.074 376 L CA 2.113 56.788 54.840 -0.275 0.000 0.763 376 L CB -0.792 41.194 42.059 -0.121 0.000 0.890 376 L HN 0.684 nan 8.230 nan 0.000 0.434 377 H N -1.045 117.731 119.070 -0.491 0.000 2.492 377 H HA -0.166 4.330 4.556 -0.101 0.000 0.296 377 H C 1.710 176.876 175.328 -0.270 0.000 1.095 377 H CA 1.704 57.443 56.048 -0.514 0.000 1.281 377 H CB -0.764 29.051 29.762 0.087 0.000 1.374 377 H HN 0.513 nan 8.280 nan 0.000 0.545 378 T N -1.031 113.105 114.554 -0.696 0.000 3.160 378 T HA 0.130 4.420 4.350 -0.101 0.000 0.257 378 T C 1.685 176.242 174.700 -0.238 0.000 1.147 378 T CA 0.243 62.095 62.100 -0.414 0.000 1.064 378 T CB -0.324 68.314 68.868 -0.382 0.000 0.949 378 T HN 0.386 nan 8.240 nan 0.000 0.526 379 L N -0.383 120.635 121.223 -0.341 0.000 2.808 379 L HA 0.469 4.748 4.340 -0.101 0.000 0.246 379 L C -0.462 176.351 176.870 -0.095 0.000 1.153 379 L CA -0.671 54.028 54.840 -0.234 0.000 0.956 379 L CB 0.039 41.950 42.059 -0.247 0.000 1.270 379 L HN 0.123 nan 8.230 nan 0.000 0.528 380 F N 0.536 120.530 119.950 0.073 0.000 2.472 380 F HA 0.245 4.711 4.527 -0.102 0.000 0.364 380 F C 0.639 176.510 175.800 0.119 0.000 1.090 380 F CA -0.765 57.269 58.000 0.057 0.000 1.188 380 F CB -0.206 38.929 39.000 0.224 0.000 1.105 380 F HN -0.032 nan 8.300 nan 0.000 0.536 381 F N 0.692 120.778 119.950 0.226 0.000 3.074 381 F HA -0.307 4.161 4.527 -0.100 0.000 0.289 381 F C 0.534 176.369 175.800 0.057 0.000 0.863 381 F CA 0.122 58.196 58.000 0.125 0.000 1.121 381 F CB -1.356 37.723 39.000 0.130 0.000 1.169 381 F HN 0.505 nan 8.300 nan 0.000 0.570 382 N N 0.774 119.551 118.700 0.127 0.000 2.527 382 N HA 0.253 4.933 4.740 -0.101 0.000 0.236 382 N C 1.006 176.487 175.510 -0.048 0.000 0.999 382 N CA 0.779 53.837 53.050 0.014 0.000 0.935 382 N CB 1.021 39.427 38.487 -0.136 0.000 1.132 382 N HN 0.298 nan 8.380 nan 0.000 0.511 383 T N -0.150 114.399 114.554 -0.008 0.000 3.015 383 T HA 0.018 4.308 4.350 -0.101 0.000 0.250 383 T C 1.834 176.534 174.700 -0.001 0.000 1.057 383 T CA -0.392 61.682 62.100 -0.044 0.000 1.066 383 T CB -0.326 68.339 68.868 -0.338 0.000 0.959 383 T HN 0.643 nan 8.240 nan 0.000 0.488 384 W N 2.295 123.576 121.300 -0.032 0.000 2.392 384 W HA 0.056 4.656 4.660 -0.099 0.000 0.279 384 W C 1.410 177.942 176.519 0.022 0.000 1.225 384 W CA 0.045 57.382 57.345 -0.013 0.000 1.233 384 W CB -0.684 28.758 29.460 -0.030 0.000 1.122 384 W HN 0.062 nan 8.180 nan 0.000 0.561 385 R N 1.026 121.077 120.500 -0.748 0.000 2.237 385 R HA -0.016 4.264 4.340 -0.101 0.000 0.219 385 R C 1.997 178.156 176.300 -0.236 0.000 1.080 385 R CA 1.011 56.674 56.100 -0.730 0.000 0.995 385 R CB -0.472 29.328 30.300 -0.834 0.000 0.875 385 R HN 0.429 nan 8.270 nan 0.000 0.462 386 I N -0.045 120.455 120.570 -0.117 0.000 2.364 386 I HA -0.167 3.942 4.170 -0.101 0.000 0.241 386 I C 2.004 178.150 176.117 0.047 0.000 1.082 386 I CA 0.466 61.750 61.300 -0.027 0.000 1.401 386 I CB -0.209 37.796 38.000 0.009 0.000 1.126 386 I HN -0.079 nan 8.210 nan 0.000 0.429 387 I N 1.329 121.921 120.570 0.037 0.000 2.163 387 I HA -0.273 3.836 4.170 -0.101 0.000 0.243 387 I C 1.905 178.135 176.117 0.189 0.000 1.085 387 I CA 1.954 63.304 61.300 0.084 0.000 1.347 387 I CB -1.096 36.975 38.000 0.118 0.000 1.044 387 I HN 0.280 nan 8.210 nan 0.000 0.408 388 K N -0.389 120.147 120.400 0.227 0.000 2.358 388 K HA 0.043 4.302 4.320 -0.101 0.000 0.200 388 K C 0.017 176.786 176.600 0.281 0.000 1.030 388 K CA 0.088 56.533 56.287 0.263 0.000 1.097 388 K CB 0.522 33.208 32.500 0.310 0.000 0.862 388 K HN 0.037 nan 8.250 nan 0.000 0.534 389 D N -0.003 120.535 120.400 0.229 0.000 2.957 389 D HA 0.179 4.759 4.640 -0.101 0.000 0.352 389 D C 0.354 176.820 176.300 0.277 0.000 1.352 389 D CA 0.146 54.321 54.000 0.292 0.000 0.831 389 D CB 0.574 41.483 40.800 0.182 0.000 1.147 389 D HN 0.259 nan 8.370 nan 0.000 0.467 390 G N -0.343 108.601 108.800 0.239 0.000 2.184 390 G HA2 0.101 4.000 3.960 -0.101 0.000 0.206 390 G HA3 0.101 4.000 3.960 -0.101 0.000 0.206 390 G C 0.909 175.764 174.900 -0.075 0.000 0.995 390 G CA 0.091 45.197 45.100 0.010 0.000 0.651 390 G HN 1.110 nan 8.290 nan 0.000 0.511 391 G N -0.535 108.286 108.800 0.035 0.000 2.693 391 G HA2 0.073 3.973 3.960 -0.101 0.000 0.226 391 G HA3 0.073 3.973 3.960 -0.101 0.000 0.226 391 G C 0.824 175.718 174.900 -0.010 0.000 1.354 391 G CA 0.960 46.119 45.100 0.099 0.000 0.873 391 G HN 1.767 nan 8.290 nan 0.000 0.562 392 I N -2.987 117.590 120.570 0.011 0.000 3.645 392 I HA 0.335 4.445 4.170 -0.101 0.000 0.300 392 I C 1.658 177.710 176.117 -0.109 0.000 1.260 392 I CA 1.599 62.869 61.300 -0.050 0.000 1.365 392 I CB -0.044 37.945 38.000 -0.018 0.000 1.077 392 I HN 0.304 nan 8.210 nan 0.000 0.439 393 D N 2.426 122.756 120.400 -0.116 0.000 2.133 393 D HA -0.126 4.453 4.640 -0.101 0.000 0.195 393 D C -0.262 175.894 176.300 -0.239 0.000 0.997 393 D CA 1.882 55.793 54.000 -0.148 0.000 0.840 393 D CB -1.707 39.026 40.800 -0.112 0.000 0.947 393 D HN 0.325 nan 8.370 nan 0.000 0.452 394 P HA -0.053 nan 4.420 nan 0.000 0.218 394 P C 1.589 178.712 177.300 -0.294 0.000 1.149 394 P CA 0.792 63.607 63.100 -0.476 0.000 0.817 394 P CB 0.053 31.221 31.700 -0.888 0.000 0.785 395 L N -1.536 119.554 121.223 -0.222 0.000 2.109 395 L HA -0.095 4.185 4.340 -0.101 0.000 0.207 395 L C 2.240 179.073 176.870 -0.062 0.000 1.086 395 L CA 1.044 55.810 54.840 -0.124 0.000 0.760 395 L CB -0.985 41.014 42.059 -0.101 0.000 0.910 395 L HN -0.155 nan 8.230 nan 0.000 0.437 396 V N -0.157 119.722 119.914 -0.057 0.000 2.490 396 V HA -0.234 3.826 4.120 -0.101 0.000 0.250 396 V C 2.549 178.669 176.094 0.043 0.000 1.061 396 V CA 1.550 63.858 62.300 0.013 0.000 1.064 396 V CB -0.721 31.107 31.823 0.009 0.000 0.670 396 V HN 0.414 nan 8.190 nan 0.000 0.461 397 R N 0.327 120.798 120.500 -0.049 0.000 2.115 397 R HA -0.056 4.224 4.340 -0.101 0.000 0.230 397 R C 2.465 178.823 176.300 0.098 0.000 1.111 397 R CA 1.286 57.360 56.100 -0.044 0.000 0.976 397 R CB -0.641 29.355 30.300 -0.506 0.000 0.870 397 R HN 0.588 nan 8.270 nan 0.000 0.445 398 G N 0.996 109.809 108.800 0.023 0.000 2.422 398 G HA2 -0.185 3.714 3.960 -0.101 0.000 0.218 398 G HA3 -0.185 3.714 3.960 -0.101 0.000 0.218 398 G C 1.436 176.404 174.900 0.114 0.000 1.140 398 G CA 0.168 45.308 45.100 0.067 0.000 0.775 398 G HN 0.122 nan 8.290 nan 0.000 0.545 399 L N -0.169 121.116 121.223 0.103 0.000 2.141 399 L HA 0.052 4.331 4.340 -0.101 0.000 0.209 399 L C 2.702 179.654 176.870 0.136 0.000 1.094 399 L CA 0.589 55.493 54.840 0.107 0.000 0.763 399 L CB -0.169 41.943 42.059 0.089 0.000 0.908 399 L HN 0.211 nan 8.230 nan 0.000 0.437 400 L N -1.360 119.985 121.223 0.204 0.000 2.307 400 L HA 0.023 4.303 4.340 -0.101 0.000 0.211 400 L C 2.492 179.564 176.870 0.336 0.000 1.099 400 L CA 0.694 55.680 54.840 0.243 0.000 0.816 400 L CB -0.442 41.833 42.059 0.359 0.000 0.952 400 L HN 0.146 nan 8.230 nan 0.000 0.455 401 A N -1.211 121.832 122.820 0.373 0.000 2.063 401 A HA 0.124 4.383 4.320 -0.101 0.000 0.211 401 A C 1.053 178.770 177.584 0.222 0.000 1.177 401 A CA 0.311 52.555 52.037 0.345 0.000 0.759 401 A CB 0.217 19.434 19.000 0.362 0.000 0.857 401 A HN -0.014 nan 8.150 nan 0.000 0.468 402 K N 0.850 121.358 120.400 0.181 0.000 2.109 402 K HA 0.504 4.764 4.320 -0.101 0.000 0.243 402 K C -0.551 176.134 176.600 0.142 0.000 1.006 402 K CA -0.241 56.132 56.287 0.144 0.000 0.917 402 K CB 0.791 33.363 32.500 0.120 0.000 1.081 402 K HN 0.217 nan 8.250 nan 0.000 0.468 403 K N 0.280 120.759 120.400 0.131 0.000 2.139 403 K HA 0.359 4.618 4.320 -0.101 0.000 0.243 403 K C 0.175 176.870 176.600 0.157 0.000 0.983 403 K CA -0.566 55.802 56.287 0.136 0.000 0.890 403 K CB 1.331 33.899 32.500 0.113 0.000 1.090 403 K HN 0.369 nan 8.250 nan 0.000 0.445 404 S N 0.586 116.401 115.700 0.193 0.000 2.655 404 S HA 0.128 4.538 4.470 -0.101 0.000 0.265 404 S C -0.319 174.397 174.600 0.192 0.000 1.240 404 S CA -0.570 57.769 58.200 0.231 0.000 0.986 404 S CB 0.642 64.060 63.200 0.363 0.000 0.985 404 S HN 0.417 nan 8.310 nan 0.000 0.562 405 K N 1.172 121.692 120.400 0.199 0.000 2.156 405 K HA 0.379 4.639 4.320 -0.101 0.000 0.271 405 K C -0.917 175.787 176.600 0.173 0.000 0.995 405 K CA -0.596 55.793 56.287 0.170 0.000 0.890 405 K CB 0.594 33.203 32.500 0.182 0.000 1.073 405 K HN 0.386 nan 8.250 nan 0.000 0.454 406 L N 4.762 126.058 121.223 0.122 0.000 2.349 406 L HA 0.215 4.494 4.340 -0.101 0.000 0.275 406 L C -0.024 176.896 176.870 0.084 0.000 1.115 406 L CA -0.127 54.775 54.840 0.104 0.000 0.820 406 L CB 1.045 43.139 42.059 0.058 0.000 1.135 406 L HN 0.748 nan 8.230 nan 0.000 0.445 407 M N 5.719 125.380 119.600 0.101 0.000 2.239 407 M HA 0.138 4.558 4.480 -0.101 0.000 0.348 407 M C -0.775 175.536 176.300 0.017 0.000 1.239 407 M CA 0.668 56.013 55.300 0.075 0.000 1.114 407 M CB -0.182 32.472 32.600 0.090 0.000 1.641 407 M HN 0.808 nan 8.290 nan 0.000 0.453 408 N N 3.966 122.655 118.700 -0.018 0.000 2.369 408 N HA 0.182 4.862 4.740 -0.101 0.000 0.287 408 N C -0.098 175.379 175.510 -0.056 0.000 1.067 408 N CA -0.205 52.815 53.050 -0.051 0.000 0.888 408 N CB 1.339 39.769 38.487 -0.096 0.000 1.616 408 N HN 0.716 nan 8.380 nan 0.000 0.482 409 Q N 0.765 120.538 119.800 -0.044 0.000 2.248 409 Q HA -0.103 4.177 4.340 -0.101 0.000 0.208 409 Q C -0.115 175.866 176.000 -0.033 0.000 0.984 409 Q CA 1.458 57.237 55.803 -0.040 0.000 0.875 409 Q CB 0.260 28.977 28.738 -0.034 0.000 0.910 409 Q HN 0.576 nan 8.270 nan 0.000 0.433 410 D N -0.531 119.841 120.400 -0.046 0.000 2.398 410 D HA 0.085 4.664 4.640 -0.101 0.000 0.210 410 D C -0.167 176.092 176.300 -0.069 0.000 1.094 410 D CA 0.383 54.364 54.000 -0.032 0.000 0.839 410 D CB 0.591 41.376 40.800 -0.026 0.000 0.963 410 D HN 0.075 nan 8.370 nan 0.000 0.506 411 K N 0.667 120.962 120.400 -0.176 0.000 2.950 411 K HA 0.331 4.591 4.320 -0.101 0.000 0.199 411 K C 0.627 177.045 176.600 -0.304 0.000 1.144 411 K CA -0.022 55.950 56.287 -0.523 0.000 0.983 411 K CB 1.316 33.245 32.500 -0.953 0.000 1.187 411 K HN -0.155 nan 8.250 nan 0.000 0.595 412 M N -0.075 119.559 119.600 0.057 0.000 2.171 412 M HA 0.063 4.482 4.480 -0.101 0.000 0.260 412 M C 0.563 177.038 176.300 0.292 0.000 1.087 412 M CA 1.002 56.384 55.300 0.137 0.000 1.154 412 M CB 0.404 33.068 32.600 0.107 0.000 1.331 412 M HN 0.001 nan 8.290 nan 0.000 0.431 413 V N 0.467 120.632 119.914 0.418 0.000 2.531 413 V HA 0.204 4.264 4.120 -0.101 0.000 0.301 413 V C -0.015 176.292 176.094 0.354 0.000 1.034 413 V CA -0.829 61.706 62.300 0.392 0.000 0.865 413 V CB 1.674 33.711 31.823 0.356 0.000 0.995 413 V HN 0.260 nan 8.190 nan 0.000 0.424 414 T N 2.848 117.582 114.554 0.300 0.000 2.932 414 T HA 0.023 4.313 4.350 -0.101 0.000 0.312 414 T C 1.427 176.123 174.700 -0.007 0.000 1.071 414 T CA 0.475 62.617 62.100 0.070 0.000 1.128 414 T CB 0.827 69.797 68.868 0.170 0.000 0.984 414 T HN 0.795 nan 8.240 nan 0.000 0.549 415 S N 2.946 118.561 115.700 -0.140 0.000 2.442 415 S HA -0.077 4.332 4.470 -0.101 0.000 0.236 415 S C 1.899 176.530 174.600 0.052 0.000 1.007 415 S CA 0.595 58.759 58.200 -0.060 0.000 0.965 415 S CB -0.165 62.970 63.200 -0.108 0.000 0.773 415 S HN 0.695 nan 8.310 nan 0.000 0.504 416 E N 1.127 121.391 120.200 0.106 0.000 2.153 416 E HA -0.045 4.245 4.350 -0.101 0.000 0.194 416 E C 1.707 178.512 176.600 0.342 0.000 0.988 416 E CA 0.835 57.365 56.400 0.216 0.000 0.811 416 E CB -0.168 29.653 29.700 0.202 0.000 0.746 416 E HN 0.510 nan 8.360 nan 0.000 0.466 417 L N -0.874 120.505 121.223 0.260 0.000 2.537 417 L HA 0.200 4.480 4.340 -0.101 0.000 0.224 417 L C 2.425 179.380 176.870 0.142 0.000 1.065 417 L CA 0.005 54.980 54.840 0.225 0.000 0.860 417 L CB 0.044 42.200 42.059 0.162 0.000 1.086 417 L HN -0.091 nan 8.230 nan 0.000 0.482 418 R N 0.142 120.716 120.500 0.122 0.000 2.240 418 R HA 0.026 4.306 4.340 -0.101 0.000 0.203 418 R C 1.064 177.410 176.300 0.076 0.000 1.011 418 R CA 0.796 56.955 56.100 0.097 0.000 1.007 418 R CB 0.323 30.671 30.300 0.080 0.000 0.911 418 R HN 0.353 nan 8.270 nan 0.000 0.468 419 N N -1.013 117.732 118.700 0.073 0.000 2.104 419 N HA 0.048 4.727 4.740 -0.101 0.000 0.227 419 N C -0.184 175.370 175.510 0.073 0.000 1.321 419 N CA 0.242 53.317 53.050 0.041 0.000 0.877 419 N CB 0.911 39.389 38.487 -0.015 0.000 1.117 419 N HN 0.042 nan 8.380 nan 0.000 0.486 420 K N 0.807 121.291 120.400 0.139 0.000 2.564 420 K HA 0.247 4.507 4.320 -0.101 0.000 0.205 420 K C -0.185 176.692 176.600 0.462 0.000 1.053 420 K CA -0.369 56.046 56.287 0.213 0.000 1.072 420 K CB 1.086 33.575 32.500 -0.017 0.000 0.822 420 K HN -0.088 nan 8.250 nan 0.000 0.497 421 L N 1.373 122.810 121.223 0.356 0.000 2.456 421 L HA 0.221 4.501 4.340 -0.101 0.000 0.272 421 L C -0.489 176.551 176.870 0.284 0.000 1.189 421 L CA 0.036 55.002 54.840 0.209 0.000 0.846 421 L CB 0.152 42.217 42.059 0.010 0.000 1.111 421 L HN 0.043 nan 8.230 nan 0.000 0.475 422 F N 4.558 124.501 119.950 -0.012 0.000 2.420 422 F HA 0.455 4.922 4.527 -0.101 0.000 0.342 422 F C -0.112 175.660 175.800 -0.046 0.000 1.113 422 F CA -0.317 57.689 58.000 0.011 0.000 1.059 422 F CB 0.932 39.914 39.000 -0.031 0.000 1.128 422 F HN 0.482 nan 8.300 nan 0.000 0.475 423 Q N 6.837 126.176 119.800 -0.768 0.000 2.257 423 Q HA 0.291 4.571 4.340 -0.101 0.000 0.262 423 Q C -2.022 173.535 176.000 -0.738 0.000 0.997 423 Q CA -1.790 53.624 55.803 -0.648 0.000 0.873 423 Q CB 1.755 29.983 28.738 -0.850 0.000 1.312 423 Q HN 0.394 nan 8.270 nan 0.000 0.450 424 P HA -0.119 nan 4.420 nan 0.000 0.211 424 P C 1.064 178.089 177.300 -0.458 0.000 1.179 424 P CA 1.739 64.575 63.100 -0.440 0.000 0.910 424 P CB 0.117 31.644 31.700 -0.289 0.000 0.785 425 T N -1.150 113.154 114.554 -0.418 0.000 2.897 425 T HA -0.113 4.177 4.350 -0.101 0.000 0.271 425 T C 0.846 175.118 174.700 -0.714 0.000 1.084 425 T CA 1.257 63.042 62.100 -0.524 0.000 1.123 425 T CB -0.634 67.912 68.868 -0.537 0.000 0.865 425 T HN 0.222 nan 8.240 nan 0.000 0.496 426 H N -0.121 118.711 119.070 -0.398 0.000 2.676 426 H HA 0.409 4.904 4.556 -0.101 0.000 0.352 426 H C 0.504 175.563 175.328 -0.449 0.000 1.193 426 H CA -0.661 55.218 56.048 -0.283 0.000 1.243 426 H CB 1.476 31.234 29.762 -0.007 0.000 1.751 426 H HN 0.005 nan 8.280 nan 0.000 0.567 427 K N 0.920 121.265 120.400 -0.092 0.000 2.372 427 K HA 0.216 4.476 4.320 -0.101 0.000 0.200 427 K C 0.442 177.276 176.600 0.390 0.000 1.022 427 K CA 0.170 56.438 56.287 -0.032 0.000 1.125 427 K CB 0.430 32.981 32.500 0.085 0.000 0.855 427 K HN 0.407 nan 8.250 nan 0.000 0.524 428 I N -2.952 117.798 120.570 0.299 0.000 2.892 428 I HA 0.361 4.471 4.170 -0.101 0.000 0.306 428 I C -0.905 175.507 176.117 0.492 0.000 1.078 428 I CA -1.080 60.483 61.300 0.439 0.000 1.032 428 I CB 1.673 39.817 38.000 0.239 0.000 1.229 428 I HN -0.105 nan 8.210 nan 0.000 0.435 429 H N 2.956 122.318 119.070 0.487 0.000 2.652 429 H HA 0.537 5.033 4.556 -0.101 0.000 0.233 429 H C 0.576 176.058 175.328 0.256 0.000 1.762 429 H CA -0.183 56.165 56.048 0.501 0.000 1.285 429 H CB 0.652 30.689 29.762 0.459 0.000 1.668 429 H HN 0.868 nan 8.280 nan 0.000 0.550 430 G N 0.823 109.774 108.800 0.251 0.000 4.658 430 G HA2 0.106 4.006 3.960 -0.101 0.000 0.279 430 G HA3 0.106 4.006 3.960 -0.101 0.000 0.279 430 G C -0.438 174.416 174.900 -0.077 0.000 0.997 430 G CA -0.188 44.944 45.100 0.054 0.000 0.765 430 G HN 0.198 nan 8.290 nan 0.000 0.442 431 F N 0.514 120.500 119.950 0.059 0.000 2.380 431 F HA 0.548 5.014 4.527 -0.100 0.000 0.319 431 F C 0.071 175.891 175.800 0.035 0.000 1.113 431 F CA -0.662 57.351 58.000 0.023 0.000 1.056 431 F CB 1.541 40.515 39.000 -0.044 0.000 1.289 431 F HN -0.082 nan 8.300 nan 0.000 0.515 432 D N 1.759 122.308 120.400 0.248 0.000 2.462 432 D HA 0.142 4.722 4.640 -0.101 0.000 0.245 432 D C 0.507 176.865 176.300 0.096 0.000 1.122 432 D CA -0.353 53.733 54.000 0.143 0.000 0.864 432 D CB 1.332 42.205 40.800 0.121 0.000 1.098 432 D HN 0.394 nan 8.370 nan 0.000 0.541 433 L N 4.650 125.893 121.223 0.034 0.000 2.131 433 L HA 0.008 4.288 4.340 -0.101 0.000 0.210 433 L C 1.952 178.755 176.870 -0.111 0.000 1.092 433 L CA 2.219 57.014 54.840 -0.074 0.000 0.759 433 L CB -0.508 41.442 42.059 -0.183 0.000 0.903 433 L HN 0.489 nan 8.230 nan 0.000 0.435 434 A N -0.669 122.144 122.820 -0.012 0.000 1.898 434 A HA -0.022 4.238 4.320 -0.101 0.000 0.216 434 A C 2.426 179.957 177.584 -0.088 0.000 1.181 434 A CA 1.555 53.582 52.037 -0.016 0.000 0.620 434 A CB -1.004 18.181 19.000 0.309 0.000 0.819 434 A HN 0.528 nan 8.150 nan 0.000 0.442 435 A N -0.229 122.596 122.820 0.008 0.000 1.929 435 A HA 0.041 4.301 4.320 -0.101 0.000 0.216 435 A C 1.967 179.513 177.584 -0.063 0.000 1.176 435 A CA 1.362 53.396 52.037 -0.004 0.000 0.628 435 A CB -0.405 18.612 19.000 0.028 0.000 0.816 435 A HN 0.378 nan 8.150 nan 0.000 0.444 436 I N 0.934 121.496 120.570 -0.013 0.000 2.179 436 I HA -0.255 3.855 4.170 -0.101 0.000 0.242 436 I C 2.057 178.191 176.117 0.028 0.000 1.088 436 I CA 1.467 62.827 61.300 0.099 0.000 1.357 436 I CB -1.993 36.093 38.000 0.143 0.000 1.051 436 I HN 0.445 nan 8.210 nan 0.000 0.409 437 N N 0.719 119.306 118.700 -0.189 0.000 2.036 437 N HA -0.207 4.473 4.740 -0.101 0.000 0.195 437 N C 1.990 177.368 175.510 -0.219 0.000 1.037 437 N CA 1.103 53.938 53.050 -0.357 0.000 0.855 437 N CB -0.186 37.577 38.487 -1.207 0.000 1.033 437 N HN 0.260 nan 8.380 nan 0.000 0.423 438 L N 0.499 121.614 121.223 -0.180 0.000 2.083 438 L HA -0.190 4.090 4.340 -0.101 0.000 0.209 438 L C 2.570 179.422 176.870 -0.031 0.000 1.083 438 L CA 0.985 55.828 54.840 0.006 0.000 0.752 438 L CB -0.295 41.837 42.059 0.121 0.000 0.899 438 L HN 0.218 nan 8.230 nan 0.000 0.433 439 Q N 0.163 119.888 119.800 -0.125 0.000 2.167 439 Q HA -0.214 4.066 4.340 -0.101 0.000 0.202 439 Q C 2.185 178.172 176.000 -0.022 0.000 0.970 439 Q CA 1.380 57.014 55.803 -0.281 0.000 0.855 439 Q CB -0.028 28.203 28.738 -0.845 0.000 0.911 439 Q HN 0.106 nan 8.270 nan 0.000 0.438 440 R N -1.092 119.510 120.500 0.169 0.000 2.148 440 R HA 0.008 4.288 4.340 -0.101 0.000 0.223 440 R C 2.006 178.405 176.300 0.164 0.000 1.088 440 R CA 1.259 57.613 56.100 0.423 0.000 0.985 440 R CB -0.869 29.729 30.300 0.496 0.000 0.880 440 R HN 0.383 nan 8.270 nan 0.000 0.451 441 C N -0.096 119.068 119.300 -0.226 0.000 2.429 441 C HA -0.044 4.356 4.460 -0.101 0.000 0.277 441 C C 2.450 177.376 174.990 -0.107 0.000 1.262 441 C CA 1.006 59.673 59.018 -0.585 0.000 1.733 441 C CB -0.761 26.732 27.740 -0.411 0.000 2.010 441 C HN 0.511 nan 8.230 nan 0.000 0.483 442 R N 0.514 121.067 120.500 0.089 0.000 2.073 442 R HA -0.112 4.168 4.340 -0.101 0.000 0.229 442 R C 1.926 178.380 176.300 0.257 0.000 1.120 442 R CA 1.647 57.874 56.100 0.212 0.000 0.967 442 R CB -0.539 29.955 30.300 0.324 0.000 0.862 442 R HN 0.494 nan 8.270 nan 0.000 0.436 443 D N 0.508 121.137 120.400 0.382 0.000 2.123 443 D HA -0.191 4.389 4.640 -0.101 0.000 0.196 443 D C 1.346 177.895 176.300 0.415 0.000 0.992 443 D CA 1.380 55.638 54.000 0.430 0.000 0.833 443 D CB -0.105 41.083 40.800 0.645 0.000 0.954 443 D HN 0.387 nan 8.370 nan 0.000 0.455 444 H N -1.178 118.039 119.070 0.244 0.000 2.547 444 H HA 0.215 4.711 4.556 -0.101 0.000 0.266 444 H C 0.958 176.293 175.328 0.013 0.000 0.988 444 H CA 0.291 56.474 56.048 0.226 0.000 1.147 444 H CB 0.155 30.144 29.762 0.379 0.000 1.365 444 H HN 0.274 nan 8.280 nan 0.000 0.589 445 G N 1.878 110.608 108.800 -0.116 0.000 2.338 445 G HA2 -0.276 3.623 3.960 -0.101 0.000 0.296 445 G HA3 -0.276 3.623 3.960 -0.101 0.000 0.296 445 G C 0.241 175.024 174.900 -0.195 0.000 1.040 445 G CA -0.084 44.664 45.100 -0.587 0.000 1.004 445 G HN 0.147 nan 8.290 nan 0.000 0.509 446 M N -0.188 119.406 119.600 -0.010 0.000 2.233 446 M HA 0.250 4.670 4.480 -0.101 0.000 0.350 446 M C -1.697 174.687 176.300 0.142 0.000 1.176 446 M CA -1.943 53.427 55.300 0.118 0.000 1.150 446 M CB 0.198 32.834 32.600 0.060 0.000 1.530 446 M HN -0.015 nan 8.290 nan 0.000 0.459 447 P HA 0.189 nan 4.420 nan 0.000 0.274 447 P C 0.179 177.532 177.300 0.088 0.000 1.246 447 P CA -0.222 62.867 63.100 -0.019 0.000 0.795 447 P CB 0.485 31.957 31.700 -0.379 0.000 1.006 448 G N -0.128 108.683 108.800 0.019 0.000 2.684 448 G HA2 -0.082 3.817 3.960 -0.101 0.000 0.255 448 G HA3 -0.082 3.817 3.960 -0.101 0.000 0.255 448 G C 0.385 175.400 174.900 0.191 0.000 1.219 448 G CA -0.088 45.067 45.100 0.092 0.000 0.901 448 G HN 0.497 nan 8.290 nan 0.000 0.548 449 Y N 0.355 120.699 120.300 0.074 0.000 2.114 449 Y HA -0.237 4.253 4.550 -0.101 0.000 0.282 449 Y C 2.583 178.553 175.900 0.116 0.000 1.165 449 Y CA 2.538 60.707 58.100 0.115 0.000 1.148 449 Y CB -0.049 38.407 38.460 -0.005 0.000 0.972 449 Y HN 0.427 nan 8.280 nan 0.000 0.504 450 N N -0.328 118.386 118.700 0.024 0.000 2.381 450 N HA -0.130 4.549 4.740 -0.101 0.000 0.182 450 N C 1.909 177.357 175.510 -0.104 0.000 1.025 450 N CA 1.268 54.262 53.050 -0.093 0.000 0.888 450 N CB -0.258 38.235 38.487 0.010 0.000 0.965 450 N HN 0.353 nan 8.380 nan 0.000 0.438 451 S N -0.447 115.170 115.700 -0.138 0.000 2.383 451 S HA -0.065 4.345 4.470 -0.101 0.000 0.227 451 S C 1.561 175.993 174.600 -0.280 0.000 1.026 451 S CA 0.685 58.724 58.200 -0.267 0.000 0.981 451 S CB -0.223 62.705 63.200 -0.453 0.000 0.818 451 S HN 0.504 nan 8.310 nan 0.000 0.472 452 W N 1.743 123.036 121.300 -0.011 0.000 2.518 452 W HA 0.110 4.711 4.660 -0.099 0.000 0.273 452 W C 2.491 179.033 176.519 0.038 0.000 1.247 452 W CA -0.247 57.125 57.345 0.044 0.000 1.288 452 W CB -0.003 29.464 29.460 0.012 0.000 1.107 452 W HN 0.070 nan 8.180 nan 0.000 0.586 453 R N 0.093 120.615 120.500 0.036 0.000 2.066 453 R HA -0.061 4.219 4.340 -0.101 0.000 0.232 453 R C 2.379 178.705 176.300 0.043 0.000 1.131 453 R CA 1.554 57.623 56.100 -0.051 0.000 0.955 453 R CB -1.530 28.623 30.300 -0.245 0.000 0.851 453 R HN 0.329 nan 8.270 nan 0.000 0.432 454 G N 0.734 109.550 108.800 0.028 0.000 2.446 454 G HA2 -0.312 3.588 3.960 -0.101 0.000 0.217 454 G HA3 -0.312 3.588 3.960 -0.101 0.000 0.217 454 G C 1.375 176.335 174.900 0.099 0.000 1.168 454 G CA 0.613 45.737 45.100 0.039 0.000 0.771 454 G HN 0.306 nan 8.290 nan 0.000 0.551 455 F N 1.173 121.127 119.950 0.006 0.000 2.154 455 F HA -0.163 4.303 4.527 -0.102 0.000 0.301 455 F C 2.164 178.031 175.800 0.111 0.000 1.087 455 F CA 1.317 59.356 58.000 0.065 0.000 1.274 455 F CB -0.255 38.840 39.000 0.159 0.000 1.009 455 F HN 0.169 nan 8.300 nan 0.000 0.485 456 c N 0.862 119.543 118.600 0.135 0.000 2.673 456 c HA 0.424 4.934 4.570 -0.101 0.000 0.274 456 c C 1.561 175.693 174.090 0.071 0.000 1.276 456 c CA 0.447 56.813 56.329 0.061 0.000 1.701 456 c CB -1.420 41.192 42.510 0.170 0.000 1.836 456 c HN 0.865 nan 8.230 nan 0.000 0.596 457 G N 1.450 110.265 108.800 0.026 0.000 2.295 457 G HA2 -0.230 3.670 3.960 -0.101 0.000 0.287 457 G HA3 -0.230 3.670 3.960 -0.101 0.000 0.287 457 G C -0.338 174.584 174.900 0.036 0.000 1.055 457 G CA 0.088 45.199 45.100 0.019 0.000 0.922 457 G HN 0.554 nan 8.290 nan 0.000 0.503 458 L N 0.161 121.406 121.223 0.036 0.000 2.341 458 L HA 0.661 4.940 4.340 -0.101 0.000 0.267 458 L C 1.288 178.163 176.870 0.009 0.000 1.009 458 L CA -0.726 54.131 54.840 0.030 0.000 0.819 458 L CB 1.897 43.977 42.059 0.035 0.000 1.323 458 L HN 0.409 nan 8.230 nan 0.000 0.425 459 S N 0.907 116.616 115.700 0.014 0.000 2.560 459 S HA 0.071 4.481 4.470 -0.101 0.000 0.276 459 S C -0.374 174.229 174.600 0.004 0.000 1.350 459 S CA -0.391 57.817 58.200 0.013 0.000 1.024 459 S CB 0.331 63.546 63.200 0.024 0.000 0.864 459 S HN 0.619 nan 8.310 nan 0.000 0.536 460 Q N 1.290 121.096 119.800 0.011 0.000 2.394 460 Q HA 0.379 4.658 4.340 -0.101 0.000 0.261 460 Q C -2.772 173.255 176.000 0.046 0.000 1.023 460 Q CA -1.868 53.943 55.803 0.013 0.000 0.720 460 Q CB 1.392 30.129 28.738 -0.003 0.000 1.241 460 Q HN 0.507 nan 8.270 nan 0.000 0.483 461 P HA 0.057 nan 4.420 nan 0.000 0.271 461 P C -0.001 177.342 177.300 0.072 0.000 1.216 461 P CA -0.300 62.847 63.100 0.079 0.000 0.771 461 P CB 1.014 32.775 31.700 0.101 0.000 0.864 462 K N -0.125 120.307 120.400 0.052 0.000 2.435 462 K HA 0.136 4.396 4.320 -0.101 0.000 0.199 462 K C 0.814 177.438 176.600 0.039 0.000 1.153 462 K CA 0.645 56.962 56.287 0.049 0.000 0.974 462 K CB 0.143 32.669 32.500 0.044 0.000 0.997 462 K HN 0.598 nan 8.250 nan 0.000 0.547 463 T N -2.082 112.492 114.554 0.033 0.000 2.950 463 T HA 0.351 4.640 4.350 -0.101 0.000 0.288 463 T C 1.258 175.968 174.700 0.016 0.000 1.035 463 T CA -0.838 61.276 62.100 0.023 0.000 1.028 463 T CB 1.653 70.534 68.868 0.022 0.000 1.109 463 T HN -0.085 nan 8.240 nan 0.000 0.514 464 L N 0.495 121.722 121.223 0.007 0.000 1.990 464 L HA -0.129 4.151 4.340 -0.101 0.000 0.213 464 L C 2.631 179.504 176.870 0.005 0.000 1.072 464 L CA 2.170 57.011 54.840 0.000 0.000 0.755 464 L CB -0.508 41.549 42.059 -0.003 0.000 0.889 464 L HN 0.839 nan 8.230 nan 0.000 0.432 465 K N 0.191 120.596 120.400 0.009 0.000 2.152 465 K HA -0.136 4.124 4.320 -0.101 0.000 0.206 465 K C 1.792 178.402 176.600 0.015 0.000 1.048 465 K CA 1.613 57.907 56.287 0.011 0.000 0.933 465 K CB -0.743 31.763 32.500 0.011 0.000 0.721 465 K HN 0.449 nan 8.250 nan 0.000 0.447 466 G N 0.420 109.233 108.800 0.021 0.000 2.402 466 G HA2 -0.199 3.701 3.960 -0.101 0.000 0.216 466 G HA3 -0.199 3.701 3.960 -0.101 0.000 0.216 466 G C 1.380 176.301 174.900 0.036 0.000 1.162 466 G CA 0.756 45.874 45.100 0.030 0.000 0.777 466 G HN 0.321 nan 8.290 nan 0.000 0.539 467 L N 0.514 121.754 121.223 0.029 0.000 2.093 467 L HA 0.020 4.299 4.340 -0.101 0.000 0.208 467 L C 2.912 179.787 176.870 0.008 0.000 1.085 467 L CA 1.696 56.548 54.840 0.021 0.000 0.755 467 L CB -0.599 41.455 42.059 -0.008 0.000 0.904 467 L HN 0.304 nan 8.230 nan 0.000 0.435 468 Q N -1.347 118.456 119.800 0.005 0.000 2.096 468 Q HA -0.207 4.073 4.340 -0.101 0.000 0.204 468 Q C 1.949 177.953 176.000 0.008 0.000 0.982 468 Q CA 2.292 58.096 55.803 0.002 0.000 0.850 468 Q CB -0.351 28.388 28.738 0.002 0.000 0.901 468 Q HN 0.533 nan 8.270 nan 0.000 0.422 469 T N 0.424 114.987 114.554 0.016 0.000 2.777 469 T HA -0.094 4.196 4.350 -0.101 0.000 0.266 469 T C 2.039 176.756 174.700 0.027 0.000 1.040 469 T CA 1.167 63.279 62.100 0.019 0.000 1.141 469 T CB -0.174 68.707 68.868 0.021 0.000 0.868 469 T HN 0.039 nan 8.240 nan 0.000 0.444 470 V N 1.182 121.120 119.914 0.040 0.000 2.307 470 V HA -0.050 4.009 4.120 -0.101 0.000 0.245 470 V C 2.276 178.397 176.094 0.046 0.000 1.045 470 V CA 1.226 63.562 62.300 0.060 0.000 1.024 470 V CB -0.477 31.412 31.823 0.110 0.000 0.651 470 V HN 0.316 nan 8.190 nan 0.000 0.449 471 L N -0.414 120.823 121.223 0.022 0.000 2.395 471 L HA 0.102 4.381 4.340 -0.101 0.000 0.218 471 L C 1.333 178.202 176.870 -0.001 0.000 1.130 471 L CA 0.886 55.725 54.840 -0.002 0.000 0.826 471 L CB -1.148 40.891 42.059 -0.033 0.000 0.941 471 L HN 0.384 nan 8.230 nan 0.000 0.451 472 K N 0.770 121.173 120.400 0.005 0.000 3.077 472 K HA -0.238 4.021 4.320 -0.101 0.000 0.264 472 K C 0.059 176.657 176.600 -0.003 0.000 1.008 472 K CA 0.554 56.843 56.287 0.003 0.000 0.740 472 K CB -1.500 31.003 32.500 0.004 0.000 1.273 472 K HN 0.352 nan 8.250 nan 0.000 0.477 473 N N 0.348 119.044 118.700 -0.007 0.000 2.655 473 N HA 0.136 4.816 4.740 -0.101 0.000 0.277 473 N C 0.239 175.743 175.510 -0.010 0.000 1.177 473 N CA -0.457 52.587 53.050 -0.010 0.000 0.882 473 N CB 1.164 39.642 38.487 -0.016 0.000 1.481 473 N HN -0.025 nan 8.380 nan 0.000 0.547 474 K N 2.091 122.488 120.400 -0.006 0.000 2.009 474 K HA -0.001 4.259 4.320 -0.101 0.000 0.210 474 K C 1.650 178.246 176.600 -0.006 0.000 1.049 474 K CA 1.526 57.810 56.287 -0.005 0.000 0.929 474 K CB 0.174 32.672 32.500 -0.002 0.000 0.714 474 K HN 0.544 nan 8.250 nan 0.000 0.440 475 I N 0.660 121.227 120.570 -0.005 0.000 2.179 475 I HA -0.276 3.833 4.170 -0.101 0.000 0.242 475 I C 2.357 178.471 176.117 -0.006 0.000 1.088 475 I CA 0.747 62.045 61.300 -0.003 0.000 1.357 475 I CB -0.280 37.720 38.000 -0.000 0.000 1.051 475 I HN 0.149 nan 8.210 nan 0.000 0.409 476 L N 1.442 122.658 121.223 -0.011 0.000 2.017 476 L HA -0.111 4.168 4.340 -0.101 0.000 0.208 476 L C 2.600 179.455 176.870 -0.024 0.000 1.073 476 L CA 2.099 56.929 54.840 -0.017 0.000 0.745 476 L CB -0.845 41.197 42.059 -0.028 0.000 0.894 476 L HN 0.180 nan 8.230 nan 0.000 0.432 477 A N -0.583 122.220 122.820 -0.029 0.000 1.948 477 A HA -0.313 3.947 4.320 -0.101 0.000 0.220 477 A C 2.442 180.013 177.584 -0.022 0.000 1.177 477 A CA 2.209 54.225 52.037 -0.034 0.000 0.636 477 A CB -0.649 18.336 19.000 -0.025 0.000 0.815 477 A HN 0.539 nan 8.150 nan 0.000 0.449 478 K N -0.209 120.183 120.400 -0.013 0.000 2.001 478 K HA -0.130 4.129 4.320 -0.101 0.000 0.208 478 K C 2.054 178.651 176.600 -0.004 0.000 1.048 478 K CA 1.719 58.001 56.287 -0.009 0.000 0.932 478 K CB -0.166 32.331 32.500 -0.006 0.000 0.715 478 K HN 0.458 nan 8.250 nan 0.000 0.437 479 K N 0.238 120.639 120.400 0.002 0.000 2.063 479 K HA -0.157 4.103 4.320 -0.101 0.000 0.208 479 K C 1.987 178.605 176.600 0.030 0.000 1.048 479 K CA 1.084 57.378 56.287 0.011 0.000 0.928 479 K CB -0.145 32.366 32.500 0.017 0.000 0.713 479 K HN 0.048 nan 8.250 nan 0.000 0.442 480 L N 0.763 122.007 121.223 0.036 0.000 2.083 480 L HA -0.112 4.168 4.340 -0.101 0.000 0.209 480 L C 2.152 179.087 176.870 0.108 0.000 1.083 480 L CA 1.638 56.532 54.840 0.091 0.000 0.752 480 L CB -0.402 41.649 42.059 -0.013 0.000 0.899 480 L HN 0.256 nan 8.230 nan 0.000 0.433 481 M N -1.398 118.216 119.600 0.025 0.000 2.236 481 M HA -0.115 4.304 4.480 -0.101 0.000 0.266 481 M C 1.751 178.029 176.300 -0.037 0.000 1.070 481 M CA 1.093 56.389 55.300 -0.007 0.000 1.137 481 M CB -1.002 31.581 32.600 -0.029 0.000 1.378 481 M HN 0.150 nan 8.290 nan 0.000 0.426 482 D N 0.477 120.859 120.400 -0.031 0.000 2.178 482 D HA -0.073 4.507 4.640 -0.101 0.000 0.201 482 D C 2.149 178.401 176.300 -0.080 0.000 0.980 482 D CA 1.009 54.977 54.000 -0.053 0.000 0.842 482 D CB 0.002 40.782 40.800 -0.034 0.000 0.948 482 D HN 0.314 nan 8.370 nan 0.000 0.472 483 L N -1.308 119.872 121.223 -0.072 0.000 2.249 483 L HA -0.038 4.242 4.340 -0.101 0.000 0.207 483 L C 1.463 178.143 176.870 -0.316 0.000 1.090 483 L CA 0.617 55.346 54.840 -0.185 0.000 0.802 483 L CB 0.029 41.963 42.059 -0.207 0.000 0.947 483 L HN 0.049 nan 8.230 nan 0.000 0.453 484 Y N -0.749 119.481 120.300 -0.116 0.000 2.442 484 Y HA 0.066 4.556 4.550 -0.101 0.000 0.250 484 Y C 1.016 176.748 175.900 -0.280 0.000 1.113 484 Y CA -0.543 57.474 58.100 -0.137 0.000 1.273 484 Y CB 0.536 38.940 38.460 -0.093 0.000 1.138 484 Y HN -0.054 nan 8.280 nan 0.000 0.522 485 K N -0.157 120.100 120.400 -0.237 0.000 3.548 485 K HA -0.260 3.999 4.320 -0.101 0.000 0.310 485 K C 0.208 176.519 176.600 -0.482 0.000 1.282 485 K CA 1.547 57.476 56.287 -0.597 0.000 1.008 485 K CB -2.132 29.454 32.500 -1.524 0.000 1.265 485 K HN 0.392 nan 8.250 nan 0.000 0.430 486 T N -1.214 113.230 114.554 -0.183 0.000 3.225 486 T HA 0.404 4.693 4.350 -0.101 0.000 0.356 486 T C -2.700 172.005 174.700 0.010 0.000 1.460 486 T CA -0.994 61.084 62.100 -0.037 0.000 1.126 486 T CB 2.014 70.930 68.868 0.080 0.000 1.321 486 T HN -0.262 nan 8.240 nan 0.000 0.478 487 P HA 0.031 nan 4.420 nan 0.000 0.226 487 P C 0.688 178.033 177.300 0.076 0.000 1.146 487 P CA 0.696 63.810 63.100 0.025 0.000 0.773 487 P CB 0.161 31.914 31.700 0.088 0.000 0.772 488 D N -1.401 119.041 120.400 0.069 0.000 2.312 488 D HA -0.052 4.528 4.640 -0.101 0.000 0.211 488 D C 1.213 177.535 176.300 0.036 0.000 0.964 488 D CA 0.814 54.850 54.000 0.062 0.000 0.877 488 D CB -0.387 40.444 40.800 0.050 0.000 0.924 488 D HN 0.156 nan 8.370 nan 0.000 0.515 489 N N -0.046 118.673 118.700 0.032 0.000 2.325 489 N HA 0.118 4.797 4.740 -0.101 0.000 0.182 489 N C 0.444 175.904 175.510 -0.083 0.000 1.088 489 N CA -0.109 52.975 53.050 0.056 0.000 0.879 489 N CB 0.756 39.359 38.487 0.194 0.000 0.983 489 N HN 0.195 nan 8.380 nan 0.000 0.471 490 I N 2.213 122.531 120.570 -0.420 0.000 2.742 490 I HA -0.094 4.016 4.170 -0.101 0.000 0.287 490 I C 0.190 176.100 176.117 -0.345 0.000 1.186 490 I CA 0.250 60.977 61.300 -0.956 0.000 1.417 490 I CB 0.203 37.755 38.000 -0.748 0.000 1.377 490 I HN -0.067 nan 8.210 nan 0.000 0.556 491 D N 5.836 126.090 120.400 -0.244 0.000 2.472 491 D HA -0.073 4.507 4.640 -0.101 0.000 0.237 491 D C 1.152 177.499 176.300 0.077 0.000 1.141 491 D CA 0.038 54.062 54.000 0.040 0.000 0.875 491 D CB 1.379 42.275 40.800 0.159 0.000 1.192 491 D HN 0.458 nan 8.370 nan 0.000 0.450 492 I N 2.591 123.250 120.570 0.148 0.000 2.248 492 I HA -0.232 3.878 4.170 -0.101 0.000 0.248 492 I C 1.883 178.093 176.117 0.155 0.000 1.107 492 I CA 1.348 62.757 61.300 0.182 0.000 1.373 492 I CB -0.222 37.837 38.000 0.098 0.000 1.055 492 I HN 0.618 nan 8.210 nan 0.000 0.418 493 W N 0.896 122.195 121.300 -0.001 0.000 2.333 493 W HA -0.236 4.362 4.660 -0.102 0.000 0.316 493 W C 2.424 178.979 176.519 0.059 0.000 1.215 493 W CA 2.481 59.855 57.345 0.048 0.000 1.278 493 W CB -0.462 29.040 29.460 0.069 0.000 1.154 493 W HN 0.243 nan 8.180 nan 0.000 0.486 494 I N -0.020 120.481 120.570 -0.115 0.000 2.480 494 I HA -0.000 4.109 4.170 -0.101 0.000 0.251 494 I C 2.381 178.327 176.117 -0.285 0.000 1.124 494 I CA 1.529 62.607 61.300 -0.370 0.000 1.444 494 I CB -0.962 36.974 38.000 -0.107 0.000 1.098 494 I HN 0.105 nan 8.210 nan 0.000 0.428 495 G N 0.294 108.965 108.800 -0.216 0.000 2.459 495 G HA2 -0.267 3.632 3.960 -0.101 0.000 0.217 495 G HA3 -0.267 3.632 3.960 -0.101 0.000 0.217 495 G C 1.599 176.436 174.900 -0.105 0.000 1.183 495 G CA 0.794 45.680 45.100 -0.357 0.000 0.776 495 G HN 0.511 nan 8.290 nan 0.000 0.552 496 G N 0.476 109.319 108.800 0.071 0.000 2.422 496 G HA2 -0.187 3.712 3.960 -0.101 0.000 0.218 496 G HA3 -0.187 3.712 3.960 -0.101 0.000 0.218 496 G C 1.642 176.523 174.900 -0.032 0.000 1.146 496 G CA 1.000 46.155 45.100 0.092 0.000 0.769 496 G HN 0.533 nan 8.290 nan 0.000 0.547 497 N N 0.296 118.895 118.700 -0.170 0.000 2.463 497 N HA 0.213 4.892 4.740 -0.101 0.000 0.181 497 N C 1.988 177.405 175.510 -0.155 0.000 1.078 497 N CA 0.510 53.445 53.050 -0.192 0.000 0.902 497 N CB 0.111 38.364 38.487 -0.389 0.000 0.970 497 N HN 0.318 nan 8.380 nan 0.000 0.451 498 A N 0.330 123.056 122.820 -0.157 0.000 2.218 498 A HA 0.064 4.324 4.320 -0.101 0.000 0.209 498 A C 0.472 178.012 177.584 -0.072 0.000 1.168 498 A CA 0.159 52.120 52.037 -0.126 0.000 0.804 498 A CB 0.099 18.999 19.000 -0.167 0.000 0.834 498 A HN 0.233 nan 8.150 nan 0.000 0.482 499 E N 0.913 121.091 120.200 -0.036 0.000 2.373 499 E HA 0.295 4.585 4.350 -0.101 0.000 0.263 499 E C -2.459 174.137 176.600 -0.006 0.000 1.073 499 E CA -1.964 54.438 56.400 0.004 0.000 0.894 499 E CB 0.165 29.897 29.700 0.054 0.000 1.008 499 E HN 0.167 nan 8.360 nan 0.000 0.420 500 P HA 0.008 nan 4.420 nan 0.000 0.272 500 P C -0.621 176.675 177.300 -0.006 0.000 1.223 500 P CA 0.211 63.309 63.100 -0.005 0.000 0.784 500 P CB 0.512 32.212 31.700 0.000 0.000 0.923 501 M N 1.184 120.776 119.600 -0.014 0.000 2.242 501 M HA 0.167 4.586 4.480 -0.101 0.000 0.344 501 M C 0.469 176.759 176.300 -0.017 0.000 1.140 501 M CA -0.590 54.696 55.300 -0.023 0.000 1.160 501 M CB 0.503 33.087 32.600 -0.027 0.000 1.491 501 M HN 0.133 nan 8.290 nan 0.000 0.459 502 V N -0.296 119.607 119.914 -0.018 0.000 3.319 502 V HA 0.212 4.272 4.120 -0.101 0.000 0.303 502 V C 0.247 176.330 176.094 -0.019 0.000 1.094 502 V CA -0.912 61.383 62.300 -0.008 0.000 1.106 502 V CB 0.521 32.348 31.823 0.006 0.000 1.099 502 V HN 0.928 nan 8.190 nan 0.000 0.476 503 E N 1.736 121.927 120.200 -0.015 0.000 2.480 503 E HA 0.019 4.309 4.350 -0.101 0.000 0.258 503 E C 0.294 176.874 176.600 -0.033 0.000 0.984 503 E CA -0.008 56.379 56.400 -0.022 0.000 0.930 503 E CB 0.094 29.783 29.700 -0.018 0.000 0.936 503 E HN 0.691 nan 8.360 nan 0.000 0.466 504 R N 1.082 121.556 120.500 -0.043 0.000 4.000 504 R HA -0.177 4.103 4.340 -0.101 0.000 0.348 504 R C 0.097 176.352 176.300 -0.075 0.000 1.204 504 R CA 1.082 57.147 56.100 -0.060 0.000 0.987 504 R CB -2.432 27.835 30.300 -0.056 0.000 1.446 504 R HN 0.656 nan 8.270 nan 0.000 0.555 505 G N -1.073 107.687 108.800 -0.066 0.000 2.887 505 G HA2 0.641 4.541 3.960 -0.101 0.000 0.277 505 G HA3 0.641 4.541 3.960 -0.101 0.000 0.277 505 G C 0.407 175.263 174.900 -0.074 0.000 1.346 505 G CA -0.544 44.507 45.100 -0.080 0.000 1.058 505 G HN 0.024 nan 8.290 nan 0.000 0.535 506 R N -0.921 119.529 120.500 -0.084 0.000 2.566 506 R HA 0.246 4.525 4.340 -0.101 0.000 0.388 506 R C -0.082 176.133 176.300 -0.141 0.000 0.989 506 R CA 0.024 56.101 56.100 -0.038 0.000 1.164 506 R CB 0.465 30.850 30.300 0.142 0.000 1.459 506 R HN 0.520 nan 8.270 nan 0.000 0.553 507 V N -3.724 116.069 119.914 -0.201 0.000 3.130 507 V HA 0.926 4.986 4.120 -0.101 0.000 0.310 507 V C 0.304 176.329 176.094 -0.114 0.000 1.158 507 V CA -1.012 61.148 62.300 -0.235 0.000 1.029 507 V CB 1.778 33.344 31.823 -0.428 0.000 1.057 507 V HN 0.042 nan 8.190 nan 0.000 0.436 508 G N 0.381 109.138 108.800 -0.073 0.000 2.525 508 G HA2 0.581 4.480 3.960 -0.101 0.000 0.287 508 G HA3 0.581 4.480 3.960 -0.101 0.000 0.287 508 G C -1.893 173.010 174.900 0.006 0.000 1.350 508 G CA -1.036 44.054 45.100 -0.018 0.000 1.039 508 G HN 0.631 nan 8.290 nan 0.000 0.513 509 P HA -0.115 nan 4.420 nan 0.000 0.214 509 P C 2.113 179.460 177.300 0.078 0.000 1.163 509 P CA 0.485 63.638 63.100 0.088 0.000 0.889 509 P CB 0.107 31.862 31.700 0.092 0.000 0.790 510 L N -1.254 120.008 121.223 0.065 0.000 1.994 510 L HA -0.141 4.138 4.340 -0.101 0.000 0.208 510 L C 2.119 178.991 176.870 0.003 0.000 1.071 510 L CA 1.951 56.824 54.840 0.054 0.000 0.745 510 L CB -1.597 40.509 42.059 0.078 0.000 0.892 510 L HN -0.140 nan 8.230 nan 0.000 0.431 511 L N -0.149 121.067 121.223 -0.011 0.000 2.046 511 L HA -0.099 4.181 4.340 -0.101 0.000 0.208 511 L C 2.700 179.503 176.870 -0.112 0.000 1.077 511 L CA 1.983 56.792 54.840 -0.051 0.000 0.747 511 L CB -1.643 40.377 42.059 -0.065 0.000 0.896 511 L HN 0.358 nan 8.230 nan 0.000 0.432 512 A N -1.424 121.328 122.820 -0.112 0.000 1.917 512 A HA -0.327 3.932 4.320 -0.101 0.000 0.219 512 A C 2.615 179.923 177.584 -0.460 0.000 1.182 512 A CA 1.991 53.943 52.037 -0.143 0.000 0.633 512 A CB -1.452 17.568 19.000 0.034 0.000 0.819 512 A HN 0.619 nan 8.150 nan 0.000 0.448 513 c N -0.410 117.882 118.600 -0.513 0.000 2.473 513 c HA -0.034 4.476 4.570 -0.101 0.000 0.279 513 c C 2.603 176.270 174.090 -0.705 0.000 1.250 513 c CA 1.227 56.860 56.329 -1.161 0.000 1.713 513 c CB -1.579 40.620 42.510 -0.518 0.000 2.066 513 c HN 0.580 nan 8.230 nan 0.000 0.474 514 L N 0.581 121.670 121.223 -0.224 0.000 2.012 514 L HA -0.160 4.119 4.340 -0.101 0.000 0.210 514 L C 2.769 179.693 176.870 0.088 0.000 1.073 514 L CA 1.641 56.500 54.840 0.032 0.000 0.748 514 L CB -0.725 41.339 42.059 0.009 0.000 0.891 514 L HN 0.440 nan 8.230 nan 0.000 0.431 515 L N -0.585 120.650 121.223 0.020 0.000 2.005 515 L HA -0.118 4.161 4.340 -0.101 0.000 0.207 515 L C 2.747 179.707 176.870 0.149 0.000 1.072 515 L CA 1.424 56.365 54.840 0.168 0.000 0.744 515 L CB -1.249 40.885 42.059 0.124 0.000 0.895 515 L HN 0.318 nan 8.230 nan 0.000 0.433 516 G N -0.084 108.667 108.800 -0.082 0.000 2.476 516 G HA2 -0.283 3.616 3.960 -0.101 0.000 0.218 516 G HA3 -0.283 3.616 3.960 -0.101 0.000 0.218 516 G C 1.731 176.673 174.900 0.071 0.000 1.164 516 G CA 0.739 45.824 45.100 -0.024 0.000 0.768 516 G HN 0.290 nan 8.290 nan 0.000 0.560 517 R N -0.493 119.958 120.500 -0.082 0.000 2.096 517 R HA -0.056 4.224 4.340 -0.101 0.000 0.235 517 R C 2.659 179.027 176.300 0.114 0.000 1.127 517 R CA 1.444 57.558 56.100 0.022 0.000 0.968 517 R CB -0.275 29.939 30.300 -0.143 0.000 0.861 517 R HN 0.373 nan 8.270 nan 0.000 0.440 518 Q N 0.114 119.993 119.800 0.131 0.000 2.084 518 Q HA -0.115 4.164 4.340 -0.101 0.000 0.202 518 Q C 1.521 177.375 176.000 -0.243 0.000 0.978 518 Q CA 1.717 57.452 55.803 -0.113 0.000 0.844 518 Q CB -0.134 28.175 28.738 -0.715 0.000 0.898 518 Q HN 0.214 nan 8.270 nan 0.000 0.426 519 F N 0.520 120.456 119.950 -0.023 0.000 2.259 519 F HA -0.079 4.388 4.527 -0.100 0.000 0.298 519 F C 2.436 178.373 175.800 0.228 0.000 1.088 519 F CA 1.309 59.372 58.000 0.104 0.000 1.358 519 F CB -0.489 38.499 39.000 -0.020 0.000 1.040 519 F HN 0.251 nan 8.300 nan 0.000 0.505 520 Q N 0.740 120.736 119.800 0.327 0.000 2.084 520 Q HA -0.241 4.038 4.340 -0.101 0.000 0.202 520 Q C 1.946 178.034 176.000 0.147 0.000 0.978 520 Q CA 1.858 57.807 55.803 0.243 0.000 0.844 520 Q CB -0.240 28.622 28.738 0.208 0.000 0.898 520 Q HN 0.509 nan 8.270 nan 0.000 0.426 521 Q N 0.433 120.309 119.800 0.126 0.000 2.046 521 Q HA -0.102 4.178 4.340 -0.101 0.000 0.200 521 Q C 2.310 178.370 176.000 0.100 0.000 0.975 521 Q CA 1.621 57.484 55.803 0.101 0.000 0.836 521 Q CB -0.297 28.508 28.738 0.112 0.000 0.896 521 Q HN 0.631 nan 8.270 nan 0.000 0.428 522 I N -1.518 119.105 120.570 0.089 0.000 2.567 522 I HA -0.183 3.926 4.170 -0.101 0.000 0.257 522 I C 2.363 178.560 176.117 0.134 0.000 1.184 522 I CA 1.199 62.576 61.300 0.129 0.000 1.451 522 I CB -0.314 37.759 38.000 0.121 0.000 1.089 522 I HN 0.087 nan 8.210 nan 0.000 0.441 523 R N 1.469 121.928 120.500 -0.068 0.000 2.052 523 R HA -0.093 4.186 4.340 -0.101 0.000 0.224 523 R C 1.800 177.906 176.300 -0.323 0.000 1.149 523 R CA 1.644 57.352 56.100 -0.654 0.000 0.962 523 R CB -0.105 29.552 30.300 -1.071 0.000 0.856 523 R HN 0.268 nan 8.270 nan 0.000 0.433 524 D N -0.407 119.954 120.400 -0.065 0.000 2.218 524 D HA -0.073 4.506 4.640 -0.101 0.000 0.204 524 D C 1.260 177.701 176.300 0.235 0.000 0.976 524 D CA 1.349 55.417 54.000 0.113 0.000 0.853 524 D CB -0.138 40.706 40.800 0.075 0.000 0.939 524 D HN 0.511 nan 8.370 nan 0.000 0.481 525 G N -0.289 108.666 108.800 0.259 0.000 3.434 525 G HA2 -0.013 3.886 3.960 -0.101 0.000 0.258 525 G HA3 -0.013 3.886 3.960 -0.101 0.000 0.258 525 G C -0.208 175.038 174.900 0.575 0.000 1.128 525 G CA -0.287 45.055 45.100 0.403 0.000 0.792 525 G HN -0.030 nan 8.290 nan 0.000 0.539 526 D N 0.271 120.950 120.400 0.464 0.000 2.443 526 D HA 0.198 4.778 4.640 -0.101 0.000 0.221 526 D C 1.502 177.788 176.300 -0.024 0.000 1.097 526 D CA -0.728 53.479 54.000 0.345 0.000 0.865 526 D CB 1.062 42.168 40.800 0.511 0.000 1.034 526 D HN 0.089 nan 8.370 nan 0.000 0.511 527 R N 2.709 122.886 120.500 -0.538 0.000 2.200 527 R HA -0.088 4.191 4.340 -0.101 0.000 0.234 527 R C 0.688 176.510 176.300 -0.797 0.000 1.127 527 R CA 1.282 56.696 56.100 -1.144 0.000 0.989 527 R CB -0.073 29.476 30.300 -1.252 0.000 0.869 527 R HN 0.384 nan 8.270 nan 0.000 0.459 528 F N -0.610 119.222 119.950 -0.198 0.000 2.645 528 F HA 0.147 4.611 4.527 -0.104 0.000 0.300 528 F C 0.425 176.268 175.800 0.071 0.000 1.115 528 F CA -0.804 57.140 58.000 -0.094 0.000 1.355 528 F CB 0.050 38.972 39.000 -0.129 0.000 1.026 528 F HN 0.099 nan 8.300 nan 0.000 0.536 529 W N 3.200 124.526 121.300 0.043 0.000 2.343 529 W HA -0.150 4.466 4.660 -0.072 0.000 0.337 529 W C 1.362 177.929 176.519 0.079 0.000 1.320 529 W CA -0.580 56.791 57.345 0.043 0.000 1.290 529 W CB 0.414 29.795 29.460 -0.132 0.000 1.206 529 W HN 0.516 nan 8.180 nan 0.000 0.565 530 W N 4.851 125.792 121.300 -0.599 0.000 2.341 530 W HA -0.209 4.425 4.660 -0.044 0.000 0.283 530 W C 0.426 176.909 176.519 -0.060 0.000 1.215 530 W CA 1.414 58.644 57.345 -0.192 0.000 1.211 530 W CB -0.596 28.694 29.460 -0.284 0.000 1.131 530 W HN 0.473 nan 8.180 nan 0.000 0.552 531 E N 0.652 120.118 120.200 -1.222 0.000 2.465 531 E HA -0.060 4.229 4.350 -0.101 0.000 0.191 531 E C -0.101 176.505 176.600 0.010 0.000 1.053 531 E CA -0.244 55.670 56.400 -0.810 0.000 0.869 531 E CB -0.251 28.961 29.700 -0.814 0.000 0.977 531 E HN 0.028 nan 8.360 nan 0.000 0.483 532 N N 2.713 121.487 118.700 0.123 0.000 2.401 532 N HA 0.045 4.725 4.740 -0.101 0.000 0.255 532 N C -2.501 173.064 175.510 0.091 0.000 1.110 532 N CA -2.033 51.152 53.050 0.225 0.000 0.949 532 N CB 0.586 39.192 38.487 0.199 0.000 1.110 532 N HN -0.142 nan 8.380 nan 0.000 0.490 533 P HA 0.005 nan 4.420 nan 0.000 0.259 533 P C 0.732 178.038 177.300 0.010 0.000 1.163 533 P CA 0.870 63.993 63.100 0.039 0.000 0.760 533 P CB 0.308 32.023 31.700 0.026 0.000 0.762 534 G N 1.730 110.534 108.800 0.007 0.000 2.259 534 G HA2 -0.287 3.612 3.960 -0.101 0.000 0.217 534 G HA3 -0.287 3.612 3.960 -0.101 0.000 0.217 534 G C 0.809 175.676 174.900 -0.054 0.000 1.001 534 G CA 0.105 45.190 45.100 -0.025 0.000 0.627 534 G HN 0.385 nan 8.290 nan 0.000 0.501 535 V N -0.137 119.743 119.914 -0.057 0.000 2.346 535 V HA 0.362 4.422 4.120 -0.101 0.000 0.244 535 V C 1.201 177.120 176.094 -0.292 0.000 1.037 535 V CA 1.776 63.982 62.300 -0.157 0.000 1.029 535 V CB -0.323 31.432 31.823 -0.113 0.000 0.663 535 V HN 0.295 nan 8.190 nan 0.000 0.454 536 F N -0.524 119.469 119.950 0.072 0.000 2.577 536 F HA 0.492 5.004 4.527 -0.024 0.000 0.318 536 F C 0.601 176.396 175.800 -0.009 0.000 1.065 536 F CA -0.874 57.158 58.000 0.054 0.000 0.929 536 F CB 1.817 40.901 39.000 0.139 0.000 1.237 536 F HN -0.090 nan 8.300 nan 0.000 0.468 537 T N -2.061 112.577 114.554 0.141 0.000 2.882 537 T HA 0.215 4.504 4.350 -0.101 0.000 0.287 537 T C 0.844 175.563 174.700 0.032 0.000 1.014 537 T CA -0.580 61.541 62.100 0.035 0.000 1.049 537 T CB 1.246 70.089 68.868 -0.041 0.000 1.001 537 T HN 0.724 nan 8.240 nan 0.000 0.525 538 E N 0.700 120.914 120.200 0.023 0.000 2.114 538 E HA -0.220 4.069 4.350 -0.101 0.000 0.199 538 E C 2.010 178.617 176.600 0.011 0.000 1.008 538 E CA 1.510 57.928 56.400 0.029 0.000 0.810 538 E CB -0.146 29.567 29.700 0.021 0.000 0.739 538 E HN 0.649 nan 8.360 nan 0.000 0.456 539 K N 0.313 120.693 120.400 -0.033 0.000 2.288 539 K HA -0.113 4.146 4.320 -0.101 0.000 0.201 539 K C 2.073 178.595 176.600 -0.129 0.000 1.048 539 K CA 0.805 57.057 56.287 -0.058 0.000 0.956 539 K CB 0.121 32.581 32.500 -0.067 0.000 0.746 539 K HN 0.109 nan 8.250 nan 0.000 0.461 540 Q N -0.378 119.282 119.800 -0.232 0.000 2.269 540 Q HA 0.008 4.287 4.340 -0.101 0.000 0.201 540 Q C 1.744 177.682 176.000 -0.103 0.000 0.946 540 Q CA 0.744 56.264 55.803 -0.473 0.000 0.877 540 Q CB 0.307 28.613 28.738 -0.720 0.000 0.963 540 Q HN 0.182 nan 8.270 nan 0.000 0.472 541 R N 0.365 120.890 120.500 0.041 0.000 2.115 541 R HA -0.077 4.203 4.340 -0.101 0.000 0.226 541 R C 1.175 177.594 176.300 0.197 0.000 1.100 541 R CA 1.073 57.308 56.100 0.224 0.000 0.980 541 R CB 0.043 30.511 30.300 0.280 0.000 0.875 541 R HN 0.215 nan 8.270 nan 0.000 0.445 542 D N -0.012 120.456 120.400 0.114 0.000 2.178 542 D HA -0.102 4.477 4.640 -0.101 0.000 0.202 542 D C 1.814 178.168 176.300 0.090 0.000 0.974 542 D CA 1.093 55.153 54.000 0.100 0.000 0.841 542 D CB -0.066 40.774 40.800 0.067 0.000 0.953 542 D HN -0.001 nan 8.370 nan 0.000 0.478 543 S N -0.470 115.292 115.700 0.103 0.000 2.357 543 S HA 0.000 4.410 4.470 -0.101 0.000 0.221 543 S C 1.943 176.600 174.600 0.095 0.000 1.031 543 S CA 0.386 58.670 58.200 0.140 0.000 0.982 543 S CB -0.200 63.181 63.200 0.301 0.000 0.853 543 S HN 0.163 nan 8.310 nan 0.000 0.458 544 L N 1.436 122.703 121.223 0.074 0.000 2.353 544 L HA -0.075 4.204 4.340 -0.101 0.000 0.220 544 L C 2.531 179.295 176.870 -0.176 0.000 1.133 544 L CA 0.858 55.642 54.840 -0.093 0.000 0.798 544 L CB -0.443 41.466 42.059 -0.250 0.000 0.922 544 L HN 0.438 nan 8.230 nan 0.000 0.445 545 Q N 0.029 119.787 119.800 -0.069 0.000 2.369 545 Q HA -0.136 4.144 4.340 -0.101 0.000 0.206 545 Q C 1.531 177.513 176.000 -0.030 0.000 0.963 545 Q CA 0.805 56.580 55.803 -0.047 0.000 0.894 545 Q CB 0.020 28.800 28.738 0.070 0.000 0.965 545 Q HN 0.500 nan 8.270 nan 0.000 0.475 546 K N 0.960 121.349 120.400 -0.019 0.000 2.404 546 K HA 0.063 4.322 4.320 -0.101 0.000 0.194 546 K C 0.581 177.167 176.600 -0.024 0.000 1.023 546 K CA -0.104 56.175 56.287 -0.012 0.000 1.094 546 K CB 0.377 32.878 32.500 0.001 0.000 0.841 546 K HN 0.061 nan 8.250 nan 0.000 0.523 547 V N 0.223 120.115 119.914 -0.036 0.000 2.788 547 V HA 0.086 4.145 4.120 -0.101 0.000 0.307 547 V C -0.175 175.917 176.094 -0.003 0.000 1.069 547 V CA -0.387 61.919 62.300 0.011 0.000 1.173 547 V CB 0.944 32.798 31.823 0.053 0.000 0.925 547 V HN 0.141 nan 8.190 nan 0.000 0.492 548 S N 3.240 118.965 115.700 0.042 0.000 2.541 548 S HA 0.542 4.952 4.470 -0.101 0.000 0.271 548 S C -0.283 174.347 174.600 0.050 0.000 1.133 548 S CA -0.451 57.750 58.200 0.002 0.000 0.876 548 S CB 1.554 64.727 63.200 -0.045 0.000 1.105 548 S HN 0.786 nan 8.310 nan 0.000 0.470 549 F N 2.156 122.027 119.950 -0.132 0.000 2.325 549 F HA -0.042 4.428 4.527 -0.094 0.000 0.299 549 F C 2.305 178.032 175.800 -0.123 0.000 1.090 549 F CA 1.536 59.462 58.000 -0.124 0.000 1.392 549 F CB -0.248 38.526 39.000 -0.375 0.000 1.053 549 F HN 0.621 nan 8.300 nan 0.000 0.521 550 S N 0.302 115.992 115.700 -0.017 0.000 2.359 550 S HA -0.266 4.144 4.470 -0.101 0.000 0.224 550 S C 1.976 176.505 174.600 -0.119 0.000 1.035 550 S CA 1.580 59.741 58.200 -0.066 0.000 1.018 550 S CB -0.414 62.725 63.200 -0.101 0.000 0.876 550 S HN 0.330 nan 8.310 nan 0.000 0.448 551 R N 1.356 121.785 120.500 -0.119 0.000 2.073 551 R HA 0.003 4.283 4.340 -0.101 0.000 0.234 551 R C 2.182 178.360 176.300 -0.204 0.000 1.134 551 R CA 1.179 57.200 56.100 -0.130 0.000 0.952 551 R CB -0.983 29.258 30.300 -0.098 0.000 0.850 551 R HN 0.373 nan 8.270 nan 0.000 0.433 552 L N 0.178 121.229 121.223 -0.287 0.000 2.051 552 L HA -0.205 4.075 4.340 -0.101 0.000 0.214 552 L C 1.808 178.434 176.870 -0.407 0.000 1.076 552 L CA 1.676 56.252 54.840 -0.439 0.000 0.758 552 L CB -0.384 41.276 42.059 -0.665 0.000 0.890 552 L HN 0.264 nan 8.230 nan 0.000 0.433 553 I N -0.856 119.482 120.570 -0.388 0.000 2.113 553 I HA -0.324 3.786 4.170 -0.101 0.000 0.238 553 I C 2.693 178.705 176.117 -0.174 0.000 1.070 553 I CA 1.456 62.604 61.300 -0.253 0.000 1.332 553 I CB -1.822 36.099 38.000 -0.132 0.000 1.044 553 I HN 0.390 nan 8.210 nan 0.000 0.402 554 c N 1.133 119.652 118.600 -0.134 0.000 2.391 554 c HA -0.212 4.298 4.570 -0.101 0.000 0.276 554 c C 2.278 176.295 174.090 -0.122 0.000 1.217 554 c CA 1.002 57.272 56.329 -0.098 0.000 1.766 554 c CB -1.116 41.349 42.510 -0.075 0.000 2.046 554 c HN 0.515 nan 8.230 nan 0.000 0.475 555 D N -0.021 120.286 120.400 -0.155 0.000 2.347 555 D HA -0.012 4.567 4.640 -0.101 0.000 0.215 555 D C 1.109 177.302 176.300 -0.179 0.000 0.976 555 D CA 0.796 54.703 54.000 -0.156 0.000 0.884 555 D CB -0.434 40.264 40.800 -0.169 0.000 0.915 555 D HN 0.611 nan 8.370 nan 0.000 0.526 556 N N 0.085 118.660 118.700 -0.209 0.000 2.241 556 N HA 0.034 4.713 4.740 -0.101 0.000 0.238 556 N C 0.046 175.399 175.510 -0.260 0.000 1.244 556 N CA 0.156 53.071 53.050 -0.224 0.000 0.880 556 N CB 1.783 40.135 38.487 -0.225 0.000 1.179 556 N HN 0.172 nan 8.380 nan 0.000 0.513 557 T N -3.127 111.252 114.554 -0.291 0.000 2.731 557 T HA 0.323 4.612 4.350 -0.101 0.000 0.300 557 T C -0.527 173.923 174.700 -0.418 0.000 1.283 557 T CA -0.507 61.379 62.100 -0.358 0.000 1.005 557 T CB 1.419 70.171 68.868 -0.193 0.000 1.420 557 T HN 0.055 nan 8.240 nan 0.000 0.503 558 H N -0.387 118.643 119.070 -0.066 0.000 2.503 558 H HA 0.511 5.009 4.556 -0.098 0.000 0.296 558 H C -0.256 175.037 175.328 -0.059 0.000 1.097 558 H CA -0.403 55.604 56.048 -0.069 0.000 1.055 558 H CB -0.260 29.441 29.762 -0.101 0.000 1.580 558 H HN 0.318 nan 8.280 nan 0.000 0.546 559 I N 1.354 121.930 120.570 0.010 0.000 2.331 559 I HA 0.065 4.174 4.170 -0.101 0.000 0.292 559 I C 1.059 177.213 176.117 0.061 0.000 0.998 559 I CA -0.108 61.213 61.300 0.035 0.000 1.267 559 I CB 1.659 39.680 38.000 0.036 0.000 1.386 559 I HN 0.310 nan 8.210 nan 0.000 0.476 560 T N 1.041 115.651 114.554 0.094 0.000 2.985 560 T HA 0.249 4.539 4.350 -0.101 0.000 0.254 560 T C 0.552 175.338 174.700 0.143 0.000 1.021 560 T CA -0.171 61.984 62.100 0.093 0.000 0.957 560 T CB 0.215 69.130 68.868 0.078 0.000 1.047 560 T HN 0.230 nan 8.240 nan 0.000 0.511 561 K N 2.637 123.176 120.400 0.232 0.000 2.394 561 K HA 0.655 4.914 4.320 -0.101 0.000 0.260 561 K C -0.654 176.226 176.600 0.466 0.000 0.967 561 K CA -0.577 55.918 56.287 0.348 0.000 0.855 561 K CB 2.183 34.953 32.500 0.450 0.000 1.101 561 K HN 0.328 nan 8.250 nan 0.000 0.433 562 V N -0.061 120.037 119.914 0.307 0.000 3.049 562 V HA 0.681 4.740 4.120 -0.101 0.000 0.309 562 V C -2.731 173.210 176.094 -0.254 0.000 1.148 562 V CA -2.429 59.947 62.300 0.126 0.000 0.990 562 V CB 2.453 34.305 31.823 0.048 0.000 1.039 562 V HN 0.470 nan 8.190 nan 0.000 0.430 563 P HA 0.245 nan 4.420 nan 0.000 0.274 563 P C 0.182 177.259 177.300 -0.371 0.000 1.246 563 P CA -0.222 62.479 63.100 -0.666 0.000 0.795 563 P CB 1.736 32.999 31.700 -0.728 0.000 1.006 564 L N 0.896 121.896 121.223 -0.371 0.000 2.249 564 L HA 0.076 4.355 4.340 -0.101 0.000 0.207 564 L C 1.129 177.646 176.870 -0.589 0.000 1.090 564 L CA 1.446 56.010 54.840 -0.460 0.000 0.802 564 L CB -0.815 40.917 42.059 -0.544 0.000 0.947 564 L HN 0.407 nan 8.230 nan 0.000 0.453 565 H N -0.770 118.212 119.070 -0.146 0.000 2.530 565 H HA 0.409 4.905 4.556 -0.100 0.000 0.246 565 H C 1.038 176.271 175.328 -0.158 0.000 1.346 565 H CA 0.220 56.203 56.048 -0.109 0.000 1.424 565 H CB 0.816 30.540 29.762 -0.063 0.000 1.445 565 H HN 0.106 nan 8.280 nan 0.000 0.511 566 A N 1.709 124.417 122.820 -0.185 0.000 2.234 566 A HA -0.131 4.128 4.320 -0.101 0.000 0.216 566 A C 1.133 178.534 177.584 -0.306 0.000 1.167 566 A CA 1.029 52.894 52.037 -0.286 0.000 0.698 566 A CB -0.560 18.238 19.000 -0.337 0.000 0.779 566 A HN 0.343 nan 8.150 nan 0.000 0.475 567 F N -0.075 119.867 119.950 -0.013 0.000 2.530 567 F HA 0.095 4.559 4.527 -0.105 0.000 0.292 567 F C 1.653 177.439 175.800 -0.023 0.000 1.109 567 F CA 0.408 58.420 58.000 0.019 0.000 1.450 567 F CB -0.267 38.773 39.000 0.067 0.000 1.114 567 F HN 0.439 nan 8.300 nan 0.000 0.560 568 Q N 1.019 120.894 119.800 0.126 0.000 2.396 568 Q HA 0.571 4.851 4.340 -0.101 0.000 0.221 568 Q C -0.199 175.814 176.000 0.021 0.000 1.025 568 Q CA -0.683 55.135 55.803 0.025 0.000 0.946 568 Q CB 0.939 29.673 28.738 -0.007 0.000 1.224 568 Q HN 0.104 nan 8.270 nan 0.000 0.539 569 A N 1.973 124.797 122.820 0.008 0.000 2.409 569 A HA 0.331 4.590 4.320 -0.101 0.000 0.267 569 A C -0.958 176.639 177.584 0.023 0.000 1.127 569 A CA -0.523 51.534 52.037 0.033 0.000 0.795 569 A CB -0.414 18.608 19.000 0.036 0.000 1.061 569 A HN 0.778 nan 8.150 nan 0.000 0.502 570 N N 2.039 120.766 118.700 0.045 0.000 2.284 570 N HA 0.385 5.064 4.740 -0.101 0.000 0.300 570 N C -1.272 174.365 175.510 0.211 0.000 1.047 570 N CA -0.798 52.276 53.050 0.039 0.000 0.821 570 N CB 1.423 39.818 38.487 -0.154 0.000 1.337 570 N HN 0.604 nan 8.380 nan 0.000 0.482 571 N N 1.137 119.952 118.700 0.192 0.000 2.438 571 N HA 0.134 4.813 4.740 -0.101 0.000 0.282 571 N C -1.263 174.415 175.510 0.280 0.000 1.037 571 N CA -0.316 52.867 53.050 0.223 0.000 0.942 571 N CB 1.043 39.614 38.487 0.139 0.000 1.136 571 N HN 0.522 nan 8.380 nan 0.000 0.481 572 Y N 4.096 124.388 120.300 -0.012 0.000 2.319 572 Y HA 0.294 4.783 4.550 -0.103 0.000 0.328 572 Y C -1.204 174.625 175.900 -0.119 0.000 1.133 572 Y CA -1.284 56.586 58.100 -0.382 0.000 1.265 572 Y CB 1.066 38.951 38.460 -0.960 0.000 1.218 572 Y HN 0.489 nan 8.280 nan 0.000 0.508 573 P HA -0.017 nan 4.420 nan 0.000 0.259 573 P C 0.937 178.061 177.300 -0.294 0.000 1.233 573 P CA 0.689 63.046 63.100 -1.238 0.000 0.827 573 P CB 0.265 31.203 31.700 -1.270 0.000 1.154 574 H N 2.367 121.315 119.070 -0.202 0.000 2.321 574 H HA -0.143 4.353 4.556 -0.099 0.000 0.295 574 H C 0.700 176.024 175.328 -0.008 0.000 1.102 574 H CA 2.073 58.075 56.048 -0.076 0.000 1.266 574 H CB -0.611 29.125 29.762 -0.044 0.000 1.363 574 H HN 0.001 nan 8.280 nan 0.000 0.492 575 D N -0.663 119.705 120.400 -0.055 0.000 2.336 575 D HA 0.062 4.641 4.640 -0.101 0.000 0.228 575 D C -0.519 175.694 176.300 -0.145 0.000 1.120 575 D CA 0.059 53.955 54.000 -0.173 0.000 0.839 575 D CB -0.219 40.469 40.800 -0.187 0.000 0.932 575 D HN 0.153 nan 8.370 nan 0.000 0.509 576 F N 0.560 120.424 119.950 -0.144 0.000 2.522 576 F HA 0.422 4.890 4.527 -0.098 0.000 0.324 576 F C 0.421 176.186 175.800 -0.057 0.000 1.077 576 F CA -1.304 56.648 58.000 -0.081 0.000 0.944 576 F CB 1.836 40.820 39.000 -0.027 0.000 1.175 576 F HN -0.295 nan 8.300 nan 0.000 0.468 577 V N -1.449 118.536 119.914 0.119 0.000 3.114 577 V HA 0.499 4.559 4.120 -0.101 0.000 0.308 577 V C -0.867 175.280 176.094 0.087 0.000 1.168 577 V CA -1.045 61.297 62.300 0.071 0.000 1.015 577 V CB 1.853 33.677 31.823 0.001 0.000 1.050 577 V HN 0.714 nan 8.190 nan 0.000 0.433 578 D N 0.812 121.253 120.400 0.069 0.000 2.455 578 D HA 0.081 4.660 4.640 -0.101 0.000 0.241 578 D C 1.142 177.464 176.300 0.036 0.000 1.138 578 D CA 0.307 54.346 54.000 0.065 0.000 0.877 578 D CB 1.736 42.566 40.800 0.049 0.000 1.187 578 D HN 0.798 nan 8.370 nan 0.000 0.451 579 c N 2.140 120.763 118.600 0.037 0.000 2.403 579 c HA -0.136 4.374 4.570 -0.101 0.000 0.282 579 c C 2.761 176.847 174.090 -0.005 0.000 1.297 579 c CA 0.587 56.921 56.329 0.008 0.000 1.785 579 c CB -0.946 41.568 42.510 0.006 0.000 1.963 579 c HN 0.632 nan 8.230 nan 0.000 0.507 580 S N -0.616 115.086 115.700 0.003 0.000 2.493 580 S HA -0.153 4.256 4.470 -0.101 0.000 0.243 580 S C 1.752 176.347 174.600 -0.008 0.000 0.991 580 S CA 1.423 59.621 58.200 -0.003 0.000 0.957 580 S CB -0.273 62.929 63.200 0.004 0.000 0.756 580 S HN 0.740 nan 8.310 nan 0.000 0.521 581 T N 1.021 115.569 114.554 -0.010 0.000 3.069 581 T HA 0.229 4.519 4.350 -0.101 0.000 0.252 581 T C 0.216 174.898 174.700 -0.029 0.000 1.053 581 T CA 0.061 62.151 62.100 -0.016 0.000 0.964 581 T CB 0.275 69.135 68.868 -0.013 0.000 1.005 581 T HN 0.005 nan 8.240 nan 0.000 0.532 582 V N 2.962 122.855 119.914 -0.036 0.000 2.432 582 V HA 0.233 4.293 4.120 -0.101 0.000 0.275 582 V C -0.162 175.905 176.094 -0.045 0.000 1.043 582 V CA -1.128 61.142 62.300 -0.050 0.000 0.925 582 V CB 1.154 32.940 31.823 -0.062 0.000 0.985 582 V HN 0.350 nan 8.190 nan 0.000 0.466 583 D N 4.041 124.416 120.400 -0.042 0.000 2.601 583 D HA 0.053 4.632 4.640 -0.101 0.000 0.229 583 D C 0.088 176.364 176.300 -0.041 0.000 1.140 583 D CA 1.040 55.020 54.000 -0.033 0.000 0.862 583 D CB 0.372 41.156 40.800 -0.027 0.000 1.192 583 D HN 0.498 nan 8.370 nan 0.000 0.480 584 K N 0.908 121.287 120.400 -0.036 0.000 2.281 584 K HA 0.482 4.741 4.320 -0.101 0.000 0.242 584 K C -0.741 175.833 176.600 -0.043 0.000 0.971 584 K CA -1.267 54.990 56.287 -0.050 0.000 0.834 584 K CB 1.696 34.166 32.500 -0.050 0.000 1.181 584 K HN 0.226 nan 8.250 nan 0.000 0.435 585 L N 1.889 123.072 121.223 -0.068 0.000 2.361 585 L HA 0.138 4.418 4.340 -0.101 0.000 0.278 585 L C -0.634 176.207 176.870 -0.050 0.000 1.113 585 L CA 0.240 55.039 54.840 -0.068 0.000 0.849 585 L CB 0.277 42.255 42.059 -0.135 0.000 1.155 585 L HN 0.481 nan 8.230 nan 0.000 0.452 586 D N 4.074 124.487 120.400 0.021 0.000 2.313 586 D HA 0.197 4.777 4.640 -0.101 0.000 0.239 586 D C 0.679 177.073 176.300 0.157 0.000 1.142 586 D CA 0.042 54.081 54.000 0.065 0.000 0.847 586 D CB 0.766 41.618 40.800 0.087 0.000 1.082 586 D HN 0.661 nan 8.370 nan 0.000 0.480 587 L N 2.583 123.856 121.223 0.083 0.000 2.529 587 L HA -0.010 4.269 4.340 -0.101 0.000 0.223 587 L C 2.290 179.364 176.870 0.340 0.000 1.113 587 L CA 0.201 55.136 54.840 0.159 0.000 0.861 587 L CB -0.203 41.792 42.059 -0.107 0.000 1.012 587 L HN 0.416 nan 8.230 nan 0.000 0.461 588 S N 0.337 116.151 115.700 0.190 0.000 2.407 588 S HA -0.144 4.266 4.470 -0.101 0.000 0.235 588 S C -0.649 174.053 174.600 0.171 0.000 1.036 588 S CA 0.951 59.233 58.200 0.138 0.000 1.013 588 S CB -1.772 61.473 63.200 0.076 0.000 0.820 588 S HN 0.271 nan 8.310 nan 0.000 0.476 589 P HA 0.007 nan 4.420 nan 0.000 0.234 589 P C 0.605 177.876 177.300 -0.048 0.000 1.167 589 P CA 0.724 63.844 63.100 0.034 0.000 0.763 589 P CB -0.183 31.462 31.700 -0.091 0.000 0.835 590 W N -0.716 120.614 121.300 0.050 0.000 3.278 590 W HA 0.396 5.008 4.660 -0.081 0.000 0.308 590 W C 0.370 176.900 176.519 0.019 0.000 1.253 590 W CA -0.480 56.922 57.345 0.094 0.000 1.759 590 W CB 0.101 29.629 29.460 0.114 0.000 1.093 590 W HN -0.150 nan 8.180 nan 0.000 0.648 591 A N 1.243 124.141 122.820 0.131 0.000 2.451 591 A HA 0.311 4.571 4.320 -0.101 0.000 0.266 591 A C 0.203 177.804 177.584 0.027 0.000 1.119 591 A CA 0.561 52.600 52.037 0.004 0.000 0.786 591 A CB 0.205 19.207 19.000 0.005 0.000 1.061 591 A HN -0.016 nan 8.150 nan 0.000 0.503 592 S N 2.883 118.591 115.700 0.014 0.000 2.577 592 S HA 0.339 4.749 4.470 -0.101 0.000 0.294 592 S C 0.397 175.074 174.600 0.127 0.000 1.161 592 S CA -0.586 57.687 58.200 0.121 0.000 1.143 592 S CB 0.397 63.764 63.200 0.279 0.000 0.991 592 S HN 0.796 nan 8.310 nan 0.000 0.475 593 R N 2.148 122.692 120.500 0.074 0.000 2.747 593 R HA 0.403 4.682 4.340 -0.101 0.000 0.278 593 R C 0.504 176.828 176.300 0.040 0.000 1.153 593 R CA -0.532 55.592 56.100 0.039 0.000 1.206 593 R CB 0.362 30.673 30.300 0.018 0.000 1.161 593 R HN 0.567 nan 8.270 nan 0.000 0.589 594 E N 0.230 120.428 120.200 -0.002 0.000 2.429 594 E HA 0.307 4.597 4.350 -0.101 0.000 0.276 594 E C -0.775 175.819 176.600 -0.011 0.000 0.953 594 E CA -1.111 55.285 56.400 -0.008 0.000 0.787 594 E CB 1.115 30.782 29.700 -0.055 0.000 1.307 594 E HN 0.510 nan 8.360 nan 0.000 0.458 595 N N 0.000 118.698 118.700 -0.004 0.000 1.763 595 N HA 0.000 4.680 4.740 -0.101 0.000 0.220 595 N CA 0.000 53.048 53.050 -0.004 0.000 0.885 595 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667