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 1ggt_1_A DATA FIRST_RESID 8 DATA SEQUENCE FGGRRAVPPN NSNAAEDDLP TVEXXXXXXX XXXXXEFLNV TSVHLFKERW DATA SEQUENCE DTNKVDHHTD KYENNKLIVR RGQSFYVQID FSRPYDPRRD LFRVEYVIGR DATA SEQUENCE YPQENKGTYI PVPIVSELQS GKWGAKIVMR EDRSVRLSIQ SSPKCIVGKF DATA SEQUENCE RMYVAVWTPY GVLRTSRNPE TDTYILFNPW CEDDAVYLDN EKEREEYVLN DATA SEQUENCE DIGVIFYGEV NDIKTRSWSY GQFEDGILDT CLYVMDRAQM DLSGRGNPIK DATA SEQUENCE VSRVGSAMVN AKDDEGVLVG SWDNIYAYGV PPSAWTGSVD ILLEYRSSEN DATA SEQUENCE PVRYGQCWVF AGVFNTFLRC LGIPARIVTN YFSAHDNDAN LQMDIFLEED DATA SEQUENCE GNVNSKLTKD SVWNYHCWNE AWMTRPDLPV GFGGWQAVDS TPQENSDGMY DATA SEQUENCE RCGPASVQAI KHGHVCFQFD APFVFAEVNS DLIYITAKKD GTHVVENVDA DATA SEQUENCE THIGKLIVTK QIGGDGMMDI TDTYKFQEGQ EEERLALETA LMYGAKKPLN DATA SEQUENCE TEGVMKSRSN VDMDFEVENA VLGKDFKLSI TFRNNSHNRY TITAYLSANI DATA SEQUENCE TFYTGVPKAE FKKETFDVTL EPLSFKKEAV LIQAGEYMGQ LLEQASLHFF DATA SEQUENCE VTARINETRD VLAKQKSTVL TIPEIIIKVR GTQVVGSDMT VTVEFTNPLK DATA SEQUENCE ETLRNVWVHL DGPGVTRPMK KMFREIRPNS TVQWEEVCRP WVSGHRKLIA DATA SEQUENCE SMSSDSLRHV YGELDVQIQR RP 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 8 F HA 0.000 nan 4.527 nan 0.000 0.279 8 F C 0.000 175.791 175.800 -0.016 0.000 0.967 8 F CA 0.000 57.993 58.000 -0.012 0.000 1.383 8 F CB 0.000 38.995 39.000 -0.009 0.000 1.145 9 G N 0.209 109.095 108.800 0.142 0.000 3.446 9 G HA2 0.497 4.457 3.960 -0.000 0.000 0.314 9 G HA3 0.497 4.457 3.960 -0.000 0.000 0.314 9 G C 0.580 175.489 174.900 0.015 0.000 1.539 9 G CA 0.029 45.127 45.100 -0.002 0.000 0.848 9 G HN 0.686 nan 8.290 nan 0.000 0.488 10 G N 1.176 109.981 108.800 0.007 0.000 2.683 10 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.213 10 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.213 10 G C 1.624 176.518 174.900 -0.010 0.000 1.142 10 G CA 0.305 45.409 45.100 0.007 0.000 0.793 10 G HN 0.544 nan 8.290 nan 0.000 0.534 11 R N 1.340 121.825 120.500 -0.025 0.000 2.081 11 R HA 0.001 4.341 4.340 -0.000 0.000 0.235 11 R C 1.121 177.402 176.300 -0.032 0.000 1.131 11 R CA 1.144 57.225 56.100 -0.031 0.000 0.960 11 R CB -0.146 30.129 30.300 -0.042 0.000 0.856 11 R HN 0.486 nan 8.270 nan 0.000 0.436 12 R N -3.682 116.794 120.500 -0.041 0.000 2.664 12 R HA 0.526 4.866 4.340 -0.000 0.000 0.266 12 R C -0.014 176.256 176.300 -0.050 0.000 1.046 12 R CA -0.135 55.939 56.100 -0.044 0.000 0.885 12 R CB 0.705 30.971 30.300 -0.056 0.000 1.254 12 R HN -0.063 nan 8.270 nan 0.000 0.465 13 A N 1.673 124.468 122.820 -0.042 0.000 1.854 13 A HA 0.132 4.452 4.320 -0.000 0.000 0.214 13 A C 0.649 178.190 177.584 -0.072 0.000 1.192 13 A CA 1.217 53.231 52.037 -0.037 0.000 0.611 13 A CB -0.078 18.910 19.000 -0.021 0.000 0.832 13 A HN 0.285 nan 8.150 nan 0.000 0.442 14 V N 1.582 121.437 119.914 -0.098 0.000 2.439 14 V HA 0.303 4.422 4.120 -0.000 0.000 0.282 14 V C -2.264 173.649 176.094 -0.301 0.000 1.039 14 V CA -1.594 60.600 62.300 -0.177 0.000 0.913 14 V CB 1.136 32.898 31.823 -0.102 0.000 0.983 14 V HN 0.237 nan 8.190 nan 0.000 0.460 15 P HA 0.196 nan 4.420 nan 0.000 0.271 15 P C -2.585 174.433 177.300 -0.470 0.000 1.244 15 P CA -0.986 61.767 63.100 -0.578 0.000 0.793 15 P CB -0.099 31.072 31.700 -0.882 0.000 0.984 16 P HA 0.071 nan 4.420 nan 0.000 0.276 16 P C -0.622 176.691 177.300 0.023 0.000 1.235 16 P CA 0.027 63.072 63.100 -0.093 0.000 0.772 16 P CB 0.269 31.936 31.700 -0.055 0.000 0.871 17 N N 2.812 121.557 118.700 0.074 0.000 2.719 17 N HA 0.048 4.788 4.740 -0.000 0.000 0.243 17 N C 0.602 176.156 175.510 0.074 0.000 1.104 17 N CA -0.258 52.883 53.050 0.151 0.000 0.981 17 N CB -0.749 37.819 38.487 0.136 0.000 1.290 17 N HN 0.424 nan 8.380 nan 0.000 0.513 18 N N -0.352 118.388 118.700 0.067 0.000 2.177 18 N HA 0.103 4.843 4.740 -0.000 0.000 0.218 18 N C -0.757 174.762 175.510 0.015 0.000 1.182 18 N CA -0.531 52.537 53.050 0.030 0.000 0.882 18 N CB 0.488 38.986 38.487 0.017 0.000 1.052 18 N HN -0.025 nan 8.380 nan 0.000 0.519 19 S N 0.647 116.357 115.700 0.016 0.000 2.500 19 S HA 0.182 4.651 4.470 -0.000 0.000 0.301 19 S C 0.326 174.914 174.600 -0.020 0.000 1.092 19 S CA -0.796 57.406 58.200 0.002 0.000 1.030 19 S CB 2.017 65.222 63.200 0.008 0.000 1.031 19 S HN 0.305 nan 8.310 nan 0.000 0.483 20 N N 2.306 120.990 118.700 -0.025 0.000 2.416 20 N HA 0.007 4.747 4.740 -0.000 0.000 0.177 20 N C 1.444 176.922 175.510 -0.053 0.000 1.036 20 N CA 0.583 53.593 53.050 -0.067 0.000 0.901 20 N CB -0.057 38.394 38.487 -0.059 0.000 0.976 20 N HN 0.681 nan 8.380 nan 0.000 0.444 21 A N -0.182 122.631 122.820 -0.010 0.000 2.238 21 A HA 0.439 4.759 4.320 -0.000 0.000 0.208 21 A C 0.638 178.213 177.584 -0.015 0.000 1.177 21 A CA 0.138 52.175 52.037 -0.001 0.000 0.804 21 A CB -0.169 18.858 19.000 0.045 0.000 0.823 21 A HN 0.352 nan 8.150 nan 0.000 0.482 22 A N 0.014 122.817 122.820 -0.028 0.000 2.312 22 A HA 0.690 5.010 4.320 -0.000 0.000 0.328 22 A C -0.402 177.144 177.584 -0.063 0.000 1.158 22 A CA -0.521 51.491 52.037 -0.042 0.000 0.821 22 A CB 0.650 19.625 19.000 -0.042 0.000 1.170 22 A HN 0.406 nan 8.150 nan 0.000 0.490 23 E N 1.038 121.197 120.200 -0.069 0.000 2.321 23 E HA 0.350 4.700 4.350 -0.000 0.000 0.278 23 E C -1.601 174.948 176.600 -0.084 0.000 0.902 23 E CA -0.847 55.515 56.400 -0.063 0.000 0.758 23 E CB 2.173 31.856 29.700 -0.029 0.000 1.213 23 E HN 0.807 nan 8.360 nan 0.000 0.426 24 D N 1.255 121.595 120.400 -0.099 0.000 2.440 24 D HA 0.303 4.942 4.640 -0.000 0.000 0.258 24 D C -0.636 175.631 176.300 -0.055 0.000 1.092 24 D CA -0.521 53.410 54.000 -0.115 0.000 1.016 24 D CB 1.324 42.022 40.800 -0.171 0.000 1.141 24 D HN 0.153 nan 8.370 nan 0.000 0.552 25 D N 0.140 120.506 120.400 -0.057 0.000 2.256 25 D HA 0.320 4.960 4.640 -0.000 0.000 0.240 25 D C -0.368 175.880 176.300 -0.087 0.000 1.062 25 D CA -0.516 53.462 54.000 -0.036 0.000 0.832 25 D CB 1.440 42.227 40.800 -0.021 0.000 1.135 25 D HN 0.264 nan 8.370 nan 0.000 0.484 26 L N 5.121 126.257 121.223 -0.145 0.000 2.360 26 L HA 0.250 4.590 4.340 -0.000 0.000 0.276 26 L C -1.599 175.128 176.870 -0.238 0.000 1.121 26 L CA -1.416 53.257 54.840 -0.278 0.000 0.845 26 L CB 0.942 42.635 42.059 -0.610 0.000 1.143 26 L HN 0.209 nan 8.230 nan 0.000 0.452 27 P HA -0.018 nan 4.420 nan 0.000 0.264 27 P C 0.565 177.770 177.300 -0.159 0.000 1.193 27 P CA -0.131 62.882 63.100 -0.144 0.000 0.763 27 P CB 0.745 32.367 31.700 -0.131 0.000 0.810 28 T N -0.200 114.285 114.554 -0.114 0.000 2.995 28 T HA 0.048 4.398 4.350 -0.000 0.000 0.269 28 T C 0.788 175.421 174.700 -0.111 0.000 1.091 28 T CA 0.432 62.470 62.100 -0.103 0.000 1.128 28 T CB -0.080 68.748 68.868 -0.067 0.000 0.891 28 T HN 0.252 nan 8.240 nan 0.000 0.492 29 V N 1.930 121.782 119.914 -0.102 0.000 2.462 29 V HA 0.451 4.571 4.120 -0.000 0.000 0.288 29 V C -0.527 175.510 176.094 -0.095 0.000 1.020 29 V CA -1.127 61.115 62.300 -0.096 0.000 0.857 29 V CB 0.773 32.557 31.823 -0.065 0.000 1.013 29 V HN 0.601 nan 8.190 nan 0.000 0.431 44 F N 1.494 121.429 119.950 -0.026 0.000 2.863 44 F HA -0.261 4.266 4.527 -0.000 0.000 0.223 44 F C 1.334 177.115 175.800 -0.032 0.000 1.034 44 F CA 0.742 58.727 58.000 -0.026 0.000 0.805 44 F CB -0.425 38.556 39.000 -0.031 0.000 0.658 44 F HN 0.446 nan 8.300 nan 0.000 0.815 45 L N -0.093 121.114 121.223 -0.026 0.000 2.857 45 L HA 0.236 4.576 4.340 -0.000 0.000 0.249 45 L C 0.418 177.285 176.870 -0.006 0.000 1.172 45 L CA -0.040 54.748 54.840 -0.087 0.000 0.980 45 L CB -0.296 41.620 42.059 -0.238 0.000 1.299 45 L HN 0.025 nan 8.230 nan 0.000 0.535 46 N N 1.239 119.926 118.700 -0.022 0.000 2.052 46 N HA -0.125 4.615 4.740 -0.000 0.000 0.283 46 N C 0.091 175.684 175.510 0.139 0.000 1.272 46 N CA 0.507 53.559 53.050 0.003 0.000 0.810 46 N CB 0.295 38.726 38.487 -0.093 0.000 1.042 46 N HN 0.152 nan 8.380 nan 0.000 0.483 47 V N 0.344 120.335 119.914 0.127 0.000 2.583 47 V HA 0.292 4.412 4.120 -0.000 0.000 0.287 47 V C 1.323 177.393 176.094 -0.041 0.000 1.051 47 V CA 0.038 62.361 62.300 0.038 0.000 1.010 47 V CB 1.051 32.821 31.823 -0.088 0.000 0.988 47 V HN 0.853 nan 8.190 nan 0.000 0.478 48 T N 1.591 116.096 114.554 -0.082 0.000 2.976 48 T HA 0.249 4.598 4.350 -0.000 0.000 0.257 48 T C 0.812 175.437 174.700 -0.125 0.000 1.051 48 T CA 0.678 62.735 62.100 -0.072 0.000 1.141 48 T CB -0.305 68.537 68.868 -0.045 0.000 0.881 48 T HN 1.620 nan 8.240 nan 0.000 0.461 49 S N -0.717 114.852 115.700 -0.218 0.000 2.615 49 S HA 0.602 5.072 4.470 -0.000 0.000 0.268 49 S C -1.762 172.576 174.600 -0.437 0.000 1.146 49 S CA -1.011 57.018 58.200 -0.285 0.000 0.818 49 S CB 1.611 64.645 63.200 -0.276 0.000 1.111 49 S HN 0.251 nan 8.310 nan 0.000 0.465 50 V N 2.135 121.780 119.914 -0.448 0.000 2.735 50 V HA 0.616 4.736 4.120 -0.000 0.000 0.310 50 V C -1.243 174.531 176.094 -0.533 0.000 1.061 50 V CA -0.606 61.427 62.300 -0.446 0.000 0.913 50 V CB 1.798 33.471 31.823 -0.250 0.000 1.005 50 V HN 0.978 nan 8.190 nan 0.000 0.428 51 H N 4.633 123.559 119.070 -0.241 0.000 2.708 51 H HA 0.570 5.125 4.556 -0.000 0.000 0.320 51 H C -0.871 174.153 175.328 -0.507 0.000 0.991 51 H CA -0.440 55.363 56.048 -0.408 0.000 1.243 51 H CB 1.708 31.143 29.762 -0.546 0.000 1.446 51 H HN 0.429 nan 8.280 nan 0.000 0.502 52 L N 3.457 124.510 121.223 -0.282 0.000 2.307 52 L HA 0.309 4.649 4.340 -0.000 0.000 0.284 52 L C -0.187 176.517 176.870 -0.276 0.000 1.023 52 L CA -0.784 53.956 54.840 -0.166 0.000 0.810 52 L CB 1.075 43.114 42.059 -0.033 0.000 1.231 52 L HN 0.419 nan 8.230 nan 0.000 0.423 53 F N 2.440 122.442 119.950 0.087 0.000 2.573 53 F HA 0.160 4.687 4.527 -0.000 0.000 0.349 53 F C 0.721 176.497 175.800 -0.040 0.000 1.213 53 F CA -0.730 57.285 58.000 0.026 0.000 1.300 53 F CB -0.031 39.010 39.000 0.067 0.000 1.661 53 F HN 0.379 nan 8.300 nan 0.000 0.616 54 K N -0.775 119.618 120.400 -0.011 0.000 2.814 54 K HA 0.250 4.570 4.320 -0.000 0.000 0.213 54 K C -0.225 176.245 176.600 -0.217 0.000 1.113 54 K CA -0.184 56.048 56.287 -0.092 0.000 1.145 54 K CB 0.151 32.605 32.500 -0.078 0.000 0.948 54 K HN -0.002 nan 8.250 nan 0.000 0.464 55 E N 1.367 121.341 120.200 -0.376 0.000 2.313 55 E HA 0.199 4.549 4.350 -0.000 0.000 0.272 55 E C 0.509 176.730 176.600 -0.631 0.000 1.038 55 E CA -0.339 55.602 56.400 -0.766 0.000 0.863 55 E CB 0.927 29.662 29.700 -1.608 0.000 1.060 55 E HN 0.202 nan 8.360 nan 0.000 0.402 56 R N 1.437 121.647 120.500 -0.484 0.000 2.241 56 R HA -0.157 4.183 4.340 -0.000 0.000 0.224 56 R C 1.666 177.918 176.300 -0.081 0.000 1.101 56 R CA 1.323 57.310 56.100 -0.189 0.000 0.995 56 R CB -0.106 30.166 30.300 -0.046 0.000 0.870 56 R HN 0.593 nan 8.270 nan 0.000 0.463 57 W N 0.382 121.695 121.300 0.020 0.000 2.872 57 W HA 0.282 4.941 4.660 -0.000 0.000 0.266 57 W C 0.228 176.757 176.519 0.017 0.000 1.276 57 W CA -0.865 56.487 57.345 0.012 0.000 1.471 57 W CB -0.253 29.215 29.460 0.012 0.000 1.071 57 W HN -0.301 nan 8.180 nan 0.000 0.619 58 D N 1.172 121.405 120.400 -0.279 0.000 2.364 58 D HA -0.093 4.547 4.640 -0.000 0.000 0.236 58 D C 1.241 177.549 176.300 0.013 0.000 1.221 58 D CA 0.987 54.941 54.000 -0.075 0.000 0.891 58 D CB 1.486 42.196 40.800 -0.151 0.000 1.190 58 D HN -0.097 nan 8.370 nan 0.000 0.449 59 T N 0.897 115.483 114.554 0.053 0.000 2.962 59 T HA -0.102 4.247 4.350 -0.000 0.000 0.270 59 T C 1.413 176.164 174.700 0.084 0.000 1.088 59 T CA 0.881 63.016 62.100 0.059 0.000 1.127 59 T CB 0.065 68.972 68.868 0.065 0.000 0.883 59 T HN 0.245 nan 8.240 nan 0.000 0.493 60 N N 1.241 120.011 118.700 0.116 0.000 2.083 60 N HA 0.030 4.770 4.740 -0.000 0.000 0.190 60 N C 1.951 177.497 175.510 0.061 0.000 1.047 60 N CA 1.077 54.211 53.050 0.141 0.000 0.845 60 N CB -0.235 38.338 38.487 0.145 0.000 1.025 60 N HN 0.395 nan 8.380 nan 0.000 0.428 61 K N 0.591 120.980 120.400 -0.019 0.000 2.074 61 K HA -0.074 4.246 4.320 -0.000 0.000 0.209 61 K C 1.988 178.551 176.600 -0.063 0.000 1.048 61 K CA 0.939 57.197 56.287 -0.048 0.000 0.926 61 K CB -0.227 32.229 32.500 -0.074 0.000 0.713 61 K HN -0.011 nan 8.250 nan 0.000 0.444 62 V N 1.912 121.785 119.914 -0.068 0.000 2.307 62 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 62 V C 1.518 177.447 176.094 -0.276 0.000 1.045 62 V CA 1.845 64.070 62.300 -0.124 0.000 1.024 62 V CB -0.369 31.419 31.823 -0.059 0.000 0.651 62 V HN 0.264 nan 8.190 nan 0.000 0.449 63 D N -1.273 118.999 120.400 -0.214 0.000 2.310 63 D HA -0.105 4.535 4.640 -0.000 0.000 0.212 63 D C 1.887 177.788 176.300 -0.664 0.000 0.965 63 D CA 1.015 54.796 54.000 -0.365 0.000 0.879 63 D CB -0.189 40.505 40.800 -0.176 0.000 0.921 63 D HN 0.535 nan 8.370 nan 0.000 0.510 64 H N -0.291 118.504 119.070 -0.457 0.000 2.575 64 H HA 0.050 4.606 4.556 -0.000 0.000 0.267 64 H C 0.003 175.113 175.328 -0.363 0.000 0.966 64 H CA 0.326 56.158 56.048 -0.361 0.000 1.165 64 H CB 0.407 30.053 29.762 -0.193 0.000 1.433 64 H HN 0.326 nan 8.280 nan 0.000 0.544 65 H N 0.168 119.064 119.070 -0.289 0.000 2.819 65 H HA -0.113 4.443 4.556 -0.000 0.000 0.315 65 H C 0.390 175.649 175.328 -0.115 0.000 1.242 65 H CA 1.052 56.898 56.048 -0.335 0.000 1.157 65 H CB -2.432 26.843 29.762 -0.811 0.000 1.451 65 H HN 0.449 nan 8.280 nan 0.000 0.430 66 T N -3.173 111.414 114.554 0.055 0.000 3.231 66 T HA 0.035 4.385 4.350 -0.000 0.000 0.292 66 T C 1.241 176.015 174.700 0.122 0.000 1.001 66 T CA 0.134 62.359 62.100 0.207 0.000 0.920 66 T CB 0.519 69.442 68.868 0.092 0.000 1.140 66 T HN 0.339 nan 8.240 nan 0.000 0.525 67 D N 2.769 123.162 120.400 -0.012 0.000 2.178 67 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 67 D C 0.578 176.832 176.300 -0.078 0.000 0.980 67 D CA 0.808 54.781 54.000 -0.045 0.000 0.842 67 D CB -0.161 40.607 40.800 -0.053 0.000 0.948 67 D HN 0.611 nan 8.370 nan 0.000 0.472 68 K N -0.277 119.978 120.400 -0.242 0.000 2.264 68 K HA 0.465 4.785 4.320 -0.000 0.000 0.277 68 K C -1.320 175.004 176.600 -0.460 0.000 1.067 68 K CA -0.737 55.302 56.287 -0.414 0.000 0.900 68 K CB 0.766 32.798 32.500 -0.780 0.000 1.124 68 K HN -0.079 nan 8.250 nan 0.000 0.469 69 Y N 0.982 121.217 120.300 -0.109 0.000 2.101 69 Y HA -0.029 4.521 4.550 -0.000 0.000 0.312 69 Y C -1.003 174.903 175.900 0.011 0.000 1.256 69 Y CA -0.756 57.366 58.100 0.036 0.000 1.540 69 Y CB 1.029 39.485 38.460 -0.006 0.000 1.304 69 Y HN 0.611 nan 8.280 nan 0.000 0.375 70 E N 3.589 123.906 120.200 0.195 0.000 1.954 70 E HA 0.027 4.377 4.350 -0.000 0.000 0.272 70 E C -0.317 176.322 176.600 0.065 0.000 1.170 70 E CA 0.322 56.779 56.400 0.095 0.000 1.101 70 E CB -0.136 29.594 29.700 0.051 0.000 1.076 70 E HN 0.444 nan 8.360 nan 0.000 0.449 71 N N 2.040 120.766 118.700 0.042 0.000 2.369 71 N HA 0.095 4.835 4.740 -0.000 0.000 0.287 71 N C 0.106 175.603 175.510 -0.021 0.000 1.067 71 N CA -0.399 52.642 53.050 -0.015 0.000 0.888 71 N CB 1.024 39.441 38.487 -0.118 0.000 1.616 71 N HN -0.096 nan 8.380 nan 0.000 0.482 72 N N 1.820 120.515 118.700 -0.008 0.000 2.109 72 N HA -0.058 4.682 4.740 -0.000 0.000 0.188 72 N C -0.067 175.435 175.510 -0.013 0.000 1.034 72 N CA 1.213 54.254 53.050 -0.014 0.000 0.846 72 N CB -0.195 38.290 38.487 -0.003 0.000 1.010 72 N HN 0.493 nan 8.380 nan 0.000 0.425 73 K N 0.580 121.004 120.400 0.040 0.000 2.285 73 K HA 0.078 4.398 4.320 -0.000 0.000 0.255 73 K C -0.142 176.476 176.600 0.029 0.000 1.000 73 K CA -0.365 55.963 56.287 0.068 0.000 0.887 73 K CB -0.030 32.590 32.500 0.201 0.000 0.997 73 K HN 0.101 nan 8.250 nan 0.000 0.510 74 L N 2.001 123.230 121.223 0.009 0.000 2.367 74 L HA 0.333 4.673 4.340 -0.000 0.000 0.275 74 L C -0.850 175.983 176.870 -0.060 0.000 1.129 74 L CA 0.550 55.352 54.840 -0.063 0.000 0.839 74 L CB 0.055 42.061 42.059 -0.088 0.000 1.133 74 L HN 0.443 nan 8.230 nan 0.000 0.453 75 I N 6.127 126.601 120.570 -0.160 0.000 2.418 75 I HA 0.460 4.630 4.170 -0.000 0.000 0.287 75 I C -0.484 175.439 176.117 -0.323 0.000 1.008 75 I CA -0.494 60.679 61.300 -0.211 0.000 1.104 75 I CB 1.794 39.581 38.000 -0.354 0.000 1.264 75 I HN 0.462 nan 8.210 nan 0.000 0.438 76 V N 6.935 126.599 119.914 -0.416 0.000 3.145 76 V HA 0.641 4.761 4.120 -0.000 0.000 0.311 76 V C -0.964 174.955 176.094 -0.291 0.000 1.238 76 V CA -0.646 61.279 62.300 -0.626 0.000 1.066 76 V CB 2.833 33.941 31.823 -1.192 0.000 1.144 76 V HN 0.696 nan 8.190 nan 0.000 0.465 77 R N 1.243 121.690 120.500 -0.088 0.000 2.574 77 R HA 0.542 4.882 4.340 -0.000 0.000 0.288 77 R C -0.824 175.482 176.300 0.011 0.000 1.004 77 R CA -0.869 55.266 56.100 0.060 0.000 0.895 77 R CB 2.058 32.495 30.300 0.228 0.000 1.191 77 R HN 0.655 nan 8.270 nan 0.000 0.444 78 R N 0.215 120.674 120.500 -0.068 0.000 2.598 78 R HA -0.095 4.245 4.340 -0.000 0.000 0.266 78 R C 1.123 177.378 176.300 -0.076 0.000 0.977 78 R CA 1.869 57.897 56.100 -0.120 0.000 1.097 78 R CB -0.008 30.244 30.300 -0.080 0.000 0.911 78 R HN 1.006 nan 8.270 nan 0.000 0.419 79 G N 0.555 109.255 108.800 -0.166 0.000 2.180 79 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.263 79 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.263 79 G C -0.036 174.811 174.900 -0.088 0.000 0.989 79 G CA 0.685 45.706 45.100 -0.132 0.000 0.692 79 G HN 0.567 nan 8.290 nan 0.000 0.526 80 Q N 0.157 119.935 119.800 -0.036 0.000 2.347 80 Q HA 0.555 4.894 4.340 -0.000 0.000 0.271 80 Q C 0.318 176.405 176.000 0.145 0.000 1.064 80 Q CA -0.106 55.699 55.803 0.003 0.000 0.800 80 Q CB 1.654 30.341 28.738 -0.085 0.000 1.304 80 Q HN 0.550 nan 8.270 nan 0.000 0.438 81 S N 2.307 118.029 115.700 0.035 0.000 2.576 81 S HA 0.621 5.091 4.470 -0.000 0.000 0.276 81 S C -0.353 174.340 174.600 0.155 0.000 1.339 81 S CA -0.443 57.754 58.200 -0.005 0.000 1.039 81 S CB 0.263 63.349 63.200 -0.190 0.000 0.902 81 S HN 0.435 nan 8.310 nan 0.000 0.516 82 F N -1.570 118.279 119.950 -0.169 0.000 2.613 82 F HA 0.714 5.241 4.527 -0.000 0.000 0.310 82 F C -1.563 174.095 175.800 -0.237 0.000 1.085 82 F CA -2.017 55.873 58.000 -0.184 0.000 0.945 82 F CB 0.431 39.296 39.000 -0.225 0.000 1.298 82 F HN 0.452 nan 8.300 nan 0.000 0.455 83 Y N 1.455 121.836 120.300 0.136 0.000 2.304 83 Y HA 0.674 5.224 4.550 -0.000 0.000 0.328 83 Y C -0.023 176.058 175.900 0.302 0.000 1.123 83 Y CA -0.915 57.264 58.100 0.132 0.000 1.218 83 Y CB 1.565 40.090 38.460 0.109 0.000 1.207 83 Y HN 0.596 nan 8.280 nan 0.000 0.495 84 V N 2.943 123.100 119.914 0.405 0.000 3.114 84 V HA 0.475 4.595 4.120 -0.000 0.000 0.308 84 V C -1.126 175.129 176.094 0.268 0.000 1.168 84 V CA -1.091 61.372 62.300 0.271 0.000 1.015 84 V CB 2.385 34.269 31.823 0.101 0.000 1.050 84 V HN 0.689 nan 8.190 nan 0.000 0.433 85 Q N 2.124 122.004 119.800 0.133 0.000 2.269 85 Q HA 0.651 4.991 4.340 -0.000 0.000 0.263 85 Q C -2.080 173.883 176.000 -0.062 0.000 0.983 85 Q CA -0.511 55.369 55.803 0.127 0.000 0.777 85 Q CB 1.913 30.825 28.738 0.291 0.000 1.273 85 Q HN 0.674 nan 8.270 nan 0.000 0.440 86 I N 2.471 122.946 120.570 -0.159 0.000 2.498 86 I HA 0.408 4.578 4.170 -0.000 0.000 0.301 86 I C -0.530 175.251 176.117 -0.560 0.000 0.984 86 I CA -0.357 60.689 61.300 -0.423 0.000 1.204 86 I CB 1.568 39.230 38.000 -0.564 0.000 1.362 86 I HN 0.468 nan 8.210 nan 0.000 0.471 87 D N 4.327 124.371 120.400 -0.592 0.000 2.362 87 D HA 0.535 5.175 4.640 -0.000 0.000 0.247 87 D C -0.695 175.307 176.300 -0.497 0.000 1.050 87 D CA -0.132 53.623 54.000 -0.408 0.000 0.839 87 D CB 1.525 42.219 40.800 -0.177 0.000 1.283 87 D HN 0.074 nan 8.370 nan 0.000 0.477 88 F N -0.263 119.660 119.950 -0.046 0.000 2.585 88 F HA 0.306 4.833 4.527 -0.000 0.000 0.350 88 F C 1.888 177.677 175.800 -0.018 0.000 1.074 88 F CA -0.811 57.158 58.000 -0.052 0.000 1.032 88 F CB 0.775 39.733 39.000 -0.071 0.000 1.330 88 F HN 0.142 nan 8.300 nan 0.000 0.495 89 S N -0.555 115.277 115.700 0.219 0.000 2.470 89 S HA 0.050 4.520 4.470 -0.000 0.000 0.225 89 S C -0.071 174.599 174.600 0.117 0.000 1.006 89 S CA 0.291 58.569 58.200 0.131 0.000 0.934 89 S CB -0.241 63.030 63.200 0.119 0.000 0.778 89 S HN 0.527 nan 8.310 nan 0.000 0.517 90 R N 0.754 121.328 120.500 0.123 0.000 2.542 90 R HA 0.368 4.708 4.340 -0.000 0.000 0.284 90 R C -3.436 172.900 176.300 0.060 0.000 1.167 90 R CA -1.642 54.505 56.100 0.078 0.000 1.000 90 R CB -0.343 29.991 30.300 0.056 0.000 1.229 90 R HN -0.197 nan 8.270 nan 0.000 0.416 91 P HA -0.280 nan 4.420 nan 0.000 0.265 91 P C -0.966 176.336 177.300 0.003 0.000 1.132 91 P CA 0.459 63.604 63.100 0.075 0.000 0.752 91 P CB 0.287 32.013 31.700 0.043 0.000 0.728 92 Y N 3.063 123.302 120.300 -0.102 0.000 2.637 92 Y HA 0.113 4.663 4.550 -0.000 0.000 0.350 92 Y C 0.281 176.107 175.900 -0.123 0.000 1.069 92 Y CA -0.618 57.330 58.100 -0.252 0.000 1.397 92 Y CB -0.338 37.973 38.460 -0.248 0.000 1.163 92 Y HN 0.247 nan 8.280 nan 0.000 0.527 93 D N 9.571 129.603 120.400 -0.614 0.000 2.380 93 D HA 0.234 4.874 4.640 -0.000 0.000 0.230 93 D C -1.766 174.034 176.300 -0.832 0.000 1.154 93 D CA -2.441 51.233 54.000 -0.543 0.000 0.859 93 D CB 1.400 42.038 40.800 -0.270 0.000 1.045 93 D HN 0.341 nan 8.370 nan 0.000 0.495 94 P HA -0.179 nan 4.420 nan 0.000 0.218 94 P C 0.984 178.149 177.300 -0.225 0.000 1.148 94 P CA 0.907 63.679 63.100 -0.547 0.000 0.822 94 P CB 0.321 31.895 31.700 -0.210 0.000 0.784 95 R N -0.449 119.940 120.500 -0.185 0.000 2.159 95 R HA -0.045 4.295 4.340 -0.000 0.000 0.237 95 R C 2.070 178.328 176.300 -0.070 0.000 1.131 95 R CA 1.154 57.196 56.100 -0.096 0.000 0.982 95 R CB -0.334 29.918 30.300 -0.080 0.000 0.868 95 R HN 0.115 nan 8.270 nan 0.000 0.453 96 R N -0.223 120.223 120.500 -0.090 0.000 2.504 96 R HA 0.118 4.457 4.340 -0.000 0.000 0.396 96 R C -1.289 175.007 176.300 -0.007 0.000 0.896 96 R CA -0.070 56.009 56.100 -0.036 0.000 1.152 96 R CB 0.759 31.044 30.300 -0.026 0.000 1.681 96 R HN -0.018 nan 8.270 nan 0.000 0.537 97 D N 0.406 120.791 120.400 -0.025 0.000 2.181 97 D HA 0.317 4.957 4.640 -0.000 0.000 0.248 97 D C -1.200 175.270 176.300 0.283 0.000 1.020 97 D CA -0.287 53.766 54.000 0.087 0.000 0.891 97 D CB 2.131 42.942 40.800 0.019 0.000 1.187 97 D HN -0.037 nan 8.370 nan 0.000 0.443 98 L N 3.521 124.944 121.223 0.333 0.000 2.464 98 L HA 0.612 4.952 4.340 -0.000 0.000 0.266 98 L C -1.782 175.440 176.870 0.585 0.000 0.965 98 L CA -0.682 54.410 54.840 0.421 0.000 0.833 98 L CB 1.378 43.576 42.059 0.232 0.000 1.296 98 L HN 0.317 nan 8.230 nan 0.000 0.405 99 F N 3.115 123.200 119.950 0.225 0.000 2.713 99 F HA 0.886 5.413 4.527 -0.000 0.000 0.311 99 F C -1.532 174.376 175.800 0.180 0.000 1.141 99 F CA -1.109 57.019 58.000 0.213 0.000 0.939 99 F CB 1.422 40.485 39.000 0.105 0.000 1.325 99 F HN 0.687 nan 8.300 nan 0.000 0.453 100 R N 1.423 121.891 120.500 -0.053 0.000 2.643 100 R HA 0.749 5.089 4.340 -0.000 0.000 0.269 100 R C -2.314 173.888 176.300 -0.162 0.000 1.037 100 R CA -0.925 55.037 56.100 -0.230 0.000 0.894 100 R CB 1.706 31.999 30.300 -0.013 0.000 1.238 100 R HN 0.648 nan 8.270 nan 0.000 0.459 101 V N 1.857 121.626 119.914 -0.242 0.000 2.607 101 V HA 0.320 4.440 4.120 -0.000 0.000 0.289 101 V C 0.157 176.051 176.094 -0.333 0.000 1.053 101 V CA -0.309 61.836 62.300 -0.257 0.000 0.996 101 V CB 1.273 32.916 31.823 -0.300 0.000 0.995 101 V HN 0.762 nan 8.190 nan 0.000 0.476 102 E N 2.490 122.461 120.200 -0.380 0.000 2.288 102 E HA 0.578 4.928 4.350 -0.000 0.000 0.268 102 E C -1.917 174.391 176.600 -0.486 0.000 0.885 102 E CA -0.698 55.463 56.400 -0.399 0.000 0.767 102 E CB 2.468 32.037 29.700 -0.218 0.000 1.220 102 E HN 0.592 nan 8.360 nan 0.000 0.427 103 Y N 0.397 120.520 120.300 -0.294 0.000 2.350 103 Y HA 0.426 4.976 4.550 -0.000 0.000 0.338 103 Y C -0.443 175.464 175.900 0.013 0.000 0.961 103 Y CA -0.786 57.227 58.100 -0.146 0.000 1.100 103 Y CB 1.718 39.959 38.460 -0.365 0.000 1.179 103 Y HN 0.224 nan 8.280 nan 0.000 0.454 104 V N 4.392 124.525 119.914 0.366 0.000 2.914 104 V HA 0.675 4.795 4.120 -0.000 0.000 0.314 104 V C -0.552 175.655 176.094 0.187 0.000 1.084 104 V CA -1.164 61.315 62.300 0.297 0.000 0.963 104 V CB 2.390 34.391 31.823 0.297 0.000 1.025 104 V HN 0.574 nan 8.190 nan 0.000 0.432 105 I N 0.626 121.209 120.570 0.022 0.000 2.569 105 I HA 0.893 5.063 4.170 -0.000 0.000 0.290 105 I C 0.388 176.452 176.117 -0.089 0.000 1.088 105 I CA -0.548 60.632 61.300 -0.200 0.000 1.047 105 I CB 1.679 39.382 38.000 -0.495 0.000 1.237 105 I HN 1.081 nan 8.210 nan 0.000 0.421 106 G N 4.127 112.870 108.800 -0.094 0.000 2.860 106 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.553 106 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.553 106 G C 0.214 175.070 174.900 -0.073 0.000 1.439 106 G CA 0.327 45.390 45.100 -0.061 0.000 0.879 106 G HN 1.140 nan 8.290 nan 0.000 0.545 107 R N -0.868 119.548 120.500 -0.141 0.000 2.299 107 R HA 0.203 4.543 4.340 -0.000 0.000 0.197 107 R C 0.184 176.141 176.300 -0.571 0.000 0.971 107 R CA 1.130 57.017 56.100 -0.355 0.000 1.030 107 R CB -0.014 30.007 30.300 -0.465 0.000 0.932 107 R HN 0.600 nan 8.270 nan 0.000 0.477 108 Y N 1.355 121.651 120.300 -0.006 0.000 2.477 108 Y HA 0.408 4.958 4.550 -0.000 0.000 0.340 108 Y C -2.335 173.565 175.900 0.000 0.000 0.987 108 Y CA -3.134 54.960 58.100 -0.010 0.000 1.127 108 Y CB 0.862 39.316 38.460 -0.011 0.000 1.139 108 Y HN 0.077 nan 8.280 nan 0.000 0.637 109 P HA 0.070 nan 4.420 nan 0.000 0.270 109 P C -0.604 176.752 177.300 0.094 0.000 1.227 109 P CA 0.237 63.409 63.100 0.119 0.000 0.788 109 P CB 1.315 33.113 31.700 0.163 0.000 0.926 110 Q N -0.366 119.521 119.800 0.145 0.000 2.430 110 Q HA 0.053 4.393 4.340 -0.000 0.000 0.253 110 Q C 0.554 176.664 176.000 0.184 0.000 0.945 110 Q CA -0.394 55.469 55.803 0.100 0.000 0.964 110 Q CB 1.936 30.716 28.738 0.071 0.000 1.460 110 Q HN 0.498 nan 8.270 nan 0.000 0.428 111 E N 2.311 122.636 120.200 0.209 0.000 2.023 111 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 111 E C 1.159 177.847 176.600 0.147 0.000 1.003 111 E CA 2.301 58.856 56.400 0.259 0.000 0.809 111 E CB 0.104 29.971 29.700 0.278 0.000 0.755 111 E HN 0.751 nan 8.360 nan 0.000 0.449 112 N N -0.581 118.183 118.700 0.106 0.000 2.430 112 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 112 N C 0.895 176.453 175.510 0.081 0.000 1.032 112 N CA 0.583 53.682 53.050 0.082 0.000 0.893 112 N CB 0.094 38.617 38.487 0.060 0.000 0.957 112 N HN -0.042 nan 8.380 nan 0.000 0.442 113 K N -0.032 120.423 120.400 0.091 0.000 2.397 113 K HA 0.158 4.478 4.320 -0.000 0.000 0.202 113 K C 0.982 177.646 176.600 0.107 0.000 1.022 113 K CA 0.290 56.629 56.287 0.086 0.000 1.141 113 K CB 0.264 32.809 32.500 0.074 0.000 0.857 113 K HN 0.353 nan 8.250 nan 0.000 0.514 114 G N 1.545 110.419 108.800 0.123 0.000 2.187 114 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.261 114 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.261 114 G C 0.754 175.758 174.900 0.174 0.000 1.000 114 G CA 1.375 46.562 45.100 0.145 0.000 0.718 114 G HN 0.374 nan 8.290 nan 0.000 0.519 115 T N -1.653 112.998 114.554 0.163 0.000 3.092 115 T HA 0.465 4.815 4.350 -0.000 0.000 0.258 115 T C -0.158 174.676 174.700 0.223 0.000 1.031 115 T CA 0.424 62.619 62.100 0.157 0.000 0.925 115 T CB -0.039 68.889 68.868 0.099 0.000 1.036 115 T HN 0.813 nan 8.240 nan 0.000 0.544 116 Y N 1.067 121.414 120.300 0.079 0.000 2.307 116 Y HA 0.554 5.104 4.550 -0.000 0.000 0.323 116 Y C -1.966 173.924 175.900 -0.017 0.000 1.100 116 Y CA -1.854 56.273 58.100 0.045 0.000 1.140 116 Y CB 0.702 39.176 38.460 0.023 0.000 1.159 116 Y HN 0.033 nan 8.280 nan 0.000 0.436 117 I N 9.354 129.577 120.570 -0.577 0.000 2.405 117 I HA 0.389 4.559 4.170 -0.000 0.000 0.280 117 I C -2.530 173.135 176.117 -0.753 0.000 1.027 117 I CA -2.115 58.780 61.300 -0.674 0.000 1.161 117 I CB 1.510 38.955 38.000 -0.924 0.000 1.300 117 I HN 0.363 nan 8.210 nan 0.000 0.463 118 P HA 0.161 nan 4.420 nan 0.000 0.284 118 P C -0.399 176.744 177.300 -0.262 0.000 1.343 118 P CA -0.278 62.595 63.100 -0.379 0.000 0.826 118 P CB 0.995 32.609 31.700 -0.142 0.000 0.956 119 V N 6.802 126.558 119.914 -0.263 0.000 2.397 119 V HA 0.138 4.258 4.120 -0.000 0.000 0.262 119 V C -1.520 174.520 176.094 -0.091 0.000 1.047 119 V CA -1.600 60.620 62.300 -0.133 0.000 1.003 119 V CB 0.200 31.991 31.823 -0.053 0.000 1.037 119 V HN 0.502 nan 8.190 nan 0.000 0.480 120 P HA 0.208 nan 4.420 nan 0.000 0.276 120 P C 0.067 177.323 177.300 -0.073 0.000 1.235 120 P CA -0.255 62.813 63.100 -0.054 0.000 0.772 120 P CB 0.853 32.542 31.700 -0.018 0.000 0.871 121 I N 2.631 123.121 120.570 -0.133 0.000 2.455 121 I HA 0.098 4.268 4.170 -0.000 0.000 0.303 121 I C 0.926 177.021 176.117 -0.037 0.000 1.180 121 I CA -0.738 60.482 61.300 -0.133 0.000 1.469 121 I CB -0.586 37.277 38.000 -0.228 0.000 1.480 121 I HN 0.018 nan 8.210 nan 0.000 0.669 122 V N 2.842 122.747 119.914 -0.015 0.000 3.441 122 V HA 0.412 4.532 4.120 -0.000 0.000 0.300 122 V C 1.197 177.306 176.094 0.025 0.000 1.062 122 V CA 0.207 62.512 62.300 0.009 0.000 1.064 122 V CB 1.290 33.120 31.823 0.012 0.000 1.197 122 V HN 0.759 nan 8.190 nan 0.000 0.451 123 S N -1.595 114.122 115.700 0.028 0.000 2.559 123 S HA 0.404 4.874 4.470 -0.000 0.000 0.226 123 S C 0.190 174.807 174.600 0.028 0.000 1.000 123 S CA 0.100 58.322 58.200 0.037 0.000 0.948 123 S CB -0.128 63.094 63.200 0.036 0.000 0.870 123 S HN 0.912 nan 8.310 nan 0.000 0.497 124 E N 0.805 121.017 120.200 0.020 0.000 2.347 124 E HA 0.396 4.746 4.350 -0.000 0.000 0.285 124 E C -1.582 175.022 176.600 0.006 0.000 0.925 124 E CA -0.390 56.018 56.400 0.014 0.000 0.779 124 E CB 1.193 30.901 29.700 0.012 0.000 1.233 124 E HN 0.258 nan 8.360 nan 0.000 0.414 125 L N 4.193 125.415 121.223 -0.002 0.000 2.515 125 L HA 0.171 4.511 4.340 -0.000 0.000 0.281 125 L C 0.490 177.351 176.870 -0.014 0.000 1.131 125 L CA 0.012 54.843 54.840 -0.014 0.000 0.905 125 L CB 0.315 42.355 42.059 -0.032 0.000 1.246 125 L HN 0.367 nan 8.230 nan 0.000 0.463 126 Q N 2.341 122.137 119.800 -0.007 0.000 2.281 126 Q HA 0.031 4.371 4.340 -0.000 0.000 0.267 126 Q C 0.223 176.213 176.000 -0.017 0.000 1.053 126 Q CA -0.009 55.791 55.803 -0.004 0.000 0.905 126 Q CB 1.342 30.086 28.738 0.010 0.000 1.195 126 Q HN 0.525 nan 8.270 nan 0.000 0.398 127 S N 1.736 117.423 115.700 -0.021 0.000 2.506 127 S HA 0.272 4.741 4.470 -0.000 0.000 0.291 127 S C 1.021 175.604 174.600 -0.027 0.000 1.230 127 S CA 1.007 59.187 58.200 -0.033 0.000 1.107 127 S CB -0.335 62.847 63.200 -0.030 0.000 0.942 127 S HN 0.892 nan 8.310 nan 0.000 0.502 128 G N 4.179 112.954 108.800 -0.042 0.000 2.316 128 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.203 128 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.203 128 G C -0.195 174.694 174.900 -0.020 0.000 0.999 128 G CA 0.112 45.194 45.100 -0.030 0.000 0.649 128 G HN 0.878 nan 8.290 nan 0.000 0.489 129 K N -0.906 119.489 120.400 -0.009 0.000 2.395 129 K HA 0.665 4.985 4.320 -0.000 0.000 0.245 129 K C -0.728 175.906 176.600 0.058 0.000 1.017 129 K CA -1.423 54.894 56.287 0.050 0.000 0.852 129 K CB 1.399 33.954 32.500 0.092 0.000 1.311 129 K HN 0.020 nan 8.250 nan 0.000 0.452 130 W N 0.262 121.557 121.300 -0.008 0.000 2.190 130 W HA 0.435 5.094 4.660 -0.000 0.000 0.330 130 W C 0.475 176.980 176.519 -0.023 0.000 1.299 130 W CA 1.147 58.484 57.345 -0.014 0.000 1.215 130 W CB 1.447 30.901 29.460 -0.009 0.000 1.147 130 W HN 0.823 nan 8.180 nan 0.000 0.563 131 G N 0.801 109.752 108.800 0.251 0.000 2.476 131 G HA2 0.526 4.486 3.960 -0.000 0.000 0.309 131 G HA3 0.526 4.486 3.960 -0.000 0.000 0.309 131 G C -2.008 172.927 174.900 0.058 0.000 1.575 131 G CA -0.688 44.482 45.100 0.117 0.000 0.913 131 G HN 0.681 nan 8.290 nan 0.000 0.623 132 A N 2.057 124.888 122.820 0.018 0.000 2.292 132 A HA 0.844 5.164 4.320 -0.000 0.000 0.319 132 A C 0.074 177.643 177.584 -0.025 0.000 1.206 132 A CA -0.655 51.364 52.037 -0.030 0.000 0.835 132 A CB 1.409 20.370 19.000 -0.064 0.000 1.164 132 A HN 0.700 nan 8.150 nan 0.000 0.505 133 K N 2.576 122.968 120.400 -0.012 0.000 2.182 133 K HA 0.534 4.854 4.320 -0.000 0.000 0.262 133 K C -1.162 175.471 176.600 0.056 0.000 0.957 133 K CA -0.696 55.604 56.287 0.022 0.000 0.842 133 K CB 0.761 33.275 32.500 0.024 0.000 1.099 133 K HN 0.566 nan 8.250 nan 0.000 0.438 134 I N 4.245 124.865 120.570 0.083 0.000 2.533 134 I HA -0.052 4.118 4.170 -0.000 0.000 0.284 134 I C 1.024 177.209 176.117 0.114 0.000 1.109 134 I CA 0.206 61.579 61.300 0.121 0.000 1.412 134 I CB 1.184 39.285 38.000 0.168 0.000 1.396 134 I HN 0.490 nan 8.210 nan 0.000 0.543 135 V N 5.918 125.904 119.914 0.121 0.000 2.502 135 V HA 0.184 4.304 4.120 -0.000 0.000 0.234 135 V C 0.433 176.573 176.094 0.077 0.000 1.072 135 V CA 0.773 63.135 62.300 0.103 0.000 1.094 135 V CB 0.057 31.958 31.823 0.130 0.000 0.761 135 V HN 0.825 nan 8.190 nan 0.000 0.489 136 M N -1.876 117.769 119.600 0.075 0.000 2.535 136 M HA 0.587 5.067 4.480 -0.000 0.000 0.314 136 M C 0.049 176.412 176.300 0.104 0.000 1.153 136 M CA -0.018 55.322 55.300 0.066 0.000 0.924 136 M CB 1.959 34.575 32.600 0.027 0.000 1.710 136 M HN -0.278 nan 8.290 nan 0.000 0.451 137 R N 0.141 120.706 120.500 0.108 0.000 2.344 137 R HA 0.209 4.549 4.340 -0.000 0.000 0.209 137 R C -0.535 175.841 176.300 0.127 0.000 0.886 137 R CA 0.173 56.360 56.100 0.145 0.000 1.040 137 R CB 0.374 30.766 30.300 0.153 0.000 1.114 137 R HN 0.865 nan 8.270 nan 0.000 0.547 138 E N 2.824 123.077 120.200 0.089 0.000 3.622 138 E HA -0.183 4.167 4.350 -0.000 0.000 0.240 138 E C -0.341 176.311 176.600 0.086 0.000 0.889 138 E CA 0.865 57.309 56.400 0.074 0.000 0.938 138 E CB -1.203 28.529 29.700 0.053 0.000 0.871 138 E HN 0.380 nan 8.360 nan 0.000 0.576 139 D N 2.535 122.984 120.400 0.082 0.000 7.026 139 D HA -0.313 4.327 4.640 -0.000 0.000 0.073 139 D C 0.352 176.717 176.300 0.108 0.000 0.930 139 D CA 1.176 55.227 54.000 0.086 0.000 0.750 139 D CB 0.347 41.183 40.800 0.060 0.000 1.487 139 D HN 0.627 nan 8.370 nan 0.000 0.830 140 R N -0.017 120.569 120.500 0.144 0.000 4.037 140 R HA -0.243 4.097 4.340 -0.000 0.000 0.418 140 R C -0.248 176.181 176.300 0.215 0.000 0.701 140 R CA 1.896 58.110 56.100 0.191 0.000 1.660 140 R CB -2.108 28.269 30.300 0.128 0.000 2.238 140 R HN 0.597 nan 8.270 nan 0.000 0.429 141 S N 0.610 116.397 115.700 0.146 0.000 2.475 141 S HA 0.594 5.064 4.470 -0.000 0.000 0.298 141 S C -0.127 174.556 174.600 0.137 0.000 1.119 141 S CA -0.727 57.526 58.200 0.090 0.000 1.085 141 S CB 2.793 66.044 63.200 0.084 0.000 1.028 141 S HN 0.136 nan 8.310 nan 0.000 0.489 142 V N 3.263 123.238 119.914 0.102 0.000 2.487 142 V HA 0.521 4.641 4.120 -0.000 0.000 0.298 142 V C 0.007 176.178 176.094 0.128 0.000 1.028 142 V CA -0.841 61.555 62.300 0.159 0.000 0.860 142 V CB 1.577 33.532 31.823 0.220 0.000 0.991 142 V HN 0.783 nan 8.190 nan 0.000 0.427 143 R N 4.875 125.460 120.500 0.142 0.000 2.246 143 R HA 0.611 4.951 4.340 -0.000 0.000 0.332 143 R C -1.257 175.145 176.300 0.171 0.000 0.974 143 R CA -0.456 55.741 56.100 0.162 0.000 0.837 143 R CB 0.775 31.145 30.300 0.116 0.000 1.145 143 R HN 0.711 nan 8.270 nan 0.000 0.467 144 L N 1.773 123.105 121.223 0.181 0.000 2.375 144 L HA 0.353 4.693 4.340 -0.000 0.000 0.268 144 L C 0.436 177.414 176.870 0.180 0.000 1.058 144 L CA -0.622 54.302 54.840 0.139 0.000 0.803 144 L CB 1.798 43.893 42.059 0.059 0.000 1.212 144 L HN 0.525 nan 8.230 nan 0.000 0.451 145 S N 2.333 118.073 115.700 0.066 0.000 2.532 145 S HA 0.522 4.992 4.470 -0.000 0.000 0.256 145 S C -0.557 173.906 174.600 -0.227 0.000 1.298 145 S CA -0.617 57.521 58.200 -0.104 0.000 1.166 145 S CB -0.115 63.080 63.200 -0.007 0.000 1.022 145 S HN 0.396 nan 8.310 nan 0.000 0.480 146 I N 3.844 124.149 120.570 -0.441 0.000 2.472 146 I HA 0.371 4.541 4.170 -0.000 0.000 0.290 146 I C 0.242 176.120 176.117 -0.397 0.000 1.016 146 I CA -0.451 60.593 61.300 -0.426 0.000 1.348 146 I CB 1.447 39.085 38.000 -0.604 0.000 1.417 146 I HN 0.581 nan 8.210 nan 0.000 0.521 147 Q N 5.491 125.176 119.800 -0.191 0.000 2.330 147 Q HA 0.442 4.781 4.340 -0.000 0.000 0.269 147 Q C -1.086 174.650 176.000 -0.441 0.000 1.022 147 Q CA -0.677 55.000 55.803 -0.209 0.000 0.796 147 Q CB 1.696 30.344 28.738 -0.150 0.000 1.271 147 Q HN 0.764 nan 8.270 nan 0.000 0.450 148 S N 2.297 117.603 115.700 -0.657 0.000 2.616 148 S HA 0.474 4.944 4.470 -0.000 0.000 0.277 148 S C -0.041 174.008 174.600 -0.918 0.000 1.234 148 S CA -0.882 56.467 58.200 -1.420 0.000 1.028 148 S CB 1.696 64.249 63.200 -1.078 0.000 0.988 148 S HN 0.628 nan 8.310 nan 0.000 0.522 149 S N 2.140 117.225 115.700 -1.025 0.000 2.565 149 S HA 0.284 4.753 4.470 -0.000 0.000 0.276 149 S C -1.385 173.081 174.600 -0.224 0.000 1.326 149 S CA -1.710 56.257 58.200 -0.388 0.000 1.045 149 S CB 0.403 63.530 63.200 -0.122 0.000 0.918 149 S HN 0.657 nan 8.310 nan 0.000 0.505 150 P HA 0.016 nan 4.420 nan 0.000 0.237 150 P C 0.010 177.316 177.300 0.011 0.000 1.178 150 P CA 0.788 63.858 63.100 -0.049 0.000 0.766 150 P CB 0.059 31.742 31.700 -0.028 0.000 0.876 151 K N -0.846 119.567 120.400 0.022 0.000 2.493 151 K HA 0.130 4.450 4.320 -0.000 0.000 0.207 151 K C 0.517 177.164 176.600 0.078 0.000 1.033 151 K CA -0.382 55.947 56.287 0.070 0.000 1.161 151 K CB -0.189 32.359 32.500 0.080 0.000 0.873 151 K HN 0.102 nan 8.250 nan 0.000 0.491 152 C N 1.498 120.822 119.300 0.040 0.000 2.676 152 C HA 0.185 4.644 4.460 -0.000 0.000 0.416 152 C C 0.613 175.648 174.990 0.075 0.000 1.299 152 C CA -0.872 58.204 59.018 0.097 0.000 2.048 152 C CB -0.521 27.244 27.740 0.042 0.000 2.713 152 C HN 0.298 nan 8.230 nan 0.000 0.624 153 I N 5.317 126.007 120.570 0.199 0.000 2.648 153 I HA 0.115 4.285 4.170 -0.000 0.000 0.284 153 I C 0.502 176.708 176.117 0.149 0.000 1.153 153 I CA 0.865 62.263 61.300 0.163 0.000 1.426 153 I CB 0.378 38.505 38.000 0.212 0.000 1.381 153 I HN 0.375 nan 8.210 nan 0.000 0.571 154 V N 6.402 126.282 119.914 -0.057 0.000 2.432 154 V HA 0.840 4.960 4.120 -0.000 0.000 0.275 154 V C 0.639 176.728 176.094 -0.009 0.000 1.043 154 V CA 0.351 62.589 62.300 -0.103 0.000 0.925 154 V CB 0.390 31.996 31.823 -0.361 0.000 0.985 154 V HN 1.054 nan 8.190 nan 0.000 0.466 155 G N 4.312 113.155 108.800 0.071 0.000 2.317 155 G HA2 0.253 4.213 3.960 -0.000 0.000 0.293 155 G HA3 0.253 4.213 3.960 -0.000 0.000 0.293 155 G C -1.336 173.568 174.900 0.006 0.000 1.287 155 G CA -0.833 44.251 45.100 -0.027 0.000 0.850 155 G HN 0.560 nan 8.290 nan 0.000 0.515 156 K N 0.777 121.064 120.400 -0.188 0.000 2.257 156 K HA 0.536 4.856 4.320 -0.000 0.000 0.270 156 K C -0.790 175.686 176.600 -0.207 0.000 1.098 156 K CA -0.454 55.625 56.287 -0.346 0.000 0.943 156 K CB -0.029 32.121 32.500 -0.583 0.000 1.316 156 K HN 0.211 nan 8.250 nan 0.000 0.447 157 F N 1.945 121.776 119.950 -0.199 0.000 2.370 157 F HA 0.406 4.933 4.527 -0.000 0.000 0.319 157 F C 0.914 176.677 175.800 -0.062 0.000 1.129 157 F CA -0.686 57.266 58.000 -0.079 0.000 1.109 157 F CB 0.678 39.673 39.000 -0.009 0.000 1.262 157 F HN 0.290 nan 8.300 nan 0.000 0.534 158 R N 1.185 121.803 120.500 0.195 0.000 2.428 158 R HA 0.533 4.873 4.340 -0.000 0.000 0.294 158 R C -0.615 175.690 176.300 0.009 0.000 1.000 158 R CA -0.629 55.477 56.100 0.011 0.000 0.960 158 R CB 1.482 31.763 30.300 -0.030 0.000 1.076 158 R HN 0.662 nan 8.270 nan 0.000 0.475 159 M N 3.053 122.517 119.600 -0.227 0.000 2.364 159 M HA 0.431 4.911 4.480 -0.000 0.000 0.334 159 M C -1.668 174.285 176.300 -0.578 0.000 1.107 159 M CA -0.482 54.615 55.300 -0.338 0.000 0.988 159 M CB 1.075 33.555 32.600 -0.201 0.000 1.673 159 M HN 0.562 nan 8.290 nan 0.000 0.441 160 Y N 1.925 122.090 120.300 -0.225 0.000 2.615 160 Y HA 0.655 5.204 4.550 -0.000 0.000 0.341 160 Y C -0.869 174.929 175.900 -0.169 0.000 1.089 160 Y CA -0.880 57.128 58.100 -0.154 0.000 1.049 160 Y CB 2.174 40.568 38.460 -0.110 0.000 1.296 160 Y HN 0.378 nan 8.280 nan 0.000 0.470 161 V N 1.575 121.545 119.914 0.093 0.000 2.483 161 V HA 0.837 4.957 4.120 -0.000 0.000 0.297 161 V C -0.559 175.591 176.094 0.094 0.000 1.027 161 V CA -0.942 61.410 62.300 0.086 0.000 0.855 161 V CB 1.241 33.143 31.823 0.132 0.000 0.995 161 V HN 0.844 nan 8.190 nan 0.000 0.424 162 A N 4.432 127.296 122.820 0.073 0.000 2.304 162 A HA 0.888 5.208 4.320 -0.000 0.000 0.323 162 A C -0.737 176.907 177.584 0.100 0.000 1.195 162 A CA -0.578 51.450 52.037 -0.016 0.000 0.826 162 A CB 1.523 20.431 19.000 -0.153 0.000 1.184 162 A HN 0.735 nan 8.150 nan 0.000 0.496 163 V N 3.131 123.066 119.914 0.034 0.000 2.409 163 V HA 0.244 4.364 4.120 -0.000 0.000 0.291 163 V C -0.335 175.785 176.094 0.044 0.000 1.020 163 V CA -0.805 61.574 62.300 0.133 0.000 0.848 163 V CB 1.251 33.115 31.823 0.068 0.000 0.990 163 V HN 0.919 nan 8.190 nan 0.000 0.430 164 W N 2.791 124.143 121.300 0.087 0.000 2.181 164 W HA 0.356 5.016 4.660 -0.000 0.000 0.335 164 W C 0.183 176.734 176.519 0.053 0.000 1.310 164 W CA 0.396 57.781 57.345 0.066 0.000 1.226 164 W CB 1.433 30.937 29.460 0.074 0.000 1.155 164 W HN 0.444 nan 8.180 nan 0.000 0.565 165 T N 5.432 120.104 114.554 0.198 0.000 2.916 165 T HA 0.178 4.528 4.350 -0.000 0.000 0.298 165 T C -1.331 173.513 174.700 0.241 0.000 1.031 165 T CA -1.046 61.154 62.100 0.166 0.000 0.993 165 T CB 2.410 71.319 68.868 0.068 0.000 1.045 165 T HN 0.207 nan 8.240 nan 0.000 0.454 166 P HA -0.111 nan 4.420 nan 0.000 0.217 166 P C 0.409 177.904 177.300 0.324 0.000 1.148 166 P CA 1.223 64.491 63.100 0.281 0.000 0.828 166 P CB 0.117 31.986 31.700 0.281 0.000 0.783 167 Y N 0.050 120.390 120.300 0.066 0.000 2.718 167 Y HA 0.467 5.017 4.550 -0.000 0.000 0.322 167 Y C 1.770 177.679 175.900 0.016 0.000 1.122 167 Y CA 0.313 58.437 58.100 0.041 0.000 1.348 167 Y CB -0.157 38.325 38.460 0.036 0.000 1.174 167 Y HN 0.093 nan 8.280 nan 0.000 0.523 168 G N -1.018 107.868 108.800 0.144 0.000 2.306 168 G HA2 0.056 4.016 3.960 -0.000 0.000 0.262 168 G HA3 0.056 4.016 3.960 -0.000 0.000 0.262 168 G C -1.841 172.991 174.900 -0.114 0.000 1.263 168 G CA -0.742 44.370 45.100 0.020 0.000 1.088 168 G HN -0.070 nan 8.290 nan 0.000 0.489 169 V N 1.136 120.912 119.914 -0.230 0.000 2.540 169 V HA 0.634 4.754 4.120 -0.000 0.000 0.302 169 V C -0.026 175.914 176.094 -0.256 0.000 1.035 169 V CA -0.938 61.121 62.300 -0.401 0.000 0.873 169 V CB 1.640 33.077 31.823 -0.644 0.000 0.992 169 V HN 0.708 nan 8.190 nan 0.000 0.428 170 L N 5.291 126.386 121.223 -0.214 0.000 2.275 170 L HA 0.630 4.970 4.340 -0.000 0.000 0.288 170 L C 0.064 176.852 176.870 -0.136 0.000 1.046 170 L CA 0.094 54.840 54.840 -0.156 0.000 0.805 170 L CB 1.327 43.301 42.059 -0.141 0.000 1.193 170 L HN 0.775 nan 8.230 nan 0.000 0.426 171 R N 1.809 122.236 120.500 -0.122 0.000 2.673 171 R HA 0.492 4.832 4.340 -0.000 0.000 0.281 171 R C -0.471 175.814 176.300 -0.025 0.000 0.991 171 R CA -0.463 55.585 56.100 -0.087 0.000 0.896 171 R CB 1.802 31.999 30.300 -0.171 0.000 1.201 171 R HN 0.651 nan 8.270 nan 0.000 0.457 172 T N 1.394 115.984 114.554 0.060 0.000 2.724 172 T HA 0.040 4.390 4.350 -0.000 0.000 0.324 172 T C 0.351 175.150 174.700 0.165 0.000 1.071 172 T CA -0.102 62.056 62.100 0.098 0.000 1.061 172 T CB 0.606 69.543 68.868 0.116 0.000 0.990 172 T HN 0.525 nan 8.240 nan 0.000 0.543 173 S N -0.010 115.756 115.700 0.110 0.000 2.707 173 S HA 0.358 4.828 4.470 -0.000 0.000 0.276 173 S C 0.448 175.143 174.600 0.157 0.000 1.179 173 S CA -0.904 57.371 58.200 0.125 0.000 0.992 173 S CB 0.611 63.835 63.200 0.039 0.000 1.030 173 S HN 0.415 nan 8.310 nan 0.000 0.554 174 R N 2.371 122.961 120.500 0.149 0.000 2.484 174 R HA 0.073 4.413 4.340 -0.000 0.000 0.293 174 R C -0.649 175.615 176.300 -0.060 0.000 1.023 174 R CA 0.330 56.456 56.100 0.044 0.000 1.037 174 R CB -0.353 29.980 30.300 0.054 0.000 0.951 174 R HN 0.456 nan 8.270 nan 0.000 0.418 175 N N 4.802 123.408 118.700 -0.158 0.000 2.609 175 N HA 0.264 5.004 4.740 -0.000 0.000 0.268 175 N C -2.299 173.132 175.510 -0.132 0.000 1.106 175 N CA -1.901 51.071 53.050 -0.129 0.000 0.823 175 N CB 1.637 40.041 38.487 -0.139 0.000 1.263 175 N HN 0.151 nan 8.380 nan 0.000 0.533 176 P HA -0.136 nan 4.420 nan 0.000 0.219 176 P C 1.008 178.265 177.300 -0.072 0.000 1.146 176 P CA 0.784 63.836 63.100 -0.080 0.000 0.808 176 P CB 0.428 32.094 31.700 -0.055 0.000 0.779 177 E N -0.328 119.831 120.200 -0.068 0.000 2.160 177 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 177 E C 1.186 177.748 176.600 -0.063 0.000 0.991 177 E CA 1.864 58.229 56.400 -0.058 0.000 0.810 177 E CB -0.277 29.388 29.700 -0.059 0.000 0.742 177 E HN 0.309 nan 8.360 nan 0.000 0.466 178 T N -0.902 113.601 114.554 -0.084 0.000 3.129 178 T HA 0.033 4.383 4.350 -0.000 0.000 0.251 178 T C 0.285 174.951 174.700 -0.057 0.000 1.117 178 T CA -0.339 61.716 62.100 -0.074 0.000 1.034 178 T CB -0.047 68.758 68.868 -0.104 0.000 0.968 178 T HN -0.125 nan 8.240 nan 0.000 0.526 179 D N 3.120 123.470 120.400 -0.083 0.000 2.531 179 D HA 0.136 4.775 4.640 -0.000 0.000 0.239 179 D C -0.136 176.101 176.300 -0.106 0.000 1.144 179 D CA 0.851 54.784 54.000 -0.111 0.000 0.869 179 D CB 0.658 41.361 40.800 -0.161 0.000 1.160 179 D HN 0.205 nan 8.370 nan 0.000 0.484 180 T N 2.735 117.231 114.554 -0.097 0.000 2.807 180 T HA 0.316 4.666 4.350 -0.000 0.000 0.279 180 T C -0.395 174.208 174.700 -0.161 0.000 0.993 180 T CA -0.499 61.536 62.100 -0.108 0.000 0.970 180 T CB 0.539 69.350 68.868 -0.095 0.000 0.950 180 T HN 0.093 nan 8.240 nan 0.000 0.441 181 Y N 2.284 122.496 120.300 -0.146 0.000 2.320 181 Y HA 0.587 5.136 4.550 -0.000 0.000 0.334 181 Y C 0.365 176.141 175.900 -0.207 0.000 1.055 181 Y CA -0.887 57.138 58.100 -0.126 0.000 1.143 181 Y CB 0.853 39.202 38.460 -0.185 0.000 1.193 181 Y HN 0.442 nan 8.280 nan 0.000 0.477 182 I N 5.217 125.804 120.570 0.028 0.000 2.436 182 I HA 0.422 4.592 4.170 -0.000 0.000 0.289 182 I C -0.671 175.406 176.117 -0.066 0.000 1.010 182 I CA -0.457 60.776 61.300 -0.112 0.000 1.098 182 I CB 1.338 39.217 38.000 -0.200 0.000 1.266 182 I HN 0.443 nan 8.210 nan 0.000 0.434 183 L N 3.883 125.050 121.223 -0.093 0.000 2.211 183 L HA 0.600 4.940 4.340 -0.000 0.000 0.259 183 L C -0.720 176.098 176.870 -0.087 0.000 1.031 183 L CA -0.936 53.858 54.840 -0.078 0.000 0.877 183 L CB 1.075 43.155 42.059 0.036 0.000 1.457 183 L HN 0.245 nan 8.230 nan 0.000 0.466 184 F N 0.425 120.437 119.950 0.103 0.000 2.450 184 F HA 0.175 4.702 4.527 -0.000 0.000 0.339 184 F C 0.725 176.639 175.800 0.189 0.000 1.146 184 F CA 0.052 58.124 58.000 0.120 0.000 1.267 184 F CB 0.283 39.342 39.000 0.099 0.000 1.178 184 F HN 0.298 nan 8.300 nan 0.000 0.585 185 N N 3.462 122.393 118.700 0.386 0.000 2.696 185 N HA 0.303 5.043 4.740 -0.000 0.000 0.246 185 N C -2.294 173.449 175.510 0.388 0.000 1.057 185 N CA -1.991 51.298 53.050 0.399 0.000 0.867 185 N CB 1.270 39.923 38.487 0.278 0.000 1.141 185 N HN 0.114 nan 8.380 nan 0.000 0.517 186 P HA 0.024 nan 4.420 nan 0.000 0.226 186 P C 0.964 178.261 177.300 -0.005 0.000 1.153 186 P CA 0.823 63.906 63.100 -0.028 0.000 0.777 186 P CB 0.184 31.595 31.700 -0.480 0.000 0.794 187 W N -2.052 119.327 121.300 0.132 0.000 2.737 187 W HA 0.138 4.798 4.660 -0.000 0.000 0.262 187 W C 0.630 177.240 176.519 0.152 0.000 1.282 187 W CA -0.210 57.225 57.345 0.149 0.000 1.386 187 W CB -0.545 28.944 29.460 0.047 0.000 1.099 187 W HN -0.111 nan 8.180 nan 0.000 0.621 188 C N 2.551 122.021 119.300 0.284 0.000 2.415 188 C HA 0.163 4.622 4.460 -0.000 0.000 0.369 188 C C 1.628 176.405 174.990 -0.356 0.000 1.279 188 C CA -0.033 58.985 59.018 -0.001 0.000 1.886 188 C CB 0.322 28.086 27.740 0.041 0.000 2.468 188 C HN 0.336 nan 8.230 nan 0.000 0.553 189 E N 1.795 121.605 120.200 -0.650 0.000 2.338 189 E HA -0.117 4.232 4.350 -0.000 0.000 0.197 189 E C 0.823 177.183 176.600 -0.400 0.000 1.007 189 E CA 0.962 56.761 56.400 -1.001 0.000 0.849 189 E CB 0.150 29.448 29.700 -0.670 0.000 0.774 189 E HN 0.716 nan 8.360 nan 0.000 0.506 190 D N 0.808 121.088 120.400 -0.201 0.000 2.339 190 D HA -0.023 4.617 4.640 -0.000 0.000 0.217 190 D C 0.127 176.424 176.300 -0.006 0.000 1.050 190 D CA 0.334 54.286 54.000 -0.079 0.000 0.856 190 D CB 0.201 40.963 40.800 -0.063 0.000 0.922 190 D HN 0.055 nan 8.370 nan 0.000 0.518 191 D N 0.159 120.574 120.400 0.025 0.000 2.255 191 D HA 0.235 4.875 4.640 -0.000 0.000 0.249 191 D C 0.991 177.391 176.300 0.166 0.000 1.078 191 D CA -0.302 53.772 54.000 0.123 0.000 0.896 191 D CB 1.924 42.833 40.800 0.180 0.000 1.194 191 D HN -0.077 nan 8.370 nan 0.000 0.429 192 A N 3.130 126.044 122.820 0.157 0.000 1.972 192 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 192 A C 1.992 179.651 177.584 0.125 0.000 1.169 192 A CA 0.851 52.957 52.037 0.116 0.000 0.635 192 A CB -0.218 18.833 19.000 0.085 0.000 0.810 192 A HN 0.471 nan 8.150 nan 0.000 0.446 193 V N -0.464 119.540 119.914 0.150 0.000 3.630 193 V HA -0.034 4.086 4.120 -0.000 0.000 0.273 193 V C 0.681 176.897 176.094 0.203 0.000 1.248 193 V CA 0.063 62.436 62.300 0.121 0.000 1.170 193 V CB -1.450 30.394 31.823 0.034 0.000 0.899 193 V HN 0.585 nan 8.190 nan 0.000 0.457 194 Y N 1.256 121.622 120.300 0.110 0.000 2.754 194 Y HA 0.173 4.722 4.550 -0.000 0.000 0.349 194 Y C 0.038 175.888 175.900 -0.084 0.000 1.179 194 Y CA -0.214 57.902 58.100 0.026 0.000 1.538 194 Y CB -0.036 38.449 38.460 0.043 0.000 1.200 194 Y HN 0.129 nan 8.280 nan 0.000 0.522 195 L N 7.553 128.332 121.223 -0.741 0.000 2.265 195 L HA 0.166 4.506 4.340 -0.000 0.000 0.288 195 L C 0.747 176.866 176.870 -1.252 0.000 1.058 195 L CA -0.397 53.767 54.840 -1.127 0.000 0.809 195 L CB 0.762 42.294 42.059 -0.878 0.000 1.179 195 L HN 0.734 nan 8.230 nan 0.000 0.429 196 D N 2.428 122.128 120.400 -1.166 0.000 2.324 196 D HA -0.057 4.583 4.640 -0.000 0.000 0.235 196 D C 0.029 176.075 176.300 -0.423 0.000 1.095 196 D CA 0.069 53.580 54.000 -0.815 0.000 0.871 196 D CB 0.136 40.634 40.800 -0.503 0.000 0.906 196 D HN 0.275 nan 8.370 nan 0.000 0.522 197 N N 0.960 119.396 118.700 -0.439 0.000 2.410 197 N HA 0.019 4.758 4.740 -0.000 0.000 0.287 197 N C 0.482 175.830 175.510 -0.271 0.000 1.044 197 N CA -0.243 52.642 53.050 -0.274 0.000 0.881 197 N CB 2.525 40.872 38.487 -0.232 0.000 1.405 197 N HN -0.232 nan 8.380 nan 0.000 0.490 198 E N 3.337 123.437 120.200 -0.168 0.000 2.049 198 E HA -0.160 4.190 4.350 -0.000 0.000 0.198 198 E C 0.989 177.502 176.600 -0.144 0.000 1.007 198 E CA 1.909 58.230 56.400 -0.132 0.000 0.809 198 E CB 0.188 29.886 29.700 -0.004 0.000 0.749 198 E HN 0.599 nan 8.360 nan 0.000 0.450 199 K N 0.022 120.350 120.400 -0.120 0.000 2.211 199 K HA -0.185 4.135 4.320 -0.000 0.000 0.204 199 K C 2.161 178.625 176.600 -0.227 0.000 1.047 199 K CA 1.520 57.729 56.287 -0.129 0.000 0.935 199 K CB -0.128 32.313 32.500 -0.098 0.000 0.728 199 K HN 0.307 nan 8.250 nan 0.000 0.452 200 E N 0.292 120.331 120.200 -0.268 0.000 2.158 200 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 200 E C 1.958 178.354 176.600 -0.340 0.000 0.982 200 E CA 0.494 56.677 56.400 -0.362 0.000 0.823 200 E CB 0.139 29.732 29.700 -0.179 0.000 0.766 200 E HN 0.239 nan 8.360 nan 0.000 0.468 201 R N 0.870 121.154 120.500 -0.359 0.000 2.148 201 R HA -0.083 4.256 4.340 -0.000 0.000 0.227 201 R C 2.024 178.194 176.300 -0.216 0.000 1.103 201 R CA 0.863 56.694 56.100 -0.448 0.000 0.983 201 R CB -0.058 29.729 30.300 -0.855 0.000 0.874 201 R HN 0.238 nan 8.270 nan 0.000 0.451 202 E N 0.655 120.770 120.200 -0.141 0.000 2.016 202 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 202 E C 1.872 178.441 176.600 -0.052 0.000 0.985 202 E CA 0.623 57.010 56.400 -0.021 0.000 0.802 202 E CB -0.030 29.660 29.700 -0.016 0.000 0.762 202 E HN 0.199 nan 8.360 nan 0.000 0.448 203 E N 0.781 120.854 120.200 -0.212 0.000 2.038 203 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 203 E C 1.948 178.480 176.600 -0.113 0.000 1.000 203 E CA 1.257 57.505 56.400 -0.253 0.000 0.803 203 E CB -0.222 29.119 29.700 -0.598 0.000 0.750 203 E HN 0.308 nan 8.360 nan 0.000 0.448 204 Y N -0.718 119.601 120.300 0.031 0.000 2.571 204 Y HA -0.019 4.531 4.550 -0.000 0.000 0.294 204 Y C 2.106 178.011 175.900 0.007 0.000 1.141 204 Y CA 0.269 58.394 58.100 0.042 0.000 1.308 204 Y CB -0.010 38.510 38.460 0.099 0.000 1.002 204 Y HN -0.094 nan 8.280 nan 0.000 0.551 205 V N -2.405 117.583 119.914 0.124 0.000 3.102 205 V HA 0.011 4.131 4.120 -0.000 0.000 0.225 205 V C 1.518 177.738 176.094 0.210 0.000 1.301 205 V CA 0.185 62.568 62.300 0.137 0.000 1.308 205 V CB -0.124 31.785 31.823 0.144 0.000 1.129 205 V HN -0.001 nan 8.190 nan 0.000 0.502 206 L N 0.778 122.169 121.223 0.280 0.000 2.418 206 L HA 0.198 4.538 4.340 -0.000 0.000 0.218 206 L C 1.053 178.151 176.870 0.380 0.000 1.125 206 L CA 0.935 56.038 54.840 0.438 0.000 0.835 206 L CB -1.527 40.738 42.059 0.344 0.000 0.953 206 L HN 0.413 nan 8.230 nan 0.000 0.454 207 N N 1.284 120.110 118.700 0.209 0.000 2.431 207 N HA -0.045 4.694 4.740 -0.000 0.000 0.265 207 N C 0.361 175.992 175.510 0.201 0.000 1.184 207 N CA -0.116 53.041 53.050 0.178 0.000 0.943 207 N CB 0.738 39.302 38.487 0.128 0.000 1.080 207 N HN 0.128 nan 8.380 nan 0.000 0.477 208 D N 3.774 124.279 120.400 0.175 0.000 2.369 208 D HA 0.077 4.717 4.640 -0.000 0.000 0.211 208 D C 0.046 176.395 176.300 0.082 0.000 1.077 208 D CA 0.109 54.195 54.000 0.143 0.000 0.842 208 D CB 0.425 41.263 40.800 0.065 0.000 0.947 208 D HN 0.239 nan 8.370 nan 0.000 0.509 209 I N 0.927 121.500 120.570 0.005 0.000 2.474 209 I HA 0.664 4.834 4.170 -0.000 0.000 0.294 209 I C 0.659 176.650 176.117 -0.209 0.000 1.005 209 I CA -0.655 60.533 61.300 -0.187 0.000 1.113 209 I CB 1.519 39.420 38.000 -0.165 0.000 1.289 209 I HN 0.013 nan 8.210 nan 0.000 0.436 210 G N 4.001 112.529 108.800 -0.452 0.000 2.672 210 G HA2 0.652 4.612 3.960 -0.000 0.000 0.292 210 G HA3 0.652 4.612 3.960 -0.000 0.000 0.292 210 G C -1.441 173.358 174.900 -0.169 0.000 1.375 210 G CA -0.549 44.406 45.100 -0.243 0.000 0.890 210 G HN 0.495 nan 8.290 nan 0.000 0.476 211 V N -0.891 118.973 119.914 -0.084 0.000 2.495 211 V HA 0.807 4.927 4.120 -0.000 0.000 0.298 211 V C -0.621 175.324 176.094 -0.248 0.000 1.031 211 V CA -1.010 61.157 62.300 -0.221 0.000 0.871 211 V CB 1.233 32.852 31.823 -0.340 0.000 0.988 211 V HN 0.622 nan 8.190 nan 0.000 0.432 212 I N 5.789 126.170 120.570 -0.314 0.000 2.339 212 I HA 0.447 4.617 4.170 -0.000 0.000 0.290 212 I C -0.688 175.219 176.117 -0.351 0.000 0.994 212 I CA -0.262 60.885 61.300 -0.255 0.000 1.191 212 I CB 1.417 39.257 38.000 -0.265 0.000 1.343 212 I HN 0.553 nan 8.210 nan 0.000 0.458 213 F N 6.781 126.664 119.950 -0.111 0.000 2.396 213 F HA 0.388 4.915 4.527 -0.000 0.000 0.343 213 F C 0.297 176.004 175.800 -0.156 0.000 1.104 213 F CA 0.030 57.994 58.000 -0.059 0.000 1.161 213 F CB 0.659 39.624 39.000 -0.058 0.000 1.146 213 F HN 0.426 nan 8.300 nan 0.000 0.522 214 Y N -0.091 120.035 120.300 -0.290 0.000 3.133 214 Y HA 0.839 5.388 4.550 -0.000 0.000 0.279 214 Y C 0.550 176.264 175.900 -0.310 0.000 1.930 214 Y CA -1.288 56.359 58.100 -0.755 0.000 1.059 214 Y CB 0.138 37.989 38.460 -1.015 0.000 1.966 214 Y HN 0.863 nan 8.280 nan 0.000 0.435 215 G N 1.145 109.747 108.800 -0.331 0.000 2.652 215 G HA2 0.089 4.049 3.960 -0.000 0.000 0.278 215 G HA3 0.089 4.049 3.960 -0.000 0.000 0.278 215 G C -0.645 174.358 174.900 0.172 0.000 1.263 215 G CA 1.031 46.049 45.100 -0.136 0.000 0.966 215 G HN 1.527 nan 8.290 nan 0.000 0.544 216 E N -1.633 118.598 120.200 0.052 0.000 2.390 216 E HA 0.629 4.979 4.350 -0.000 0.000 0.280 216 E C 0.755 177.100 176.600 -0.425 0.000 0.992 216 E CA -0.139 56.261 56.400 0.000 0.000 0.790 216 E CB 1.029 30.757 29.700 0.046 0.000 1.248 216 E HN 1.224 nan 8.360 nan 0.000 0.447 217 V N 1.082 120.544 119.914 -0.753 0.000 2.313 217 V HA -0.435 3.685 4.120 -0.000 0.000 0.261 217 V C 1.270 177.036 176.094 -0.546 0.000 1.096 217 V CA 2.707 64.459 62.300 -0.913 0.000 1.090 217 V CB -1.403 30.118 31.823 -0.503 0.000 0.683 217 V HN 0.897 nan 8.190 nan 0.000 0.452 218 N N -1.240 117.281 118.700 -0.300 0.000 2.235 218 N HA 0.154 4.893 4.740 -0.000 0.000 0.231 218 N C -0.143 175.267 175.510 -0.167 0.000 1.177 218 N CA 0.235 53.164 53.050 -0.202 0.000 0.874 218 N CB 0.650 39.067 38.487 -0.116 0.000 1.097 218 N HN 0.489 nan 8.380 nan 0.000 0.518 219 D N 1.264 121.546 120.400 -0.196 0.000 2.978 219 D HA 0.208 4.848 4.640 -0.000 0.000 0.268 219 D C -1.162 175.022 176.300 -0.194 0.000 1.252 219 D CA -0.514 53.391 54.000 -0.158 0.000 0.771 219 D CB 0.211 40.935 40.800 -0.126 0.000 1.361 219 D HN 0.046 nan 8.370 nan 0.000 0.558 220 I N 2.540 122.995 120.570 -0.192 0.000 2.483 220 I HA 0.088 4.258 4.170 -0.000 0.000 0.291 220 I C 0.799 176.837 176.117 -0.132 0.000 1.112 220 I CA 0.051 61.270 61.300 -0.135 0.000 1.350 220 I CB 0.134 38.100 38.000 -0.057 0.000 1.419 220 I HN -0.115 nan 8.210 nan 0.000 0.523 221 K N 4.712 124.920 120.400 -0.321 0.000 2.118 221 K HA 0.642 4.962 4.320 -0.000 0.000 0.264 221 K C 0.215 176.661 176.600 -0.256 0.000 1.000 221 K CA -0.421 55.569 56.287 -0.495 0.000 0.929 221 K CB 1.340 33.085 32.500 -1.259 0.000 1.021 221 K HN 0.683 nan 8.250 nan 0.000 0.463 222 T N -0.776 113.721 114.554 -0.094 0.000 2.900 222 T HA 0.804 5.154 4.350 -0.000 0.000 0.295 222 T C -0.676 173.996 174.700 -0.046 0.000 1.044 222 T CA -1.144 60.868 62.100 -0.148 0.000 0.995 222 T CB 1.972 70.613 68.868 -0.379 0.000 1.072 222 T HN 0.613 nan 8.240 nan 0.000 0.473 223 R N -0.078 120.294 120.500 -0.215 0.000 2.643 223 R HA 0.723 5.062 4.340 -0.000 0.000 0.269 223 R C -1.282 174.838 176.300 -0.300 0.000 1.037 223 R CA -0.685 55.247 56.100 -0.280 0.000 0.894 223 R CB 0.811 30.771 30.300 -0.565 0.000 1.238 223 R HN 0.524 nan 8.270 nan 0.000 0.459 224 S N 2.143 117.705 115.700 -0.230 0.000 2.565 224 S HA 0.374 4.844 4.470 -0.000 0.000 0.276 224 S C -1.281 173.242 174.600 -0.128 0.000 1.326 224 S CA -0.499 57.595 58.200 -0.177 0.000 1.045 224 S CB 0.359 63.471 63.200 -0.147 0.000 0.918 224 S HN 0.502 nan 8.310 nan 0.000 0.505 225 W N 2.753 123.841 121.300 -0.354 0.000 2.739 225 W HA 0.382 5.042 4.660 -0.000 0.000 0.331 225 W C -0.498 175.740 176.519 -0.468 0.000 1.049 225 W CA -0.711 56.424 57.345 -0.349 0.000 1.234 225 W CB 1.787 31.066 29.460 -0.302 0.000 1.404 225 W HN 0.586 nan 8.180 nan 0.000 0.477 226 S N 5.165 120.441 115.700 -0.706 0.000 2.416 226 S HA 0.102 4.571 4.470 -0.000 0.000 0.302 226 S C 0.529 174.912 174.600 -0.363 0.000 1.120 226 S CA -0.166 57.735 58.200 -0.498 0.000 1.067 226 S CB 0.138 63.107 63.200 -0.385 0.000 1.057 226 S HN 0.410 nan 8.310 nan 0.000 0.518 227 Y N 4.086 124.392 120.300 0.010 0.000 2.200 227 Y HA 0.127 4.676 4.550 -0.000 0.000 0.290 227 Y C 2.310 178.190 175.900 -0.034 0.000 1.137 227 Y CA 0.387 58.531 58.100 0.074 0.000 1.163 227 Y CB -1.018 37.472 38.460 0.051 0.000 0.988 227 Y HN 0.903 nan 8.280 nan 0.000 0.518 228 G N 1.293 110.132 108.800 0.066 0.000 2.379 228 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.297 228 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.297 228 G C 1.185 176.064 174.900 -0.035 0.000 1.004 228 G CA 0.727 45.836 45.100 0.015 0.000 0.921 228 G HN 0.542 nan 8.290 nan 0.000 0.511 229 Q N -1.034 118.638 119.800 -0.212 0.000 2.364 229 Q HA -0.034 4.306 4.340 -0.000 0.000 0.207 229 Q C 1.633 177.417 176.000 -0.360 0.000 0.970 229 Q CA 1.441 57.039 55.803 -0.342 0.000 0.888 229 Q CB -0.258 28.154 28.738 -0.543 0.000 0.951 229 Q HN 0.609 nan 8.270 nan 0.000 0.469 230 F N 1.519 121.409 119.950 -0.100 0.000 2.749 230 F HA 0.283 4.810 4.527 -0.000 0.000 0.300 230 F C 0.918 176.730 175.800 0.021 0.000 1.103 230 F CA -0.587 57.299 58.000 -0.189 0.000 1.342 230 F CB 0.051 38.885 39.000 -0.278 0.000 1.098 230 F HN -0.117 nan 8.300 nan 0.000 0.586 231 E N 1.166 121.496 120.200 0.216 0.000 2.425 231 E HA -0.103 4.246 4.350 -0.000 0.000 0.258 231 E C -0.297 176.390 176.600 0.145 0.000 1.151 231 E CA -0.027 56.497 56.400 0.206 0.000 0.958 231 E CB 0.305 30.113 29.700 0.180 0.000 0.968 231 E HN 0.132 nan 8.360 nan 0.000 0.451 232 D N -0.661 119.789 120.400 0.083 0.000 2.472 232 D HA 0.120 4.760 4.640 -0.000 0.000 0.248 232 D C 0.977 177.302 176.300 0.040 0.000 1.174 232 D CA 1.343 55.362 54.000 0.032 0.000 0.883 232 D CB 0.020 40.790 40.800 -0.049 0.000 1.149 232 D HN 0.550 nan 8.370 nan 0.000 0.488 233 G N 3.602 112.431 108.800 0.048 0.000 2.217 233 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.246 233 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.246 233 G C 1.066 176.008 174.900 0.069 0.000 0.990 233 G CA 0.261 45.388 45.100 0.045 0.000 0.627 233 G HN 0.491 nan 8.290 nan 0.000 0.522 234 I N 0.950 121.574 120.570 0.091 0.000 2.163 234 I HA 0.005 4.175 4.170 -0.000 0.000 0.240 234 I C 2.830 179.018 176.117 0.118 0.000 1.081 234 I CA 1.391 62.755 61.300 0.107 0.000 1.353 234 I CB -1.465 36.594 38.000 0.099 0.000 1.054 234 I HN 0.359 nan 8.210 nan 0.000 0.407 235 L N 0.762 122.051 121.223 0.111 0.000 2.021 235 L HA -0.308 4.032 4.340 -0.000 0.000 0.215 235 L C 2.329 179.257 176.870 0.097 0.000 1.074 235 L CA 1.977 56.857 54.840 0.067 0.000 0.760 235 L CB -0.414 41.597 42.059 -0.079 0.000 0.889 235 L HN 0.323 nan 8.230 nan 0.000 0.433 236 D N -1.079 119.387 120.400 0.110 0.000 2.117 236 D HA -0.163 4.476 4.640 -0.000 0.000 0.197 236 D C 1.968 178.376 176.300 0.180 0.000 0.987 236 D CA 1.909 56.004 54.000 0.158 0.000 0.829 236 D CB -0.110 40.765 40.800 0.127 0.000 0.961 236 D HN 0.405 nan 8.370 nan 0.000 0.460 237 T N 0.629 115.281 114.554 0.164 0.000 2.759 237 T HA -0.148 4.202 4.350 -0.000 0.000 0.269 237 T C 2.285 177.198 174.700 0.355 0.000 1.042 237 T CA 0.761 63.003 62.100 0.237 0.000 1.140 237 T CB -0.448 68.541 68.868 0.202 0.000 0.864 237 T HN 0.245 nan 8.240 nan 0.000 0.455 238 C N 1.039 120.510 119.300 0.286 0.000 2.425 238 C HA 0.063 4.523 4.460 -0.000 0.000 0.277 238 C C 2.668 177.861 174.990 0.338 0.000 1.280 238 C CA 0.337 59.555 59.018 0.333 0.000 1.744 238 C CB -1.370 26.388 27.740 0.031 0.000 1.989 238 C HN 0.533 nan 8.230 nan 0.000 0.491 239 L N -0.666 120.702 121.223 0.242 0.000 2.201 239 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 239 L C 2.458 179.476 176.870 0.246 0.000 1.105 239 L CA 1.460 56.426 54.840 0.210 0.000 0.775 239 L CB -0.753 41.407 42.059 0.168 0.000 0.913 239 L HN 0.405 nan 8.230 nan 0.000 0.440 240 Y N 0.237 120.633 120.300 0.160 0.000 2.314 240 Y HA -0.146 4.404 4.550 -0.000 0.000 0.293 240 Y C 2.309 178.325 175.900 0.194 0.000 1.129 240 Y CA 1.044 59.226 58.100 0.137 0.000 1.201 240 Y CB -0.118 38.403 38.460 0.101 0.000 0.999 240 Y HN -0.172 nan 8.280 nan 0.000 0.541 241 V N 0.776 120.864 119.914 0.290 0.000 2.343 241 V HA -0.371 3.749 4.120 -0.000 0.000 0.247 241 V C 2.278 178.415 176.094 0.072 0.000 1.051 241 V CA 2.377 64.791 62.300 0.190 0.000 1.036 241 V CB -0.572 31.399 31.823 0.247 0.000 0.654 241 V HN 0.492 nan 8.190 nan 0.000 0.451 242 M N -0.741 118.952 119.600 0.155 0.000 2.254 242 M HA -0.101 4.379 4.480 -0.000 0.000 0.265 242 M C 1.794 178.106 176.300 0.020 0.000 1.066 242 M CA 1.387 56.752 55.300 0.107 0.000 1.123 242 M CB -0.590 32.111 32.600 0.169 0.000 1.388 242 M HN 0.297 nan 8.290 nan 0.000 0.425 243 D N 0.289 120.679 120.400 -0.017 0.000 2.123 243 D HA -0.070 4.570 4.640 -0.000 0.000 0.200 243 D C 2.159 178.383 176.300 -0.128 0.000 0.976 243 D CA 0.856 54.821 54.000 -0.059 0.000 0.831 243 D CB -0.211 40.563 40.800 -0.043 0.000 0.974 243 D HN 0.075 nan 8.370 nan 0.000 0.469 244 R N 0.817 121.165 120.500 -0.253 0.000 2.091 244 R HA -0.004 4.336 4.340 -0.000 0.000 0.238 244 R C 1.919 178.153 176.300 -0.110 0.000 1.136 244 R CA 1.055 57.008 56.100 -0.246 0.000 0.959 244 R CB -0.939 29.181 30.300 -0.300 0.000 0.856 244 R HN 0.158 nan 8.270 nan 0.000 0.437 245 A N 0.532 123.303 122.820 -0.081 0.000 2.206 245 A HA -0.050 4.270 4.320 -0.000 0.000 0.211 245 A C 0.339 177.897 177.584 -0.043 0.000 1.158 245 A CA 0.201 52.204 52.037 -0.057 0.000 0.761 245 A CB -0.137 18.831 19.000 -0.053 0.000 0.801 245 A HN 0.435 nan 8.150 nan 0.000 0.473 246 Q N -1.746 118.030 119.800 -0.040 0.000 2.463 246 Q HA -0.194 4.146 4.340 -0.000 0.000 0.299 246 Q C -0.044 175.948 176.000 -0.014 0.000 1.353 246 Q CA 0.817 56.605 55.803 -0.024 0.000 0.828 246 Q CB -1.636 27.087 28.738 -0.024 0.000 1.157 246 Q HN 0.808 nan 8.270 nan 0.000 0.436 247 M N 1.308 120.906 119.600 -0.005 0.000 2.162 247 M HA 0.134 4.614 4.480 -0.000 0.000 0.356 247 M C 0.050 176.359 176.300 0.015 0.000 1.303 247 M CA -0.263 55.042 55.300 0.008 0.000 1.116 247 M CB 0.591 33.209 32.600 0.030 0.000 1.632 247 M HN 0.148 nan 8.290 nan 0.000 0.469 248 D N 3.907 124.314 120.400 0.013 0.000 2.586 248 D HA -0.058 4.581 4.640 -0.000 0.000 0.234 248 D C 0.938 177.253 176.300 0.024 0.000 1.132 248 D CA 0.406 54.416 54.000 0.018 0.000 0.860 248 D CB 0.600 41.411 40.800 0.017 0.000 1.159 248 D HN 0.682 nan 8.370 nan 0.000 0.490 249 L N 2.749 123.982 121.223 0.017 0.000 2.042 249 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 249 L C 2.389 179.274 176.870 0.025 0.000 1.076 249 L CA 1.208 56.048 54.840 0.002 0.000 0.749 249 L CB -0.434 41.608 42.059 -0.029 0.000 0.893 249 L HN 0.438 nan 8.230 nan 0.000 0.432 250 S N -0.145 115.580 115.700 0.042 0.000 2.440 250 S HA -0.137 4.332 4.470 -0.000 0.000 0.238 250 S C 1.839 176.481 174.600 0.070 0.000 1.010 250 S CA 1.160 59.397 58.200 0.062 0.000 0.972 250 S CB -0.521 62.715 63.200 0.060 0.000 0.774 250 S HN 0.629 nan 8.310 nan 0.000 0.501 251 G N 1.155 109.993 108.800 0.062 0.000 2.838 251 G HA2 0.000 3.960 3.960 -0.000 0.000 0.210 251 G HA3 0.000 3.960 3.960 -0.000 0.000 0.210 251 G C 1.227 176.187 174.900 0.101 0.000 1.153 251 G CA -0.444 44.700 45.100 0.075 0.000 0.778 251 G HN 0.399 nan 8.290 nan 0.000 0.539 252 R N 0.577 121.132 120.500 0.092 0.000 2.357 252 R HA 0.016 4.356 4.340 -0.000 0.000 0.202 252 R C 1.981 178.364 176.300 0.138 0.000 1.047 252 R CA 0.587 56.757 56.100 0.117 0.000 1.034 252 R CB 0.084 30.425 30.300 0.068 0.000 0.875 252 R HN 0.259 nan 8.270 nan 0.000 0.473 253 G N 0.397 109.277 108.800 0.133 0.000 3.233 253 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.234 253 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.234 253 G C 0.037 175.142 174.900 0.341 0.000 1.137 253 G CA -0.330 44.838 45.100 0.114 0.000 0.763 253 G HN 0.062 nan 8.290 nan 0.000 0.549 254 N N 1.107 120.004 118.700 0.329 0.000 2.457 254 N HA 0.254 4.994 4.740 -0.000 0.000 0.250 254 N C -1.370 174.271 175.510 0.219 0.000 0.982 254 N CA -2.147 51.055 53.050 0.254 0.000 0.941 254 N CB 2.767 41.344 38.487 0.149 0.000 1.120 254 N HN -0.108 nan 8.380 nan 0.000 0.505 255 P HA -0.130 nan 4.420 nan 0.000 0.216 255 P C 1.578 178.851 177.300 -0.044 0.000 1.150 255 P CA 1.078 64.068 63.100 -0.184 0.000 0.837 255 P CB 0.698 32.198 31.700 -0.333 0.000 0.786 256 I N 0.207 120.776 120.570 -0.002 0.000 2.113 256 I HA -0.238 3.932 4.170 -0.000 0.000 0.238 256 I C 2.837 178.937 176.117 -0.028 0.000 1.070 256 I CA 1.727 63.028 61.300 0.002 0.000 1.332 256 I CB -0.655 37.376 38.000 0.052 0.000 1.044 256 I HN -0.076 nan 8.210 nan 0.000 0.402 257 K N 0.750 121.154 120.400 0.007 0.000 2.097 257 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 257 K C 2.026 178.644 176.600 0.031 0.000 1.049 257 K CA 1.246 57.525 56.287 -0.013 0.000 0.933 257 K CB 0.026 32.542 32.500 0.027 0.000 0.717 257 K HN 0.100 nan 8.250 nan 0.000 0.442 258 V N 1.019 120.996 119.914 0.106 0.000 2.295 258 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 258 V C 2.372 178.603 176.094 0.228 0.000 1.049 258 V CA 2.198 64.615 62.300 0.195 0.000 1.024 258 V CB -0.533 31.447 31.823 0.260 0.000 0.648 258 V HN 0.570 nan 8.190 nan 0.000 0.447 259 S N 0.551 116.356 115.700 0.176 0.000 2.406 259 S HA -0.222 4.248 4.470 -0.000 0.000 0.228 259 S C 2.030 176.697 174.600 0.112 0.000 1.020 259 S CA 1.346 59.717 58.200 0.284 0.000 0.965 259 S CB -0.427 62.911 63.200 0.230 0.000 0.798 259 S HN 0.466 nan 8.310 nan 0.000 0.488 260 R N 1.254 121.726 120.500 -0.048 0.000 2.081 260 R HA 0.093 4.433 4.340 -0.000 0.000 0.235 260 R C 1.953 178.141 176.300 -0.187 0.000 1.131 260 R CA 1.721 57.695 56.100 -0.210 0.000 0.960 260 R CB -0.956 29.126 30.300 -0.363 0.000 0.856 260 R HN 0.381 nan 8.270 nan 0.000 0.436 261 V N -0.438 119.414 119.914 -0.103 0.000 2.725 261 V HA 0.106 4.225 4.120 -0.000 0.000 0.247 261 V C 2.136 178.163 176.094 -0.111 0.000 1.058 261 V CA 1.497 63.736 62.300 -0.101 0.000 1.080 261 V CB -0.273 31.527 31.823 -0.038 0.000 0.713 261 V HN 0.590 nan 8.190 nan 0.000 0.465 262 G N 0.988 109.770 108.800 -0.031 0.000 2.433 262 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.216 262 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.216 262 G C 1.871 176.567 174.900 -0.340 0.000 1.186 262 G CA 1.383 46.376 45.100 -0.179 0.000 0.779 262 G HN 0.612 nan 8.290 nan 0.000 0.543 263 S N 1.432 116.882 115.700 -0.417 0.000 2.387 263 S HA -0.022 4.448 4.470 -0.000 0.000 0.230 263 S C 2.494 176.783 174.600 -0.520 0.000 1.035 263 S CA 1.580 59.293 58.200 -0.813 0.000 1.014 263 S CB -0.557 62.192 63.200 -0.752 0.000 0.836 263 S HN 0.658 nan 8.310 nan 0.000 0.466 264 A N 0.886 123.497 122.820 -0.349 0.000 2.168 264 A HA 0.270 4.590 4.320 -0.000 0.000 0.215 264 A C 2.014 179.454 177.584 -0.240 0.000 1.152 264 A CA 0.899 52.786 52.037 -0.250 0.000 0.716 264 A CB -0.470 18.406 19.000 -0.207 0.000 0.794 264 A HN 0.497 nan 8.150 nan 0.000 0.465 265 M N -0.881 118.545 119.600 -0.291 0.000 2.441 265 M HA 0.074 4.554 4.480 -0.000 0.000 0.244 265 M C 1.732 177.833 176.300 -0.331 0.000 1.122 265 M CA 0.560 55.697 55.300 -0.272 0.000 1.041 265 M CB -0.286 32.156 32.600 -0.262 0.000 1.438 265 M HN 0.217 nan 8.290 nan 0.000 0.484 266 V N 0.870 120.550 119.914 -0.390 0.000 2.307 266 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 266 V C 1.002 176.815 176.094 -0.468 0.000 1.045 266 V CA 1.231 63.285 62.300 -0.410 0.000 1.024 266 V CB -0.701 30.856 31.823 -0.443 0.000 0.651 266 V HN 0.451 nan 8.190 nan 0.000 0.449 267 N N 0.863 119.251 118.700 -0.520 0.000 2.437 267 N HA 0.404 5.144 4.740 -0.000 0.000 0.243 267 N C -0.118 175.257 175.510 -0.226 0.000 1.041 267 N CA 0.105 52.871 53.050 -0.473 0.000 0.940 267 N CB 0.986 39.157 38.487 -0.526 0.000 1.133 267 N HN 0.359 nan 8.380 nan 0.000 0.506 268 A N 4.074 126.810 122.820 -0.140 0.000 2.526 268 A HA -0.022 4.298 4.320 -0.000 0.000 0.287 268 A C 0.649 178.219 177.584 -0.023 0.000 1.232 268 A CA 0.044 52.044 52.037 -0.062 0.000 0.900 268 A CB -0.487 18.505 19.000 -0.012 0.000 1.077 268 A HN 0.741 nan 8.150 nan 0.000 0.535 269 K N 3.780 124.161 120.400 -0.032 0.000 2.155 269 K HA 0.122 4.442 4.320 -0.000 0.000 0.240 269 K C -0.798 175.804 176.600 0.003 0.000 1.193 269 K CA -0.216 56.060 56.287 -0.018 0.000 1.104 269 K CB -0.496 31.992 32.500 -0.021 0.000 1.558 269 K HN 0.766 nan 8.250 nan 0.000 0.313 270 D N 3.648 124.061 120.400 0.021 0.000 4.478 270 D HA -0.192 4.448 4.640 -0.000 0.000 0.238 270 D C 0.014 176.334 176.300 0.034 0.000 1.056 270 D CA 1.110 55.130 54.000 0.033 0.000 1.245 270 D CB -0.630 40.185 40.800 0.026 0.000 0.794 270 D HN 0.777 nan 8.370 nan 0.000 0.394 271 D N -0.827 119.601 120.400 0.047 0.000 3.164 271 D HA -0.188 4.451 4.640 -0.000 0.000 0.194 271 D C 0.067 176.404 176.300 0.061 0.000 1.437 271 D CA 1.932 55.965 54.000 0.055 0.000 2.125 271 D CB -0.493 40.335 40.800 0.046 0.000 1.321 271 D HN 0.538 nan 8.370 nan 0.000 0.465 272 E N 1.008 121.229 120.200 0.035 0.000 2.167 272 E HA 0.577 4.927 4.350 -0.000 0.000 0.284 272 E C 0.756 177.350 176.600 -0.010 0.000 1.016 272 E CA 0.732 57.148 56.400 0.026 0.000 0.817 272 E CB 0.954 30.657 29.700 0.005 0.000 1.080 272 E HN 0.512 nan 8.360 nan 0.000 0.397 273 G N 0.625 109.412 108.800 -0.022 0.000 2.326 273 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.413 273 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.413 273 G C 0.362 175.083 174.900 -0.298 0.000 1.444 273 G CA -0.476 44.532 45.100 -0.154 0.000 1.002 273 G HN 0.215 nan 8.290 nan 0.000 0.649 274 V N 0.042 119.657 119.914 -0.500 0.000 2.302 274 V HA 0.243 4.363 4.120 -0.000 0.000 0.243 274 V C 1.388 177.313 176.094 -0.280 0.000 1.036 274 V CA 1.480 63.365 62.300 -0.691 0.000 1.020 274 V CB -0.621 30.855 31.823 -0.578 0.000 0.657 274 V HN 0.533 nan 8.190 nan 0.000 0.453 275 L N -0.268 120.857 121.223 -0.162 0.000 2.342 275 L HA 0.614 4.954 4.340 -0.000 0.000 0.271 275 L C -0.888 176.027 176.870 0.075 0.000 1.008 275 L CA -0.509 54.334 54.840 0.005 0.000 0.818 275 L CB 2.391 44.537 42.059 0.146 0.000 1.296 275 L HN 0.016 nan 8.230 nan 0.000 0.427 276 V N 1.928 121.932 119.914 0.150 0.000 2.334 276 V HA 0.705 4.825 4.120 -0.000 0.000 0.281 276 V C 0.239 176.553 176.094 0.366 0.000 1.016 276 V CA -0.219 62.213 62.300 0.219 0.000 0.832 276 V CB 1.155 33.089 31.823 0.186 0.000 0.999 276 V HN 0.745 nan 8.190 nan 0.000 0.439 277 G N 4.423 113.481 108.800 0.429 0.000 2.432 277 G HA2 0.503 4.462 3.960 -0.000 0.000 0.257 277 G HA3 0.503 4.462 3.960 -0.000 0.000 0.257 277 G C -0.350 174.726 174.900 0.294 0.000 1.238 277 G CA 0.092 45.397 45.100 0.341 0.000 0.838 277 G HN 1.228 nan 8.290 nan 0.000 0.547 278 S N 0.939 116.650 115.700 0.019 0.000 2.546 278 S HA 0.521 4.990 4.470 -0.000 0.000 0.272 278 S C -0.584 174.067 174.600 0.085 0.000 1.140 278 S CA -0.795 57.459 58.200 0.090 0.000 0.920 278 S CB 0.951 63.981 63.200 -0.284 0.000 1.083 278 S HN 0.681 nan 8.310 nan 0.000 0.476 279 W N 2.555 123.911 121.300 0.093 0.000 2.499 279 W HA 0.146 4.806 4.660 -0.000 0.000 0.362 279 W C 0.492 177.021 176.519 0.017 0.000 0.945 279 W CA -0.146 57.261 57.345 0.103 0.000 1.721 279 W CB 0.523 29.905 29.460 -0.130 0.000 1.156 279 W HN 0.877 nan 8.180 nan 0.000 0.547 280 D N -0.795 119.654 120.400 0.081 0.000 2.363 280 D HA -0.137 4.503 4.640 -0.000 0.000 0.226 280 D C 0.965 177.172 176.300 -0.155 0.000 1.020 280 D CA 0.579 54.534 54.000 -0.075 0.000 0.892 280 D CB -0.302 40.411 40.800 -0.144 0.000 0.900 280 D HN 0.119 nan 8.370 nan 0.000 0.531 281 N N -1.672 116.802 118.700 -0.377 0.000 2.929 281 N HA -0.252 4.488 4.740 -0.000 0.000 0.234 281 N C 0.303 175.430 175.510 -0.638 0.000 0.908 281 N CA 1.510 54.352 53.050 -0.347 0.000 0.993 281 N CB -1.345 37.156 38.487 0.022 0.000 1.075 281 N HN 0.374 nan 8.380 nan 0.000 0.603 282 I N -1.489 118.583 120.570 -0.831 0.000 2.729 282 I HA 0.127 4.297 4.170 -0.000 0.000 0.256 282 I C 0.252 176.098 176.117 -0.452 0.000 1.115 282 I CA 0.380 61.384 61.300 -0.493 0.000 1.446 282 I CB -0.179 37.649 38.000 -0.288 0.000 1.176 282 I HN 0.142 nan 8.210 nan 0.000 0.446 283 Y N 1.081 121.295 120.300 -0.144 0.000 3.037 283 Y HA -0.272 4.278 4.550 -0.000 0.000 0.204 283 Y C 1.660 177.525 175.900 -0.058 0.000 1.275 283 Y CA -0.128 57.868 58.100 -0.173 0.000 1.066 283 Y CB -2.291 36.125 38.460 -0.072 0.000 1.305 283 Y HN 0.243 nan 8.280 nan 0.000 0.499 284 A N -0.576 122.170 122.820 -0.124 0.000 1.841 284 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 284 A C 0.965 178.331 177.584 -0.363 0.000 1.199 284 A CA 1.769 53.580 52.037 -0.378 0.000 0.621 284 A CB -0.498 18.078 19.000 -0.706 0.000 0.835 284 A HN 0.443 nan 8.150 nan 0.000 0.445 285 Y N 0.052 120.525 120.300 0.289 0.000 2.880 285 Y HA 0.498 5.048 4.550 -0.000 0.000 0.386 285 Y C 1.018 177.047 175.900 0.216 0.000 1.172 285 Y CA -0.364 57.880 58.100 0.241 0.000 1.770 285 Y CB -0.251 38.310 38.460 0.169 0.000 1.809 285 Y HN 0.481 nan 8.280 nan 0.000 0.472 286 G N -1.250 107.764 108.800 0.356 0.000 2.393 286 G HA2 0.399 4.359 3.960 -0.000 0.000 0.264 286 G HA3 0.399 4.359 3.960 -0.000 0.000 0.264 286 G C -1.940 173.020 174.900 0.099 0.000 1.221 286 G CA -0.678 44.468 45.100 0.078 0.000 0.912 286 G HN -0.135 nan 8.290 nan 0.000 0.483 287 V N 2.986 122.898 119.914 -0.003 0.000 2.417 287 V HA 0.510 4.630 4.120 -0.000 0.000 0.291 287 V C -2.007 173.968 176.094 -0.200 0.000 1.024 287 V CA -1.403 60.761 62.300 -0.227 0.000 0.861 287 V CB 1.803 33.245 31.823 -0.635 0.000 0.985 287 V HN 0.555 nan 8.190 nan 0.000 0.436 288 P HA 0.160 nan 4.420 nan 0.000 0.267 288 P C -2.375 174.646 177.300 -0.465 0.000 1.205 288 P CA -1.477 61.373 63.100 -0.417 0.000 0.765 288 P CB 0.450 32.064 31.700 -0.144 0.000 0.828 289 P HA -0.119 nan 4.420 nan 0.000 0.224 289 P C 1.027 178.466 177.300 0.232 0.000 1.142 289 P CA 1.529 64.548 63.100 -0.135 0.000 0.778 289 P CB -0.107 31.349 31.700 -0.407 0.000 0.764 290 S N -1.788 114.015 115.700 0.173 0.000 2.517 290 S HA 0.209 4.679 4.470 -0.000 0.000 0.214 290 S C 1.810 176.477 174.600 0.112 0.000 0.991 290 S CA 0.424 58.827 58.200 0.337 0.000 0.906 290 S CB -0.209 63.235 63.200 0.408 0.000 0.789 290 S HN 0.138 nan 8.310 nan 0.000 0.513 291 A N 1.150 123.868 122.820 -0.170 0.000 1.898 291 A HA 0.077 4.397 4.320 -0.000 0.000 0.214 291 A C 0.462 177.783 177.584 -0.438 0.000 1.183 291 A CA -0.006 51.759 52.037 -0.453 0.000 0.622 291 A CB -0.744 17.846 19.000 -0.683 0.000 0.824 291 A HN 0.574 nan 8.150 nan 0.000 0.444 292 W N 0.908 122.145 121.300 -0.105 0.000 2.480 292 W HA 0.057 4.716 4.660 -0.000 0.000 0.337 292 W C 1.372 177.792 176.519 -0.166 0.000 1.201 292 W CA 0.547 57.842 57.345 -0.083 0.000 1.309 292 W CB 0.324 29.862 29.460 0.130 0.000 1.168 292 W HN 0.357 nan 8.180 nan 0.000 0.566 293 T N 0.227 114.744 114.554 -0.063 0.000 2.990 293 T HA 0.484 4.834 4.350 -0.000 0.000 0.249 293 T C 0.680 174.855 174.700 -0.875 0.000 1.039 293 T CA 0.367 62.294 62.100 -0.289 0.000 1.036 293 T CB 0.480 69.294 68.868 -0.090 0.000 0.994 293 T HN 0.682 nan 8.240 nan 0.000 0.489 294 G N 0.276 108.311 108.800 -1.276 0.000 2.427 294 G HA2 0.425 4.385 3.960 -0.000 0.000 0.306 294 G HA3 0.425 4.385 3.960 -0.000 0.000 0.306 294 G C 0.052 174.384 174.900 -0.947 0.000 1.280 294 G CA 0.012 43.997 45.100 -1.858 0.000 0.837 294 G HN -0.077 nan 8.290 nan 0.000 0.482 295 S N -0.830 114.683 115.700 -0.311 0.000 2.425 295 S HA 0.006 4.476 4.470 -0.000 0.000 0.225 295 S C 2.539 177.115 174.600 -0.041 0.000 1.024 295 S CA 1.067 59.293 58.200 0.043 0.000 0.951 295 S CB 0.022 63.390 63.200 0.280 0.000 0.796 295 S HN 0.494 nan 8.310 nan 0.000 0.498 296 V N 2.821 122.706 119.914 -0.047 0.000 2.278 296 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 296 V C 2.430 178.518 176.094 -0.010 0.000 1.062 296 V CA 2.214 64.512 62.300 -0.003 0.000 1.038 296 V CB -0.698 31.133 31.823 0.014 0.000 0.646 296 V HN 0.399 nan 8.190 nan 0.000 0.447 297 D N -0.242 120.138 120.400 -0.034 0.000 2.104 297 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 297 D C 1.976 178.225 176.300 -0.084 0.000 0.994 297 D CA 1.539 55.547 54.000 0.015 0.000 0.830 297 D CB -0.153 40.735 40.800 0.147 0.000 0.959 297 D HN 0.467 nan 8.370 nan 0.000 0.452 298 I N 0.035 120.423 120.570 -0.302 0.000 2.163 298 I HA -0.230 3.940 4.170 -0.000 0.000 0.240 298 I C 2.549 178.619 176.117 -0.079 0.000 1.081 298 I CA 0.576 61.646 61.300 -0.384 0.000 1.353 298 I CB -0.198 37.442 38.000 -0.600 0.000 1.054 298 I HN 0.005 nan 8.210 nan 0.000 0.407 299 L N 0.187 121.408 121.223 -0.003 0.000 2.079 299 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 299 L C 2.523 179.479 176.870 0.143 0.000 1.081 299 L CA 1.334 56.254 54.840 0.133 0.000 0.752 299 L CB -0.531 41.614 42.059 0.143 0.000 0.896 299 L HN 0.297 nan 8.230 nan 0.000 0.433 300 L N -0.843 120.421 121.223 0.070 0.000 2.056 300 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 300 L C 2.613 179.504 176.870 0.036 0.000 1.078 300 L CA 1.159 56.025 54.840 0.043 0.000 0.749 300 L CB -0.530 41.548 42.059 0.032 0.000 0.901 300 L HN 0.298 nan 8.230 nan 0.000 0.433 301 E N -0.462 119.772 120.200 0.057 0.000 2.110 301 E HA -0.268 4.081 4.350 -0.000 0.000 0.193 301 E C 2.039 178.693 176.600 0.090 0.000 0.988 301 E CA 1.448 57.889 56.400 0.069 0.000 0.804 301 E CB -0.087 29.670 29.700 0.095 0.000 0.745 301 E HN 0.436 nan 8.360 nan 0.000 0.458 302 Y N 1.501 121.804 120.300 0.004 0.000 2.163 302 Y HA -0.181 4.369 4.550 -0.000 0.000 0.288 302 Y C 2.365 178.289 175.900 0.041 0.000 1.136 302 Y CA 1.898 60.021 58.100 0.038 0.000 1.147 302 Y CB -0.222 38.273 38.460 0.059 0.000 0.987 302 Y HN -0.157 nan 8.280 nan 0.000 0.509 303 R N -0.184 120.134 120.500 -0.302 0.000 2.075 303 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 303 R C 2.195 178.242 176.300 -0.422 0.000 1.126 303 R CA 1.632 57.378 56.100 -0.591 0.000 0.963 303 R CB -0.272 29.705 30.300 -0.539 0.000 0.858 303 R HN 0.419 nan 8.270 nan 0.000 0.435 304 S N 0.476 116.042 115.700 -0.223 0.000 2.356 304 S HA -0.160 4.310 4.470 -0.000 0.000 0.223 304 S C 2.062 176.591 174.600 -0.118 0.000 1.032 304 S CA 1.616 59.728 58.200 -0.147 0.000 1.005 304 S CB -0.308 62.846 63.200 -0.076 0.000 0.867 304 S HN 0.574 nan 8.310 nan 0.000 0.449 305 S N 0.999 116.647 115.700 -0.087 0.000 2.414 305 S HA 0.023 4.493 4.470 -0.000 0.000 0.227 305 S C 0.581 175.146 174.600 -0.057 0.000 1.022 305 S CA 0.726 58.900 58.200 -0.044 0.000 0.958 305 S CB -0.497 62.708 63.200 0.008 0.000 0.797 305 S HN 0.552 nan 8.310 nan 0.000 0.493 306 E N 0.745 120.857 120.200 -0.146 0.000 2.868 306 E HA -0.130 4.219 4.350 -0.000 0.000 0.278 306 E C -0.927 175.689 176.600 0.026 0.000 1.009 306 E CA 0.463 56.790 56.400 -0.122 0.000 0.856 306 E CB -1.803 27.887 29.700 -0.017 0.000 1.428 306 E HN 0.620 nan 8.360 nan 0.000 0.423 307 N N 0.271 119.032 118.700 0.103 0.000 2.277 307 N HA 0.264 5.004 4.740 -0.000 0.000 0.286 307 N C -2.817 172.865 175.510 0.288 0.000 1.140 307 N CA -1.544 51.619 53.050 0.187 0.000 0.799 307 N CB 2.066 40.613 38.487 0.101 0.000 1.596 307 N HN -0.210 nan 8.380 nan 0.000 0.473 308 P HA -0.056 nan 4.420 nan 0.000 0.261 308 P C -0.098 177.261 177.300 0.098 0.000 1.173 308 P CA 0.136 63.312 63.100 0.127 0.000 0.760 308 P CB 0.541 32.283 31.700 0.069 0.000 0.783 309 V N 5.951 125.910 119.914 0.076 0.000 2.555 309 V HA 0.075 4.195 4.120 -0.000 0.000 0.286 309 V C 1.466 177.566 176.094 0.010 0.000 1.044 309 V CA -0.136 62.200 62.300 0.061 0.000 1.026 309 V CB -0.042 31.802 31.823 0.035 0.000 0.981 309 V HN 0.452 nan 8.190 nan 0.000 0.480 310 R N 4.941 125.396 120.500 -0.076 0.000 2.357 310 R HA 0.289 4.628 4.340 -0.000 0.000 0.330 310 R C -1.352 174.750 176.300 -0.329 0.000 1.102 310 R CA -0.001 55.819 56.100 -0.466 0.000 0.974 310 R CB -0.308 29.501 30.300 -0.820 0.000 1.002 310 R HN 0.679 nan 8.270 nan 0.000 0.463 311 Y N -1.349 119.055 120.300 0.173 0.000 2.605 311 Y HA -0.165 4.385 4.550 -0.000 0.000 0.025 311 Y C 0.356 176.295 175.900 0.065 0.000 1.812 311 Y CA 0.312 58.455 58.100 0.070 0.000 1.350 311 Y CB -1.627 36.813 38.460 -0.034 0.000 2.002 311 Y HN 0.808 nan 8.280 nan 0.000 0.268 312 G N 1.784 110.584 108.800 -0.000 0.000 2.695 312 G HA2 0.752 4.712 3.960 -0.000 0.000 0.290 312 G HA3 0.752 4.712 3.960 -0.000 0.000 0.290 312 G C -1.260 173.017 174.900 -1.037 0.000 1.410 312 G CA -0.969 43.899 45.100 -0.387 0.000 0.844 312 G HN 0.513 nan 8.290 nan 0.000 0.478 313 Q N -1.446 117.429 119.800 -1.542 0.000 3.022 313 Q HA 0.315 4.655 4.340 -0.000 0.000 0.313 313 Q C 1.833 176.878 176.000 -1.590 0.000 1.018 313 Q CA -0.370 54.388 55.803 -1.742 0.000 0.799 313 Q CB 1.827 29.678 28.738 -1.479 0.000 1.498 313 Q HN 0.854 nan 8.270 nan 0.000 0.494 314 C N -0.344 118.636 119.300 -0.534 0.000 2.388 314 C HA -0.149 4.311 4.460 -0.000 0.000 0.277 314 C C 2.232 177.087 174.990 -0.225 0.000 1.210 314 C CA 1.522 60.486 59.018 -0.089 0.000 1.743 314 C CB -1.691 26.387 27.740 0.563 0.000 2.047 314 C HN 1.003 nan 8.230 nan 0.000 0.458 315 W N 2.102 123.332 121.300 -0.116 0.000 2.350 315 W HA 0.049 4.709 4.660 -0.000 0.000 0.289 315 W C 1.828 178.073 176.519 -0.457 0.000 1.215 315 W CA 1.431 58.627 57.345 -0.249 0.000 1.236 315 W CB -1.212 28.090 29.460 -0.264 0.000 1.130 315 W HN 0.226 nan 8.180 nan 0.000 0.541 316 V N 1.185 120.355 119.914 -1.239 0.000 2.358 316 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 316 V C 2.369 178.243 176.094 -0.366 0.000 1.047 316 V CA 1.730 63.509 62.300 -0.867 0.000 1.035 316 V CB -1.157 30.213 31.823 -0.755 0.000 0.658 316 V HN 0.067 nan 8.190 nan 0.000 0.452 317 F N 1.213 120.961 119.950 -0.336 0.000 2.095 317 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 317 F C 2.517 178.263 175.800 -0.090 0.000 1.104 317 F CA 1.086 58.983 58.000 -0.171 0.000 1.232 317 F CB -1.563 37.371 39.000 -0.111 0.000 0.987 317 F HN 0.138 nan 8.300 nan 0.000 0.475 318 A N 0.139 123.010 122.820 0.085 0.000 1.933 318 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 318 A C 2.611 180.197 177.584 0.005 0.000 1.175 318 A CA 1.748 53.831 52.037 0.077 0.000 0.628 318 A CB -1.486 17.520 19.000 0.010 0.000 0.814 318 A HN 0.398 nan 8.150 nan 0.000 0.444 319 G N -0.550 108.107 108.800 -0.239 0.000 2.434 319 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.214 319 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.214 319 G C 1.527 176.559 174.900 0.221 0.000 1.202 319 G CA 1.150 46.082 45.100 -0.280 0.000 0.788 319 G HN 0.281 nan 8.290 nan 0.000 0.539 320 V N 0.395 120.444 119.914 0.224 0.000 2.332 320 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 320 V C 2.384 178.633 176.094 0.258 0.000 1.055 320 V CA 1.912 64.365 62.300 0.256 0.000 1.038 320 V CB -0.557 31.356 31.823 0.151 0.000 0.651 320 V HN 0.372 nan 8.190 nan 0.000 0.450 321 F N 0.856 120.842 119.950 0.061 0.000 2.407 321 F HA -0.068 4.459 4.527 -0.000 0.000 0.299 321 F C 2.104 177.970 175.800 0.109 0.000 1.097 321 F CA 1.421 59.458 58.000 0.062 0.000 1.422 321 F CB -0.509 38.487 39.000 -0.006 0.000 1.067 321 F HN 0.180 nan 8.300 nan 0.000 0.539 322 N N -0.611 118.069 118.700 -0.034 0.000 2.109 322 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 322 N C 1.625 176.977 175.510 -0.263 0.000 1.034 322 N CA 1.849 54.741 53.050 -0.263 0.000 0.846 322 N CB -0.091 38.161 38.487 -0.393 0.000 1.010 322 N HN 0.233 nan 8.380 nan 0.000 0.425 323 T N 1.135 115.642 114.554 -0.078 0.000 2.597 323 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 323 T C 1.588 176.277 174.700 -0.019 0.000 1.053 323 T CA 1.533 63.628 62.100 -0.008 0.000 1.165 323 T CB -0.797 68.161 68.868 0.152 0.000 0.863 323 T HN 0.279 nan 8.240 nan 0.000 0.427 324 F N 1.599 121.501 119.950 -0.081 0.000 2.085 324 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 324 F C 2.013 177.724 175.800 -0.149 0.000 1.096 324 F CA 1.434 59.393 58.000 -0.069 0.000 1.227 324 F CB -0.501 38.485 39.000 -0.024 0.000 0.983 324 F HN 0.088 nan 8.300 nan 0.000 0.482 325 L N -0.301 120.791 121.223 -0.217 0.000 1.973 325 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 325 L C 2.707 179.463 176.870 -0.189 0.000 1.073 325 L CA 1.708 56.381 54.840 -0.279 0.000 0.746 325 L CB -0.848 40.993 42.059 -0.362 0.000 0.891 325 L HN 0.008 nan 8.230 nan 0.000 0.433 326 R N -0.647 119.750 120.500 -0.173 0.000 2.103 326 R HA -0.252 4.088 4.340 -0.000 0.000 0.242 326 R C 2.426 178.683 176.300 -0.072 0.000 1.142 326 R CA 1.851 57.886 56.100 -0.109 0.000 0.960 326 R CB -0.963 29.232 30.300 -0.175 0.000 0.858 326 R HN 0.505 nan 8.270 nan 0.000 0.439 327 C N 0.440 119.667 119.300 -0.121 0.000 2.419 327 C HA -0.025 4.435 4.460 -0.000 0.000 0.281 327 C C 2.144 177.178 174.990 0.074 0.000 1.336 327 C CA 0.456 59.453 59.018 -0.034 0.000 1.770 327 C CB -0.776 26.936 27.740 -0.047 0.000 1.929 327 C HN 0.349 nan 8.230 nan 0.000 0.509 328 L N 0.463 121.670 121.223 -0.026 0.000 2.477 328 L HA 0.329 4.669 4.340 -0.000 0.000 0.220 328 L C 2.034 179.057 176.870 0.255 0.000 1.106 328 L CA 1.794 56.669 54.840 0.058 0.000 0.851 328 L CB -0.402 41.630 42.059 -0.045 0.000 0.994 328 L HN 0.549 nan 8.230 nan 0.000 0.462 329 G N -0.671 108.259 108.800 0.217 0.000 2.168 329 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.197 329 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.197 329 G C 0.314 175.324 174.900 0.184 0.000 0.997 329 G CA -0.161 45.117 45.100 0.296 0.000 0.658 329 G HN 0.191 nan 8.290 nan 0.000 0.513 330 I N 2.397 122.974 120.570 0.012 0.000 2.304 330 I HA 0.297 4.466 4.170 -0.000 0.000 0.291 330 I C -2.006 174.084 176.117 -0.046 0.000 1.018 330 I CA -2.379 58.841 61.300 -0.133 0.000 1.260 330 I CB 1.452 39.277 38.000 -0.292 0.000 1.390 330 I HN -0.154 nan 8.210 nan 0.000 0.475 331 P HA 0.091 nan 4.420 nan 0.000 0.262 331 P C -0.832 176.560 177.300 0.152 0.000 1.182 331 P CA 0.130 63.267 63.100 0.062 0.000 0.761 331 P CB 0.622 32.305 31.700 -0.028 0.000 0.795 332 A N 3.558 126.487 122.820 0.180 0.000 2.549 332 A HA 0.813 5.133 4.320 -0.000 0.000 0.297 332 A C -0.797 176.816 177.584 0.048 0.000 1.061 332 A CA -0.724 51.404 52.037 0.152 0.000 0.690 332 A CB 1.729 20.702 19.000 -0.046 0.000 1.287 332 A HN 0.649 nan 8.150 nan 0.000 0.402 333 R N 1.041 121.497 120.500 -0.075 0.000 2.707 333 R HA 0.780 5.119 4.340 -0.000 0.000 0.272 333 R C -1.711 174.522 176.300 -0.111 0.000 1.011 333 R CA -0.785 55.240 56.100 -0.125 0.000 0.893 333 R CB 1.210 31.337 30.300 -0.290 0.000 1.233 333 R HN 0.505 nan 8.270 nan 0.000 0.464 334 I N 2.175 122.722 120.570 -0.039 0.000 2.385 334 I HA 0.334 4.503 4.170 -0.000 0.000 0.294 334 I C -0.446 175.600 176.117 -0.118 0.000 0.988 334 I CA -1.188 60.086 61.300 -0.043 0.000 1.265 334 I CB 1.945 39.955 38.000 0.017 0.000 1.388 334 I HN 0.301 nan 8.210 nan 0.000 0.480 335 V N 4.927 124.689 119.914 -0.252 0.000 2.495 335 V HA 0.370 4.490 4.120 -0.000 0.000 0.298 335 V C -0.029 175.710 176.094 -0.591 0.000 1.031 335 V CA -0.450 61.582 62.300 -0.446 0.000 0.871 335 V CB 2.100 33.543 31.823 -0.634 0.000 0.988 335 V HN 0.718 nan 8.190 nan 0.000 0.432 336 T N 4.039 118.287 114.554 -0.511 0.000 2.794 336 T HA 0.362 4.712 4.350 -0.000 0.000 0.280 336 T C -0.306 173.971 174.700 -0.705 0.000 0.987 336 T CA -0.367 61.414 62.100 -0.531 0.000 0.993 336 T CB 0.957 69.572 68.868 -0.421 0.000 0.939 336 T HN 0.670 nan 8.240 nan 0.000 0.449 337 N N 1.666 119.942 118.700 -0.707 0.000 2.399 337 N HA 0.324 5.064 4.740 -0.000 0.000 0.295 337 N C -0.062 175.189 175.510 -0.431 0.000 1.048 337 N CA -0.512 52.202 53.050 -0.561 0.000 0.886 337 N CB 0.687 38.892 38.487 -0.470 0.000 1.185 337 N HN 0.429 nan 8.380 nan 0.000 0.487 338 Y N 2.045 122.274 120.300 -0.118 0.000 2.228 338 Y HA 0.221 4.771 4.550 -0.000 0.000 0.267 338 Y C 0.437 176.229 175.900 -0.179 0.000 1.072 338 Y CA 1.210 59.212 58.100 -0.165 0.000 1.068 338 Y CB -0.215 38.085 38.460 -0.266 0.000 1.015 338 Y HN 0.462 nan 8.280 nan 0.000 0.474 339 F N 0.827 120.852 119.950 0.125 0.000 2.423 339 F HA 0.256 4.783 4.527 -0.000 0.000 0.356 339 F C 0.357 176.206 175.800 0.082 0.000 1.170 339 F CA -0.403 57.620 58.000 0.038 0.000 1.163 339 F CB 0.498 39.320 39.000 -0.296 0.000 1.318 339 F HN -0.226 nan 8.300 nan 0.000 0.569 340 S N 2.693 118.572 115.700 0.299 0.000 2.438 340 S HA 0.642 5.112 4.470 -0.000 0.000 0.293 340 S C 0.218 174.905 174.600 0.146 0.000 1.141 340 S CA -0.698 57.629 58.200 0.211 0.000 1.080 340 S CB 0.529 63.854 63.200 0.208 0.000 0.978 340 S HN 0.634 nan 8.310 nan 0.000 0.479 341 A N 4.556 127.428 122.820 0.086 0.000 3.078 341 A HA 0.310 4.630 4.320 -0.000 0.000 0.279 341 A C 0.022 177.557 177.584 -0.081 0.000 1.594 341 A CA -0.245 51.814 52.037 0.037 0.000 1.301 341 A CB -0.617 18.409 19.000 0.043 0.000 1.162 341 A HN 0.938 nan 8.150 nan 0.000 0.585 342 H N 0.622 119.452 119.070 -0.400 0.000 2.603 342 H HA 0.188 4.744 4.556 -0.000 0.000 0.370 342 H C 0.532 175.699 175.328 -0.268 0.000 1.225 342 H CA 0.568 56.252 56.048 -0.607 0.000 1.410 342 H CB 0.507 29.320 29.762 -1.582 0.000 1.495 342 H HN 0.652 nan 8.280 nan 0.000 0.602 343 D N 0.549 120.441 120.400 -0.846 0.000 2.811 343 D HA -0.248 4.392 4.640 -0.000 0.000 0.231 343 D C -0.568 175.625 176.300 -0.179 0.000 1.157 343 D CA 0.968 54.715 54.000 -0.421 0.000 0.716 343 D CB -1.136 39.556 40.800 -0.181 0.000 1.077 343 D HN 0.764 nan 8.370 nan 0.000 0.428 344 N N 0.115 118.728 118.700 -0.146 0.000 2.327 344 N HA 0.248 4.987 4.740 -0.000 0.000 0.257 344 N C 0.093 175.618 175.510 0.025 0.000 1.281 344 N CA -0.330 52.694 53.050 -0.043 0.000 0.942 344 N CB 0.614 39.080 38.487 -0.035 0.000 1.199 344 N HN -0.173 nan 8.380 nan 0.000 0.532 345 D N -1.738 118.687 120.400 0.041 0.000 2.957 345 D HA 0.302 4.942 4.640 -0.000 0.000 0.352 345 D C -0.103 176.209 176.300 0.020 0.000 1.352 345 D CA 0.137 54.211 54.000 0.124 0.000 0.831 345 D CB -0.555 40.290 40.800 0.074 0.000 1.147 345 D HN 0.781 nan 8.370 nan 0.000 0.467 346 A N 0.687 123.429 122.820 -0.130 0.000 3.172 346 A HA -0.299 4.021 4.320 -0.000 0.000 0.263 346 A C 0.466 177.962 177.584 -0.147 0.000 1.215 346 A CA 0.761 52.587 52.037 -0.352 0.000 1.065 346 A CB -2.506 16.155 19.000 -0.564 0.000 1.148 346 A HN 0.443 nan 8.150 nan 0.000 0.904 347 N N -0.328 118.332 118.700 -0.067 0.000 2.470 347 N HA 0.527 5.267 4.740 -0.000 0.000 0.268 347 N C 0.645 176.149 175.510 -0.010 0.000 1.136 347 N CA 0.005 53.036 53.050 -0.033 0.000 0.961 347 N CB 0.351 38.827 38.487 -0.018 0.000 1.067 347 N HN 0.372 nan 8.380 nan 0.000 0.468 348 L N 2.246 123.472 121.223 0.005 0.000 2.783 348 L HA 0.229 4.569 4.340 -0.000 0.000 0.236 348 L C -0.067 176.813 176.870 0.016 0.000 1.225 348 L CA 0.201 55.062 54.840 0.036 0.000 1.026 348 L CB -0.420 41.682 42.059 0.072 0.000 1.314 348 L HN 0.474 nan 8.230 nan 0.000 0.489 349 Q N 0.735 120.531 119.800 -0.007 0.000 2.345 349 Q HA 0.525 4.864 4.340 -0.000 0.000 0.275 349 Q C -1.267 174.703 176.000 -0.050 0.000 1.063 349 Q CA -0.478 55.307 55.803 -0.029 0.000 0.819 349 Q CB 3.481 32.196 28.738 -0.038 0.000 1.356 349 Q HN 0.062 nan 8.270 nan 0.000 0.418 350 M N 2.008 121.559 119.600 -0.081 0.000 2.190 350 M HA 0.321 4.801 4.480 -0.000 0.000 0.312 350 M C -1.632 174.541 176.300 -0.211 0.000 0.990 350 M CA -0.493 54.745 55.300 -0.104 0.000 0.927 350 M CB 1.355 33.918 32.600 -0.063 0.000 1.571 350 M HN 0.423 nan 8.290 nan 0.000 0.427 351 D N 5.591 125.840 120.400 -0.251 0.000 2.343 351 D HA 0.306 4.946 4.640 -0.000 0.000 0.255 351 D C -0.580 175.387 176.300 -0.555 0.000 1.187 351 D CA 0.402 54.103 54.000 -0.498 0.000 0.875 351 D CB 0.857 41.300 40.800 -0.596 0.000 1.136 351 D HN 0.411 nan 8.370 nan 0.000 0.469 352 I N 3.021 123.186 120.570 -0.675 0.000 2.418 352 I HA 0.266 4.436 4.170 -0.000 0.000 0.287 352 I C -0.491 175.328 176.117 -0.497 0.000 1.008 352 I CA -0.692 60.325 61.300 -0.473 0.000 1.104 352 I CB 0.728 38.419 38.000 -0.515 0.000 1.264 352 I HN 0.092 nan 8.210 nan 0.000 0.438 353 F N 6.086 125.962 119.950 -0.123 0.000 2.361 353 F HA 0.417 4.944 4.527 -0.000 0.000 0.364 353 F C 0.248 175.967 175.800 -0.134 0.000 1.120 353 F CA -0.600 57.319 58.000 -0.134 0.000 1.102 353 F CB 1.022 39.929 39.000 -0.156 0.000 1.183 353 F HN 0.166 nan 8.300 nan 0.000 0.476 354 L N 2.904 124.170 121.223 0.072 0.000 2.454 354 L HA 0.422 4.762 4.340 -0.000 0.000 0.256 354 L C 0.586 177.439 176.870 -0.027 0.000 1.136 354 L CA -0.659 54.167 54.840 -0.024 0.000 0.804 354 L CB 0.471 42.523 42.059 -0.012 0.000 1.181 354 L HN 0.499 nan 8.230 nan 0.000 0.469 355 E N 0.156 120.298 120.200 -0.097 0.000 2.405 355 E HA 0.240 4.590 4.350 -0.000 0.000 0.249 355 E C 0.459 177.015 176.600 -0.073 0.000 1.028 355 E CA -0.451 55.897 56.400 -0.087 0.000 0.897 355 E CB 0.682 30.295 29.700 -0.144 0.000 1.262 355 E HN 0.435 nan 8.360 nan 0.000 0.442 356 E N 0.534 120.702 120.200 -0.054 0.000 2.158 356 E HA -0.122 4.227 4.350 -0.000 0.000 0.191 356 E C 1.278 177.852 176.600 -0.044 0.000 0.982 356 E CA 0.935 57.316 56.400 -0.031 0.000 0.823 356 E CB 0.141 29.834 29.700 -0.011 0.000 0.766 356 E HN 0.402 nan 8.360 nan 0.000 0.468 357 D N -0.710 119.643 120.400 -0.078 0.000 2.097 357 D HA -0.133 4.507 4.640 -0.000 0.000 0.195 357 D C 1.513 177.727 176.300 -0.143 0.000 0.989 357 D CA 1.516 55.480 54.000 -0.061 0.000 0.827 357 D CB -0.046 40.705 40.800 -0.082 0.000 0.966 357 D HN 0.356 nan 8.370 nan 0.000 0.456 358 G N 0.065 108.650 108.800 -0.359 0.000 2.672 358 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.197 358 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.197 358 G C 0.130 174.642 174.900 -0.646 0.000 0.995 358 G CA -0.390 44.480 45.100 -0.382 0.000 0.754 358 G HN 0.137 nan 8.290 nan 0.000 0.505 359 N N 0.404 118.571 118.700 -0.888 0.000 2.381 359 N HA 0.283 5.023 4.740 -0.000 0.000 0.241 359 N C 0.364 175.645 175.510 -0.382 0.000 1.279 359 N CA 0.219 52.866 53.050 -0.672 0.000 0.896 359 N CB 1.361 39.545 38.487 -0.505 0.000 1.118 359 N HN 0.047 nan 8.380 nan 0.000 0.438 360 V N 2.477 122.183 119.914 -0.346 0.000 2.455 360 V HA 0.035 4.155 4.120 -0.000 0.000 0.273 360 V C 0.591 176.548 176.094 -0.230 0.000 1.045 360 V CA -0.570 61.511 62.300 -0.365 0.000 0.976 360 V CB 0.663 32.085 31.823 -0.668 0.000 0.993 360 V HN 0.558 nan 8.190 nan 0.000 0.475 361 N N 3.480 122.089 118.700 -0.151 0.000 2.499 361 N HA 0.209 4.949 4.740 -0.000 0.000 0.281 361 N C 0.325 175.805 175.510 -0.050 0.000 1.098 361 N CA -0.155 52.844 53.050 -0.086 0.000 0.979 361 N CB 1.641 40.097 38.487 -0.051 0.000 1.121 361 N HN 0.552 nan 8.380 nan 0.000 0.466 362 S N 2.191 117.866 115.700 -0.040 0.000 2.664 362 S HA 0.046 4.516 4.470 -0.000 0.000 0.245 362 S C 1.210 175.801 174.600 -0.016 0.000 1.019 362 S CA -0.607 57.589 58.200 -0.006 0.000 0.996 362 S CB 0.046 63.249 63.200 0.005 0.000 0.878 362 S HN 0.746 nan 8.310 nan 0.000 0.493 363 K N 1.686 122.057 120.400 -0.048 0.000 2.009 363 K HA 0.051 4.371 4.320 -0.000 0.000 0.210 363 K C 0.576 177.131 176.600 -0.076 0.000 1.049 363 K CA 1.014 57.256 56.287 -0.074 0.000 0.929 363 K CB 0.149 32.577 32.500 -0.120 0.000 0.714 363 K HN 0.370 nan 8.250 nan 0.000 0.440 364 L N 0.210 121.376 121.223 -0.095 0.000 2.752 364 L HA 0.231 4.571 4.340 -0.000 0.000 0.257 364 L C -1.768 175.167 176.870 0.108 0.000 0.968 364 L CA -0.181 54.623 54.840 -0.060 0.000 0.953 364 L CB 2.324 44.276 42.059 -0.178 0.000 1.286 364 L HN 0.206 nan 8.230 nan 0.000 0.443 365 T N 3.522 118.189 114.554 0.189 0.000 3.523 365 T HA 0.236 4.586 4.350 -0.000 0.000 0.265 365 T C 0.321 175.104 174.700 0.139 0.000 0.986 365 T CA -0.451 61.805 62.100 0.260 0.000 1.616 365 T CB 0.288 69.261 68.868 0.175 0.000 0.803 365 T HN 0.441 nan 8.240 nan 0.000 0.603 366 K N 0.600 121.073 120.400 0.122 0.000 2.353 366 K HA 0.198 4.518 4.320 -0.000 0.000 0.195 366 K C -0.066 176.562 176.600 0.047 0.000 1.031 366 K CA 0.130 56.456 56.287 0.065 0.000 1.079 366 K CB 0.548 33.073 32.500 0.041 0.000 0.857 366 K HN 0.410 nan 8.250 nan 0.000 0.535 367 D N 1.864 122.299 120.400 0.058 0.000 2.274 367 D HA 0.138 4.778 4.640 -0.000 0.000 0.239 367 D C -0.169 176.159 176.300 0.047 0.000 1.104 367 D CA 0.066 54.090 54.000 0.041 0.000 0.840 367 D CB 1.471 42.285 40.800 0.023 0.000 1.100 367 D HN -0.043 nan 8.370 nan 0.000 0.477 368 S N -0.125 115.608 115.700 0.055 0.000 2.568 368 S HA 0.621 5.091 4.470 -0.000 0.000 0.302 368 S C 0.006 174.690 174.600 0.140 0.000 1.082 368 S CA -1.034 57.197 58.200 0.052 0.000 1.009 368 S CB 2.045 65.239 63.200 -0.010 0.000 1.069 368 S HN 0.287 nan 8.310 nan 0.000 0.500 369 V N -0.204 119.799 119.914 0.149 0.000 2.394 369 V HA 0.584 4.704 4.120 -0.000 0.000 0.282 369 V C -1.034 175.281 176.094 0.368 0.000 1.031 369 V CA -0.903 61.569 62.300 0.286 0.000 0.881 369 V CB -0.230 31.764 31.823 0.285 0.000 0.982 369 V HN 0.878 nan 8.190 nan 0.000 0.451 370 W N 4.713 126.057 121.300 0.073 0.000 2.223 370 W HA 0.352 5.011 4.660 -0.000 0.000 0.334 370 W C 1.431 178.034 176.519 0.141 0.000 1.334 370 W CA -0.133 57.228 57.345 0.027 0.000 1.246 370 W CB -0.457 28.983 29.460 -0.035 0.000 1.184 370 W HN 0.669 nan 8.180 nan 0.000 0.563 371 N N 1.408 120.297 118.700 0.316 0.000 2.137 371 N HA -0.189 4.550 4.740 -0.000 0.000 0.190 371 N C -0.201 175.473 175.510 0.274 0.000 1.017 371 N CA 1.636 54.864 53.050 0.296 0.000 0.859 371 N CB -0.386 38.304 38.487 0.338 0.000 1.002 371 N HN 0.558 nan 8.380 nan 0.000 0.428 372 Y N -3.615 116.881 120.300 0.327 0.000 2.604 372 Y HA 0.608 5.158 4.550 -0.000 0.000 0.331 372 Y C -1.334 174.819 175.900 0.422 0.000 1.158 372 Y CA -1.418 56.748 58.100 0.110 0.000 1.056 372 Y CB 0.760 39.121 38.460 -0.166 0.000 1.330 372 Y HN -0.064 nan 8.280 nan 0.000 0.457 373 H N 0.910 120.108 119.070 0.213 0.000 2.856 373 H HA 0.718 5.274 4.556 -0.000 0.000 0.355 373 H C -1.712 173.675 175.328 0.098 0.000 1.079 373 H CA -1.248 54.937 56.048 0.229 0.000 1.240 373 H CB 1.719 31.523 29.762 0.069 0.000 1.701 373 H HN 1.106 nan 8.280 nan 0.000 0.527 374 C N 5.282 124.476 119.300 -0.176 0.000 2.319 374 C HA 0.624 5.084 4.460 -0.000 0.000 0.335 374 C C -0.751 174.097 174.990 -0.237 0.000 1.274 374 C CA -0.534 58.347 59.018 -0.228 0.000 1.806 374 C CB -1.557 26.186 27.740 0.006 0.000 2.329 374 C HN 0.828 nan 8.230 nan 0.000 0.524 375 W N 2.309 123.474 121.300 -0.226 0.000 3.047 375 W HA 0.690 5.350 4.660 -0.000 0.000 0.341 375 W C -1.158 175.347 176.519 -0.024 0.000 1.225 375 W CA -0.923 56.342 57.345 -0.134 0.000 1.150 375 W CB 0.098 29.485 29.460 -0.121 0.000 1.470 375 W HN 0.491 nan 8.180 nan 0.000 0.578 376 N N 0.493 119.434 118.700 0.402 0.000 2.485 376 N HA 0.526 5.265 4.740 -0.000 0.000 0.280 376 N C -1.379 174.334 175.510 0.339 0.000 1.205 376 N CA -0.878 52.354 53.050 0.302 0.000 0.959 376 N CB 1.287 40.012 38.487 0.397 0.000 1.206 376 N HN 0.495 nan 8.380 nan 0.000 0.545 377 E N -0.194 120.124 120.200 0.196 0.000 2.278 377 E HA 0.600 4.950 4.350 -0.000 0.000 0.272 377 E C -1.519 175.324 176.600 0.405 0.000 0.890 377 E CA -0.789 55.751 56.400 0.234 0.000 0.770 377 E CB 1.881 31.528 29.700 -0.088 0.000 1.212 377 E HN 0.594 nan 8.360 nan 0.000 0.415 378 A N 2.923 126.006 122.820 0.439 0.000 2.330 378 A HA 0.463 4.783 4.320 -0.000 0.000 0.327 378 A C -1.586 176.092 177.584 0.156 0.000 1.155 378 A CA -0.530 51.691 52.037 0.307 0.000 0.803 378 A CB 0.621 19.694 19.000 0.122 0.000 1.208 378 A HN 0.682 nan 8.150 nan 0.000 0.477 379 W N 3.906 125.026 121.300 -0.300 0.000 2.335 379 W HA 0.591 5.251 4.660 -0.000 0.000 0.306 379 W C 0.083 176.375 176.519 -0.378 0.000 1.216 379 W CA 0.325 57.258 57.345 -0.685 0.000 1.237 379 W CB 0.944 29.753 29.460 -1.086 0.000 1.243 379 W HN 0.794 nan 8.180 nan 0.000 0.493 380 M N 2.923 122.111 119.600 -0.686 0.000 2.949 380 M HA 0.463 4.942 4.480 -0.000 0.000 0.270 380 M C -1.241 174.749 176.300 -0.517 0.000 1.221 380 M CA -0.831 54.222 55.300 -0.411 0.000 0.818 380 M CB 1.843 34.301 32.600 -0.236 0.000 1.635 380 M HN 0.042 nan 8.290 nan 0.000 0.492 381 T N 0.480 114.864 114.554 -0.283 0.000 2.918 381 T HA 0.591 4.941 4.350 -0.000 0.000 0.283 381 T C -0.466 174.146 174.700 -0.147 0.000 1.001 381 T CA -0.481 61.485 62.100 -0.223 0.000 1.041 381 T CB 0.617 69.424 68.868 -0.101 0.000 1.028 381 T HN 0.555 nan 8.240 nan 0.000 0.511 382 R N 3.322 123.753 120.500 -0.116 0.000 2.651 382 R HA 0.256 4.595 4.340 -0.000 0.000 0.282 382 R C -2.054 174.215 176.300 -0.050 0.000 1.565 382 R CA -2.167 53.896 56.100 -0.062 0.000 1.661 382 R CB 0.961 31.235 30.300 -0.044 0.000 1.189 382 R HN 0.511 nan 8.270 nan 0.000 0.621 383 P HA -0.051 nan 4.420 nan 0.000 0.242 383 P C -0.000 177.284 177.300 -0.025 0.000 1.197 383 P CA 0.632 63.715 63.100 -0.028 0.000 0.765 383 P CB 0.423 32.119 31.700 -0.007 0.000 0.936 384 D N -0.993 119.391 120.400 -0.026 0.000 2.360 384 D HA 0.055 4.695 4.640 -0.000 0.000 0.210 384 D C 0.786 177.030 176.300 -0.095 0.000 1.047 384 D CA 0.168 54.147 54.000 -0.035 0.000 0.854 384 D CB -0.047 40.752 40.800 -0.002 0.000 0.936 384 D HN 0.234 nan 8.370 nan 0.000 0.514 385 L N -0.483 120.667 121.223 -0.121 0.000 2.283 385 L HA 0.505 4.845 4.340 -0.000 0.000 0.259 385 L C -2.392 174.376 176.870 -0.169 0.000 1.027 385 L CA -2.440 52.267 54.840 -0.222 0.000 0.828 385 L CB 1.535 43.450 42.059 -0.241 0.000 1.380 385 L HN -0.381 nan 8.230 nan 0.000 0.425 386 P HA 0.033 nan 4.420 nan 0.000 0.270 386 P C -0.826 176.327 177.300 -0.245 0.000 1.227 386 P CA -0.337 62.644 63.100 -0.199 0.000 0.788 386 P CB 0.426 31.998 31.700 -0.213 0.000 0.926 387 V N 1.119 120.897 119.914 -0.227 0.000 2.655 387 V HA 0.374 4.494 4.120 -0.000 0.000 0.300 387 V C 1.510 177.368 176.094 -0.393 0.000 1.044 387 V CA 1.493 63.653 62.300 -0.234 0.000 1.095 387 V CB -0.150 31.581 31.823 -0.153 0.000 0.952 387 V HN 1.024 nan 8.190 nan 0.000 0.485 388 G N 3.506 112.062 108.800 -0.406 0.000 2.260 388 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.179 388 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.179 388 G C 0.062 174.563 174.900 -0.666 0.000 1.002 388 G CA -0.194 44.583 45.100 -0.539 0.000 0.677 388 G HN 0.555 nan 8.290 nan 0.000 0.486 389 F N 2.423 122.271 119.950 -0.170 0.000 2.647 389 F HA 0.537 5.064 4.527 -0.000 0.000 0.300 389 F C 1.690 177.358 175.800 -0.219 0.000 1.106 389 F CA -0.559 57.329 58.000 -0.188 0.000 1.313 389 F CB 0.406 39.276 39.000 -0.218 0.000 1.007 389 F HN 0.310 nan 8.300 nan 0.000 0.536 390 G N -0.606 108.102 108.800 -0.153 0.000 2.557 390 G HA2 0.537 4.497 3.960 -0.000 0.000 0.292 390 G HA3 0.537 4.497 3.960 -0.000 0.000 0.292 390 G C 0.450 175.066 174.900 -0.473 0.000 1.237 390 G CA 0.228 45.144 45.100 -0.308 0.000 0.978 390 G HN 0.596 nan 8.290 nan 0.000 0.498 391 G N -1.496 106.715 108.800 -0.981 0.000 2.408 391 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.204 391 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.204 391 G C -0.687 173.448 174.900 -1.274 0.000 1.186 391 G CA -0.396 43.901 45.100 -1.338 0.000 1.139 391 G HN 0.756 nan 8.290 nan 0.000 0.563 392 W N 2.376 123.364 121.300 -0.520 0.000 2.311 392 W HA 0.608 5.268 4.660 -0.000 0.000 0.310 392 W C 0.408 176.818 176.519 -0.182 0.000 1.274 392 W CA -0.377 56.812 57.345 -0.260 0.000 1.215 392 W CB 1.060 30.479 29.460 -0.069 0.000 1.227 392 W HN 0.347 nan 8.180 nan 0.000 0.523 393 Q N 2.935 122.843 119.800 0.180 0.000 2.330 393 Q HA 0.555 4.895 4.340 -0.000 0.000 0.269 393 Q C -0.333 175.781 176.000 0.189 0.000 1.022 393 Q CA -0.789 55.083 55.803 0.114 0.000 0.796 393 Q CB 1.923 30.695 28.738 0.058 0.000 1.271 393 Q HN 0.557 nan 8.270 nan 0.000 0.450 394 A N 2.155 125.078 122.820 0.172 0.000 2.354 394 A HA 0.589 4.908 4.320 -0.000 0.000 0.269 394 A C -0.281 177.367 177.584 0.105 0.000 1.109 394 A CA -0.332 51.828 52.037 0.204 0.000 0.800 394 A CB 0.626 19.722 19.000 0.160 0.000 1.045 394 A HN 0.450 nan 8.150 nan 0.000 0.489 395 V N 2.923 122.922 119.914 0.141 0.000 2.623 395 V HA 0.354 4.473 4.120 -0.000 0.000 0.304 395 V C -1.191 174.931 176.094 0.047 0.000 1.054 395 V CA -0.638 61.707 62.300 0.074 0.000 0.882 395 V CB 1.983 33.909 31.823 0.172 0.000 1.002 395 V HN 0.950 nan 8.190 nan 0.000 0.424 396 D N 2.593 122.963 120.400 -0.050 0.000 2.453 396 D HA 0.299 4.939 4.640 -0.000 0.000 0.238 396 D C 0.995 177.258 176.300 -0.060 0.000 1.088 396 D CA -0.226 53.775 54.000 0.001 0.000 0.854 396 D CB 2.002 42.797 40.800 -0.009 0.000 1.076 396 D HN 0.522 nan 8.370 nan 0.000 0.533 397 S N 1.372 116.998 115.700 -0.124 0.000 2.607 397 S HA 0.010 4.480 4.470 -0.000 0.000 0.224 397 S C 0.745 175.254 174.600 -0.152 0.000 0.969 397 S CA -0.227 57.819 58.200 -0.257 0.000 0.927 397 S CB -0.299 62.623 63.200 -0.464 0.000 0.772 397 S HN 0.366 nan 8.310 nan 0.000 0.533 398 T N 5.213 119.842 114.554 0.125 0.000 2.739 398 T HA 0.352 4.701 4.350 -0.000 0.000 0.298 398 T C -2.536 172.294 174.700 0.216 0.000 0.929 398 T CA -1.232 61.063 62.100 0.325 0.000 1.014 398 T CB 0.732 69.888 68.868 0.481 0.000 0.914 398 T HN 0.190 nan 8.240 nan 0.000 0.509 399 P HA 0.120 nan 4.420 nan 0.000 0.270 399 P C -0.367 176.972 177.300 0.066 0.000 1.221 399 P CA -0.194 62.928 63.100 0.038 0.000 0.788 399 P CB 0.393 32.076 31.700 -0.028 0.000 0.904 400 Q N -1.296 118.454 119.800 -0.083 0.000 2.721 400 Q HA 0.258 4.597 4.340 -0.000 0.000 0.282 400 Q C -1.471 174.374 176.000 -0.259 0.000 0.932 400 Q CA -0.957 54.729 55.803 -0.195 0.000 0.816 400 Q CB 0.800 29.318 28.738 -0.367 0.000 1.506 400 Q HN 0.188 nan 8.270 nan 0.000 0.399 401 E N 2.372 122.418 120.200 -0.256 0.000 2.299 401 E HA 0.140 4.490 4.350 -0.000 0.000 0.272 401 E C -0.656 175.613 176.600 -0.550 0.000 1.043 401 E CA 0.376 56.607 56.400 -0.282 0.000 0.895 401 E CB 0.573 30.178 29.700 -0.158 0.000 1.011 401 E HN 0.635 nan 8.360 nan 0.000 0.432 402 N N -0.334 117.965 118.700 -0.670 0.000 3.184 402 N HA 0.129 4.869 4.740 -0.000 0.000 0.353 402 N C 0.698 175.943 175.510 -0.442 0.000 1.441 402 N CA -0.515 51.729 53.050 -1.344 0.000 0.723 402 N CB -0.234 37.547 38.487 -1.176 0.000 1.547 402 N HN 0.119 nan 8.380 nan 0.000 0.624 403 S N -1.554 114.035 115.700 -0.184 0.000 2.423 403 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 403 S C 0.520 175.127 174.600 0.011 0.000 1.014 403 S CA 1.038 59.252 58.200 0.024 0.000 0.965 403 S CB -0.453 62.806 63.200 0.099 0.000 0.785 403 S HN 0.513 nan 8.310 nan 0.000 0.495 404 D N 1.593 122.003 120.400 0.016 0.000 2.249 404 D HA 0.245 4.885 4.640 -0.000 0.000 0.205 404 D C 1.220 177.652 176.300 0.219 0.000 0.962 404 D CA 1.115 55.195 54.000 0.133 0.000 0.860 404 D CB -0.162 40.702 40.800 0.108 0.000 0.955 404 D HN 0.610 nan 8.370 nan 0.000 0.505 405 G N 1.021 109.856 108.800 0.058 0.000 2.756 405 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.151 405 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.151 405 G C 0.055 174.690 174.900 -0.441 0.000 1.071 405 G CA -0.139 44.879 45.100 -0.137 0.000 0.881 405 G HN 0.102 nan 8.290 nan 0.000 0.517 406 M N -1.311 118.068 119.600 -0.369 0.000 2.934 406 M HA -0.085 4.395 4.480 -0.000 0.000 0.189 406 M C -1.177 174.785 176.300 -0.564 0.000 1.063 406 M CA 0.187 55.239 55.300 -0.413 0.000 0.723 406 M CB -2.027 30.351 32.600 -0.371 0.000 1.504 406 M HN 1.000 nan 8.290 nan 0.000 0.768 407 Y N -0.341 119.864 120.300 -0.158 0.000 2.715 407 Y HA 0.728 5.278 4.550 -0.000 0.000 0.331 407 Y C 0.539 176.343 175.900 -0.162 0.000 1.197 407 Y CA -0.918 57.089 58.100 -0.155 0.000 1.079 407 Y CB 0.518 38.883 38.460 -0.158 0.000 1.298 407 Y HN 0.438 nan 8.280 nan 0.000 0.477 408 R N 1.040 121.556 120.500 0.027 0.000 2.774 408 R HA 0.340 4.680 4.340 -0.000 0.000 0.269 408 R C -1.365 174.894 176.300 -0.069 0.000 1.068 408 R CA 0.138 56.193 56.100 -0.075 0.000 1.180 408 R CB 0.120 30.310 30.300 -0.183 0.000 1.077 408 R HN 0.684 nan 8.270 nan 0.000 0.513 409 C N 0.926 120.183 119.300 -0.072 0.000 2.408 409 C HA 0.845 5.305 4.460 -0.000 0.000 0.321 409 C C 0.303 175.274 174.990 -0.031 0.000 1.245 409 C CA 0.616 59.606 59.018 -0.046 0.000 1.523 409 C CB 0.539 28.261 27.740 -0.030 0.000 2.178 409 C HN 1.131 nan 8.230 nan 0.000 0.488 410 G N 4.131 112.949 108.800 0.030 0.000 2.408 410 G HA2 0.060 4.020 3.960 -0.000 0.000 0.682 410 G HA3 0.060 4.020 3.960 -0.000 0.000 0.682 410 G C -3.371 171.532 174.900 0.004 0.000 1.303 410 G CA -0.996 44.145 45.100 0.067 0.000 0.966 410 G HN 0.501 nan 8.290 nan 0.000 0.560 411 P HA 0.480 nan 4.420 nan 0.000 0.276 411 P C -0.179 177.244 177.300 0.204 0.000 1.253 411 P CA 0.663 63.843 63.100 0.134 0.000 0.766 411 P CB 1.175 32.939 31.700 0.107 0.000 0.845 412 A N 3.244 126.136 122.820 0.121 0.000 2.288 412 A HA 0.447 4.767 4.320 -0.000 0.000 0.320 412 A C 0.410 178.018 177.584 0.041 0.000 1.217 412 A CA -0.647 51.437 52.037 0.078 0.000 0.840 412 A CB 0.644 19.683 19.000 0.065 0.000 1.179 412 A HN 0.492 nan 8.150 nan 0.000 0.504 413 S N 2.476 118.171 115.700 -0.008 0.000 2.481 413 S HA 0.192 4.662 4.470 -0.000 0.000 0.276 413 S C 1.162 175.742 174.600 -0.034 0.000 1.247 413 S CA -0.402 57.785 58.200 -0.022 0.000 1.053 413 S CB 0.149 63.329 63.200 -0.034 0.000 0.925 413 S HN 0.841 nan 8.310 nan 0.000 0.491 414 V N 5.391 125.270 119.914 -0.059 0.000 2.828 414 V HA -0.131 3.989 4.120 -0.000 0.000 0.260 414 V C 2.493 178.485 176.094 -0.169 0.000 1.101 414 V CA 1.502 63.688 62.300 -0.191 0.000 1.123 414 V CB -0.808 30.803 31.823 -0.353 0.000 0.704 414 V HN 0.765 nan 8.190 nan 0.000 0.493 415 Q N -0.234 119.526 119.800 -0.066 0.000 2.123 415 Q HA 0.079 4.419 4.340 -0.000 0.000 0.196 415 Q C 2.519 178.498 176.000 -0.035 0.000 0.958 415 Q CA 1.547 57.274 55.803 -0.126 0.000 0.841 415 Q CB -0.487 28.254 28.738 0.004 0.000 0.915 415 Q HN 0.613 nan 8.270 nan 0.000 0.455 416 A N 1.258 124.124 122.820 0.077 0.000 1.865 416 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 416 A C 2.192 179.867 177.584 0.151 0.000 1.191 416 A CA 1.330 53.357 52.037 -0.016 0.000 0.623 416 A CB -0.833 17.916 19.000 -0.417 0.000 0.826 416 A HN 0.304 nan 8.150 nan 0.000 0.444 417 I N -0.425 120.211 120.570 0.109 0.000 2.069 417 I HA -0.337 3.833 4.170 -0.000 0.000 0.237 417 I C 2.583 178.883 176.117 0.306 0.000 1.053 417 I CA 2.157 63.615 61.300 0.264 0.000 1.311 417 I CB -0.334 37.777 38.000 0.184 0.000 1.030 417 I HN 0.403 nan 8.210 nan 0.000 0.398 418 K N -0.052 120.399 120.400 0.086 0.000 2.218 418 K HA -0.246 4.074 4.320 -0.000 0.000 0.205 418 K C 1.823 178.589 176.600 0.278 0.000 1.046 418 K CA 1.664 57.958 56.287 0.012 0.000 0.933 418 K CB -0.064 32.289 32.500 -0.244 0.000 0.728 418 K HN 0.421 nan 8.250 nan 0.000 0.454 419 H N -1.498 117.714 119.070 0.238 0.000 2.563 419 H HA 0.188 4.744 4.556 -0.000 0.000 0.264 419 H C 1.213 176.624 175.328 0.139 0.000 0.957 419 H CA 0.544 56.784 56.048 0.319 0.000 1.173 419 H CB 0.836 30.891 29.762 0.490 0.000 1.420 419 H HN 0.481 nan 8.280 nan 0.000 0.551 420 G N 0.674 109.677 108.800 0.339 0.000 2.162 420 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.260 420 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.260 420 G C 0.113 174.955 174.900 -0.096 0.000 0.976 420 G CA 0.102 45.223 45.100 0.034 0.000 0.655 420 G HN 0.511 nan 8.290 nan 0.000 0.533 421 H N 0.271 119.443 119.070 0.170 0.000 2.966 421 H HA 0.337 4.893 4.556 -0.000 0.000 0.217 421 H C 1.447 176.654 175.328 -0.201 0.000 1.906 421 H CA 0.300 56.379 56.048 0.051 0.000 1.351 421 H CB 0.437 30.319 29.762 0.199 0.000 1.722 421 H HN 0.163 nan 8.280 nan 0.000 0.562 422 V N 1.434 121.283 119.914 -0.108 0.000 3.592 422 V HA -0.145 3.975 4.120 -0.000 0.000 0.272 422 V C 1.826 177.734 176.094 -0.310 0.000 1.228 422 V CA 0.886 63.068 62.300 -0.197 0.000 1.173 422 V CB -0.928 30.719 31.823 -0.293 0.000 0.873 422 V HN 0.789 nan 8.190 nan 0.000 0.476 423 C N -2.245 116.660 119.300 -0.658 0.000 2.697 423 C HA 0.331 4.790 4.460 -0.000 0.000 0.267 423 C C 0.724 175.332 174.990 -0.637 0.000 1.278 423 C CA -0.881 57.695 59.018 -0.737 0.000 1.708 423 C CB -1.518 25.471 27.740 -1.252 0.000 1.860 423 C HN 0.269 nan 8.230 nan 0.000 0.589 424 F N 3.412 123.154 119.950 -0.348 0.000 2.411 424 F HA 0.374 4.901 4.527 -0.000 0.000 0.350 424 F C 1.012 176.604 175.800 -0.347 0.000 1.114 424 F CA -1.299 56.484 58.000 -0.361 0.000 1.135 424 F CB 0.392 39.114 39.000 -0.463 0.000 1.120 424 F HN 0.349 nan 8.300 nan 0.000 0.495 425 Q N 2.294 121.969 119.800 -0.209 0.000 2.375 425 Q HA -0.049 4.291 4.340 -0.000 0.000 0.344 425 Q C -1.244 174.444 176.000 -0.519 0.000 1.169 425 Q CA 0.219 55.700 55.803 -0.536 0.000 1.035 425 Q CB -0.078 28.048 28.738 -1.020 0.000 1.222 425 Q HN 0.583 nan 8.270 nan 0.000 0.412 426 F N 0.866 120.818 119.950 0.003 0.000 2.380 426 F HA -0.103 4.424 4.527 -0.000 0.000 0.485 426 F C -0.603 175.211 175.800 0.023 0.000 1.217 426 F CA 0.581 58.580 58.000 -0.002 0.000 1.556 426 F CB -2.535 36.454 39.000 -0.018 0.000 2.368 426 F HN 0.881 nan 8.300 nan 0.000 0.729 427 D N -1.494 119.036 120.400 0.216 0.000 2.708 427 D HA -0.234 4.406 4.640 -0.000 0.000 0.236 427 D C 1.437 177.905 176.300 0.279 0.000 1.146 427 D CA 1.013 55.186 54.000 0.289 0.000 0.662 427 D CB -1.130 39.783 40.800 0.189 0.000 1.059 427 D HN 0.721 nan 8.370 nan 0.000 0.428 428 A N 0.477 123.373 122.820 0.126 0.000 1.877 428 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 428 A C 0.325 177.925 177.584 0.026 0.000 1.186 428 A CA 1.786 53.859 52.037 0.060 0.000 0.620 428 A CB -0.935 18.061 19.000 -0.008 0.000 0.822 428 A HN 0.365 nan 8.150 nan 0.000 0.443 429 P HA -0.170 nan 4.420 nan 0.000 0.216 429 P C 1.077 178.189 177.300 -0.314 0.000 1.150 429 P CA 1.140 64.058 63.100 -0.305 0.000 0.837 429 P CB -0.316 31.055 31.700 -0.548 0.000 0.786 430 F N -0.411 119.542 119.950 0.005 0.000 2.234 430 F HA -0.083 4.444 4.527 -0.000 0.000 0.299 430 F C 2.497 178.258 175.800 -0.065 0.000 1.087 430 F CA 0.846 58.822 58.000 -0.041 0.000 1.340 430 F CB -1.474 37.481 39.000 -0.076 0.000 1.031 430 F HN -0.262 nan 8.300 nan 0.000 0.500 431 V N -0.942 119.022 119.914 0.083 0.000 2.649 431 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 431 V C 2.087 178.180 176.094 -0.002 0.000 1.054 431 V CA 0.930 63.188 62.300 -0.069 0.000 1.073 431 V CB -0.694 31.054 31.823 -0.126 0.000 0.699 431 V HN 0.256 nan 8.190 nan 0.000 0.463 432 F N 2.100 122.022 119.950 -0.047 0.000 2.043 432 F HA -0.262 4.264 4.527 -0.000 0.000 0.297 432 F C 2.347 178.140 175.800 -0.012 0.000 1.121 432 F CA 1.964 59.961 58.000 -0.005 0.000 1.199 432 F CB -0.516 38.462 39.000 -0.037 0.000 0.968 432 F HN 0.098 nan 8.300 nan 0.000 0.478 433 A N -0.232 122.687 122.820 0.165 0.000 2.131 433 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 433 A C 2.051 179.629 177.584 -0.010 0.000 1.158 433 A CA 1.658 53.733 52.037 0.064 0.000 0.665 433 A CB -0.747 18.273 19.000 0.033 0.000 0.795 433 A HN 0.567 nan 8.150 nan 0.000 0.460 434 E N -0.901 119.280 120.200 -0.031 0.000 2.152 434 E HA -0.067 4.282 4.350 -0.000 0.000 0.192 434 E C 1.453 178.081 176.600 0.047 0.000 0.983 434 E CA 1.156 57.554 56.400 -0.003 0.000 0.818 434 E CB -0.047 29.626 29.700 -0.044 0.000 0.758 434 E HN 0.396 nan 8.360 nan 0.000 0.467 435 V N 0.587 120.492 119.914 -0.015 0.000 3.578 435 V HA 0.072 4.192 4.120 -0.000 0.000 0.290 435 V C 0.216 176.257 176.094 -0.088 0.000 1.376 435 V CA 0.520 62.807 62.300 -0.023 0.000 1.083 435 V CB -0.097 31.706 31.823 -0.032 0.000 0.911 435 V HN 0.104 nan 8.190 nan 0.000 0.433 436 N N -1.104 117.510 118.700 -0.144 0.000 2.194 436 N HA 0.212 4.952 4.740 -0.000 0.000 0.231 436 N C 0.241 175.741 175.510 -0.017 0.000 1.247 436 N CA -0.065 52.904 53.050 -0.136 0.000 0.884 436 N CB 0.865 39.133 38.487 -0.365 0.000 1.146 436 N HN 0.130 nan 8.380 nan 0.000 0.516 437 S N 0.633 116.341 115.700 0.013 0.000 2.584 437 S HA 0.109 4.579 4.470 -0.000 0.000 0.270 437 S C -0.319 174.308 174.600 0.045 0.000 1.346 437 S CA 0.044 58.264 58.200 0.034 0.000 1.018 437 S CB 0.598 63.817 63.200 0.032 0.000 0.899 437 S HN 0.127 nan 8.310 nan 0.000 0.542 438 D N 1.326 121.745 120.400 0.031 0.000 2.248 438 D HA 0.366 5.006 4.640 -0.000 0.000 0.246 438 D C -0.469 175.825 176.300 -0.010 0.000 1.027 438 D CA -0.362 53.655 54.000 0.029 0.000 0.853 438 D CB 1.256 42.069 40.800 0.022 0.000 1.243 438 D HN 0.287 nan 8.370 nan 0.000 0.462 439 L N 2.494 123.705 121.223 -0.021 0.000 2.305 439 L HA 0.349 4.688 4.340 -0.000 0.000 0.281 439 L C -0.224 176.536 176.870 -0.185 0.000 1.085 439 L CA -0.468 54.286 54.840 -0.143 0.000 0.813 439 L CB 0.844 42.806 42.059 -0.163 0.000 1.157 439 L HN 0.163 nan 8.230 nan 0.000 0.436 440 I N 4.041 124.432 120.570 -0.298 0.000 2.410 440 I HA 0.235 4.405 4.170 -0.000 0.000 0.286 440 I C -0.639 175.249 176.117 -0.382 0.000 1.009 440 I CA -0.525 60.637 61.300 -0.230 0.000 1.111 440 I CB 1.336 39.232 38.000 -0.173 0.000 1.262 440 I HN 0.389 nan 8.210 nan 0.000 0.443 441 Y N 6.672 126.907 120.300 -0.109 0.000 2.350 441 Y HA 0.518 5.067 4.550 -0.000 0.000 0.340 441 Y C 0.370 176.194 175.900 -0.127 0.000 1.006 441 Y CA -0.278 57.748 58.100 -0.123 0.000 1.166 441 Y CB 1.139 39.560 38.460 -0.064 0.000 1.168 441 Y HN 0.355 nan 8.280 nan 0.000 0.502 442 I N 2.361 122.882 120.570 -0.082 0.000 2.569 442 I HA 0.361 4.531 4.170 -0.000 0.000 0.296 442 I C -0.372 175.791 176.117 0.076 0.000 1.028 442 I CA -0.747 60.534 61.300 -0.032 0.000 1.082 442 I CB 2.235 40.143 38.000 -0.153 0.000 1.264 442 I HN 0.437 nan 8.210 nan 0.000 0.429 443 T N 4.510 119.132 114.554 0.112 0.000 2.744 443 T HA 0.448 4.798 4.350 -0.000 0.000 0.291 443 T C 0.200 175.025 174.700 0.207 0.000 0.957 443 T CA -0.462 61.710 62.100 0.121 0.000 1.002 443 T CB 1.150 70.064 68.868 0.077 0.000 0.919 443 T HN 0.658 nan 8.240 nan 0.000 0.468 444 A N 4.730 127.660 122.820 0.184 0.000 2.923 444 A HA 0.274 4.594 4.320 -0.000 0.000 0.306 444 A C 0.777 178.457 177.584 0.159 0.000 1.542 444 A CA -0.508 51.691 52.037 0.269 0.000 1.225 444 A CB -0.190 18.838 19.000 0.047 0.000 1.147 444 A HN 0.569 nan 8.150 nan 0.000 0.542 445 K N 1.150 121.639 120.400 0.149 0.000 2.485 445 K HA 0.010 4.330 4.320 -0.000 0.000 0.277 445 K C 0.520 177.130 176.600 0.017 0.000 0.990 445 K CA -0.083 56.236 56.287 0.053 0.000 0.994 445 K CB 0.653 33.173 32.500 0.034 0.000 0.906 445 K HN 0.441 nan 8.250 nan 0.000 0.488 446 K N 1.783 122.183 120.400 0.000 0.000 2.442 446 K HA -0.143 4.177 4.320 -0.000 0.000 0.199 446 K C 0.890 177.475 176.600 -0.026 0.000 1.044 446 K CA 1.102 57.381 56.287 -0.014 0.000 0.941 446 K CB -0.100 32.392 32.500 -0.014 0.000 0.759 446 K HN 0.618 nan 8.250 nan 0.000 0.472 447 D N -0.612 119.769 120.400 -0.032 0.000 2.328 447 D HA 0.038 4.678 4.640 -0.000 0.000 0.226 447 D C 0.856 177.115 176.300 -0.069 0.000 1.066 447 D CA 0.551 54.526 54.000 -0.042 0.000 0.861 447 D CB -0.070 40.709 40.800 -0.036 0.000 0.912 447 D HN 0.169 nan 8.370 nan 0.000 0.521 448 G N 0.147 108.894 108.800 -0.088 0.000 2.137 448 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.237 448 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.237 448 G C 0.180 174.902 174.900 -0.296 0.000 1.002 448 G CA 0.373 45.382 45.100 -0.152 0.000 0.702 448 G HN 0.455 nan 8.290 nan 0.000 0.515 449 T N 0.436 114.835 114.554 -0.259 0.000 2.950 449 T HA 0.744 5.094 4.350 -0.000 0.000 0.288 449 T C -0.702 173.847 174.700 -0.251 0.000 1.035 449 T CA -0.539 61.383 62.100 -0.297 0.000 1.028 449 T CB 1.638 70.438 68.868 -0.113 0.000 1.109 449 T HN 0.294 nan 8.240 nan 0.000 0.514 450 H N 0.008 119.101 119.070 0.039 0.000 2.679 450 H HA 0.626 5.182 4.556 -0.000 0.000 0.360 450 H C -0.951 174.412 175.328 0.058 0.000 1.105 450 H CA -0.618 55.473 56.048 0.071 0.000 1.196 450 H CB 1.357 31.193 29.762 0.123 0.000 1.636 450 H HN 0.251 nan 8.280 nan 0.000 0.531 451 V N 2.527 122.556 119.914 0.191 0.000 2.715 451 V HA 0.275 4.395 4.120 -0.000 0.000 0.310 451 V C 0.114 176.264 176.094 0.093 0.000 1.054 451 V CA -0.934 61.432 62.300 0.109 0.000 0.928 451 V CB 2.444 34.312 31.823 0.075 0.000 1.007 451 V HN 0.476 nan 8.190 nan 0.000 0.437 452 V N 4.165 124.119 119.914 0.067 0.000 2.334 452 V HA 0.278 4.398 4.120 -0.000 0.000 0.267 452 V C 0.868 176.991 176.094 0.048 0.000 1.040 452 V CA -0.202 62.128 62.300 0.049 0.000 0.866 452 V CB 0.776 32.621 31.823 0.036 0.000 1.019 452 V HN 0.959 nan 8.190 nan 0.000 0.468 453 E N 3.377 123.612 120.200 0.058 0.000 2.024 453 E HA 0.027 4.377 4.350 -0.000 0.000 0.190 453 E C 0.507 177.134 176.600 0.045 0.000 0.974 453 E CA 0.812 57.239 56.400 0.045 0.000 0.810 453 E CB 0.215 29.936 29.700 0.035 0.000 0.775 453 E HN 0.634 nan 8.360 nan 0.000 0.453 454 N N -0.585 118.167 118.700 0.088 0.000 2.262 454 N HA 0.305 5.045 4.740 -0.000 0.000 0.295 454 N C -1.753 173.874 175.510 0.194 0.000 1.161 454 N CA -0.635 52.471 53.050 0.093 0.000 0.767 454 N CB 2.608 41.087 38.487 -0.012 0.000 1.499 454 N HN -0.071 nan 8.380 nan 0.000 0.476 455 V N 0.728 120.726 119.914 0.140 0.000 2.482 455 V HA 0.538 4.658 4.120 -0.000 0.000 0.295 455 V C -1.431 174.738 176.094 0.125 0.000 1.026 455 V CA -0.706 61.670 62.300 0.127 0.000 0.856 455 V CB 1.593 33.452 31.823 0.060 0.000 1.001 455 V HN 0.715 nan 8.190 nan 0.000 0.424 456 D N 5.131 125.622 120.400 0.151 0.000 2.456 456 D HA 0.590 5.229 4.640 -0.000 0.000 0.219 456 D C 0.857 177.216 176.300 0.098 0.000 1.126 456 D CA 0.389 54.469 54.000 0.133 0.000 0.890 456 D CB 1.680 42.585 40.800 0.175 0.000 1.025 456 D HN 0.825 nan 8.370 nan 0.000 0.511 457 A N 2.572 125.444 122.820 0.087 0.000 2.169 457 A HA -0.018 4.302 4.320 -0.000 0.000 0.212 457 A C 1.611 179.251 177.584 0.093 0.000 1.153 457 A CA 1.041 53.125 52.037 0.079 0.000 0.756 457 A CB -0.079 18.960 19.000 0.066 0.000 0.813 457 A HN 0.523 nan 8.150 nan 0.000 0.471 458 T N -4.797 109.823 114.554 0.111 0.000 3.129 458 T HA 0.181 4.531 4.350 -0.000 0.000 0.267 458 T C 1.171 175.969 174.700 0.163 0.000 1.018 458 T CA 0.485 62.656 62.100 0.118 0.000 0.903 458 T CB -0.329 68.599 68.868 0.100 0.000 1.067 458 T HN 0.475 nan 8.240 nan 0.000 0.549 459 H N 1.348 120.453 119.070 0.059 0.000 2.329 459 H HA 0.421 4.976 4.556 -0.000 0.000 0.306 459 H C 0.509 175.923 175.328 0.143 0.000 1.062 459 H CA 0.368 56.442 56.048 0.042 0.000 1.364 459 H CB -0.133 29.592 29.762 -0.062 0.000 1.409 459 H HN 0.370 nan 8.280 nan 0.000 0.519 460 I N 1.101 121.769 120.570 0.162 0.000 2.598 460 I HA 0.096 4.266 4.170 -0.000 0.000 0.284 460 I C 0.952 177.136 176.117 0.111 0.000 1.140 460 I CA 0.734 62.118 61.300 0.139 0.000 1.420 460 I CB 0.797 38.878 38.000 0.136 0.000 1.387 460 I HN 0.693 nan 8.210 nan 0.000 0.553 461 G N 5.501 114.376 108.800 0.125 0.000 2.324 461 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.292 461 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.292 461 G C 0.956 175.903 174.900 0.079 0.000 1.079 461 G CA -0.276 44.869 45.100 0.075 0.000 1.026 461 G HN 0.682 nan 8.290 nan 0.000 0.506 462 K N -1.087 119.384 120.400 0.119 0.000 2.025 462 K HA 0.162 4.482 4.320 -0.000 0.000 0.207 462 K C 1.233 177.872 176.600 0.065 0.000 1.049 462 K CA 0.893 57.241 56.287 0.101 0.000 0.933 462 K CB 0.107 32.686 32.500 0.132 0.000 0.714 462 K HN 0.527 nan 8.250 nan 0.000 0.438 463 L N 0.742 122.019 121.223 0.089 0.000 2.455 463 L HA 0.440 4.780 4.340 -0.000 0.000 0.264 463 L C -1.450 175.466 176.870 0.076 0.000 0.968 463 L CA -0.629 54.258 54.840 0.078 0.000 0.827 463 L CB 2.020 44.114 42.059 0.058 0.000 1.317 463 L HN -0.057 nan 8.230 nan 0.000 0.407 464 I N 4.294 124.840 120.570 -0.040 0.000 2.447 464 I HA 0.529 4.699 4.170 -0.000 0.000 0.287 464 I C -0.713 175.301 176.117 -0.172 0.000 1.023 464 I CA -0.605 60.584 61.300 -0.186 0.000 1.083 464 I CB 2.135 39.984 38.000 -0.252 0.000 1.245 464 I HN 0.198 nan 8.210 nan 0.000 0.434 465 V N 4.371 124.131 119.914 -0.256 0.000 3.102 465 V HA 0.730 4.850 4.120 -0.000 0.000 0.312 465 V C -0.498 175.368 176.094 -0.380 0.000 1.135 465 V CA -0.279 61.822 62.300 -0.332 0.000 1.022 465 V CB 2.781 34.355 31.823 -0.415 0.000 1.056 465 V HN 0.800 nan 8.190 nan 0.000 0.436 466 T N 1.971 116.288 114.554 -0.393 0.000 2.885 466 T HA 0.332 4.682 4.350 -0.000 0.000 0.322 466 T C -1.042 173.631 174.700 -0.045 0.000 1.387 466 T CA -0.640 61.349 62.100 -0.185 0.000 1.041 466 T CB 1.537 70.325 68.868 -0.133 0.000 1.287 466 T HN 0.819 nan 8.240 nan 0.000 0.491 467 K N 2.729 123.333 120.400 0.340 0.000 2.489 467 K HA 0.115 4.435 4.320 -0.000 0.000 0.278 467 K C 0.634 177.351 176.600 0.195 0.000 1.000 467 K CA -0.090 56.449 56.287 0.419 0.000 1.012 467 K CB 0.396 33.087 32.500 0.318 0.000 0.903 467 K HN 0.689 nan 8.250 nan 0.000 0.485 468 Q N 3.193 123.087 119.800 0.158 0.000 2.368 468 Q HA 0.042 4.382 4.340 -0.000 0.000 0.237 468 Q C 0.847 176.880 176.000 0.056 0.000 0.987 468 Q CA -0.485 55.369 55.803 0.085 0.000 0.896 468 Q CB 0.884 29.656 28.738 0.058 0.000 1.241 468 Q HN 0.722 nan 8.270 nan 0.000 0.485 469 I N 2.354 122.933 120.570 0.015 0.000 2.163 469 I HA -0.230 3.940 4.170 -0.000 0.000 0.243 469 I C 1.926 178.020 176.117 -0.038 0.000 1.085 469 I CA 2.429 63.689 61.300 -0.066 0.000 1.347 469 I CB -0.708 37.242 38.000 -0.083 0.000 1.044 469 I HN 1.013 nan 8.210 nan 0.000 0.408 470 G N -0.889 107.906 108.800 -0.007 0.000 2.604 470 G HA2 0.025 3.985 3.960 -0.000 0.000 0.216 470 G HA3 0.025 3.985 3.960 -0.000 0.000 0.216 470 G C 1.000 175.913 174.900 0.022 0.000 1.265 470 G CA 0.949 46.051 45.100 0.004 0.000 0.804 470 G HN 0.605 nan 8.290 nan 0.000 0.579 471 G N -1.343 107.481 108.800 0.039 0.000 3.310 471 G HA2 0.398 4.358 3.960 -0.000 0.000 0.174 471 G HA3 0.398 4.358 3.960 -0.000 0.000 0.174 471 G C -0.248 174.696 174.900 0.072 0.000 1.097 471 G CA 0.429 45.562 45.100 0.056 0.000 0.795 471 G HN 0.039 nan 8.290 nan 0.000 0.670 472 D N 0.776 121.216 120.400 0.067 0.000 2.328 472 D HA 0.204 4.843 4.640 -0.000 0.000 0.226 472 D C 1.422 177.791 176.300 0.115 0.000 1.066 472 D CA 0.310 54.345 54.000 0.058 0.000 0.861 472 D CB 0.025 40.836 40.800 0.018 0.000 0.912 472 D HN 0.371 nan 8.370 nan 0.000 0.521 473 G N 0.284 109.166 108.800 0.137 0.000 2.651 473 G HA2 0.293 4.253 3.960 -0.000 0.000 0.260 473 G HA3 0.293 4.253 3.960 -0.000 0.000 0.260 473 G C -0.066 175.028 174.900 0.323 0.000 1.216 473 G CA -0.527 44.682 45.100 0.181 0.000 0.913 473 G HN 0.109 nan 8.290 nan 0.000 0.535 474 M N 0.375 120.092 119.600 0.195 0.000 2.423 474 M HA 0.661 5.141 4.480 -0.000 0.000 0.335 474 M C -0.797 175.412 176.300 -0.152 0.000 1.177 474 M CA -0.576 54.638 55.300 -0.145 0.000 1.038 474 M CB 1.608 34.036 32.600 -0.286 0.000 1.641 474 M HN 0.503 nan 8.290 nan 0.000 0.455 475 M N 3.722 123.179 119.600 -0.240 0.000 2.327 475 M HA 0.276 4.756 4.480 -0.000 0.000 0.298 475 M C -1.570 174.628 176.300 -0.169 0.000 1.065 475 M CA -0.602 54.620 55.300 -0.131 0.000 0.916 475 M CB 1.755 34.321 32.600 -0.058 0.000 1.630 475 M HN 0.642 nan 8.290 nan 0.000 0.442 476 D N 5.631 125.965 120.400 -0.110 0.000 2.365 476 D HA 0.249 4.889 4.640 -0.000 0.000 0.237 476 D C 0.470 176.739 176.300 -0.051 0.000 1.190 476 D CA -0.065 53.880 54.000 -0.091 0.000 0.867 476 D CB 0.511 41.275 40.800 -0.060 0.000 1.050 476 D HN 0.724 nan 8.370 nan 0.000 0.491 477 I N 0.769 121.306 120.570 -0.054 0.000 3.927 477 I HA 0.114 4.284 4.170 -0.000 0.000 0.332 477 I C 1.175 177.336 176.117 0.075 0.000 1.485 477 I CA -0.489 60.811 61.300 0.001 0.000 1.131 477 I CB 0.286 38.273 38.000 -0.022 0.000 1.092 477 I HN -0.005 nan 8.210 nan 0.000 0.410 478 T N 2.144 116.721 114.554 0.039 0.000 2.653 478 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 478 T C 1.472 176.238 174.700 0.109 0.000 1.035 478 T CA 2.469 64.608 62.100 0.065 0.000 1.154 478 T CB -0.462 68.423 68.868 0.028 0.000 0.862 478 T HN 0.711 nan 8.240 nan 0.000 0.441 479 D N 1.635 122.076 120.400 0.070 0.000 2.371 479 D HA -0.055 4.585 4.640 -0.000 0.000 0.234 479 D C 1.634 177.936 176.300 0.004 0.000 1.049 479 D CA 1.036 55.063 54.000 0.046 0.000 0.907 479 D CB -0.543 40.288 40.800 0.051 0.000 0.891 479 D HN 0.569 nan 8.370 nan 0.000 0.531 480 T N -3.902 110.672 114.554 0.033 0.000 3.037 480 T HA 0.036 4.386 4.350 -0.000 0.000 0.252 480 T C 1.590 176.184 174.700 -0.176 0.000 1.073 480 T CA 0.030 62.087 62.100 -0.072 0.000 1.091 480 T CB -0.466 68.360 68.868 -0.069 0.000 0.935 480 T HN 0.072 nan 8.240 nan 0.000 0.488 481 Y N 1.897 122.168 120.300 -0.049 0.000 2.479 481 Y HA 0.442 4.992 4.550 -0.000 0.000 0.283 481 Y C 0.870 176.706 175.900 -0.107 0.000 1.109 481 Y CA -0.071 58.004 58.100 -0.041 0.000 1.239 481 Y CB 0.457 38.928 38.460 0.018 0.000 1.108 481 Y HN 0.150 nan 8.280 nan 0.000 0.548 482 K N -0.896 119.530 120.400 0.043 0.000 2.477 482 K HA 0.405 4.725 4.320 -0.000 0.000 0.255 482 K C -1.527 175.047 176.600 -0.042 0.000 0.952 482 K CA -0.805 55.473 56.287 -0.015 0.000 0.826 482 K CB 1.763 34.295 32.500 0.054 0.000 1.331 482 K HN -0.273 nan 8.250 nan 0.000 0.437 483 F N 1.327 121.344 119.950 0.112 0.000 2.375 483 F HA 0.184 4.711 4.527 -0.000 0.000 0.313 483 F C 0.957 176.803 175.800 0.077 0.000 1.176 483 F CA -0.366 57.694 58.000 0.100 0.000 1.142 483 F CB 0.636 39.695 39.000 0.098 0.000 1.275 483 F HN 0.293 nan 8.300 nan 0.000 0.544 484 Q N 0.934 120.905 119.800 0.285 0.000 2.271 484 Q HA 0.042 4.382 4.340 -0.000 0.000 0.273 484 Q C -0.634 175.449 176.000 0.139 0.000 1.051 484 Q CA 0.047 55.950 55.803 0.167 0.000 0.901 484 Q CB 0.175 28.988 28.738 0.125 0.000 1.174 484 Q HN 0.460 nan 8.270 nan 0.000 0.385 485 E N 1.428 121.697 120.200 0.115 0.000 2.603 485 E HA -0.009 4.341 4.350 -0.000 0.000 0.242 485 E C 0.786 177.431 176.600 0.075 0.000 1.083 485 E CA 0.631 57.087 56.400 0.094 0.000 0.950 485 E CB 0.070 29.819 29.700 0.082 0.000 0.952 485 E HN 0.955 nan 8.360 nan 0.000 0.498 486 G N 2.900 111.739 108.800 0.066 0.000 2.901 486 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.194 486 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.194 486 G C 0.106 175.027 174.900 0.034 0.000 1.020 486 G CA -0.136 44.993 45.100 0.048 0.000 0.787 486 G HN 0.533 nan 8.290 nan 0.000 0.477 487 Q N 0.513 120.334 119.800 0.035 0.000 2.185 487 Q HA 0.786 5.126 4.340 -0.000 0.000 0.225 487 Q C 0.978 176.962 176.000 -0.026 0.000 0.983 487 Q CA -0.133 55.672 55.803 0.004 0.000 0.950 487 Q CB 1.508 30.247 28.738 0.001 0.000 1.176 487 Q HN -0.000 nan 8.270 nan 0.000 0.510 488 E N 0.672 120.839 120.200 -0.055 0.000 2.031 488 E HA -0.209 4.140 4.350 -0.000 0.000 0.193 488 E C 1.542 178.061 176.600 -0.136 0.000 0.994 488 E CA 2.031 58.386 56.400 -0.075 0.000 0.800 488 E CB 0.059 29.716 29.700 -0.072 0.000 0.752 488 E HN 0.720 nan 8.360 nan 0.000 0.447 489 E N -0.086 119.962 120.200 -0.254 0.000 2.209 489 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 489 E C 1.925 178.255 176.600 -0.451 0.000 0.993 489 E CA 1.225 57.317 56.400 -0.514 0.000 0.819 489 E CB -0.084 29.041 29.700 -0.959 0.000 0.745 489 E HN 0.317 nan 8.360 nan 0.000 0.477 490 E N 1.711 121.811 120.200 -0.167 0.000 2.152 490 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 490 E C 2.037 178.692 176.600 0.091 0.000 0.983 490 E CA 1.002 57.465 56.400 0.104 0.000 0.818 490 E CB -0.022 29.762 29.700 0.140 0.000 0.758 490 E HN 0.105 nan 8.360 nan 0.000 0.467 491 R N 0.128 120.640 120.500 0.020 0.000 2.055 491 R HA -0.035 4.305 4.340 -0.000 0.000 0.228 491 R C 2.424 178.734 176.300 0.018 0.000 1.143 491 R CA 1.512 57.627 56.100 0.025 0.000 0.945 491 R CB -0.450 29.851 30.300 0.000 0.000 0.841 491 R HN 0.283 nan 8.270 nan 0.000 0.429 492 L N 0.769 121.978 121.223 -0.023 0.000 2.081 492 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 492 L C 2.767 179.633 176.870 -0.006 0.000 1.080 492 L CA 1.378 56.197 54.840 -0.035 0.000 0.754 492 L CB -0.761 41.257 42.059 -0.068 0.000 0.893 492 L HN 0.385 nan 8.230 nan 0.000 0.433 493 A N 0.538 123.398 122.820 0.067 0.000 1.851 493 A HA -0.264 4.056 4.320 -0.000 0.000 0.216 493 A C 2.311 179.986 177.584 0.152 0.000 1.195 493 A CA 1.986 54.128 52.037 0.175 0.000 0.622 493 A CB -0.910 18.346 19.000 0.426 0.000 0.831 493 A HN 0.376 nan 8.150 nan 0.000 0.444 494 L N -0.484 120.864 121.223 0.209 0.000 2.043 494 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 494 L C 2.360 179.247 176.870 0.029 0.000 1.075 494 L CA 2.525 57.486 54.840 0.202 0.000 0.752 494 L CB -0.327 41.835 42.059 0.172 0.000 0.891 494 L HN 0.545 nan 8.230 nan 0.000 0.432 495 E N -1.181 119.011 120.200 -0.014 0.000 2.150 495 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 495 E C 2.094 178.592 176.600 -0.170 0.000 0.985 495 E CA 1.544 57.895 56.400 -0.080 0.000 0.814 495 E CB -0.070 29.591 29.700 -0.065 0.000 0.752 495 E HN 0.732 nan 8.360 nan 0.000 0.466 496 T N -1.397 113.047 114.554 -0.183 0.000 2.904 496 T HA 0.011 4.361 4.350 -0.000 0.000 0.267 496 T C 2.008 176.460 174.700 -0.413 0.000 1.059 496 T CA 0.872 62.783 62.100 -0.315 0.000 1.137 496 T CB -0.089 68.626 68.868 -0.255 0.000 0.879 496 T HN 0.120 nan 8.240 nan 0.000 0.467 497 A N 1.770 124.376 122.820 -0.356 0.000 1.908 497 A HA 0.142 4.462 4.320 -0.000 0.000 0.218 497 A C 2.429 179.780 177.584 -0.389 0.000 1.181 497 A CA 1.454 53.168 52.037 -0.538 0.000 0.627 497 A CB -0.946 17.465 19.000 -0.981 0.000 0.818 497 A HN 0.568 nan 8.150 nan 0.000 0.445 498 L N -1.554 119.495 121.223 -0.289 0.000 2.201 498 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 498 L C 2.707 179.410 176.870 -0.278 0.000 1.105 498 L CA 1.167 55.873 54.840 -0.224 0.000 0.775 498 L CB -0.337 41.633 42.059 -0.148 0.000 0.913 498 L HN 0.431 nan 8.230 nan 0.000 0.440 499 M N -1.407 117.931 119.600 -0.437 0.000 2.460 499 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 499 M C 0.148 176.075 176.300 -0.622 0.000 1.071 499 M CA 1.355 56.306 55.300 -0.580 0.000 1.096 499 M CB 0.311 32.398 32.600 -0.854 0.000 1.408 499 M HN 0.142 nan 8.290 nan 0.000 0.463 500 Y N -1.049 119.136 120.300 -0.192 0.000 2.669 500 Y HA 0.462 5.012 4.550 -0.000 0.000 0.302 500 Y C 1.018 176.789 175.900 -0.216 0.000 1.000 500 Y CA -0.329 57.646 58.100 -0.208 0.000 1.222 500 Y CB 0.017 38.324 38.460 -0.256 0.000 1.209 500 Y HN 0.279 nan 8.280 nan 0.000 0.571 501 G N -0.248 108.499 108.800 -0.087 0.000 2.238 501 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.217 501 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.217 501 G C 0.424 175.219 174.900 -0.175 0.000 0.996 501 G CA -0.295 44.735 45.100 -0.118 0.000 0.632 501 G HN 0.671 nan 8.290 nan 0.000 0.503 502 A N 0.829 123.525 122.820 -0.207 0.000 2.354 502 A HA 0.702 5.021 4.320 -0.000 0.000 0.269 502 A C 0.396 177.903 177.584 -0.127 0.000 1.109 502 A CA 0.675 52.595 52.037 -0.195 0.000 0.800 502 A CB 0.481 19.343 19.000 -0.230 0.000 1.045 502 A HN 0.998 nan 8.150 nan 0.000 0.489 503 K N 1.386 121.733 120.400 -0.088 0.000 2.435 503 K HA 0.560 4.880 4.320 -0.000 0.000 0.251 503 K C -1.404 175.176 176.600 -0.033 0.000 0.954 503 K CA -0.885 55.366 56.287 -0.059 0.000 0.820 503 K CB 2.094 34.562 32.500 -0.054 0.000 1.292 503 K HN 0.468 nan 8.250 nan 0.000 0.436 504 K N 2.347 122.732 120.400 -0.026 0.000 2.478 504 K HA 0.214 4.534 4.320 -0.000 0.000 0.236 504 K C -2.217 174.375 176.600 -0.013 0.000 1.021 504 K CA -1.890 54.389 56.287 -0.014 0.000 1.010 504 K CB 1.517 34.011 32.500 -0.009 0.000 1.331 504 K HN 0.355 nan 8.250 nan 0.000 0.470 505 P HA -0.154 nan 4.420 nan 0.000 0.214 505 P C 0.199 177.501 177.300 0.004 0.000 1.163 505 P CA 0.954 64.053 63.100 -0.001 0.000 0.883 505 P CB 0.309 32.012 31.700 0.004 0.000 0.788 506 L N -0.162 121.062 121.223 0.001 0.000 2.436 506 L HA 0.139 4.479 4.340 -0.000 0.000 0.265 506 L C 0.031 176.903 176.870 0.004 0.000 1.168 506 L CA -0.333 54.511 54.840 0.006 0.000 0.815 506 L CB 0.198 42.254 42.059 -0.005 0.000 1.109 506 L HN -0.030 nan 8.230 nan 0.000 0.462 507 N N -0.703 118.003 118.700 0.010 0.000 2.564 507 N HA 0.207 4.947 4.740 -0.000 0.000 0.248 507 N C -0.555 174.962 175.510 0.012 0.000 0.986 507 N CA -0.710 52.345 53.050 0.008 0.000 0.921 507 N CB 1.122 39.614 38.487 0.008 0.000 1.136 507 N HN 0.481 nan 8.380 nan 0.000 0.509 508 T N -1.297 113.263 114.554 0.010 0.000 3.474 508 T HA 0.055 4.405 4.350 -0.000 0.000 0.270 508 T C 0.022 174.731 174.700 0.014 0.000 1.079 508 T CA -0.837 61.272 62.100 0.015 0.000 1.110 508 T CB -0.622 68.257 68.868 0.017 0.000 1.087 508 T HN 0.434 nan 8.240 nan 0.000 0.784 509 E N 1.852 122.060 120.200 0.015 0.000 2.847 509 E HA 0.287 4.637 4.350 -0.000 0.000 0.290 509 E C 1.526 178.133 176.600 0.013 0.000 1.103 509 E CA 0.140 56.548 56.400 0.013 0.000 1.173 509 E CB -1.518 28.190 29.700 0.014 0.000 1.045 509 E HN 0.814 nan 8.360 nan 0.000 0.461 510 G N -0.281 108.526 108.800 0.012 0.000 2.205 510 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.269 510 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.269 510 G C 0.172 175.080 174.900 0.013 0.000 0.977 510 G CA 0.451 45.558 45.100 0.011 0.000 0.652 510 G HN 0.595 nan 8.290 nan 0.000 0.539 511 V N -0.184 119.739 119.914 0.015 0.000 2.823 511 V HA 0.904 5.024 4.120 -0.000 0.000 0.312 511 V C 0.441 176.547 176.094 0.019 0.000 1.072 511 V CA 0.269 62.579 62.300 0.016 0.000 0.937 511 V CB 1.833 33.666 31.823 0.016 0.000 1.013 511 V HN 0.340 nan 8.190 nan 0.000 0.430 512 M N 2.939 122.550 119.600 0.017 0.000 1.359 512 M HA 0.133 4.613 4.480 -0.000 0.000 0.168 512 M C -0.024 176.281 176.300 0.009 0.000 0.952 512 M CA 1.187 56.497 55.300 0.018 0.000 0.601 512 M CB -0.820 31.795 32.600 0.025 0.000 1.672 512 M HN 0.978 nan 8.290 nan 0.000 0.646 513 K N 0.939 121.345 120.400 0.010 0.000 1.497 513 K HA -0.167 4.153 4.320 -0.000 0.000 0.694 513 K C -0.390 176.209 176.600 -0.001 0.000 1.790 513 K CA 1.121 57.412 56.287 0.006 0.000 1.194 513 K CB -1.600 30.904 32.500 0.006 0.000 2.108 513 K HN 0.324 nan 8.250 nan 0.000 0.560 514 S N 1.195 116.893 115.700 -0.003 0.000 2.414 514 S HA 0.137 4.607 4.470 -0.000 0.000 0.290 514 S C -0.249 174.335 174.600 -0.027 0.000 1.160 514 S CA -0.762 57.430 58.200 -0.013 0.000 1.069 514 S CB 0.056 63.250 63.200 -0.010 0.000 1.012 514 S HN 0.443 nan 8.310 nan 0.000 0.510 515 R N 4.267 124.743 120.500 -0.040 0.000 2.842 515 R HA 0.001 4.341 4.340 -0.000 0.000 0.260 515 R C 1.214 177.451 176.300 -0.104 0.000 1.495 515 R CA 0.636 56.699 56.100 -0.063 0.000 1.024 515 R CB -2.227 28.033 30.300 -0.067 0.000 1.147 515 R HN 0.946 nan 8.270 nan 0.000 0.553 516 S N -0.117 115.529 115.700 -0.090 0.000 3.077 516 S HA -0.336 4.134 4.470 -0.000 0.000 0.307 516 S C 0.112 174.652 174.600 -0.100 0.000 1.291 516 S CA 1.234 59.367 58.200 -0.111 0.000 1.069 516 S CB -1.413 61.626 63.200 -0.268 0.000 1.218 516 S HN 0.774 nan 8.310 nan 0.000 0.699 517 N N -1.667 116.987 118.700 -0.077 0.000 2.862 517 N HA -0.111 4.629 4.740 -0.000 0.000 0.246 517 N C -0.862 174.606 175.510 -0.071 0.000 1.111 517 N CA 0.988 54.007 53.050 -0.051 0.000 0.688 517 N CB -1.803 36.675 38.487 -0.015 0.000 1.018 517 N HN 0.799 nan 8.380 nan 0.000 0.556 518 V N 0.130 119.980 119.914 -0.107 0.000 2.326 518 V HA 0.332 4.452 4.120 -0.000 0.000 0.281 518 V C -0.177 175.883 176.094 -0.057 0.000 1.015 518 V CA -0.915 61.327 62.300 -0.097 0.000 0.823 518 V CB 1.807 33.530 31.823 -0.166 0.000 1.009 518 V HN 0.053 nan 8.190 nan 0.000 0.436 519 D N 5.642 126.009 120.400 -0.056 0.000 2.280 519 D HA 0.399 5.039 4.640 -0.000 0.000 0.243 519 D C -0.166 176.090 176.300 -0.074 0.000 1.129 519 D CA 0.059 54.024 54.000 -0.059 0.000 0.848 519 D CB 1.865 42.626 40.800 -0.065 0.000 1.107 519 D HN 0.491 nan 8.370 nan 0.000 0.471 520 M N 2.268 121.826 119.600 -0.070 0.000 2.456 520 M HA 0.400 4.880 4.480 -0.000 0.000 0.324 520 M C -1.609 174.617 176.300 -0.124 0.000 1.124 520 M CA -0.381 54.824 55.300 -0.158 0.000 0.959 520 M CB 2.407 34.920 32.600 -0.144 0.000 1.692 520 M HN 0.253 nan 8.290 nan 0.000 0.444 521 D N 3.509 123.821 120.400 -0.146 0.000 2.639 521 D HA 0.513 5.152 4.640 -0.000 0.000 0.271 521 D C -2.159 174.189 176.300 0.080 0.000 1.254 521 D CA -0.115 53.883 54.000 -0.004 0.000 0.810 521 D CB 2.393 43.183 40.800 -0.016 0.000 1.351 521 D HN 0.592 nan 8.370 nan 0.000 0.427 522 F N 0.010 119.893 119.950 -0.112 0.000 2.689 522 F HA 0.545 5.071 4.527 -0.000 0.000 0.332 522 F C -1.127 174.641 175.800 -0.054 0.000 1.209 522 F CA -0.793 57.145 58.000 -0.103 0.000 1.028 522 F CB 0.808 39.732 39.000 -0.127 0.000 1.291 522 F HN -0.054 nan 8.300 nan 0.000 0.500 523 E N 2.573 122.759 120.200 -0.023 0.000 2.318 523 E HA 0.751 5.101 4.350 -0.000 0.000 0.265 523 E C -1.035 175.537 176.600 -0.046 0.000 1.069 523 E CA -0.952 55.391 56.400 -0.096 0.000 0.893 523 E CB 2.149 31.833 29.700 -0.027 0.000 1.076 523 E HN 0.546 nan 8.360 nan 0.000 0.414 524 V N 1.743 121.618 119.914 -0.066 0.000 2.808 524 V HA 0.181 4.300 4.120 -0.000 0.000 0.308 524 V C 0.138 176.247 176.094 0.026 0.000 1.099 524 V CA -0.870 61.434 62.300 0.008 0.000 0.920 524 V CB 1.524 33.344 31.823 -0.005 0.000 1.014 524 V HN 0.783 nan 8.190 nan 0.000 0.425 525 E N 3.934 124.184 120.200 0.083 0.000 4.126 525 E HA 0.475 4.825 4.350 -0.000 0.000 0.314 525 E C -0.833 175.753 176.600 -0.023 0.000 1.438 525 E CA -0.657 55.771 56.400 0.047 0.000 1.682 525 E CB 0.488 30.242 29.700 0.090 0.000 1.454 525 E HN 0.784 nan 8.360 nan 0.000 0.810 526 N N -0.933 117.715 118.700 -0.088 0.000 2.929 526 N HA 0.405 5.145 4.740 -0.000 0.000 0.245 526 N C -1.463 173.933 175.510 -0.190 0.000 1.081 526 N CA -0.257 52.639 53.050 -0.257 0.000 1.048 526 N CB 1.220 39.590 38.487 -0.196 0.000 1.629 526 N HN 0.662 nan 8.380 nan 0.000 0.598 527 A N 1.033 123.690 122.820 -0.270 0.000 3.158 527 A HA 0.895 5.215 4.320 -0.000 0.000 0.217 527 A C -0.589 176.938 177.584 -0.094 0.000 1.469 527 A CA -0.510 51.471 52.037 -0.093 0.000 0.885 527 A CB 0.406 19.434 19.000 0.047 0.000 1.662 527 A HN 0.453 nan 8.150 nan 0.000 0.512 528 V N 0.409 120.317 119.914 -0.009 0.000 2.994 528 V HA 0.331 4.451 4.120 -0.000 0.000 0.318 528 V C -0.228 175.907 176.094 0.068 0.000 1.085 528 V CA -0.927 61.378 62.300 0.007 0.000 0.998 528 V CB 1.548 33.383 31.823 0.021 0.000 1.063 528 V HN 0.624 nan 8.190 nan 0.000 0.447 529 L N 2.367 123.637 121.223 0.078 0.000 2.543 529 L HA 0.232 4.571 4.340 -0.000 0.000 0.285 529 L C 1.527 178.489 176.870 0.154 0.000 1.236 529 L CA 1.884 56.819 54.840 0.159 0.000 0.871 529 L CB -0.898 41.232 42.059 0.117 0.000 1.121 529 L HN 1.102 nan 8.230 nan 0.000 0.501 530 G N 2.700 111.615 108.800 0.192 0.000 2.225 530 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.254 530 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.254 530 G C 0.565 175.531 174.900 0.110 0.000 0.988 530 G CA 0.101 45.254 45.100 0.087 0.000 0.625 530 G HN 0.541 nan 8.290 nan 0.000 0.527 531 K N 0.726 121.244 120.400 0.197 0.000 2.139 531 K HA 0.567 4.886 4.320 -0.000 0.000 0.243 531 K C -0.699 176.112 176.600 0.351 0.000 0.983 531 K CA -0.643 55.764 56.287 0.200 0.000 0.890 531 K CB 0.871 33.466 32.500 0.159 0.000 1.090 531 K HN 0.208 nan 8.250 nan 0.000 0.445 532 D N 0.201 120.780 120.400 0.299 0.000 2.385 532 D HA 0.527 5.167 4.640 -0.000 0.000 0.254 532 D C -0.591 175.989 176.300 0.467 0.000 1.053 532 D CA -0.277 53.936 54.000 0.356 0.000 0.992 532 D CB 0.648 41.542 40.800 0.157 0.000 1.145 532 D HN 0.305 nan 8.370 nan 0.000 0.523 533 F N -2.504 117.544 119.950 0.163 0.000 2.831 533 F HA 0.642 5.169 4.527 -0.000 0.000 0.318 533 F C -1.448 174.411 175.800 0.098 0.000 1.174 533 F CA -1.354 56.711 58.000 0.109 0.000 0.918 533 F CB 1.083 40.140 39.000 0.095 0.000 1.364 533 F HN 0.331 nan 8.300 nan 0.000 0.475 534 K N 0.528 121.011 120.400 0.138 0.000 2.533 534 K HA 0.815 5.135 4.320 -0.000 0.000 0.272 534 K C -2.379 174.247 176.600 0.043 0.000 0.985 534 K CA -0.921 55.363 56.287 -0.005 0.000 0.876 534 K CB 2.470 34.978 32.500 0.013 0.000 1.452 534 K HN 0.649 nan 8.250 nan 0.000 0.439 535 L N 0.753 121.965 121.223 -0.019 0.000 2.342 535 L HA 0.476 4.816 4.340 -0.000 0.000 0.271 535 L C -0.648 176.237 176.870 0.025 0.000 1.008 535 L CA -0.460 54.386 54.840 0.009 0.000 0.818 535 L CB 2.167 44.197 42.059 -0.048 0.000 1.296 535 L HN 0.732 nan 8.230 nan 0.000 0.427 536 S N 2.513 118.251 115.700 0.062 0.000 2.718 536 S HA 0.593 5.062 4.470 -0.000 0.000 0.294 536 S C -0.537 174.096 174.600 0.056 0.000 1.157 536 S CA -0.397 57.830 58.200 0.044 0.000 1.121 536 S CB 0.285 63.516 63.200 0.051 0.000 1.015 536 S HN 0.298 nan 8.310 nan 0.000 0.479 537 I N 3.274 123.833 120.570 -0.019 0.000 2.352 537 I HA 0.254 4.424 4.170 -0.000 0.000 0.290 537 I C 0.870 176.864 176.117 -0.205 0.000 1.036 537 I CA -0.141 61.065 61.300 -0.156 0.000 1.336 537 I CB 0.647 38.452 38.000 -0.325 0.000 1.407 537 I HN 0.505 nan 8.210 nan 0.000 0.497 538 T N 3.615 118.049 114.554 -0.199 0.000 2.821 538 T HA 0.631 4.981 4.350 -0.000 0.000 0.307 538 T C -0.497 174.013 174.700 -0.315 0.000 1.034 538 T CA -0.568 61.456 62.100 -0.127 0.000 0.953 538 T CB -0.141 68.781 68.868 0.090 0.000 0.968 538 T HN 0.116 nan 8.240 nan 0.000 0.462 539 F N 3.021 122.837 119.950 -0.223 0.000 2.404 539 F HA 0.585 5.112 4.527 -0.000 0.000 0.339 539 F C 1.115 176.655 175.800 -0.434 0.000 1.105 539 F CA -1.097 56.764 58.000 -0.233 0.000 1.087 539 F CB 1.465 40.387 39.000 -0.130 0.000 1.143 539 F HN 0.562 nan 8.300 nan 0.000 0.491 540 R N 1.565 121.926 120.500 -0.231 0.000 2.502 540 R HA 0.370 4.710 4.340 -0.000 0.000 0.298 540 R C -1.473 174.757 176.300 -0.118 0.000 1.018 540 R CA -0.854 55.040 56.100 -0.344 0.000 0.899 540 R CB 1.143 31.073 30.300 -0.616 0.000 1.181 540 R HN 0.450 nan 8.270 nan 0.000 0.444 541 N N 2.499 121.174 118.700 -0.040 0.000 2.405 541 N HA 0.057 4.796 4.740 -0.000 0.000 0.260 541 N C -0.397 175.126 175.510 0.021 0.000 1.152 541 N CA -0.152 52.917 53.050 0.031 0.000 0.948 541 N CB 0.786 39.334 38.487 0.101 0.000 1.111 541 N HN 0.558 nan 8.380 nan 0.000 0.485 542 N N 0.464 119.166 118.700 0.003 0.000 2.336 542 N HA -0.015 4.725 4.740 -0.000 0.000 0.189 542 N C -0.085 175.381 175.510 -0.073 0.000 1.113 542 N CA 0.086 53.122 53.050 -0.023 0.000 0.858 542 N CB 0.189 38.661 38.487 -0.025 0.000 0.970 542 N HN 0.591 nan 8.380 nan 0.000 0.471 543 S N -0.980 114.706 115.700 -0.024 0.000 2.745 543 S HA 0.339 4.809 4.470 -0.000 0.000 0.292 543 S C -0.016 174.541 174.600 -0.072 0.000 1.133 543 S CA -0.657 57.498 58.200 -0.075 0.000 0.998 543 S CB 0.697 63.954 63.200 0.095 0.000 1.087 543 S HN 0.215 nan 8.310 nan 0.000 0.551 544 H N 0.567 119.664 119.070 0.044 0.000 2.672 544 H HA 0.427 4.983 4.556 -0.000 0.000 0.262 544 H C -0.625 174.681 175.328 -0.037 0.000 1.577 544 H CA -0.335 55.719 56.048 0.009 0.000 1.183 544 H CB -0.619 29.146 29.762 0.005 0.000 1.546 544 H HN 0.566 nan 8.280 nan 0.000 0.502 545 N N 0.324 119.028 118.700 0.007 0.000 2.416 545 N HA 0.340 5.079 4.740 -0.000 0.000 0.276 545 N C -0.833 174.499 175.510 -0.297 0.000 1.261 545 N CA -1.144 51.785 53.050 -0.201 0.000 0.790 545 N CB 1.859 40.089 38.487 -0.427 0.000 1.554 545 N HN 0.092 nan 8.380 nan 0.000 0.481 546 R N 1.119 121.419 120.500 -0.334 0.000 2.441 546 R HA 0.393 4.733 4.340 -0.000 0.000 0.284 546 R C -1.178 174.859 176.300 -0.437 0.000 1.070 546 R CA -0.002 55.953 56.100 -0.241 0.000 1.047 546 R CB 0.278 30.489 30.300 -0.149 0.000 1.016 546 R HN 0.582 nan 8.270 nan 0.000 0.477 547 Y N -0.772 119.510 120.300 -0.030 0.000 2.562 547 Y HA 0.316 4.866 4.550 -0.000 0.000 0.345 547 Y C -0.050 175.811 175.900 -0.067 0.000 1.045 547 Y CA -0.625 57.450 58.100 -0.042 0.000 1.028 547 Y CB 2.507 40.942 38.460 -0.043 0.000 1.297 547 Y HN 0.468 nan 8.280 nan 0.000 0.463 548 T N 3.602 118.254 114.554 0.162 0.000 2.876 548 T HA 0.839 5.189 4.350 -0.000 0.000 0.289 548 T C -0.849 173.843 174.700 -0.014 0.000 1.014 548 T CA -0.663 61.452 62.100 0.025 0.000 0.986 548 T CB 1.418 70.293 68.868 0.011 0.000 1.021 548 T HN 0.394 nan 8.240 nan 0.000 0.458 549 I N 1.382 121.890 120.570 -0.103 0.000 2.656 549 I HA 0.416 4.586 4.170 -0.000 0.000 0.292 549 I C -0.646 175.382 176.117 -0.148 0.000 1.144 549 I CA -1.007 60.214 61.300 -0.131 0.000 1.038 549 I CB 2.691 40.546 38.000 -0.242 0.000 1.244 549 I HN 0.529 nan 8.210 nan 0.000 0.420 550 T N 4.080 118.569 114.554 -0.109 0.000 2.772 550 T HA 0.691 5.041 4.350 -0.000 0.000 0.288 550 T C -0.093 174.447 174.700 -0.266 0.000 0.994 550 T CA -0.532 61.445 62.100 -0.205 0.000 0.951 550 T CB 1.482 70.241 68.868 -0.182 0.000 0.933 550 T HN 0.690 nan 8.240 nan 0.000 0.447 551 A N 3.358 125.995 122.820 -0.305 0.000 2.320 551 A HA 0.866 5.186 4.320 -0.000 0.000 0.334 551 A C -1.430 175.775 177.584 -0.632 0.000 1.147 551 A CA -0.759 51.169 52.037 -0.182 0.000 0.820 551 A CB 0.787 19.985 19.000 0.330 0.000 1.218 551 A HN 0.775 nan 8.150 nan 0.000 0.482 552 Y N -0.131 120.047 120.300 -0.204 0.000 2.512 552 Y HA 0.633 5.183 4.550 -0.000 0.000 0.348 552 Y C -0.411 175.330 175.900 -0.265 0.000 0.990 552 Y CA -0.862 57.068 58.100 -0.282 0.000 1.033 552 Y CB 2.111 40.460 38.460 -0.184 0.000 1.259 552 Y HN 0.636 nan 8.280 nan 0.000 0.461 553 L N 2.467 123.606 121.223 -0.140 0.000 2.372 553 L HA 0.608 4.948 4.340 -0.000 0.000 0.274 553 L C -0.857 175.982 176.870 -0.052 0.000 0.988 553 L CA -0.361 54.411 54.840 -0.115 0.000 0.833 553 L CB 1.397 43.364 42.059 -0.153 0.000 1.236 553 L HN 0.692 nan 8.230 nan 0.000 0.410 554 S N 3.960 119.668 115.700 0.012 0.000 2.437 554 S HA 0.785 5.255 4.470 -0.000 0.000 0.305 554 S C -0.306 174.304 174.600 0.017 0.000 1.109 554 S CA -0.344 57.865 58.200 0.015 0.000 1.099 554 S CB 1.317 64.554 63.200 0.062 0.000 1.004 554 S HN 0.728 nan 8.310 nan 0.000 0.475 555 A N 5.278 128.009 122.820 -0.149 0.000 2.431 555 A HA 0.588 4.908 4.320 -0.000 0.000 0.318 555 A C -0.408 176.937 177.584 -0.398 0.000 1.330 555 A CA -0.817 50.994 52.037 -0.377 0.000 0.804 555 A CB 0.084 18.730 19.000 -0.589 0.000 1.135 555 A HN 0.828 nan 8.150 nan 0.000 0.483 556 N N 0.487 119.151 118.700 -0.061 0.000 2.482 556 N HA 0.623 5.363 4.740 -0.000 0.000 0.279 556 N C -0.761 174.934 175.510 0.308 0.000 1.182 556 N CA -0.293 52.868 53.050 0.185 0.000 0.969 556 N CB 1.356 39.959 38.487 0.194 0.000 1.201 556 N HN 0.579 nan 8.380 nan 0.000 0.523 557 I N 0.868 121.589 120.570 0.251 0.000 2.330 557 I HA 0.264 4.434 4.170 -0.000 0.000 0.289 557 I C -0.002 176.116 176.117 0.003 0.000 1.001 557 I CA -0.304 61.041 61.300 0.075 0.000 1.193 557 I CB 0.869 38.878 38.000 0.016 0.000 1.345 557 I HN 0.603 nan 8.210 nan 0.000 0.461 558 T N 2.505 117.044 114.554 -0.025 0.000 2.930 558 T HA 0.598 4.948 4.350 -0.000 0.000 0.290 558 T C -0.382 174.253 174.700 -0.108 0.000 1.052 558 T CA -0.680 61.403 62.100 -0.028 0.000 1.017 558 T CB 1.372 70.269 68.868 0.049 0.000 1.137 558 T HN 0.067 nan 8.240 nan 0.000 0.511 559 F N 1.319 121.245 119.950 -0.039 0.000 2.371 559 F HA 0.306 4.833 4.527 -0.000 0.000 0.329 559 F C 1.666 177.419 175.800 -0.079 0.000 1.107 559 F CA -0.945 57.034 58.000 -0.035 0.000 1.137 559 F CB 0.523 39.456 39.000 -0.112 0.000 1.214 559 F HN 0.843 nan 8.300 nan 0.000 0.536 560 Y N -0.630 119.735 120.300 0.109 0.000 2.446 560 Y HA -0.196 4.354 4.550 -0.000 0.000 0.287 560 Y C 1.842 177.644 175.900 -0.164 0.000 1.159 560 Y CA 1.216 59.310 58.100 -0.009 0.000 1.297 560 Y CB -1.676 36.769 38.460 -0.025 0.000 0.974 560 Y HN 0.542 nan 8.280 nan 0.000 0.557 561 T N -3.028 110.977 114.554 -0.915 0.000 3.252 561 T HA 0.440 4.789 4.350 -0.000 0.000 0.250 561 T C 1.669 175.946 174.700 -0.705 0.000 1.123 561 T CA 0.392 61.658 62.100 -1.389 0.000 1.006 561 T CB -0.583 67.041 68.868 -2.073 0.000 0.992 561 T HN 0.906 nan 8.240 nan 0.000 0.547 562 G N 0.755 109.386 108.800 -0.283 0.000 2.347 562 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.247 562 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.247 562 G C 0.225 175.078 174.900 -0.078 0.000 1.037 562 G CA -0.067 44.943 45.100 -0.151 0.000 0.622 562 G HN 0.729 nan 8.290 nan 0.000 0.521 563 V N 4.863 124.713 119.914 -0.106 0.000 2.506 563 V HA 0.265 4.384 4.120 -0.000 0.000 0.296 563 V C -0.851 175.424 176.094 0.302 0.000 1.004 563 V CA 0.133 62.443 62.300 0.017 0.000 1.150 563 V CB 0.666 32.357 31.823 -0.220 0.000 0.911 563 V HN 0.424 nan 8.190 nan 0.000 0.476 564 P HA 0.218 nan 4.420 nan 0.000 0.282 564 P C -0.118 177.316 177.300 0.223 0.000 1.249 564 P CA -0.536 62.679 63.100 0.191 0.000 0.806 564 P CB 1.687 33.483 31.700 0.160 0.000 0.984 565 K N 1.357 121.825 120.400 0.114 0.000 2.399 565 K HA 0.421 4.741 4.320 -0.000 0.000 0.196 565 K C -0.118 176.527 176.600 0.076 0.000 1.103 565 K CA 0.057 56.398 56.287 0.090 0.000 0.986 565 K CB 0.609 33.051 32.500 -0.096 0.000 0.952 565 K HN 0.622 nan 8.250 nan 0.000 0.541 566 A N 0.942 123.816 122.820 0.091 0.000 2.586 566 A HA 0.191 4.511 4.320 -0.000 0.000 0.296 566 A C -1.854 175.830 177.584 0.168 0.000 1.040 566 A CA -0.725 51.379 52.037 0.113 0.000 0.701 566 A CB 1.015 20.075 19.000 0.101 0.000 1.277 566 A HN 0.176 nan 8.150 nan 0.000 0.413 567 E N 1.560 121.840 120.200 0.134 0.000 2.014 567 E HA 0.450 4.800 4.350 -0.000 0.000 0.275 567 E C 0.188 176.853 176.600 0.107 0.000 0.997 567 E CA -0.601 55.854 56.400 0.093 0.000 0.804 567 E CB 0.079 29.799 29.700 0.033 0.000 1.090 567 E HN 0.679 nan 8.360 nan 0.000 0.401 568 F N 3.475 123.464 119.950 0.065 0.000 2.780 568 F HA 0.360 4.887 4.527 -0.000 0.000 0.299 568 F C 0.097 175.948 175.800 0.086 0.000 1.146 568 F CA -0.273 57.776 58.000 0.082 0.000 1.428 568 F CB 0.223 39.296 39.000 0.121 0.000 1.115 568 F HN 0.095 nan 8.300 nan 0.000 0.583 569 K N 0.734 120.913 120.400 -0.369 0.000 2.569 569 K HA 0.321 4.641 4.320 -0.000 0.000 0.259 569 K C -1.685 174.802 176.600 -0.188 0.000 0.932 569 K CA -0.753 55.387 56.287 -0.244 0.000 0.833 569 K CB 2.189 34.514 32.500 -0.291 0.000 1.340 569 K HN 0.062 nan 8.250 nan 0.000 0.429 570 K N 3.117 123.457 120.400 -0.099 0.000 2.578 570 K HA 0.277 4.597 4.320 -0.000 0.000 0.250 570 K C -1.067 175.482 176.600 -0.085 0.000 0.955 570 K CA -0.506 55.733 56.287 -0.080 0.000 0.825 570 K CB 1.333 33.803 32.500 -0.049 0.000 1.151 570 K HN 0.454 nan 8.250 nan 0.000 0.432 571 E N 1.209 121.324 120.200 -0.141 0.000 2.334 571 E HA 0.512 4.862 4.350 -0.000 0.000 0.256 571 E C -0.922 175.427 176.600 -0.419 0.000 0.958 571 E CA -0.733 55.519 56.400 -0.247 0.000 0.821 571 E CB 2.275 31.803 29.700 -0.287 0.000 1.269 571 E HN 0.749 nan 8.360 nan 0.000 0.413 572 T N -0.711 113.455 114.554 -0.645 0.000 3.012 572 T HA 0.636 4.986 4.350 -0.000 0.000 0.330 572 T C -1.021 173.279 174.700 -0.667 0.000 1.321 572 T CA -0.763 60.903 62.100 -0.723 0.000 1.067 572 T CB 0.366 68.993 68.868 -0.402 0.000 1.235 572 T HN 0.230 nan 8.240 nan 0.000 0.479 573 F N -0.059 119.757 119.950 -0.223 0.000 2.613 573 F HA 0.702 5.228 4.527 -0.000 0.000 0.314 573 F C -0.510 175.160 175.800 -0.216 0.000 1.075 573 F CA -1.276 56.630 58.000 -0.157 0.000 0.945 573 F CB 1.840 40.794 39.000 -0.076 0.000 1.310 573 F HN 0.520 nan 8.300 nan 0.000 0.467 574 D N 1.587 122.003 120.400 0.027 0.000 2.696 574 D HA 0.576 5.216 4.640 -0.000 0.000 0.251 574 D C -1.186 175.048 176.300 -0.109 0.000 1.188 574 D CA -0.022 53.931 54.000 -0.078 0.000 0.876 574 D CB 2.647 43.407 40.800 -0.067 0.000 1.334 574 D HN 0.366 nan 8.370 nan 0.000 0.540 575 V N -0.215 119.577 119.914 -0.203 0.000 2.960 575 V HA 0.791 4.911 4.120 -0.000 0.000 0.315 575 V C -0.020 175.968 176.094 -0.178 0.000 1.087 575 V CA -0.628 61.519 62.300 -0.255 0.000 0.982 575 V CB 2.112 33.605 31.823 -0.550 0.000 1.039 575 V HN 0.430 nan 8.190 nan 0.000 0.437 576 T N 3.822 118.298 114.554 -0.130 0.000 2.847 576 T HA 0.671 5.021 4.350 -0.000 0.000 0.291 576 T C -0.932 173.739 174.700 -0.047 0.000 0.998 576 T CA -0.133 61.927 62.100 -0.067 0.000 0.967 576 T CB 1.093 69.933 68.868 -0.047 0.000 0.954 576 T HN 0.486 nan 8.240 nan 0.000 0.441 577 L N 4.078 125.299 121.223 -0.005 0.000 2.277 577 L HA 0.486 4.826 4.340 -0.000 0.000 0.284 577 L C 0.387 177.281 176.870 0.040 0.000 1.028 577 L CA -0.604 54.254 54.840 0.030 0.000 0.835 577 L CB 0.800 42.901 42.059 0.070 0.000 1.215 577 L HN 0.523 nan 8.230 nan 0.000 0.425 578 E N 4.179 124.393 120.200 0.023 0.000 2.397 578 E HA 0.299 4.649 4.350 -0.000 0.000 0.254 578 E C -2.266 174.352 176.600 0.031 0.000 1.231 578 E CA -1.690 54.716 56.400 0.010 0.000 0.954 578 E CB -0.311 29.398 29.700 0.015 0.000 1.024 578 E HN 0.275 nan 8.360 nan 0.000 0.481 579 P HA 0.013 nan 4.420 nan 0.000 0.267 579 P C -0.630 176.721 177.300 0.084 0.000 1.200 579 P CA 0.100 63.239 63.100 0.065 0.000 0.772 579 P CB 0.264 32.012 31.700 0.080 0.000 0.855 580 L N -0.010 121.266 121.223 0.088 0.000 3.565 580 L HA -0.232 4.108 4.340 -0.000 0.000 0.574 580 L C 0.381 177.307 176.870 0.093 0.000 1.024 580 L CA 0.682 55.571 54.840 0.083 0.000 1.050 580 L CB -1.824 40.300 42.059 0.110 0.000 1.049 580 L HN 0.445 nan 8.230 nan 0.000 0.689 581 S N 1.084 116.843 115.700 0.098 0.000 2.611 581 S HA 0.786 5.256 4.470 -0.000 0.000 0.268 581 S C -1.134 173.560 174.600 0.157 0.000 1.156 581 S CA -0.739 57.541 58.200 0.133 0.000 0.817 581 S CB 1.338 64.599 63.200 0.101 0.000 1.122 581 S HN 0.265 nan 8.310 nan 0.000 0.466 582 F N 1.527 121.506 119.950 0.049 0.000 2.572 582 F HA 0.848 5.375 4.527 -0.000 0.000 0.342 582 F C -0.242 175.599 175.800 0.069 0.000 1.064 582 F CA -0.353 57.684 58.000 0.061 0.000 1.008 582 F CB 1.664 40.691 39.000 0.045 0.000 1.303 582 F HN 0.641 nan 8.300 nan 0.000 0.492 583 K N 1.830 122.370 120.400 0.234 0.000 2.600 583 K HA 0.324 4.644 4.320 -0.000 0.000 0.262 583 K C -2.028 174.748 176.600 0.293 0.000 0.935 583 K CA -0.817 55.610 56.287 0.234 0.000 0.866 583 K CB 1.727 34.302 32.500 0.124 0.000 1.354 583 K HN 0.485 nan 8.250 nan 0.000 0.419 584 K N 2.622 123.170 120.400 0.246 0.000 2.668 584 K HA 0.253 4.573 4.320 -0.000 0.000 0.246 584 K C -1.168 175.473 176.600 0.069 0.000 0.976 584 K CA -0.985 55.413 56.287 0.185 0.000 0.902 584 K CB 1.776 34.398 32.500 0.203 0.000 1.172 584 K HN 0.279 nan 8.250 nan 0.000 0.452 585 E N 1.843 122.055 120.200 0.020 0.000 2.259 585 E HA 0.366 4.716 4.350 -0.000 0.000 0.281 585 E C -0.544 175.968 176.600 -0.146 0.000 1.027 585 E CA -0.382 55.910 56.400 -0.180 0.000 0.838 585 E CB 1.676 31.070 29.700 -0.510 0.000 1.066 585 E HN 0.652 nan 8.360 nan 0.000 0.401 586 A N 2.485 125.227 122.820 -0.130 0.000 2.337 586 A HA 0.622 4.942 4.320 -0.000 0.000 0.329 586 A C -0.715 176.826 177.584 -0.072 0.000 1.146 586 A CA -0.759 51.238 52.037 -0.067 0.000 0.800 586 A CB 1.420 20.401 19.000 -0.032 0.000 1.220 586 A HN 0.365 nan 8.150 nan 0.000 0.472 587 V N 3.632 123.526 119.914 -0.034 0.000 2.686 587 V HA 0.687 4.807 4.120 -0.000 0.000 0.306 587 V C -1.378 174.698 176.094 -0.031 0.000 1.065 587 V CA -0.687 61.609 62.300 -0.008 0.000 0.894 587 V CB 1.542 33.400 31.823 0.059 0.000 1.004 587 V HN 0.991 nan 8.190 nan 0.000 0.424 588 L N 7.233 128.441 121.223 -0.026 0.000 2.272 588 L HA 0.607 4.947 4.340 -0.000 0.000 0.289 588 L C -0.557 176.267 176.870 -0.076 0.000 1.032 588 L CA -0.529 54.279 54.840 -0.052 0.000 0.810 588 L CB 1.128 43.177 42.059 -0.016 0.000 1.205 588 L HN 0.614 nan 8.230 nan 0.000 0.422 589 I N 4.373 124.818 120.570 -0.208 0.000 2.337 589 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 589 I C 0.224 176.310 176.117 -0.051 0.000 1.046 589 I CA -0.194 61.011 61.300 -0.159 0.000 1.324 589 I CB 0.859 38.601 38.000 -0.430 0.000 1.409 589 I HN 0.693 nan 8.210 nan 0.000 0.494 590 Q N 4.278 124.107 119.800 0.049 0.000 2.297 590 Q HA 0.300 4.640 4.340 -0.000 0.000 0.267 590 Q C 1.088 177.106 176.000 0.030 0.000 1.006 590 Q CA 0.019 55.847 55.803 0.043 0.000 0.896 590 Q CB 1.390 30.147 28.738 0.033 0.000 1.186 590 Q HN 0.759 nan 8.270 nan 0.000 0.392 591 A N 3.330 126.135 122.820 -0.024 0.000 2.234 591 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 591 A C 1.595 178.867 177.584 -0.520 0.000 1.167 591 A CA 1.550 53.374 52.037 -0.355 0.000 0.698 591 A CB -0.578 18.333 19.000 -0.148 0.000 0.779 591 A HN 0.901 nan 8.150 nan 0.000 0.475 592 G N -1.356 107.315 108.800 -0.216 0.000 2.511 592 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.217 592 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.217 592 G C 1.446 176.285 174.900 -0.101 0.000 1.133 592 G CA 0.725 45.735 45.100 -0.150 0.000 0.792 592 G HN 0.412 nan 8.290 nan 0.000 0.539 593 E N 0.340 120.523 120.200 -0.028 0.000 2.042 593 E HA -0.030 4.320 4.350 -0.000 0.000 0.189 593 E C 2.222 178.870 176.600 0.080 0.000 0.974 593 E CA 0.736 57.207 56.400 0.119 0.000 0.806 593 E CB -0.298 29.603 29.700 0.335 0.000 0.769 593 E HN 0.588 nan 8.360 nan 0.000 0.451 594 Y N -0.555 119.698 120.300 -0.078 0.000 2.243 594 Y HA 0.013 4.563 4.550 -0.000 0.000 0.293 594 Y C 2.212 178.005 175.900 -0.177 0.000 1.124 594 Y CA 0.909 58.783 58.100 -0.376 0.000 1.159 594 Y CB -0.885 37.135 38.460 -0.733 0.000 1.008 594 Y HN -0.100 nan 8.280 nan 0.000 0.527 595 M N 1.900 121.205 119.600 -0.492 0.000 2.082 595 M HA -0.079 4.401 4.480 -0.000 0.000 0.258 595 M C 2.410 178.667 176.300 -0.072 0.000 1.069 595 M CA 2.062 57.225 55.300 -0.229 0.000 1.102 595 M CB -1.272 31.114 32.600 -0.355 0.000 1.336 595 M HN 0.518 nan 8.290 nan 0.000 0.404 596 G N -0.609 108.140 108.800 -0.084 0.000 2.503 596 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.221 596 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.221 596 G C 0.917 175.810 174.900 -0.011 0.000 1.131 596 G CA 1.319 46.399 45.100 -0.033 0.000 0.756 596 G HN 0.706 nan 8.290 nan 0.000 0.572 597 Q N -0.663 119.134 119.800 -0.004 0.000 2.139 597 Q HA 0.508 4.848 4.340 -0.000 0.000 0.301 597 Q C -0.160 175.819 176.000 -0.036 0.000 0.874 597 Q CA -0.482 55.314 55.803 -0.011 0.000 1.116 597 Q CB -0.017 28.724 28.738 0.005 0.000 1.278 597 Q HN 0.243 nan 8.270 nan 0.000 0.426 598 L N 1.279 122.491 121.223 -0.018 0.000 2.467 598 L HA 0.260 4.600 4.340 -0.000 0.000 0.270 598 L C 0.147 176.967 176.870 -0.084 0.000 1.205 598 L CA -0.199 54.616 54.840 -0.041 0.000 0.828 598 L CB 0.597 42.671 42.059 0.025 0.000 1.101 598 L HN 0.349 nan 8.230 nan 0.000 0.479 599 L N 1.251 122.391 121.223 -0.138 0.000 2.400 599 L HA 0.152 4.492 4.340 -0.000 0.000 0.264 599 L C 1.536 178.362 176.870 -0.073 0.000 1.061 599 L CA -0.419 54.312 54.840 -0.182 0.000 0.799 599 L CB 1.071 42.890 42.059 -0.399 0.000 1.240 599 L HN 0.712 nan 8.230 nan 0.000 0.461 600 E N -0.228 119.963 120.200 -0.016 0.000 2.136 600 E HA -0.327 4.023 4.350 -0.000 0.000 0.202 600 E C 1.005 177.594 176.600 -0.019 0.000 1.019 600 E CA 1.797 58.226 56.400 0.049 0.000 0.819 600 E CB -0.164 29.640 29.700 0.174 0.000 0.739 600 E HN 0.635 nan 8.360 nan 0.000 0.458 601 Q N -0.104 119.660 119.800 -0.060 0.000 2.246 601 Q HA 0.323 4.663 4.340 -0.000 0.000 0.202 601 Q C 0.227 176.200 176.000 -0.044 0.000 0.883 601 Q CA 0.267 55.980 55.803 -0.149 0.000 0.952 601 Q CB 0.764 29.375 28.738 -0.212 0.000 1.078 601 Q HN 0.482 nan 8.270 nan 0.000 0.493 602 A N 1.064 123.862 122.820 -0.037 0.000 2.783 602 A HA -0.200 4.120 4.320 -0.000 0.000 0.292 602 A C 0.345 177.893 177.584 -0.060 0.000 1.495 602 A CA 0.684 52.691 52.037 -0.050 0.000 0.787 602 A CB -2.206 16.771 19.000 -0.038 0.000 1.017 602 A HN 0.416 nan 8.150 nan 0.000 0.516 603 S N -1.155 114.528 115.700 -0.028 0.000 2.562 603 S HA 0.813 5.282 4.470 -0.000 0.000 0.275 603 S C -0.400 174.191 174.600 -0.014 0.000 1.281 603 S CA -0.728 57.482 58.200 0.016 0.000 1.045 603 S CB 2.040 65.289 63.200 0.082 0.000 0.962 603 S HN 0.898 nan 8.310 nan 0.000 0.503 604 L N 1.759 122.995 121.223 0.021 0.000 2.445 604 L HA 0.506 4.845 4.340 -0.000 0.000 0.262 604 L C -0.578 176.292 176.870 -0.001 0.000 0.974 604 L CA -0.347 54.484 54.840 -0.014 0.000 0.822 604 L CB 2.020 44.065 42.059 -0.023 0.000 1.339 604 L HN 0.972 nan 8.230 nan 0.000 0.409 605 H N 2.516 121.432 119.070 -0.256 0.000 2.600 605 H HA 0.569 5.125 4.556 -0.000 0.000 0.357 605 H C -1.700 173.329 175.328 -0.499 0.000 1.106 605 H CA -0.461 55.438 56.048 -0.248 0.000 1.193 605 H CB 1.576 31.285 29.762 -0.089 0.000 1.594 605 H HN 0.390 nan 8.280 nan 0.000 0.526 606 F N 3.919 123.657 119.950 -0.352 0.000 2.520 606 F HA 0.380 4.907 4.527 -0.000 0.000 0.322 606 F C -0.801 174.764 175.800 -0.392 0.000 1.103 606 F CA -0.683 57.205 58.000 -0.187 0.000 0.926 606 F CB 1.339 40.455 39.000 0.193 0.000 1.154 606 F HN 0.346 nan 8.300 nan 0.000 0.453 607 F N 2.184 122.067 119.950 -0.112 0.000 2.507 607 F HA 0.662 5.189 4.527 -0.000 0.000 0.325 607 F C -0.526 175.174 175.800 -0.167 0.000 1.116 607 F CA -1.273 56.666 58.000 -0.100 0.000 0.930 607 F CB 2.126 41.091 39.000 -0.059 0.000 1.146 607 F HN 0.231 nan 8.300 nan 0.000 0.447 608 V N 1.405 121.325 119.914 0.010 0.000 2.398 608 V HA 0.649 4.769 4.120 -0.000 0.000 0.282 608 V C -0.522 175.548 176.094 -0.039 0.000 1.014 608 V CA -0.312 61.890 62.300 -0.162 0.000 0.838 608 V CB 0.850 32.337 31.823 -0.559 0.000 1.018 608 V HN 0.782 nan 8.190 nan 0.000 0.432 609 T N 3.566 118.130 114.554 0.017 0.000 2.944 609 T HA 0.916 5.266 4.350 -0.000 0.000 0.284 609 T C -0.165 174.615 174.700 0.134 0.000 1.010 609 T CA 0.174 62.284 62.100 0.018 0.000 1.025 609 T CB 1.635 70.474 68.868 -0.048 0.000 1.079 609 T HN 2.348 nan 8.240 nan 0.000 0.516 610 A N 2.745 125.636 122.820 0.118 0.000 2.530 610 A HA 0.611 4.931 4.320 -0.000 0.000 0.297 610 A C -0.660 176.991 177.584 0.112 0.000 1.059 610 A CA -0.817 51.328 52.037 0.180 0.000 0.782 610 A CB 1.203 20.355 19.000 0.254 0.000 1.301 610 A HN 0.981 nan 8.150 nan 0.000 0.394 611 R N 2.669 123.243 120.500 0.124 0.000 2.428 611 R HA 0.600 4.940 4.340 -0.000 0.000 0.294 611 R C -0.887 175.421 176.300 0.014 0.000 1.000 611 R CA -0.737 55.401 56.100 0.063 0.000 0.960 611 R CB 0.586 30.940 30.300 0.091 0.000 1.076 611 R HN 0.569 nan 8.270 nan 0.000 0.475 612 I N 5.490 126.047 120.570 -0.020 0.000 2.269 612 I HA 0.026 4.196 4.170 -0.000 0.000 0.293 612 I C 0.805 176.920 176.117 -0.003 0.000 1.106 612 I CA -0.295 60.970 61.300 -0.057 0.000 1.248 612 I CB 0.365 38.269 38.000 -0.160 0.000 1.444 612 I HN 0.733 nan 8.210 nan 0.000 0.497 613 N N 4.625 123.338 118.700 0.022 0.000 2.069 613 N HA -0.246 4.494 4.740 -0.000 0.000 0.196 613 N C 1.357 176.903 175.510 0.059 0.000 1.024 613 N CA 1.819 54.892 53.050 0.039 0.000 0.869 613 N CB 0.187 38.693 38.487 0.033 0.000 1.035 613 N HN 0.520 nan 8.380 nan 0.000 0.434 614 E N -0.553 119.713 120.200 0.110 0.000 2.047 614 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 614 E C 2.106 178.771 176.600 0.109 0.000 0.987 614 E CA 1.687 58.163 56.400 0.128 0.000 0.799 614 E CB -0.516 29.310 29.700 0.210 0.000 0.752 614 E HN 0.617 nan 8.360 nan 0.000 0.449 615 T N -2.513 112.102 114.554 0.102 0.000 3.067 615 T HA 0.172 4.522 4.350 -0.000 0.000 0.257 615 T C 0.600 175.314 174.700 0.022 0.000 1.105 615 T CA 0.327 62.461 62.100 0.056 0.000 1.104 615 T CB 0.042 68.919 68.868 0.015 0.000 0.925 615 T HN 0.084 nan 8.240 nan 0.000 0.498 616 R N 0.347 120.857 120.500 0.016 0.000 3.892 616 R HA -0.104 4.236 4.340 -0.000 0.000 0.441 616 R C -1.019 175.279 176.300 -0.004 0.000 1.052 616 R CA 0.948 57.055 56.100 0.010 0.000 1.190 616 R CB -2.549 27.761 30.300 0.016 0.000 1.808 616 R HN 0.392 nan 8.270 nan 0.000 0.538 617 D N 0.972 121.356 120.400 -0.026 0.000 2.417 617 D HA 0.174 4.814 4.640 -0.000 0.000 0.250 617 D C 0.110 176.386 176.300 -0.039 0.000 1.166 617 D CA 0.324 54.299 54.000 -0.041 0.000 0.881 617 D CB 0.929 41.684 40.800 -0.076 0.000 1.164 617 D HN -0.096 nan 8.370 nan 0.000 0.467 618 V N 3.924 123.817 119.914 -0.035 0.000 2.439 618 V HA 0.250 4.370 4.120 -0.000 0.000 0.282 618 V C -0.018 176.031 176.094 -0.075 0.000 1.039 618 V CA -0.729 61.544 62.300 -0.044 0.000 0.913 618 V CB 1.388 33.182 31.823 -0.047 0.000 0.983 618 V HN 0.265 nan 8.190 nan 0.000 0.460 619 L N 4.869 126.048 121.223 -0.073 0.000 2.319 619 L HA 0.814 5.153 4.340 -0.000 0.000 0.281 619 L C 0.203 176.984 176.870 -0.148 0.000 1.005 619 L CA -0.296 54.489 54.840 -0.090 0.000 0.828 619 L CB 1.342 43.386 42.059 -0.024 0.000 1.227 619 L HN 0.773 nan 8.230 nan 0.000 0.415 620 A N 3.566 126.215 122.820 -0.285 0.000 2.365 620 A HA 0.980 5.300 4.320 -0.000 0.000 0.318 620 A C -0.615 176.825 177.584 -0.241 0.000 1.091 620 A CA -0.592 51.196 52.037 -0.415 0.000 0.763 620 A CB 1.665 19.960 19.000 -1.175 0.000 1.248 620 A HN 0.418 nan 8.150 nan 0.000 0.442 621 K N 1.041 121.414 120.400 -0.045 0.000 2.557 621 K HA 0.372 4.692 4.320 -0.000 0.000 0.257 621 K C -1.530 175.224 176.600 0.257 0.000 0.933 621 K CA -0.240 56.114 56.287 0.112 0.000 0.820 621 K CB 2.097 34.710 32.500 0.188 0.000 1.330 621 K HN 1.037 nan 8.250 nan 0.000 0.432 622 Q N 1.526 121.435 119.800 0.181 0.000 2.389 622 Q HA 0.692 5.032 4.340 -0.000 0.000 0.277 622 Q C -1.094 174.957 176.000 0.085 0.000 1.082 622 Q CA -1.036 54.814 55.803 0.078 0.000 0.810 622 Q CB 3.038 31.584 28.738 -0.321 0.000 1.374 622 Q HN 0.350 nan 8.270 nan 0.000 0.422 623 K N 0.584 121.096 120.400 0.186 0.000 2.522 623 K HA 0.673 4.993 4.320 -0.000 0.000 0.275 623 K C -1.286 175.571 176.600 0.429 0.000 1.006 623 K CA -0.868 55.551 56.287 0.221 0.000 0.890 623 K CB 2.582 35.043 32.500 -0.064 0.000 1.475 623 K HN 0.757 nan 8.250 nan 0.000 0.441 624 S N -0.122 115.879 115.700 0.502 0.000 2.599 624 S HA 0.645 5.115 4.470 -0.000 0.000 0.294 624 S C -1.073 173.738 174.600 0.352 0.000 1.094 624 S CA -0.724 57.763 58.200 0.478 0.000 0.931 624 S CB 2.172 65.682 63.200 0.518 0.000 1.093 624 S HN 0.499 nan 8.310 nan 0.000 0.488 625 T N 1.565 116.284 114.554 0.275 0.000 2.952 625 T HA 0.594 4.943 4.350 -0.000 0.000 0.305 625 T C -0.977 173.754 174.700 0.052 0.000 1.064 625 T CA -0.622 61.578 62.100 0.166 0.000 1.008 625 T CB 1.409 70.433 68.868 0.260 0.000 1.078 625 T HN 0.661 nan 8.240 nan 0.000 0.459 626 V N 1.986 121.888 119.914 -0.020 0.000 2.628 626 V HA 0.729 4.849 4.120 -0.000 0.000 0.306 626 V C -0.434 175.580 176.094 -0.132 0.000 1.045 626 V CA -1.109 61.158 62.300 -0.056 0.000 0.905 626 V CB 1.304 33.103 31.823 -0.040 0.000 0.997 626 V HN 0.776 nan 8.190 nan 0.000 0.436 627 L N 3.152 124.285 121.223 -0.150 0.000 2.305 627 L HA 0.396 4.735 4.340 -0.000 0.000 0.281 627 L C 0.753 177.564 176.870 -0.099 0.000 1.085 627 L CA -0.110 54.623 54.840 -0.178 0.000 0.813 627 L CB 1.370 43.316 42.059 -0.187 0.000 1.157 627 L HN 0.777 nan 8.230 nan 0.000 0.436 628 T N 4.418 118.914 114.554 -0.097 0.000 2.817 628 T HA 0.312 4.662 4.350 -0.000 0.000 0.295 628 T C -0.029 174.662 174.700 -0.015 0.000 0.958 628 T CA -0.207 61.858 62.100 -0.057 0.000 1.157 628 T CB -0.133 68.700 68.868 -0.059 0.000 0.898 628 T HN 0.245 nan 8.240 nan 0.000 0.536 629 I N 3.781 124.356 120.570 0.008 0.000 2.392 629 I HA 0.484 4.654 4.170 -0.000 0.000 0.295 629 I C -2.064 174.084 176.117 0.051 0.000 0.985 629 I CA -3.276 58.050 61.300 0.043 0.000 1.221 629 I CB -0.081 37.955 38.000 0.061 0.000 1.366 629 I HN 0.312 nan 8.210 nan 0.000 0.467 630 P HA 0.197 nan 4.420 nan 0.000 0.281 630 P C -0.559 176.806 177.300 0.108 0.000 1.252 630 P CA -0.365 62.772 63.100 0.061 0.000 0.778 630 P CB 0.721 32.439 31.700 0.030 0.000 0.895 631 E N 3.692 123.947 120.200 0.092 0.000 2.392 631 E HA 0.214 4.564 4.350 -0.000 0.000 0.256 631 E C 0.034 176.728 176.600 0.157 0.000 1.145 631 E CA -0.695 55.776 56.400 0.118 0.000 0.929 631 E CB 0.606 30.362 29.700 0.093 0.000 0.998 631 E HN 0.350 nan 8.360 nan 0.000 0.442 632 I N 1.324 121.996 120.570 0.170 0.000 2.581 632 I HA 0.177 4.347 4.170 -0.000 0.000 0.288 632 I C 0.422 176.620 176.117 0.134 0.000 1.047 632 I CA -0.462 60.958 61.300 0.200 0.000 1.374 632 I CB 0.436 38.545 38.000 0.182 0.000 1.423 632 I HN 0.417 nan 8.210 nan 0.000 0.549 633 I N 6.260 126.904 120.570 0.123 0.000 2.377 633 I HA 0.411 4.581 4.170 -0.000 0.000 0.293 633 I C -0.198 175.967 176.117 0.080 0.000 0.987 633 I CA -0.512 60.836 61.300 0.080 0.000 1.185 633 I CB 1.770 39.803 38.000 0.055 0.000 1.341 633 I HN 0.335 nan 8.210 nan 0.000 0.455 634 I N 6.618 127.222 120.570 0.056 0.000 2.474 634 I HA 0.436 4.606 4.170 -0.000 0.000 0.294 634 I C -0.581 175.547 176.117 0.018 0.000 1.005 634 I CA -0.868 60.456 61.300 0.039 0.000 1.113 634 I CB 1.594 39.612 38.000 0.029 0.000 1.289 634 I HN 0.362 nan 8.210 nan 0.000 0.436 635 K N 5.994 126.397 120.400 0.006 0.000 2.507 635 K HA 0.534 4.854 4.320 -0.000 0.000 0.251 635 K C -0.858 175.731 176.600 -0.018 0.000 0.943 635 K CA -0.654 55.631 56.287 -0.002 0.000 0.794 635 K CB 2.796 35.299 32.500 0.005 0.000 1.188 635 K HN 0.496 nan 8.250 nan 0.000 0.428 636 V N 0.171 120.072 119.914 -0.021 0.000 2.834 636 V HA 0.764 4.884 4.120 -0.000 0.000 0.313 636 V C -0.471 175.610 176.094 -0.023 0.000 1.060 636 V CA -0.753 61.529 62.300 -0.030 0.000 0.989 636 V CB 1.409 33.213 31.823 -0.032 0.000 1.041 636 V HN 0.765 nan 8.190 nan 0.000 0.459 637 R N 1.084 121.569 120.500 -0.025 0.000 2.764 637 R HA 0.870 5.209 4.340 -0.000 0.000 0.270 637 R C 0.137 176.426 176.300 -0.018 0.000 1.014 637 R CA 0.198 56.288 56.100 -0.018 0.000 0.904 637 R CB 1.462 31.753 30.300 -0.014 0.000 1.236 637 R HN 1.880 nan 8.270 nan 0.000 0.466 638 G N -0.083 108.709 108.800 -0.013 0.000 2.587 638 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.212 638 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.212 638 G C -0.883 174.010 174.900 -0.012 0.000 1.327 638 G CA -0.482 44.611 45.100 -0.011 0.000 0.898 638 G HN 0.880 nan 8.290 nan 0.000 0.551 639 T N -1.520 113.028 114.554 -0.010 0.000 2.761 639 T HA 0.566 4.916 4.350 -0.000 0.000 0.296 639 T C 0.340 175.032 174.700 -0.013 0.000 0.934 639 T CA 0.005 62.099 62.100 -0.009 0.000 1.091 639 T CB 1.559 70.424 68.868 -0.005 0.000 0.896 639 T HN 0.635 nan 8.240 nan 0.000 0.515 640 Q N 2.224 122.015 119.800 -0.016 0.000 2.835 640 Q HA 0.509 4.849 4.340 -0.000 0.000 0.235 640 Q C -0.941 175.047 176.000 -0.019 0.000 1.313 640 Q CA -0.382 55.408 55.803 -0.021 0.000 1.053 640 Q CB 0.412 29.137 28.738 -0.022 0.000 1.443 640 Q HN 0.556 nan 8.270 nan 0.000 0.576 641 V N 1.148 121.054 119.914 -0.015 0.000 2.888 641 V HA 0.248 4.368 4.120 -0.000 0.000 0.309 641 V C -0.161 175.932 176.094 -0.002 0.000 1.114 641 V CA -1.030 61.265 62.300 -0.009 0.000 0.940 641 V CB 2.465 34.286 31.823 -0.003 0.000 1.021 641 V HN 0.246 nan 8.190 nan 0.000 0.426 642 V N 4.376 124.292 119.914 0.002 0.000 2.625 642 V HA 0.294 4.414 4.120 -0.000 0.000 0.305 642 V C 1.629 177.749 176.094 0.043 0.000 1.055 642 V CA 2.082 64.397 62.300 0.024 0.000 1.209 642 V CB -0.071 31.772 31.823 0.033 0.000 0.877 642 V HN 1.463 nan 8.190 nan 0.000 0.489 643 G N 4.022 112.863 108.800 0.070 0.000 2.347 643 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.247 643 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.247 643 G C 0.459 175.388 174.900 0.048 0.000 1.037 643 G CA 0.280 45.422 45.100 0.069 0.000 0.622 643 G HN 0.802 nan 8.290 nan 0.000 0.521 644 S N 1.449 117.168 115.700 0.031 0.000 2.617 644 S HA 0.524 4.993 4.470 -0.000 0.000 0.269 644 S C -0.084 174.527 174.600 0.020 0.000 1.292 644 S CA -0.525 57.688 58.200 0.020 0.000 1.010 644 S CB 1.281 64.487 63.200 0.009 0.000 0.944 644 S HN 0.365 nan 8.310 nan 0.000 0.536 645 D N 1.316 121.724 120.400 0.015 0.000 2.339 645 D HA 0.372 5.012 4.640 -0.000 0.000 0.245 645 D C -0.211 176.087 176.300 -0.002 0.000 1.115 645 D CA 0.197 54.203 54.000 0.010 0.000 0.917 645 D CB 0.621 41.427 40.800 0.009 0.000 1.192 645 D HN 0.378 nan 8.370 nan 0.000 0.428 646 M N 0.697 120.290 119.600 -0.012 0.000 2.277 646 M HA 0.221 4.701 4.480 -0.000 0.000 0.282 646 M C -1.465 174.813 176.300 -0.037 0.000 1.074 646 M CA -0.410 54.875 55.300 -0.025 0.000 0.954 646 M CB 1.803 34.384 32.600 -0.033 0.000 1.672 646 M HN 0.094 nan 8.290 nan 0.000 0.471 647 T N 4.083 118.615 114.554 -0.037 0.000 2.767 647 T HA 0.547 4.897 4.350 -0.000 0.000 0.288 647 T C -0.529 174.131 174.700 -0.065 0.000 0.963 647 T CA -0.434 61.636 62.100 -0.050 0.000 1.019 647 T CB 0.981 69.828 68.868 -0.034 0.000 0.923 647 T HN 0.471 nan 8.240 nan 0.000 0.468 648 V N 3.665 123.515 119.914 -0.106 0.000 2.547 648 V HA 0.578 4.698 4.120 -0.000 0.000 0.299 648 V C 0.273 176.289 176.094 -0.131 0.000 1.040 648 V CA -0.742 61.485 62.300 -0.122 0.000 0.913 648 V CB 1.940 33.663 31.823 -0.167 0.000 0.992 648 V HN 0.930 nan 8.190 nan 0.000 0.449 649 T N 3.446 117.958 114.554 -0.071 0.000 2.847 649 T HA 0.492 4.842 4.350 -0.000 0.000 0.291 649 T C -0.607 174.111 174.700 0.029 0.000 0.998 649 T CA -0.336 61.753 62.100 -0.019 0.000 0.967 649 T CB 1.553 70.428 68.868 0.012 0.000 0.954 649 T HN 0.340 nan 8.240 nan 0.000 0.441 650 V N 3.623 123.595 119.914 0.097 0.000 2.370 650 V HA 0.443 4.563 4.120 -0.000 0.000 0.283 650 V C 0.031 176.264 176.094 0.231 0.000 1.023 650 V CA -0.566 61.849 62.300 0.191 0.000 0.857 650 V CB 1.447 33.471 31.823 0.335 0.000 0.985 650 V HN 0.842 nan 8.190 nan 0.000 0.443 651 E N 4.269 124.576 120.200 0.179 0.000 2.185 651 E HA 0.469 4.819 4.350 -0.000 0.000 0.261 651 E C -1.800 174.910 176.600 0.183 0.000 0.879 651 E CA -0.588 55.898 56.400 0.144 0.000 0.756 651 E CB 1.431 31.177 29.700 0.077 0.000 1.152 651 E HN 0.504 nan 8.360 nan 0.000 0.416 652 F N 3.005 122.956 119.950 0.001 0.000 2.482 652 F HA 0.439 4.966 4.527 -0.000 0.000 0.331 652 F C -0.884 174.877 175.800 -0.064 0.000 1.115 652 F CA -0.660 57.325 58.000 -0.026 0.000 0.955 652 F CB 1.940 40.920 39.000 -0.033 0.000 1.136 652 F HN 0.188 nan 8.300 nan 0.000 0.452 653 T N 5.342 119.318 114.554 -0.962 0.000 2.947 653 T HA 0.115 4.465 4.350 -0.000 0.000 0.337 653 T C -0.212 173.825 174.700 -1.104 0.000 1.139 653 T CA -0.620 60.992 62.100 -0.814 0.000 0.992 653 T CB -0.179 68.467 68.868 -0.370 0.000 1.043 653 T HN 0.569 nan 8.240 nan 0.000 0.498 654 N N 5.488 123.570 118.700 -1.030 0.000 2.394 654 N HA -0.028 4.712 4.740 -0.000 0.000 0.282 654 N C -1.308 174.054 175.510 -0.246 0.000 1.351 654 N CA -1.629 51.132 53.050 -0.481 0.000 0.936 654 N CB 0.754 39.126 38.487 -0.192 0.000 1.274 654 N HN 0.278 nan 8.380 nan 0.000 0.489 655 P HA 0.005 nan 4.420 nan 0.000 0.253 655 P C 0.113 177.402 177.300 -0.019 0.000 1.281 655 P CA 0.422 63.484 63.100 -0.064 0.000 0.792 655 P CB 0.301 31.995 31.700 -0.010 0.000 1.193 656 L N -0.526 120.690 121.223 -0.012 0.000 2.397 656 L HA 0.375 4.714 4.340 -0.000 0.000 0.266 656 L C 1.302 178.164 176.870 -0.013 0.000 1.040 656 L CA -0.742 54.100 54.840 0.004 0.000 0.800 656 L CB 0.722 42.797 42.059 0.027 0.000 1.324 656 L HN -0.385 nan 8.230 nan 0.000 0.469 657 K N -0.290 120.105 120.400 -0.008 0.000 2.414 657 K HA 0.213 4.533 4.320 -0.000 0.000 0.204 657 K C -0.252 176.343 176.600 -0.009 0.000 1.026 657 K CA 0.057 56.336 56.287 -0.013 0.000 1.108 657 K CB 0.276 32.767 32.500 -0.014 0.000 0.855 657 K HN 0.226 nan 8.250 nan 0.000 0.517 658 E N -0.239 119.959 120.200 -0.003 0.000 2.299 658 E HA 0.323 4.672 4.350 -0.000 0.000 0.260 658 E C -0.808 175.793 176.600 0.003 0.000 0.944 658 E CA -0.453 55.948 56.400 0.001 0.000 0.815 658 E CB 1.654 31.358 29.700 0.007 0.000 1.252 658 E HN -0.118 nan 8.360 nan 0.000 0.418 659 T N 2.157 116.713 114.554 0.004 0.000 2.729 659 T HA 0.326 4.676 4.350 -0.000 0.000 0.296 659 T C 0.465 175.175 174.700 0.017 0.000 0.928 659 T CA -0.336 61.767 62.100 0.004 0.000 1.045 659 T CB -0.045 68.824 68.868 0.001 0.000 0.902 659 T HN 0.207 nan 8.240 nan 0.000 0.500 660 L N 4.531 125.772 121.223 0.029 0.000 2.453 660 L HA 0.307 4.647 4.340 -0.000 0.000 0.272 660 L C 0.963 177.853 176.870 0.034 0.000 1.182 660 L CA -0.287 54.582 54.840 0.048 0.000 0.858 660 L CB 0.264 42.375 42.059 0.088 0.000 1.120 660 L HN 0.395 nan 8.230 nan 0.000 0.474 661 R N 2.081 122.601 120.500 0.033 0.000 2.787 661 R HA 0.295 4.635 4.340 -0.000 0.000 0.271 661 R C -0.216 176.095 176.300 0.018 0.000 0.993 661 R CA -1.277 54.835 56.100 0.021 0.000 0.993 661 R CB 0.548 30.861 30.300 0.023 0.000 1.155 661 R HN 0.512 nan 8.270 nan 0.000 0.486 662 N N -0.452 118.237 118.700 -0.018 0.000 2.678 662 N HA -0.153 4.587 4.740 -0.000 0.000 0.268 662 N C -0.690 174.756 175.510 -0.107 0.000 1.010 662 N CA 0.492 53.492 53.050 -0.082 0.000 0.784 662 N CB -1.195 37.295 38.487 0.006 0.000 0.905 662 N HN 0.301 nan 8.380 nan 0.000 0.552 663 V N -0.090 119.763 119.914 -0.101 0.000 2.614 663 V HA 0.310 4.430 4.120 -0.000 0.000 0.291 663 V C 0.650 176.634 176.094 -0.184 0.000 1.049 663 V CA -0.226 62.056 62.300 -0.029 0.000 1.038 663 V CB 0.606 32.474 31.823 0.074 0.000 0.980 663 V HN 0.342 nan 8.190 nan 0.000 0.481 664 W N 2.559 123.875 121.300 0.026 0.000 2.656 664 W HA 0.691 5.351 4.660 -0.000 0.000 0.327 664 W C -0.796 175.734 176.519 0.019 0.000 1.041 664 W CA -0.572 56.752 57.345 -0.033 0.000 1.229 664 W CB 2.066 31.527 29.460 0.001 0.000 1.397 664 W HN 0.324 nan 8.180 nan 0.000 0.479 665 V N 3.592 123.601 119.914 0.159 0.000 2.628 665 V HA 0.440 4.560 4.120 -0.000 0.000 0.306 665 V C -0.246 175.981 176.094 0.222 0.000 1.045 665 V CA -0.962 61.475 62.300 0.228 0.000 0.905 665 V CB 1.561 33.531 31.823 0.245 0.000 0.997 665 V HN 0.470 nan 8.190 nan 0.000 0.436 666 H N 4.224 123.462 119.070 0.279 0.000 2.538 666 H HA 0.588 5.143 4.556 -0.000 0.000 0.353 666 H C -1.138 174.370 175.328 0.300 0.000 1.109 666 H CA -0.627 55.591 56.048 0.284 0.000 1.192 666 H CB 2.779 32.631 29.762 0.149 0.000 1.555 666 H HN 0.358 nan 8.280 nan 0.000 0.518 667 L N 2.757 124.200 121.223 0.366 0.000 2.365 667 L HA 0.360 4.700 4.340 -0.000 0.000 0.273 667 L C -0.810 176.128 176.870 0.113 0.000 1.000 667 L CA -0.406 54.537 54.840 0.171 0.000 0.819 667 L CB 1.970 44.026 42.059 -0.005 0.000 1.284 667 L HN 0.692 nan 8.230 nan 0.000 0.418 668 D N 1.711 122.139 120.400 0.045 0.000 2.596 668 D HA 0.673 5.313 4.640 -0.000 0.000 0.262 668 D C -1.049 175.223 176.300 -0.045 0.000 1.210 668 D CA -0.125 53.879 54.000 0.005 0.000 0.873 668 D CB 3.166 43.948 40.800 -0.030 0.000 1.408 668 D HN 0.664 nan 8.370 nan 0.000 0.441 669 G N 2.115 110.876 108.800 -0.067 0.000 2.667 669 G HA2 0.181 4.141 3.960 -0.000 0.000 0.244 669 G HA3 0.181 4.141 3.960 -0.000 0.000 0.244 669 G C -3.075 171.745 174.900 -0.132 0.000 3.242 669 G CA -0.768 44.263 45.100 -0.114 0.000 0.634 669 G HN 0.216 nan 8.290 nan 0.000 0.410 670 P HA 0.293 nan 4.420 nan 0.000 0.264 670 P C 1.217 178.384 177.300 -0.222 0.000 1.193 670 P CA 1.757 64.822 63.100 -0.058 0.000 0.763 670 P CB 1.300 32.988 31.700 -0.020 0.000 0.810 671 G N 1.859 110.432 108.800 -0.378 0.000 2.179 671 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 671 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 671 G C 0.511 174.425 174.900 -1.644 0.000 0.977 671 G CA 0.226 44.656 45.100 -1.116 0.000 0.641 671 G HN 0.437 nan 8.290 nan 0.000 0.533 672 V N -1.114 118.156 119.914 -1.074 0.000 3.371 672 V HA 0.522 4.642 4.120 -0.000 0.000 0.246 672 V C 0.838 176.718 176.094 -0.356 0.000 1.303 672 V CA 1.682 63.574 62.300 -0.680 0.000 1.156 672 V CB 1.308 32.929 31.823 -0.337 0.000 0.929 672 V HN 0.889 nan 8.190 nan 0.000 0.459 673 T N -0.269 114.213 114.554 -0.119 0.000 2.886 673 T HA 0.500 4.850 4.350 -0.000 0.000 0.330 673 T C -1.373 173.514 174.700 0.312 0.000 1.488 673 T CA -0.547 61.688 62.100 0.225 0.000 1.054 673 T CB 2.018 70.930 68.868 0.074 0.000 1.348 673 T HN 0.182 nan 8.240 nan 0.000 0.489 674 R N 3.124 123.797 120.500 0.288 0.000 2.539 674 R HA 0.516 4.855 4.340 -0.000 0.000 0.275 674 R C -2.209 174.174 176.300 0.139 0.000 1.077 674 R CA -1.513 54.703 56.100 0.193 0.000 1.097 674 R CB 0.588 30.960 30.300 0.121 0.000 1.018 674 R HN 0.410 nan 8.270 nan 0.000 0.483 675 P HA -0.016 nan 4.420 nan 0.000 0.267 675 P C -0.898 176.486 177.300 0.140 0.000 1.205 675 P CA 0.605 63.778 63.100 0.120 0.000 0.765 675 P CB 0.717 32.487 31.700 0.117 0.000 0.828 676 M N 3.341 123.043 119.600 0.169 0.000 2.602 676 M HA 0.403 4.883 4.480 -0.000 0.000 0.312 676 M C 0.188 176.641 176.300 0.254 0.000 1.181 676 M CA -0.662 54.769 55.300 0.218 0.000 0.910 676 M CB 2.832 35.595 32.600 0.272 0.000 1.723 676 M HN 0.228 nan 8.290 nan 0.000 0.459 677 K N 2.025 122.508 120.400 0.137 0.000 2.422 677 K HA 0.686 5.006 4.320 -0.000 0.000 0.251 677 K C -1.568 174.995 176.600 -0.061 0.000 0.933 677 K CA -1.023 55.207 56.287 -0.094 0.000 0.798 677 K CB 3.078 35.308 32.500 -0.450 0.000 1.238 677 K HN 0.580 nan 8.250 nan 0.000 0.428 678 K N 2.554 122.731 120.400 -0.372 0.000 2.464 678 K HA 0.393 4.713 4.320 -0.000 0.000 0.253 678 K C -1.368 174.736 176.600 -0.826 0.000 0.933 678 K CA -0.775 55.068 56.287 -0.742 0.000 0.801 678 K CB 2.437 33.928 32.500 -1.682 0.000 1.271 678 K HN 0.774 nan 8.250 nan 0.000 0.430 679 M N 3.331 122.258 119.600 -1.123 0.000 2.423 679 M HA 0.512 4.992 4.480 -0.000 0.000 0.335 679 M C -1.751 173.939 176.300 -1.017 0.000 1.177 679 M CA -0.206 54.312 55.300 -1.303 0.000 1.038 679 M CB 0.819 32.422 32.600 -1.662 0.000 1.641 679 M HN 0.535 nan 8.290 nan 0.000 0.455 680 F N 3.160 122.798 119.950 -0.521 0.000 2.659 680 F HA 0.466 4.993 4.527 -0.000 0.000 0.342 680 F C 0.819 176.467 175.800 -0.253 0.000 1.168 680 F CA -0.709 57.108 58.000 -0.304 0.000 1.003 680 F CB 1.318 40.199 39.000 -0.199 0.000 1.267 680 F HN 0.688 nan 8.300 nan 0.000 0.463 681 R N 1.437 121.900 120.500 -0.062 0.000 2.140 681 R HA -0.177 4.163 4.340 -0.000 0.000 0.250 681 R C -0.078 176.214 176.300 -0.013 0.000 1.150 681 R CA 2.121 58.186 56.100 -0.059 0.000 0.966 681 R CB -0.064 30.209 30.300 -0.045 0.000 0.869 681 R HN 0.804 nan 8.270 nan 0.000 0.445 682 E N -1.232 118.980 120.200 0.021 0.000 2.416 682 E HA 0.408 4.758 4.350 -0.000 0.000 0.280 682 E C -1.232 175.372 176.600 0.007 0.000 1.055 682 E CA -0.750 55.659 56.400 0.015 0.000 0.825 682 E CB 1.331 31.035 29.700 0.007 0.000 1.312 682 E HN -0.050 nan 8.360 nan 0.000 0.452 683 I N 1.610 122.176 120.570 -0.006 0.000 2.529 683 I HA 0.313 4.483 4.170 -0.000 0.000 0.284 683 I C -0.484 175.612 176.117 -0.036 0.000 1.088 683 I CA -1.163 60.113 61.300 -0.040 0.000 1.062 683 I CB 1.514 39.481 38.000 -0.055 0.000 1.218 683 I HN 0.362 nan 8.210 nan 0.000 0.442 684 R N 4.744 125.218 120.500 -0.044 0.000 2.697 684 R HA 0.102 4.442 4.340 -0.000 0.000 0.265 684 R C -2.412 173.857 176.300 -0.051 0.000 1.009 684 R CA -1.944 54.132 56.100 -0.040 0.000 1.099 684 R CB -0.624 29.653 30.300 -0.038 0.000 0.965 684 R HN 0.212 nan 8.270 nan 0.000 0.428 685 P HA -0.132 nan 4.420 nan 0.000 0.261 685 P C 0.013 177.276 177.300 -0.062 0.000 1.165 685 P CA 0.705 63.779 63.100 -0.043 0.000 0.759 685 P CB 0.198 31.880 31.700 -0.030 0.000 0.772 686 N N -1.268 117.385 118.700 -0.079 0.000 2.809 686 N HA -0.237 4.503 4.740 -0.000 0.000 0.244 686 N C 0.589 176.023 175.510 -0.127 0.000 1.018 686 N CA 0.996 53.986 53.050 -0.100 0.000 0.917 686 N CB -1.263 37.182 38.487 -0.069 0.000 1.130 686 N HN 0.470 nan 8.380 nan 0.000 0.591 687 S N 0.089 115.713 115.700 -0.126 0.000 2.658 687 S HA 0.225 4.694 4.470 -0.000 0.000 0.249 687 S C 0.337 174.824 174.600 -0.190 0.000 1.363 687 S CA 0.577 58.698 58.200 -0.131 0.000 0.964 687 S CB 0.626 63.760 63.200 -0.110 0.000 0.973 687 S HN 0.284 nan 8.310 nan 0.000 0.588 688 T N 1.193 115.649 114.554 -0.163 0.000 2.928 688 T HA 0.530 4.880 4.350 -0.000 0.000 0.296 688 T C -1.228 173.377 174.700 -0.159 0.000 1.000 688 T CA -0.494 61.499 62.100 -0.178 0.000 0.989 688 T CB 1.438 70.234 68.868 -0.121 0.000 1.005 688 T HN 0.418 nan 8.240 nan 0.000 0.442 689 V N 4.131 123.927 119.914 -0.197 0.000 2.555 689 V HA 0.660 4.780 4.120 -0.000 0.000 0.302 689 V C -0.908 175.131 176.094 -0.092 0.000 1.038 689 V CA -0.594 61.557 62.300 -0.247 0.000 0.887 689 V CB 1.832 33.288 31.823 -0.613 0.000 0.991 689 V HN 0.985 nan 8.190 nan 0.000 0.434 690 Q N 4.683 124.505 119.800 0.035 0.000 2.423 690 Q HA 0.571 4.911 4.340 -0.000 0.000 0.278 690 Q C -1.799 174.454 176.000 0.423 0.000 1.097 690 Q CA -0.849 55.076 55.803 0.204 0.000 0.809 690 Q CB 2.782 31.602 28.738 0.137 0.000 1.391 690 Q HN 0.608 nan 8.270 nan 0.000 0.428 691 W N 1.787 123.204 121.300 0.195 0.000 2.839 691 W HA 0.424 5.084 4.660 -0.000 0.000 0.334 691 W C -1.545 175.038 176.519 0.107 0.000 1.064 691 W CA -0.711 56.745 57.345 0.185 0.000 1.236 691 W CB 1.858 31.459 29.460 0.236 0.000 1.405 691 W HN 0.739 nan 8.180 nan 0.000 0.478 692 E N 4.225 124.479 120.200 0.091 0.000 2.191 692 E HA 0.265 4.615 4.350 -0.000 0.000 0.263 692 E C -0.749 175.690 176.600 -0.267 0.000 0.881 692 E CA -0.780 55.551 56.400 -0.116 0.000 0.757 692 E CB 2.448 32.149 29.700 0.001 0.000 1.147 692 E HN 0.184 nan 8.360 nan 0.000 0.414 693 E N 2.045 121.988 120.200 -0.429 0.000 2.234 693 E HA 0.303 4.653 4.350 -0.000 0.000 0.266 693 E C -0.808 175.673 176.600 -0.199 0.000 0.877 693 E CA -0.823 55.363 56.400 -0.356 0.000 0.758 693 E CB 2.650 31.983 29.700 -0.611 0.000 1.170 693 E HN 0.206 nan 8.360 nan 0.000 0.415 694 V N 2.585 122.440 119.914 -0.099 0.000 2.607 694 V HA 0.270 4.390 4.120 -0.000 0.000 0.289 694 V C 0.189 176.257 176.094 -0.042 0.000 1.053 694 V CA -0.327 61.939 62.300 -0.058 0.000 0.996 694 V CB 1.218 33.028 31.823 -0.021 0.000 0.995 694 V HN 0.745 nan 8.190 nan 0.000 0.476 695 C N 4.429 123.709 119.300 -0.032 0.000 2.802 695 C HA 0.651 5.111 4.460 -0.000 0.000 0.307 695 C C 0.149 175.153 174.990 0.024 0.000 1.222 695 C CA -0.959 58.058 59.018 -0.002 0.000 1.580 695 C CB 1.810 29.528 27.740 -0.037 0.000 2.119 695 C HN 0.938 nan 8.230 nan 0.000 0.479 696 R N 2.491 123.039 120.500 0.081 0.000 2.487 696 R HA 0.327 4.667 4.340 -0.000 0.000 0.288 696 R C -2.599 173.799 176.300 0.164 0.000 1.394 696 R CA -0.946 55.215 56.100 0.101 0.000 1.155 696 R CB 1.144 31.514 30.300 0.117 0.000 1.156 696 R HN 0.583 nan 8.270 nan 0.000 0.553 697 P HA -0.039 nan 4.420 nan 0.000 0.269 697 P C -0.524 176.815 177.300 0.065 0.000 1.217 697 P CA 0.064 63.083 63.100 -0.135 0.000 0.783 697 P CB 0.388 31.968 31.700 -0.200 0.000 0.898 698 W N -0.050 121.252 121.300 0.004 0.000 2.324 698 W HA 0.524 5.184 4.660 -0.000 0.000 0.316 698 W C -1.335 175.189 176.519 0.009 0.000 0.927 698 W CA -0.463 56.888 57.345 0.010 0.000 1.438 698 W CB -0.336 29.133 29.460 0.014 0.000 1.085 698 W HN -0.123 nan 8.180 nan 0.000 0.532 699 V N 2.684 122.431 119.914 -0.280 0.000 2.789 699 V HA 0.687 4.807 4.120 -0.000 0.000 0.311 699 V C 0.170 176.170 176.094 -0.156 0.000 1.073 699 V CA -0.518 61.667 62.300 -0.192 0.000 0.921 699 V CB 1.761 33.395 31.823 -0.314 0.000 1.009 699 V HN 0.154 nan 8.190 nan 0.000 0.426 700 S N 2.048 117.702 115.700 -0.077 0.000 2.759 700 S HA 1.035 5.505 4.470 -0.000 0.000 0.310 700 S C 0.168 174.746 174.600 -0.037 0.000 1.123 700 S CA 0.020 58.187 58.200 -0.055 0.000 0.959 700 S CB 1.938 65.124 63.200 -0.023 0.000 1.172 700 S HN 2.328 nan 8.310 nan 0.000 0.539 701 G N 0.622 109.414 108.800 -0.013 0.000 2.482 701 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.214 701 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.214 701 G C -0.720 174.214 174.900 0.057 0.000 1.271 701 G CA -0.016 45.096 45.100 0.019 0.000 0.944 701 G HN 1.520 nan 8.290 nan 0.000 0.568 702 H N 2.543 121.590 119.070 -0.038 0.000 2.944 702 H HA 0.689 5.245 4.556 -0.000 0.000 0.278 702 H C 0.906 176.202 175.328 -0.052 0.000 1.083 702 H CA 0.123 56.146 56.048 -0.040 0.000 1.479 702 H CB 0.178 29.923 29.762 -0.027 0.000 1.486 702 H HN 0.590 nan 8.280 nan 0.000 0.493 703 R N 3.564 124.056 120.500 -0.012 0.000 3.055 703 R HA 0.548 4.888 4.340 -0.000 0.000 0.231 703 R C -0.674 175.546 176.300 -0.133 0.000 1.443 703 R CA -1.017 54.975 56.100 -0.180 0.000 1.063 703 R CB 1.099 31.316 30.300 -0.139 0.000 1.514 703 R HN 0.700 nan 8.270 nan 0.000 0.510 704 K N 0.650 120.969 120.400 -0.135 0.000 2.570 704 K HA 0.315 4.635 4.320 -0.000 0.000 0.256 704 K C -1.425 175.123 176.600 -0.086 0.000 0.939 704 K CA -0.419 55.825 56.287 -0.072 0.000 0.833 704 K CB 1.442 33.885 32.500 -0.095 0.000 1.318 704 K HN 0.379 nan 8.250 nan 0.000 0.433 705 L N 4.966 126.156 121.223 -0.055 0.000 2.357 705 L HA 0.595 4.935 4.340 -0.000 0.000 0.273 705 L C -0.201 176.645 176.870 -0.041 0.000 1.080 705 L CA -0.924 53.882 54.840 -0.056 0.000 0.803 705 L CB 1.135 43.166 42.059 -0.046 0.000 1.174 705 L HN 0.535 nan 8.230 nan 0.000 0.443 706 I N 1.413 121.962 120.570 -0.035 0.000 2.686 706 I HA 0.725 4.895 4.170 -0.000 0.000 0.295 706 I C -0.528 175.612 176.117 0.040 0.000 1.114 706 I CA -0.452 60.836 61.300 -0.020 0.000 1.038 706 I CB 2.216 40.170 38.000 -0.077 0.000 1.238 706 I HN 0.650 nan 8.210 nan 0.000 0.420 707 A N 3.306 126.181 122.820 0.092 0.000 2.556 707 A HA 0.949 5.269 4.320 -0.000 0.000 0.294 707 A C -0.871 176.839 177.584 0.210 0.000 1.091 707 A CA -0.475 51.663 52.037 0.168 0.000 0.704 707 A CB 2.089 21.195 19.000 0.176 0.000 1.300 707 A HN 0.756 nan 8.150 nan 0.000 0.406 708 S N 0.941 116.778 115.700 0.228 0.000 2.579 708 S HA 0.799 5.269 4.470 -0.000 0.000 0.272 708 S C -0.903 173.742 174.600 0.075 0.000 1.141 708 S CA -0.566 57.717 58.200 0.138 0.000 0.843 708 S CB 1.875 65.151 63.200 0.127 0.000 1.122 708 S HN 1.608 nan 8.310 nan 0.000 0.468 709 M N 2.653 122.172 119.600 -0.135 0.000 2.386 709 M HA 0.643 5.123 4.480 -0.000 0.000 0.293 709 M C -1.675 174.515 176.300 -0.183 0.000 1.120 709 M CA -0.124 55.067 55.300 -0.182 0.000 0.909 709 M CB 1.802 34.055 32.600 -0.579 0.000 1.661 709 M HN 0.987 nan 8.290 nan 0.000 0.452 710 S N 3.096 118.782 115.700 -0.024 0.000 2.548 710 S HA 0.876 5.346 4.470 -0.000 0.000 0.276 710 S C -0.902 173.764 174.600 0.109 0.000 1.129 710 S CA -0.055 58.154 58.200 0.016 0.000 0.931 710 S CB 1.534 64.750 63.200 0.027 0.000 1.068 710 S HN 0.953 nan 8.310 nan 0.000 0.480 711 S N 3.127 118.877 115.700 0.083 0.000 2.971 711 S HA 0.575 5.045 4.470 -0.000 0.000 0.320 711 S C -0.022 174.646 174.600 0.112 0.000 1.111 711 S CA -0.355 57.911 58.200 0.110 0.000 0.870 711 S CB 0.211 63.451 63.200 0.067 0.000 1.331 711 S HN 0.612 nan 8.310 nan 0.000 0.635 712 D N 1.518 121.973 120.400 0.093 0.000 2.202 712 D HA 0.080 4.720 4.640 -0.000 0.000 0.214 712 D C 1.943 178.279 176.300 0.060 0.000 0.967 712 D CA 1.159 55.205 54.000 0.078 0.000 0.871 712 D CB -0.678 40.158 40.800 0.061 0.000 1.020 712 D HN 0.401 nan 8.370 nan 0.000 0.474 713 S N -0.074 115.658 115.700 0.053 0.000 2.382 713 S HA -0.007 4.463 4.470 -0.000 0.000 0.228 713 S C 0.639 175.270 174.600 0.051 0.000 1.027 713 S CA 0.451 58.678 58.200 0.045 0.000 0.991 713 S CB -0.194 63.033 63.200 0.044 0.000 0.823 713 S HN 0.226 nan 8.310 nan 0.000 0.469 714 L N 1.126 122.384 121.223 0.059 0.000 2.409 714 L HA 0.695 5.035 4.340 -0.000 0.000 0.262 714 L C -0.937 175.950 176.870 0.028 0.000 0.992 714 L CA -0.702 54.171 54.840 0.054 0.000 0.817 714 L CB 1.929 44.035 42.059 0.078 0.000 1.350 714 L HN 0.328 nan 8.230 nan 0.000 0.411 715 R N 1.765 122.279 120.500 0.023 0.000 2.741 715 R HA 0.468 4.808 4.340 -0.000 0.000 0.276 715 R C -0.904 175.404 176.300 0.014 0.000 1.028 715 R CA -0.617 55.473 56.100 -0.017 0.000 0.865 715 R CB 0.506 30.832 30.300 0.042 0.000 1.268 715 R HN 0.746 nan 8.270 nan 0.000 0.475 716 H N -1.788 117.103 119.070 -0.298 0.000 3.007 716 H HA -0.096 4.460 4.556 -0.000 0.000 0.267 716 H C -1.292 173.679 175.328 -0.595 0.000 1.266 716 H CA 0.808 56.596 56.048 -0.435 0.000 1.116 716 H CB -0.828 28.866 29.762 -0.114 0.000 1.282 716 H HN 0.703 nan 8.280 nan 0.000 0.372 717 V N -1.456 118.039 119.914 -0.698 0.000 2.513 717 V HA 0.814 4.934 4.120 -0.000 0.000 0.299 717 V C -0.145 175.525 176.094 -0.707 0.000 1.035 717 V CA -0.555 61.478 62.300 -0.445 0.000 0.889 717 V CB 1.663 33.367 31.823 -0.198 0.000 0.988 717 V HN 0.217 nan 8.190 nan 0.000 0.440 718 Y N 2.469 122.760 120.300 -0.015 0.000 2.805 718 Y HA 0.995 5.545 4.550 -0.000 0.000 0.323 718 Y C 0.600 176.509 175.900 0.016 0.000 1.279 718 Y CA -0.437 57.646 58.100 -0.029 0.000 1.103 718 Y CB 2.255 40.670 38.460 -0.074 0.000 1.324 718 Y HN 1.100 nan 8.280 nan 0.000 0.498 719 G N 0.029 108.957 108.800 0.214 0.000 2.702 719 G HA2 0.562 4.522 3.960 -0.000 0.000 0.296 719 G HA3 0.562 4.522 3.960 -0.000 0.000 0.296 719 G C -2.064 172.883 174.900 0.079 0.000 1.463 719 G CA -0.967 44.208 45.100 0.125 0.000 0.890 719 G HN 0.667 nan 8.290 nan 0.000 0.534 720 E N -0.406 119.820 120.200 0.044 0.000 2.429 720 E HA 0.799 5.149 4.350 -0.000 0.000 0.276 720 E C -2.092 174.516 176.600 0.014 0.000 0.953 720 E CA -1.203 55.204 56.400 0.012 0.000 0.787 720 E CB 2.850 32.542 29.700 -0.015 0.000 1.307 720 E HN 0.788 nan 8.360 nan 0.000 0.458 721 L N 1.382 122.609 121.223 0.007 0.000 2.588 721 L HA 0.403 4.743 4.340 -0.000 0.000 0.263 721 L C -2.162 174.721 176.870 0.023 0.000 0.935 721 L CA -0.307 54.539 54.840 0.011 0.000 0.891 721 L CB 2.080 44.141 42.059 0.004 0.000 1.318 721 L HN 0.561 nan 8.230 nan 0.000 0.409 722 D N 3.638 124.064 120.400 0.044 0.000 2.210 722 D HA 0.634 5.274 4.640 -0.000 0.000 0.249 722 D C -0.427 175.907 176.300 0.056 0.000 1.078 722 D CA 0.240 54.307 54.000 0.111 0.000 0.875 722 D CB 1.908 42.782 40.800 0.124 0.000 1.175 722 D HN 0.431 nan 8.370 nan 0.000 0.440 723 V N -0.083 119.882 119.914 0.086 0.000 2.962 723 V HA 0.594 4.714 4.120 -0.000 0.000 0.313 723 V C -0.695 175.438 176.094 0.064 0.000 1.099 723 V CA -1.116 61.204 62.300 0.034 0.000 0.971 723 V CB 1.912 33.732 31.823 -0.005 0.000 1.028 723 V HN 0.351 nan 8.190 nan 0.000 0.430 724 Q N 2.665 122.476 119.800 0.019 0.000 2.348 724 Q HA 0.593 4.933 4.340 -0.000 0.000 0.265 724 Q C -1.210 174.788 176.000 -0.004 0.000 0.998 724 Q CA -0.610 55.205 55.803 0.020 0.000 0.831 724 Q CB 1.516 30.251 28.738 -0.004 0.000 1.251 724 Q HN 0.780 nan 8.270 nan 0.000 0.456 725 I N 3.866 124.428 120.570 -0.013 0.000 2.312 725 I HA 0.220 4.390 4.170 -0.000 0.000 0.291 725 I C 0.414 176.520 176.117 -0.019 0.000 1.031 725 I CA -0.196 61.087 61.300 -0.029 0.000 1.293 725 I CB 0.879 38.844 38.000 -0.059 0.000 1.403 725 I HN 0.721 nan 8.210 nan 0.000 0.484 726 Q N 4.648 124.439 119.800 -0.015 0.000 2.396 726 Q HA 0.377 4.717 4.340 -0.000 0.000 0.221 726 Q C 0.142 176.137 176.000 -0.008 0.000 1.025 726 Q CA -0.576 55.222 55.803 -0.010 0.000 0.946 726 Q CB 1.503 30.236 28.738 -0.009 0.000 1.224 726 Q HN 0.459 nan 8.270 nan 0.000 0.539 727 R N 0.294 120.792 120.500 -0.004 0.000 2.532 727 R HA 0.262 4.602 4.340 -0.000 0.000 0.272 727 R C -0.499 175.802 176.300 0.002 0.000 1.032 727 R CA -0.559 55.542 56.100 0.001 0.000 1.089 727 R CB 0.863 31.165 30.300 0.003 0.000 1.098 727 R HN 0.421 nan 8.270 nan 0.000 0.526 728 R N 2.853 123.358 120.500 0.008 0.000 2.248 728 R HA 0.189 4.529 4.340 -0.000 0.000 0.328 728 R C -1.846 174.453 176.300 -0.003 0.000 1.067 728 R CA -1.147 54.957 56.100 0.006 0.000 0.924 728 R CB 0.418 30.728 30.300 0.017 0.000 1.013 728 R HN 0.520 nan 8.270 nan 0.000 0.454 729 P HA 0.000 nan 4.420 nan 0.000 0.216 729 P CA 0.000 63.091 63.100 -0.016 0.000 0.800 729 P CB 0.000 31.692 31.700 -0.014 0.000 0.726