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 2ipc_1_D DATA FIRST_RESID 6 DATA SEQUENCE RRLFDNNERE IARYYKQVVE PVNRLEAEVE KLPDLAAAYR ELKEKHEKGA DATA SEQUENCE SLDELLPMAF ALTRESAKRY LGMRHFDVQL IGGAVLHEGK IAEMKTGEGK DATA SEQUENCE TLVATLAVAL NALTGKGVHV VTVNDYLARR DAEWMGPVYR GLGLSVGVIQ DATA SEQUENCE HASTPAERRK AYLADVTYVT NSELGFDYLR DNMAISPDQL VLRHDHPLHY DATA SEQUENCE AIIDEVDSIL IDEARTPLII SGPAEKATDL YYKMAEIAKK LERGLPAEPG DATA SEQUENCE VRKEPTGDYT VEEKNRSVHL TLQGIAKAEK LLGIEGLFSP ENMELAHMLI DATA SEQUENCE QAIRAKELYH RDRDYIVQDG QVIIVDEFTG RLMPGRRYGE GLHQAIEAKE DATA SEQUENCE GVRIERENQT LATITYQNFF RLYEKRAGMT GTAKTEEKEF QEIYGMDVVV DATA SEQUENCE VPTNRPVIRK DFPDVVYRTE KGKFYAVVEE IAEKYERGQP VLVGTISIEK DATA SEQUENCE SERLSQMLKE PRLYLPRLEM RLELFKKASQ KQQGPEWERL RKLLERPAQL DATA SEQUENCE KDEDLAPFEG LIPPKGNLRT AWEGLKRAVH TLAVLRQGIP HQVLNAKHHA DATA SEQUENCE REAEIVAQAG RSKTVTIATN MAGRGTDIKL GGNPEYLAAA LLEKEGFDRY DATA SEQUENCE EWKVELFIKK MVAGKEEEAR ALAQELGIRE ELLERIREIR EECKQDEERV DATA SEQUENCE RALGGLFIIG TERHESRRID NQLRGRAGRQ GDPGGSRFYV SFDDDLMRLF DATA SEQUENCE ASDRVIAMLD RMGFDDSEPI EHPMVTRSIE RAQKRVEDRN FAIRKQLLQF DATA SEQUENCE DDVLSRQREV IYAQRRLILL GKDEEVKEAA IGMVEETVAS LAENFLNPEV DATA SEQUENCE HPEDWDLEGL KATLLDTAPQ LQDFPFAELR ALKAEEAVER LVEAALKAYE DATA SEQUENCE AREAELSPPL MRAVERFVIL NVVDNAWKEH LHNLDVLRQG IFLRGYGQKD DATA SEQUENCE PFQEYKIEAT RLFNEMVAFI KSEVAKFLFR LKVE 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.365 176.300 0.108 0.000 0.893 6 R CA 0.000 56.146 56.100 0.076 0.000 0.921 6 R CB 0.000 30.331 30.300 0.051 0.000 0.687 7 R N 1.918 122.464 120.500 0.076 0.000 2.127 7 R HA -0.064 4.277 4.340 0.001 0.000 0.238 7 R C 2.346 178.700 176.300 0.089 0.000 1.134 7 R CA 1.991 58.137 56.100 0.076 0.000 0.975 7 R CB -0.325 30.012 30.300 0.062 0.000 0.865 7 R HN 0.210 nan 8.270 nan 0.000 0.447 8 L N -1.405 119.883 121.223 0.108 0.000 2.013 8 L HA 0.006 4.347 4.340 0.001 0.000 0.204 8 L C 1.920 178.922 176.870 0.220 0.000 1.081 8 L CA 1.297 56.221 54.840 0.141 0.000 0.751 8 L CB -0.871 41.270 42.059 0.137 0.000 0.901 8 L HN -0.173 nan 8.230 nan 0.000 0.440 9 F N 2.177 122.128 119.950 0.003 0.000 2.034 9 F HA -0.244 4.283 4.527 0.001 0.000 0.298 9 F C 1.774 177.573 175.800 -0.001 0.000 1.193 9 F CA 1.225 59.226 58.000 0.001 0.000 1.208 9 F CB -0.986 38.014 39.000 0.001 0.000 0.945 9 F HN 0.382 nan 8.300 nan 0.000 0.521 10 D N -0.695 119.793 120.400 0.147 0.000 2.314 10 D HA -0.066 4.574 4.640 0.001 0.000 0.252 10 D C 0.955 177.255 176.300 -0.001 0.000 1.295 10 D CA 0.340 54.355 54.000 0.025 0.000 0.995 10 D CB -0.055 40.776 40.800 0.052 0.000 1.125 10 D HN 0.253 nan 8.370 nan 0.000 0.537 11 N N -0.176 118.515 118.700 -0.014 0.000 2.207 11 N HA -0.165 4.575 4.740 0.001 0.000 0.182 11 N C 0.577 176.079 175.510 -0.013 0.000 1.020 11 N CA 0.763 53.798 53.050 -0.025 0.000 0.858 11 N CB -0.298 38.174 38.487 -0.025 0.000 0.991 11 N HN 0.210 nan 8.380 nan 0.000 0.427 12 N N 0.205 118.913 118.700 0.013 0.000 2.586 12 N HA 0.002 4.743 4.740 0.001 0.000 0.206 12 N C 0.156 175.689 175.510 0.037 0.000 1.377 12 N CA 0.328 53.396 53.050 0.030 0.000 0.871 12 N CB 0.277 38.790 38.487 0.044 0.000 1.107 12 N HN 0.408 nan 8.380 nan 0.000 0.462 13 E N -1.136 119.080 120.200 0.027 0.000 3.297 13 E HA 0.078 4.429 4.350 0.001 0.000 0.232 13 E C 1.321 177.940 176.600 0.031 0.000 1.143 13 E CA 0.035 56.461 56.400 0.044 0.000 1.741 13 E CB -0.022 29.716 29.700 0.063 0.000 1.925 13 E HN 0.131 nan 8.360 nan 0.000 0.924 14 R N 1.523 122.030 120.500 0.011 0.000 2.115 14 R HA -0.065 4.276 4.340 0.001 0.000 0.230 14 R C 1.965 178.235 176.300 -0.050 0.000 1.111 14 R CA 1.279 57.376 56.100 -0.005 0.000 0.976 14 R CB 0.240 30.530 30.300 -0.015 0.000 0.870 14 R HN 0.037 nan 8.270 nan 0.000 0.445 15 E N 0.352 120.499 120.200 -0.088 0.000 2.028 15 E HA -0.184 4.167 4.350 0.001 0.000 0.191 15 E C 1.958 178.422 176.600 -0.228 0.000 0.988 15 E CA 1.088 57.355 56.400 -0.220 0.000 0.799 15 E CB -0.133 29.442 29.700 -0.210 0.000 0.755 15 E HN 0.251 nan 8.360 nan 0.000 0.447 16 I N 1.460 122.001 120.570 -0.048 0.000 2.248 16 I HA -0.273 3.898 4.170 0.001 0.000 0.248 16 I C 2.317 178.474 176.117 0.067 0.000 1.107 16 I CA 1.240 62.565 61.300 0.042 0.000 1.373 16 I CB -0.549 37.478 38.000 0.045 0.000 1.055 16 I HN 0.015 nan 8.210 nan 0.000 0.418 17 A N -0.199 122.678 122.820 0.095 0.000 1.877 17 A HA -0.246 4.075 4.320 0.001 0.000 0.216 17 A C 2.438 180.108 177.584 0.142 0.000 1.186 17 A CA 1.869 54.013 52.037 0.179 0.000 0.620 17 A CB -0.568 18.499 19.000 0.112 0.000 0.822 17 A HN 0.302 nan 8.150 nan 0.000 0.443 18 R N -1.446 119.064 120.500 0.017 0.000 2.120 18 R HA -0.134 4.206 4.340 0.001 0.000 0.234 18 R C 1.714 178.050 176.300 0.059 0.000 1.123 18 R CA 1.562 57.655 56.100 -0.011 0.000 0.975 18 R CB -0.788 29.437 30.300 -0.125 0.000 0.866 18 R HN 0.587 nan 8.270 nan 0.000 0.446 19 Y N -1.018 119.296 120.300 0.024 0.000 2.242 19 Y HA -0.149 4.401 4.550 0.001 0.000 0.291 19 Y C 1.865 177.789 175.900 0.041 0.000 1.137 19 Y CA 0.918 59.014 58.100 -0.008 0.000 1.181 19 Y CB -0.742 37.675 38.460 -0.071 0.000 0.989 19 Y HN 0.141 nan 8.280 nan 0.000 0.527 20 Y N 0.007 120.419 120.300 0.187 0.000 2.145 20 Y HA -0.271 4.279 4.550 0.001 0.000 0.286 20 Y C 2.567 178.516 175.900 0.082 0.000 1.145 20 Y CA 1.092 59.261 58.100 0.116 0.000 1.148 20 Y CB -0.007 38.506 38.460 0.089 0.000 0.981 20 Y HN -0.080 nan 8.280 nan 0.000 0.507 21 K N 0.196 120.745 120.400 0.249 0.000 2.002 21 K HA -0.219 4.102 4.320 0.001 0.000 0.209 21 K C 1.805 178.467 176.600 0.104 0.000 1.048 21 K CA 1.694 58.063 56.287 0.137 0.000 0.930 21 K CB -0.299 32.258 32.500 0.094 0.000 0.714 21 K HN 0.487 nan 8.250 nan 0.000 0.438 22 Q N -0.250 119.614 119.800 0.106 0.000 2.398 22 Q HA -0.005 4.336 4.340 0.001 0.000 0.204 22 Q C 1.657 177.685 176.000 0.048 0.000 0.932 22 Q CA 0.429 56.274 55.803 0.071 0.000 0.916 22 Q CB 0.658 29.438 28.738 0.070 0.000 1.024 22 Q HN 0.065 nan 8.270 nan 0.000 0.504 23 V N -1.700 118.260 119.914 0.077 0.000 3.134 23 V HA -0.060 4.061 4.120 0.001 0.000 0.222 23 V C 1.889 178.023 176.094 0.067 0.000 1.247 23 V CA 0.329 62.633 62.300 0.005 0.000 1.281 23 V CB -0.141 31.655 31.823 -0.045 0.000 1.169 23 V HN -0.016 nan 8.190 nan 0.000 0.512 24 V N 0.606 120.612 119.914 0.152 0.000 2.214 24 V HA -0.347 3.773 4.120 0.001 0.000 0.247 24 V C 2.366 178.561 176.094 0.168 0.000 1.051 24 V CA 2.756 65.187 62.300 0.218 0.000 1.003 24 V CB -0.839 31.251 31.823 0.446 0.000 0.635 24 V HN 0.590 nan 8.190 nan 0.000 0.447 25 E N -0.034 120.260 120.200 0.157 0.000 2.049 25 E HA -0.220 4.131 4.350 0.001 0.000 0.198 25 E C 0.076 176.716 176.600 0.065 0.000 1.007 25 E CA 2.211 58.663 56.400 0.088 0.000 0.809 25 E CB -1.128 28.610 29.700 0.062 0.000 0.749 25 E HN 0.536 nan 8.360 nan 0.000 0.450 26 P HA -0.150 nan 4.420 nan 0.000 0.215 26 P C 1.340 178.665 177.300 0.042 0.000 1.153 26 P CA 1.040 64.163 63.100 0.039 0.000 0.853 26 P CB 0.106 31.820 31.700 0.024 0.000 0.788 27 V N 0.074 120.021 119.914 0.055 0.000 2.594 27 V HA -0.215 3.906 4.120 0.001 0.000 0.253 27 V C 2.011 178.143 176.094 0.063 0.000 1.069 27 V CA 1.719 64.061 62.300 0.070 0.000 1.082 27 V CB -1.088 30.804 31.823 0.115 0.000 0.680 27 V HN 0.203 nan 8.190 nan 0.000 0.469 28 N N 0.096 118.835 118.700 0.066 0.000 2.290 28 N HA -0.054 4.687 4.740 0.001 0.000 0.179 28 N C 1.940 177.473 175.510 0.037 0.000 1.016 28 N CA 0.657 53.740 53.050 0.054 0.000 0.871 28 N CB -0.203 38.320 38.487 0.061 0.000 0.987 28 N HN 0.360 nan 8.380 nan 0.000 0.431 29 R N 1.094 121.615 120.500 0.035 0.000 2.152 29 R HA 0.028 4.368 4.340 0.001 0.000 0.232 29 R C 1.661 177.975 176.300 0.023 0.000 1.117 29 R CA 0.548 56.663 56.100 0.026 0.000 0.981 29 R CB -0.726 29.589 30.300 0.024 0.000 0.870 29 R HN 0.330 nan 8.270 nan 0.000 0.451 30 L N 0.201 121.440 121.223 0.027 0.000 2.628 30 L HA 0.210 4.550 4.340 0.001 0.000 0.229 30 L C 1.997 178.879 176.870 0.020 0.000 1.137 30 L CA -0.027 54.828 54.840 0.024 0.000 0.909 30 L CB -0.091 41.986 42.059 0.029 0.000 1.137 30 L HN 0.107 nan 8.230 nan 0.000 0.470 31 E N 1.457 121.668 120.200 0.017 0.000 2.152 31 E HA -0.169 4.182 4.350 0.001 0.000 0.192 31 E C 2.262 178.864 176.600 0.004 0.000 0.983 31 E CA 1.055 57.459 56.400 0.006 0.000 0.818 31 E CB 0.196 29.899 29.700 0.006 0.000 0.758 31 E HN 0.483 nan 8.360 nan 0.000 0.467 32 A N 1.448 124.273 122.820 0.009 0.000 1.851 32 A HA -0.272 4.049 4.320 0.001 0.000 0.216 32 A C 1.940 179.529 177.584 0.009 0.000 1.195 32 A CA 1.922 53.964 52.037 0.008 0.000 0.622 32 A CB -0.693 18.313 19.000 0.010 0.000 0.831 32 A HN 0.343 nan 8.150 nan 0.000 0.444 33 E N -0.384 119.824 120.200 0.012 0.000 2.038 33 E HA -0.160 4.190 4.350 0.001 0.000 0.195 33 E C 1.936 178.545 176.600 0.015 0.000 1.000 33 E CA 1.532 57.941 56.400 0.015 0.000 0.803 33 E CB -0.440 29.271 29.700 0.018 0.000 0.750 33 E HN 0.363 nan 8.360 nan 0.000 0.448 34 V N 2.090 122.013 119.914 0.014 0.000 2.469 34 V HA -0.268 3.853 4.120 0.001 0.000 0.251 34 V C 2.290 178.387 176.094 0.005 0.000 1.064 34 V CA 2.254 64.562 62.300 0.013 0.000 1.066 34 V CB -0.854 30.974 31.823 0.007 0.000 0.667 34 V HN 0.419 nan 8.190 nan 0.000 0.461 35 E N 0.551 120.749 120.200 -0.003 0.000 2.427 35 E HA -0.139 4.212 4.350 0.001 0.000 0.196 35 E C 1.469 178.071 176.600 0.003 0.000 1.028 35 E CA 0.723 57.117 56.400 -0.010 0.000 0.864 35 E CB -0.190 29.500 29.700 -0.016 0.000 0.813 35 E HN 0.507 nan 8.360 nan 0.000 0.514 36 K N 0.895 121.301 120.400 0.010 0.000 2.675 36 K HA 0.283 4.604 4.320 0.001 0.000 0.213 36 K C -0.584 176.030 176.600 0.022 0.000 1.074 36 K CA -0.158 56.138 56.287 0.015 0.000 1.172 36 K CB 0.367 32.875 32.500 0.014 0.000 0.927 36 K HN 0.161 nan 8.250 nan 0.000 0.471 37 L N 1.053 122.292 121.223 0.027 0.000 2.305 37 L HA 0.256 4.596 4.340 0.001 0.000 0.284 37 L C -1.753 175.147 176.870 0.050 0.000 1.013 37 L CA -2.032 52.832 54.840 0.039 0.000 0.819 37 L CB 1.873 43.959 42.059 0.046 0.000 1.227 37 L HN -0.051 nan 8.230 nan 0.000 0.417 38 P HA -0.037 nan 4.420 nan 0.000 0.217 38 P C -0.529 176.818 177.300 0.079 0.000 1.150 38 P CA 1.070 64.202 63.100 0.054 0.000 0.832 38 P CB 0.324 32.047 31.700 0.039 0.000 0.787 39 D N -1.177 119.272 120.400 0.083 0.000 2.620 39 D HA 0.202 4.843 4.640 0.001 0.000 0.252 39 D C 0.768 177.144 176.300 0.126 0.000 1.207 39 D CA -0.338 53.726 54.000 0.107 0.000 0.884 39 D CB 1.871 42.717 40.800 0.078 0.000 1.262 39 D HN -0.095 nan 8.370 nan 0.000 0.552 40 L N 1.485 122.815 121.223 0.179 0.000 2.270 40 L HA 0.021 4.361 4.340 0.001 0.000 0.210 40 L C 2.438 179.422 176.870 0.190 0.000 1.104 40 L CA 0.521 55.466 54.840 0.175 0.000 0.804 40 L CB -0.038 42.143 42.059 0.203 0.000 0.937 40 L HN 0.388 nan 8.230 nan 0.000 0.450 41 A N 0.661 123.592 122.820 0.185 0.000 1.851 41 A HA -0.232 4.089 4.320 0.001 0.000 0.216 41 A C 2.566 180.250 177.584 0.167 0.000 1.195 41 A CA 1.949 54.095 52.037 0.182 0.000 0.622 41 A CB -0.844 18.235 19.000 0.131 0.000 0.831 41 A HN 0.363 nan 8.150 nan 0.000 0.444 42 A N -0.245 122.644 122.820 0.116 0.000 1.917 42 A HA 0.061 4.382 4.320 0.001 0.000 0.219 42 A C 2.519 180.153 177.584 0.085 0.000 1.182 42 A CA 2.515 54.601 52.037 0.081 0.000 0.633 42 A CB -1.104 17.933 19.000 0.062 0.000 0.819 42 A HN 1.189 nan 8.150 nan 0.000 0.448 43 A N -1.779 121.107 122.820 0.110 0.000 1.933 43 A HA -0.098 4.223 4.320 0.001 0.000 0.218 43 A C 2.164 179.834 177.584 0.143 0.000 1.175 43 A CA 1.740 53.842 52.037 0.109 0.000 0.628 43 A CB -0.737 18.330 19.000 0.113 0.000 0.814 43 A HN 0.711 nan 8.150 nan 0.000 0.444 44 Y N 0.883 121.209 120.300 0.043 0.000 2.163 44 Y HA -0.146 4.404 4.550 0.001 0.000 0.288 44 Y C 2.424 178.342 175.900 0.030 0.000 1.136 44 Y CA 1.748 59.870 58.100 0.036 0.000 1.147 44 Y CB -0.451 38.033 38.460 0.040 0.000 0.987 44 Y HN 0.313 nan 8.280 nan 0.000 0.509 45 R N 0.095 120.552 120.500 -0.072 0.000 2.139 45 R HA -0.222 4.119 4.340 0.001 0.000 0.243 45 R C 2.186 178.399 176.300 -0.145 0.000 1.145 45 R CA 1.743 57.752 56.100 -0.152 0.000 0.976 45 R CB -0.422 29.863 30.300 -0.025 0.000 0.866 45 R HN 0.491 nan 8.270 nan 0.000 0.449 46 E N 0.840 120.997 120.200 -0.072 0.000 2.107 46 E HA -0.152 4.198 4.350 0.001 0.000 0.191 46 E C 1.665 178.229 176.600 -0.060 0.000 0.982 46 E CA 0.657 57.031 56.400 -0.042 0.000 0.809 46 E CB 0.083 29.784 29.700 0.002 0.000 0.756 46 E HN 0.114 nan 8.360 nan 0.000 0.459 47 L N 1.396 122.569 121.223 -0.084 0.000 2.141 47 L HA -0.116 4.225 4.340 0.001 0.000 0.209 47 L C 2.366 179.169 176.870 -0.110 0.000 1.094 47 L CA 1.626 56.430 54.840 -0.060 0.000 0.763 47 L CB -0.453 41.613 42.059 0.011 0.000 0.908 47 L HN 0.083 nan 8.230 nan 0.000 0.437 48 K N -0.510 119.725 120.400 -0.274 0.000 2.103 48 K HA -0.262 4.059 4.320 0.001 0.000 0.207 48 K C 2.086 178.653 176.600 -0.055 0.000 1.048 48 K CA 1.603 57.756 56.287 -0.222 0.000 0.930 48 K CB 0.077 32.379 32.500 -0.331 0.000 0.716 48 K HN 0.211 nan 8.250 nan 0.000 0.444 49 E N 0.772 120.937 120.200 -0.059 0.000 2.046 49 E HA -0.155 4.196 4.350 0.001 0.000 0.190 49 E C 1.731 178.330 176.600 -0.003 0.000 0.982 49 E CA 1.430 57.816 56.400 -0.023 0.000 0.800 49 E CB 0.020 29.704 29.700 -0.027 0.000 0.756 49 E HN 0.075 nan 8.360 nan 0.000 0.449 50 K N -0.128 120.274 120.400 0.004 0.000 2.074 50 K HA -0.196 4.125 4.320 0.001 0.000 0.209 50 K C 2.281 178.895 176.600 0.024 0.000 1.048 50 K CA 1.839 58.135 56.287 0.015 0.000 0.926 50 K CB -0.497 32.019 32.500 0.027 0.000 0.713 50 K HN 0.358 nan 8.250 nan 0.000 0.444 51 H N 0.153 119.206 119.070 -0.029 0.000 2.395 51 H HA 0.004 4.561 4.556 0.001 0.000 0.299 51 H C 1.166 176.485 175.328 -0.016 0.000 1.070 51 H CA 1.398 57.435 56.048 -0.018 0.000 1.356 51 H CB 0.347 30.096 29.762 -0.022 0.000 1.401 51 H HN 0.303 nan 8.280 nan 0.000 0.524 52 E N 0.376 120.577 120.200 0.001 0.000 2.478 52 E HA -0.058 4.293 4.350 0.001 0.000 0.198 52 E C 1.610 178.166 176.600 -0.072 0.000 1.046 52 E CA 0.120 56.500 56.400 -0.033 0.000 0.870 52 E CB 0.269 29.986 29.700 0.028 0.000 0.818 52 E HN 0.412 nan 8.360 nan 0.000 0.527 53 K N -0.884 119.471 120.400 -0.075 0.000 2.393 53 K HA 0.051 4.372 4.320 0.001 0.000 0.193 53 K C 0.864 177.413 176.600 -0.085 0.000 1.026 53 K CA 0.539 56.790 56.287 -0.059 0.000 1.064 53 K CB 0.901 33.381 32.500 -0.035 0.000 0.833 53 K HN 0.197 nan 8.250 nan 0.000 0.521 54 G N 0.785 109.491 108.800 -0.157 0.000 2.168 54 G HA2 -0.202 3.758 3.960 0.001 0.000 0.197 54 G HA3 -0.202 3.758 3.960 0.001 0.000 0.197 54 G C -0.002 174.808 174.900 -0.149 0.000 0.997 54 G CA -0.131 44.871 45.100 -0.163 0.000 0.658 54 G HN 0.332 nan 8.290 nan 0.000 0.513 55 A N 1.168 123.902 122.820 -0.142 0.000 2.396 55 A HA 0.695 5.016 4.320 0.001 0.000 0.279 55 A C 1.162 178.735 177.584 -0.019 0.000 1.165 55 A CA 0.898 52.905 52.037 -0.049 0.000 0.824 55 A CB 0.108 19.111 19.000 0.006 0.000 1.100 55 A HN 2.041 nan 8.150 nan 0.000 0.516 56 S N 2.676 118.389 115.700 0.021 0.000 2.559 56 S HA 0.066 4.537 4.470 0.001 0.000 0.282 56 S C 0.975 175.689 174.600 0.190 0.000 1.336 56 S CA -0.072 58.182 58.200 0.090 0.000 1.037 56 S CB 0.128 63.370 63.200 0.070 0.000 0.853 56 S HN 0.595 nan 8.310 nan 0.000 0.523 57 L N 0.922 122.295 121.223 0.250 0.000 2.291 57 L HA -0.054 4.287 4.340 0.001 0.000 0.214 57 L C 1.861 178.803 176.870 0.119 0.000 1.120 57 L CA 1.019 55.972 54.840 0.189 0.000 0.799 57 L CB -0.503 41.665 42.059 0.181 0.000 0.925 57 L HN 0.724 nan 8.230 nan 0.000 0.446 58 D N -0.014 120.488 120.400 0.170 0.000 2.091 58 D HA -0.174 4.466 4.640 0.001 0.000 0.199 58 D C 1.884 178.215 176.300 0.052 0.000 0.980 58 D CA 1.023 55.116 54.000 0.156 0.000 0.831 58 D CB -0.181 40.700 40.800 0.135 0.000 0.987 58 D HN 0.336 nan 8.370 nan 0.000 0.460 59 E N 0.463 120.695 120.200 0.052 0.000 2.118 59 E HA -0.106 4.244 4.350 0.001 0.000 0.195 59 E C 2.198 178.809 176.600 0.017 0.000 0.992 59 E CA 0.468 56.885 56.400 0.028 0.000 0.804 59 E CB -0.074 29.646 29.700 0.034 0.000 0.741 59 E HN 0.248 nan 8.360 nan 0.000 0.458 60 L N 0.909 122.153 121.223 0.035 0.000 2.478 60 L HA -0.065 4.276 4.340 0.001 0.000 0.223 60 L C 2.344 179.222 176.870 0.012 0.000 1.140 60 L CA -0.109 54.755 54.840 0.040 0.000 0.842 60 L CB -0.198 41.908 42.059 0.078 0.000 0.953 60 L HN 0.229 nan 8.230 nan 0.000 0.452 61 L N 1.098 122.279 121.223 -0.069 0.000 1.991 61 L HA -0.221 4.120 4.340 0.001 0.000 0.221 61 L C -0.400 176.340 176.870 -0.217 0.000 1.079 61 L CA 2.244 56.946 54.840 -0.230 0.000 0.778 61 L CB -1.168 40.612 42.059 -0.466 0.000 0.893 61 L HN 0.147 nan 8.230 nan 0.000 0.437 62 P HA -0.224 nan 4.420 nan 0.000 0.214 62 P C 1.905 179.241 177.300 0.061 0.000 1.163 62 P CA 1.727 64.787 63.100 -0.066 0.000 0.889 62 P CB -0.133 31.544 31.700 -0.038 0.000 0.790 63 M N -1.010 118.627 119.600 0.061 0.000 2.065 63 M HA -0.162 4.319 4.480 0.001 0.000 0.259 63 M C 2.188 178.566 176.300 0.131 0.000 1.071 63 M CA 2.318 57.669 55.300 0.086 0.000 1.109 63 M CB -1.833 30.813 32.600 0.076 0.000 1.313 63 M HN -0.106 nan 8.290 nan 0.000 0.408 64 A N 0.208 123.131 122.820 0.172 0.000 1.884 64 A HA -0.238 4.083 4.320 0.001 0.000 0.219 64 A C 1.971 179.668 177.584 0.188 0.000 1.197 64 A CA 1.968 54.127 52.037 0.202 0.000 0.637 64 A CB -1.203 17.942 19.000 0.243 0.000 0.827 64 A HN 0.386 nan 8.150 nan 0.000 0.450 65 F N 0.018 119.944 119.950 -0.039 0.000 2.065 65 F HA -0.175 4.353 4.527 0.002 0.000 0.298 65 F C 2.910 178.659 175.800 -0.086 0.000 1.112 65 F CA 0.899 58.867 58.000 -0.054 0.000 1.212 65 F CB -1.114 37.868 39.000 -0.029 0.000 0.975 65 F HN 0.278 nan 8.300 nan 0.000 0.476 66 A N 0.099 123.005 122.820 0.144 0.000 1.917 66 A HA -0.186 4.135 4.320 0.001 0.000 0.219 66 A C 2.318 179.877 177.584 -0.041 0.000 1.182 66 A CA 1.822 53.879 52.037 0.033 0.000 0.633 66 A CB -1.220 17.808 19.000 0.047 0.000 0.819 66 A HN 0.405 nan 8.150 nan 0.000 0.448 67 L N -0.860 120.356 121.223 -0.011 0.000 2.046 67 L HA -0.163 4.177 4.340 0.001 0.000 0.208 67 L C 2.759 179.559 176.870 -0.116 0.000 1.077 67 L CA 1.797 56.618 54.840 -0.031 0.000 0.747 67 L CB -0.844 41.237 42.059 0.037 0.000 0.896 67 L HN 0.349 nan 8.230 nan 0.000 0.432 68 T N -1.085 113.365 114.554 -0.173 0.000 2.867 68 T HA -0.186 4.164 4.350 0.001 0.000 0.268 68 T C 1.963 176.386 174.700 -0.461 0.000 1.057 68 T CA 1.108 63.047 62.100 -0.268 0.000 1.136 68 T CB -0.169 68.530 68.868 -0.281 0.000 0.874 68 T HN 0.266 nan 8.240 nan 0.000 0.466 69 R N 1.017 121.196 120.500 -0.536 0.000 2.070 69 R HA -0.117 4.224 4.340 0.001 0.000 0.233 69 R C 2.328 178.365 176.300 -0.439 0.000 1.137 69 R CA 1.476 57.143 56.100 -0.722 0.000 0.945 69 R CB -0.132 29.917 30.300 -0.419 0.000 0.845 69 R HN 0.120 nan 8.270 nan 0.000 0.430 70 E N 0.355 120.383 120.200 -0.286 0.000 2.077 70 E HA -0.137 4.214 4.350 0.001 0.000 0.193 70 E C 1.964 178.350 176.600 -0.357 0.000 0.989 70 E CA 1.784 58.038 56.400 -0.244 0.000 0.800 70 E CB -0.110 29.499 29.700 -0.151 0.000 0.746 70 E HN 0.496 nan 8.360 nan 0.000 0.452 71 S N -0.148 115.343 115.700 -0.348 0.000 2.399 71 S HA -0.081 4.389 4.470 0.001 0.000 0.231 71 S C 2.181 176.456 174.600 -0.541 0.000 1.022 71 S CA 1.042 58.939 58.200 -0.505 0.000 0.983 71 S CB -0.300 62.876 63.200 -0.041 0.000 0.803 71 S HN 0.277 nan 8.310 nan 0.000 0.480 72 A N 2.012 124.607 122.820 -0.376 0.000 1.929 72 A HA 0.051 4.372 4.320 0.001 0.000 0.216 72 A C 2.217 179.632 177.584 -0.282 0.000 1.176 72 A CA 1.507 53.364 52.037 -0.299 0.000 0.628 72 A CB -0.590 18.246 19.000 -0.272 0.000 0.816 72 A HN 0.576 nan 8.150 nan 0.000 0.444 73 K N -0.403 119.815 120.400 -0.303 0.000 2.057 73 K HA -0.103 4.217 4.320 0.001 0.000 0.206 73 K C 2.257 178.721 176.600 -0.226 0.000 1.050 73 K CA 1.279 57.433 56.287 -0.223 0.000 0.935 73 K CB -0.095 32.291 32.500 -0.190 0.000 0.715 73 K HN 0.466 nan 8.250 nan 0.000 0.439 74 R N -0.927 119.338 120.500 -0.392 0.000 2.057 74 R HA -0.047 4.294 4.340 0.001 0.000 0.224 74 R C 2.073 178.290 176.300 -0.138 0.000 1.136 74 R CA 1.585 57.474 56.100 -0.351 0.000 0.968 74 R CB -0.278 29.665 30.300 -0.594 0.000 0.863 74 R HN 0.317 nan 8.270 nan 0.000 0.433 75 Y N -0.536 119.809 120.300 0.074 0.000 2.523 75 Y HA 0.132 4.682 4.550 0.001 0.000 0.279 75 Y C 1.898 177.770 175.900 -0.047 0.000 1.139 75 Y CA -0.087 58.077 58.100 0.106 0.000 1.296 75 Y CB 0.303 38.797 38.460 0.057 0.000 1.045 75 Y HN 0.022 nan 8.280 nan 0.000 0.538 76 L N -1.554 119.645 121.223 -0.041 0.000 2.758 76 L HA 0.450 4.791 4.340 0.001 0.000 0.234 76 L C 1.325 178.144 176.870 -0.085 0.000 1.049 76 L CA 0.838 55.615 54.840 -0.105 0.000 0.908 76 L CB 0.818 42.741 42.059 -0.226 0.000 1.362 76 L HN 0.155 nan 8.230 nan 0.000 0.499 77 G N 1.034 109.776 108.800 -0.098 0.000 2.165 77 G HA2 -0.216 3.745 3.960 0.001 0.000 0.226 77 G HA3 -0.216 3.745 3.960 0.001 0.000 0.226 77 G C -0.049 174.807 174.900 -0.073 0.000 1.035 77 G CA 0.267 45.326 45.100 -0.069 0.000 0.744 77 G HN 0.113 nan 8.290 nan 0.000 0.501 78 M N 0.854 120.386 119.600 -0.113 0.000 2.090 78 M HA 0.300 4.781 4.480 0.001 0.000 0.277 78 M C 0.515 176.742 176.300 -0.121 0.000 0.935 78 M CA -0.741 54.488 55.300 -0.118 0.000 0.966 78 M CB 1.435 33.922 32.600 -0.189 0.000 1.635 78 M HN 0.494 nan 8.290 nan 0.000 0.446 79 R N 3.193 123.640 120.500 -0.089 0.000 2.438 79 R HA 0.294 4.635 4.340 0.001 0.000 0.287 79 R C -0.851 175.371 176.300 -0.129 0.000 1.077 79 R CA -0.216 55.840 56.100 -0.073 0.000 1.034 79 R CB 0.377 30.669 30.300 -0.013 0.000 0.993 79 R HN 0.614 nan 8.270 nan 0.000 0.459 80 H N 3.827 122.718 119.070 -0.298 0.000 3.026 80 H HA 0.001 4.558 4.556 0.001 0.000 0.289 80 H C -0.144 175.065 175.328 -0.198 0.000 1.022 80 H CA -0.339 55.488 56.048 -0.367 0.000 1.477 80 H CB 0.189 29.807 29.762 -0.239 0.000 1.510 80 H HN 0.394 nan 8.280 nan 0.000 0.535 81 F N 2.046 122.038 119.950 0.069 0.000 2.545 81 F HA -0.103 4.424 4.527 0.001 0.000 0.348 81 F C 1.519 177.370 175.800 0.085 0.000 1.163 81 F CA -0.768 57.270 58.000 0.063 0.000 1.331 81 F CB 0.433 39.454 39.000 0.035 0.000 1.138 81 F HN 0.528 nan 8.300 nan 0.000 0.602 82 D N 0.918 121.506 120.400 0.314 0.000 2.149 82 D HA -0.198 4.443 4.640 0.001 0.000 0.194 82 D C 2.277 178.692 176.300 0.191 0.000 1.001 82 D CA 1.938 56.100 54.000 0.271 0.000 0.849 82 D CB -0.514 40.504 40.800 0.364 0.000 0.939 82 D HN 0.395 nan 8.370 nan 0.000 0.449 83 V N -1.355 118.667 119.914 0.179 0.000 2.427 83 V HA -0.246 3.875 4.120 0.001 0.000 0.248 83 V C 1.979 178.102 176.094 0.049 0.000 1.051 83 V CA 1.444 63.781 62.300 0.062 0.000 1.048 83 V CB -0.935 30.935 31.823 0.079 0.000 0.666 83 V HN 0.135 nan 8.190 nan 0.000 0.456 84 Q N 0.104 119.963 119.800 0.099 0.000 2.226 84 Q HA -0.000 4.341 4.340 0.001 0.000 0.204 84 Q C 2.268 178.262 176.000 -0.009 0.000 0.975 84 Q CA 1.630 57.428 55.803 -0.009 0.000 0.866 84 Q CB -0.272 28.378 28.738 -0.147 0.000 0.915 84 Q HN 0.631 nan 8.270 nan 0.000 0.440 85 L N 0.106 121.372 121.223 0.073 0.000 2.201 85 L HA -0.139 4.202 4.340 0.001 0.000 0.212 85 L C 2.038 178.984 176.870 0.128 0.000 1.105 85 L CA 0.690 55.631 54.840 0.169 0.000 0.775 85 L CB -0.218 41.975 42.059 0.224 0.000 0.913 85 L HN 0.269 nan 8.230 nan 0.000 0.440 86 I N -0.718 119.839 120.570 -0.022 0.000 2.277 86 I HA -0.098 4.073 4.170 0.001 0.000 0.243 86 I C 2.692 178.685 176.117 -0.207 0.000 1.094 86 I CA 1.117 62.299 61.300 -0.197 0.000 1.393 86 I CB -1.038 36.826 38.000 -0.226 0.000 1.078 86 I HN 0.189 nan 8.210 nan 0.000 0.417 87 G N 1.189 109.925 108.800 -0.106 0.000 2.469 87 G HA2 -0.243 3.718 3.960 0.001 0.000 0.219 87 G HA3 -0.243 3.718 3.960 0.001 0.000 0.219 87 G C 1.715 176.581 174.900 -0.057 0.000 1.150 87 G CA 1.062 46.110 45.100 -0.087 0.000 0.763 87 G HN 0.500 nan 8.290 nan 0.000 0.561 88 G N 1.196 109.994 108.800 -0.003 0.000 2.459 88 G HA2 -0.017 3.944 3.960 0.001 0.000 0.217 88 G HA3 -0.017 3.944 3.960 0.001 0.000 0.217 88 G C 2.110 177.158 174.900 0.247 0.000 1.183 88 G CA 1.811 46.952 45.100 0.069 0.000 0.776 88 G HN 0.714 nan 8.290 nan 0.000 0.552 89 A N 0.061 123.031 122.820 0.251 0.000 1.873 89 A HA -0.034 4.286 4.320 0.001 0.000 0.218 89 A C 2.636 180.209 177.584 -0.019 0.000 1.193 89 A CA 2.220 54.305 52.037 0.080 0.000 0.629 89 A CB -0.945 17.885 19.000 -0.285 0.000 0.826 89 A HN 0.341 nan 8.150 nan 0.000 0.447 90 V N -0.181 119.604 119.914 -0.215 0.000 2.324 90 V HA -0.298 3.823 4.120 0.001 0.000 0.250 90 V C 2.579 178.684 176.094 0.018 0.000 1.060 90 V CA 2.110 64.358 62.300 -0.087 0.000 1.042 90 V CB -0.748 31.018 31.823 -0.096 0.000 0.650 90 V HN 0.567 nan 8.190 nan 0.000 0.450 91 L N -0.699 120.552 121.223 0.047 0.000 1.994 91 L HA -0.241 4.099 4.340 0.001 0.000 0.208 91 L C 2.631 179.650 176.870 0.250 0.000 1.071 91 L CA 2.248 57.151 54.840 0.105 0.000 0.745 91 L CB -0.767 41.352 42.059 0.101 0.000 0.892 91 L HN 0.494 nan 8.230 nan 0.000 0.431 92 H N 0.183 119.357 119.070 0.174 0.000 2.387 92 H HA -0.156 4.400 4.556 0.001 0.000 0.299 92 H C 1.427 176.822 175.328 0.111 0.000 1.090 92 H CA 1.268 57.402 56.048 0.143 0.000 1.332 92 H CB 0.280 30.135 29.762 0.156 0.000 1.386 92 H HN 0.424 nan 8.280 nan 0.000 0.516 93 E N 0.335 120.495 120.200 -0.067 0.000 2.533 93 E HA -0.009 4.342 4.350 0.001 0.000 0.201 93 E C 0.705 177.284 176.600 -0.033 0.000 1.097 93 E CA 0.398 56.729 56.400 -0.115 0.000 0.887 93 E CB -0.203 29.517 29.700 0.035 0.000 0.855 93 E HN 0.706 nan 8.360 nan 0.000 0.540 94 G N 2.195 111.018 108.800 0.038 0.000 2.350 94 G HA2 -0.307 3.654 3.960 0.001 0.000 0.298 94 G HA3 -0.307 3.654 3.960 0.001 0.000 0.298 94 G C -0.134 174.764 174.900 -0.004 0.000 1.037 94 G CA 0.942 46.076 45.100 0.057 0.000 1.074 94 G HN 0.203 nan 8.290 nan 0.000 0.511 95 K N -1.000 119.388 120.400 -0.020 0.000 2.283 95 K HA 0.718 5.039 4.320 0.001 0.000 0.257 95 K C -0.141 176.393 176.600 -0.110 0.000 1.066 95 K CA -1.265 54.996 56.287 -0.043 0.000 0.891 95 K CB 1.289 33.800 32.500 0.017 0.000 1.438 95 K HN 0.028 nan 8.250 nan 0.000 0.464 96 I N 1.798 122.292 120.570 -0.126 0.000 2.339 96 I HA 0.314 4.484 4.170 0.001 0.000 0.290 96 I C -0.329 175.734 176.117 -0.091 0.000 0.994 96 I CA -0.502 60.686 61.300 -0.187 0.000 1.191 96 I CB 1.002 38.821 38.000 -0.302 0.000 1.343 96 I HN 0.624 nan 8.210 nan 0.000 0.458 97 A N 6.085 128.850 122.820 -0.091 0.000 2.274 97 A HA 0.416 4.737 4.320 0.001 0.000 0.309 97 A C 0.055 177.610 177.584 -0.048 0.000 1.226 97 A CA -0.560 51.446 52.037 -0.052 0.000 0.853 97 A CB 0.524 19.488 19.000 -0.060 0.000 1.146 97 A HN 0.757 nan 8.150 nan 0.000 0.518 98 E N 2.991 123.181 120.200 -0.017 0.000 2.115 98 E HA 0.568 4.918 4.350 0.001 0.000 0.282 98 E C -1.054 175.545 176.600 -0.001 0.000 0.987 98 E CA -0.145 56.252 56.400 -0.006 0.000 0.797 98 E CB 0.541 30.252 29.700 0.019 0.000 1.086 98 E HN 0.689 nan 8.360 nan 0.000 0.397 99 M N 4.506 124.103 119.600 -0.005 0.000 2.271 99 M HA 0.248 4.729 4.480 0.001 0.000 0.285 99 M C 0.539 176.845 176.300 0.010 0.000 1.059 99 M CA -0.983 54.319 55.300 0.005 0.000 0.940 99 M CB 2.010 34.610 32.600 0.000 0.000 1.636 99 M HN 0.326 nan 8.290 nan 0.000 0.460 100 K N 0.636 121.047 120.400 0.017 0.000 2.009 100 K HA 0.000 4.321 4.320 0.001 0.000 0.210 100 K C 0.422 177.035 176.600 0.022 0.000 1.049 100 K CA 1.308 57.606 56.287 0.019 0.000 0.929 100 K CB -0.077 32.435 32.500 0.021 0.000 0.714 100 K HN 0.611 nan 8.250 nan 0.000 0.440 101 T N -0.401 114.173 114.554 0.032 0.000 2.881 101 T HA 0.420 4.771 4.350 0.001 0.000 0.291 101 T C 0.596 175.328 174.700 0.053 0.000 0.990 101 T CA -0.027 62.095 62.100 0.037 0.000 0.976 101 T CB 1.809 70.698 68.868 0.035 0.000 0.970 101 T HN 0.428 nan 8.240 nan 0.000 0.438 102 G N 4.115 112.941 108.800 0.044 0.000 2.714 102 G HA2 -0.461 3.500 3.960 0.001 0.000 0.368 102 G HA3 -0.461 3.500 3.960 0.001 0.000 0.368 102 G C 1.227 176.184 174.900 0.095 0.000 1.034 102 G CA 1.991 47.124 45.100 0.055 0.000 0.867 102 G HN 0.977 nan 8.290 nan 0.000 0.751 103 E N 0.992 121.276 120.200 0.140 0.000 2.164 103 E HA -0.044 4.307 4.350 0.001 0.000 0.206 103 E C 2.524 179.212 176.600 0.147 0.000 1.032 103 E CA 2.806 59.356 56.400 0.249 0.000 0.832 103 E CB -1.216 28.670 29.700 0.309 0.000 0.742 103 E HN 0.973 nan 8.360 nan 0.000 0.460 104 G N 0.669 109.537 108.800 0.113 0.000 2.469 104 G HA2 -0.364 3.597 3.960 0.001 0.000 0.219 104 G HA3 -0.364 3.597 3.960 0.001 0.000 0.219 104 G C 1.488 176.383 174.900 -0.008 0.000 1.150 104 G CA 1.360 46.503 45.100 0.072 0.000 0.763 104 G HN 0.335 nan 8.290 nan 0.000 0.561 105 K N -0.154 120.256 120.400 0.018 0.000 2.002 105 K HA -0.043 4.278 4.320 0.001 0.000 0.209 105 K C 2.830 179.418 176.600 -0.020 0.000 1.048 105 K CA 1.725 58.007 56.287 -0.008 0.000 0.930 105 K CB -0.589 31.916 32.500 0.008 0.000 0.714 105 K HN 0.220 nan 8.250 nan 0.000 0.438 106 T N 1.804 116.384 114.554 0.042 0.000 2.607 106 T HA -0.179 4.172 4.350 0.001 0.000 0.267 106 T C 1.721 176.354 174.700 -0.111 0.000 1.049 106 T CA 1.484 63.615 62.100 0.053 0.000 1.162 106 T CB -0.358 68.660 68.868 0.251 0.000 0.863 106 T HN 0.078 nan 8.240 nan 0.000 0.424 107 L N 1.283 122.354 121.223 -0.254 0.000 2.079 107 L HA -0.032 4.308 4.340 0.001 0.000 0.210 107 L C 2.403 179.009 176.870 -0.439 0.000 1.081 107 L CA 1.329 55.896 54.840 -0.454 0.000 0.752 107 L CB -0.667 41.018 42.059 -0.624 0.000 0.896 107 L HN 0.093 nan 8.230 nan 0.000 0.433 108 V N -0.129 119.595 119.914 -0.317 0.000 2.594 108 V HA -0.289 3.832 4.120 0.001 0.000 0.253 108 V C 2.738 178.734 176.094 -0.164 0.000 1.069 108 V CA 1.371 63.522 62.300 -0.249 0.000 1.082 108 V CB -1.279 30.452 31.823 -0.153 0.000 0.680 108 V HN 0.619 nan 8.190 nan 0.000 0.469 109 A N 1.010 123.764 122.820 -0.111 0.000 1.858 109 A HA -0.269 4.051 4.320 0.001 0.000 0.216 109 A C 2.572 180.168 177.584 0.019 0.000 1.190 109 A CA 2.740 54.759 52.037 -0.031 0.000 0.617 109 A CB -1.227 17.780 19.000 0.012 0.000 0.827 109 A HN 0.636 nan 8.150 nan 0.000 0.443 110 T N -1.033 113.524 114.554 0.006 0.000 2.685 110 T HA -0.241 4.109 4.350 0.001 0.000 0.268 110 T C 1.813 176.509 174.700 -0.007 0.000 1.034 110 T CA 1.664 63.825 62.100 0.100 0.000 1.149 110 T CB -0.833 67.951 68.868 -0.140 0.000 0.860 110 T HN 0.297 nan 8.240 nan 0.000 0.449 111 L N 1.220 122.345 121.223 -0.164 0.000 1.951 111 L HA -0.175 4.165 4.340 0.001 0.000 0.222 111 L C 3.365 179.926 176.870 -0.514 0.000 1.078 111 L CA 1.989 56.536 54.840 -0.489 0.000 0.778 111 L CB -1.000 40.689 42.059 -0.616 0.000 0.893 111 L HN 0.471 nan 8.230 nan 0.000 0.436 112 A N -0.908 121.759 122.820 -0.257 0.000 1.902 112 A HA -0.174 4.147 4.320 0.001 0.000 0.217 112 A C 2.243 179.839 177.584 0.020 0.000 1.181 112 A CA 1.811 53.837 52.037 -0.018 0.000 0.623 112 A CB -0.966 18.144 19.000 0.183 0.000 0.818 112 A HN 0.278 nan 8.150 nan 0.000 0.443 113 V N -0.153 119.801 119.914 0.068 0.000 2.370 113 V HA -0.340 3.781 4.120 0.001 0.000 0.252 113 V C 2.978 179.060 176.094 -0.019 0.000 1.068 113 V CA 2.169 64.520 62.300 0.085 0.000 1.061 113 V CB -1.224 30.681 31.823 0.136 0.000 0.656 113 V HN 0.664 nan 8.190 nan 0.000 0.455 114 A N -0.428 122.352 122.820 -0.065 0.000 1.832 114 A HA -0.153 4.167 4.320 0.001 0.000 0.214 114 A C 2.126 179.666 177.584 -0.075 0.000 1.204 114 A CA 1.810 53.756 52.037 -0.153 0.000 0.606 114 A CB -0.739 18.124 19.000 -0.228 0.000 0.849 114 A HN 0.419 nan 8.150 nan 0.000 0.445 115 L N 0.975 122.162 121.223 -0.060 0.000 2.089 115 L HA -0.239 4.102 4.340 0.001 0.000 0.213 115 L C 1.657 178.474 176.870 -0.089 0.000 1.079 115 L CA 2.364 57.190 54.840 -0.024 0.000 0.758 115 L CB -0.693 41.362 42.059 -0.006 0.000 0.891 115 L HN 0.514 nan 8.230 nan 0.000 0.433 116 N N -1.384 117.255 118.700 -0.101 0.000 2.373 116 N HA 0.072 4.813 4.740 0.001 0.000 0.181 116 N C 1.544 177.028 175.510 -0.043 0.000 1.082 116 N CA 0.643 53.623 53.050 -0.117 0.000 0.885 116 N CB 0.137 38.452 38.487 -0.288 0.000 0.977 116 N HN 0.425 nan 8.380 nan 0.000 0.462 117 A N 1.174 123.994 122.820 0.000 0.000 2.167 117 A HA 0.067 4.388 4.320 0.001 0.000 0.214 117 A C 2.154 179.778 177.584 0.066 0.000 1.151 117 A CA 0.195 52.248 52.037 0.026 0.000 0.735 117 A CB -0.319 18.683 19.000 0.003 0.000 0.802 117 A HN 0.121 nan 8.150 nan 0.000 0.467 118 L N 0.040 121.308 121.223 0.075 0.000 1.978 118 L HA -0.257 4.084 4.340 0.001 0.000 0.218 118 L C 3.081 179.871 176.870 -0.134 0.000 1.075 118 L CA 2.178 56.989 54.840 -0.048 0.000 0.767 118 L CB -1.131 40.799 42.059 -0.216 0.000 0.890 118 L HN 0.642 nan 8.230 nan 0.000 0.434 119 T N -2.402 112.030 114.554 -0.204 0.000 2.896 119 T HA -0.175 4.176 4.350 0.001 0.000 0.270 119 T C 1.584 176.207 174.700 -0.128 0.000 1.104 119 T CA 0.944 62.946 62.100 -0.163 0.000 1.115 119 T CB -0.962 67.784 68.868 -0.203 0.000 0.843 119 T HN 0.637 nan 8.240 nan 0.000 0.523 120 G N 1.568 110.308 108.800 -0.100 0.000 2.225 120 G HA2 -0.387 3.573 3.960 0.001 0.000 0.272 120 G HA3 -0.387 3.573 3.960 0.001 0.000 0.272 120 G C 0.833 175.685 174.900 -0.080 0.000 0.996 120 G CA 0.909 45.974 45.100 -0.057 0.000 0.710 120 G HN 0.634 nan 8.290 nan 0.000 0.522 121 K N 0.054 120.309 120.400 -0.243 0.000 2.365 121 K HA 0.355 4.676 4.320 0.001 0.000 0.199 121 K C 1.385 177.904 176.600 -0.135 0.000 1.045 121 K CA 0.611 56.708 56.287 -0.316 0.000 0.962 121 K CB 0.048 31.882 32.500 -1.111 0.000 0.759 121 K HN 1.428 nan 8.250 nan 0.000 0.469 122 G N -0.018 108.730 108.800 -0.086 0.000 2.428 122 G HA2 -0.004 3.956 3.960 0.001 0.000 0.681 122 G HA3 -0.004 3.956 3.960 0.001 0.000 0.681 122 G C -1.489 173.555 174.900 0.239 0.000 1.340 122 G CA -1.134 44.022 45.100 0.093 0.000 0.915 122 G HN -0.068 nan 8.290 nan 0.000 0.645 123 V N 2.066 122.087 119.914 0.179 0.000 2.655 123 V HA 0.544 4.664 4.120 0.001 0.000 0.301 123 V C -0.847 175.316 176.094 0.116 0.000 1.082 123 V CA -0.982 61.499 62.300 0.302 0.000 0.899 123 V CB 1.950 33.903 31.823 0.217 0.000 1.014 123 V HN 0.967 nan 8.190 nan 0.000 0.429 124 H N 2.762 121.965 119.070 0.222 0.000 2.459 124 H HA 0.750 5.306 4.556 0.001 0.000 0.332 124 H C -0.512 174.784 175.328 -0.054 0.000 1.094 124 H CA -0.633 55.502 56.048 0.146 0.000 1.224 124 H CB 2.000 31.961 29.762 0.332 0.000 1.449 124 H HN 0.370 nan 8.280 nan 0.000 0.484 125 V N 4.369 124.231 119.914 -0.087 0.000 2.409 125 V HA 0.227 4.348 4.120 0.001 0.000 0.290 125 V C -0.651 175.329 176.094 -0.191 0.000 1.017 125 V CA -0.695 61.431 62.300 -0.289 0.000 0.841 125 V CB 1.736 33.134 31.823 -0.708 0.000 1.003 125 V HN 0.580 nan 8.190 nan 0.000 0.426 126 V N 5.665 125.534 119.914 -0.075 0.000 2.547 126 V HA 0.855 4.976 4.120 0.001 0.000 0.299 126 V C 0.037 176.129 176.094 -0.003 0.000 1.040 126 V CA 0.271 62.591 62.300 0.034 0.000 0.913 126 V CB 2.325 34.261 31.823 0.189 0.000 0.992 126 V HN 0.939 nan 8.190 nan 0.000 0.449 127 T N 4.123 118.706 114.554 0.047 0.000 2.887 127 T HA 0.367 4.718 4.350 0.001 0.000 0.292 127 T C 1.050 175.775 174.700 0.041 0.000 1.087 127 T CA 0.085 62.202 62.100 0.028 0.000 1.009 127 T CB 1.480 70.377 68.868 0.049 0.000 1.203 127 T HN 1.054 nan 8.240 nan 0.000 0.518 128 V N -0.923 118.999 119.914 0.014 0.000 2.568 128 V HA -0.013 4.108 4.120 0.001 0.000 0.253 128 V C 0.447 176.555 176.094 0.025 0.000 1.072 128 V CA 1.397 63.706 62.300 0.014 0.000 1.084 128 V CB -1.625 30.197 31.823 -0.001 0.000 0.676 128 V HN 0.957 nan 8.190 nan 0.000 0.469 129 N N -2.467 116.237 118.700 0.007 0.000 2.494 129 N HA 0.307 5.048 4.740 0.001 0.000 0.270 129 N C -0.118 175.405 175.510 0.021 0.000 1.285 129 N CA -0.326 52.717 53.050 -0.011 0.000 0.812 129 N CB 0.917 39.296 38.487 -0.179 0.000 1.557 129 N HN -0.117 nan 8.380 nan 0.000 0.487 130 D N -0.244 120.185 120.400 0.049 0.000 2.092 130 D HA -0.209 4.432 4.640 0.001 0.000 0.193 130 D C 1.246 177.568 176.300 0.036 0.000 0.994 130 D CA 1.627 55.667 54.000 0.068 0.000 0.828 130 D CB -0.343 40.515 40.800 0.097 0.000 0.963 130 D HN 0.631 nan 8.370 nan 0.000 0.450 131 Y N 1.914 122.183 120.300 -0.051 0.000 2.029 131 Y HA -0.305 4.246 4.550 0.001 0.000 0.269 131 Y C 2.336 178.200 175.900 -0.059 0.000 1.201 131 Y CA 1.737 59.802 58.100 -0.058 0.000 1.115 131 Y CB -0.668 37.721 38.460 -0.118 0.000 0.945 131 Y HN -0.054 nan 8.280 nan 0.000 0.497 132 L N -0.320 120.863 121.223 -0.066 0.000 2.083 132 L HA -0.230 4.111 4.340 0.001 0.000 0.209 132 L C 2.852 179.686 176.870 -0.060 0.000 1.083 132 L CA 1.059 55.845 54.840 -0.090 0.000 0.752 132 L CB -1.125 40.975 42.059 0.068 0.000 0.899 132 L HN 0.456 nan 8.230 nan 0.000 0.433 133 A N 0.163 122.994 122.820 0.018 0.000 1.865 133 A HA -0.267 4.054 4.320 0.001 0.000 0.217 133 A C 2.454 180.044 177.584 0.010 0.000 1.191 133 A CA 1.897 54.014 52.037 0.133 0.000 0.623 133 A CB -0.635 18.447 19.000 0.136 0.000 0.826 133 A HN 0.328 nan 8.150 nan 0.000 0.444 134 R N -0.503 119.937 120.500 -0.100 0.000 2.088 134 R HA -0.208 4.132 4.340 0.001 0.000 0.232 134 R C 2.513 178.670 176.300 -0.239 0.000 1.136 134 R CA 1.946 57.949 56.100 -0.162 0.000 0.926 134 R CB -0.435 29.755 30.300 -0.183 0.000 0.837 134 R HN 0.588 nan 8.270 nan 0.000 0.429 135 R N 0.431 120.702 120.500 -0.381 0.000 2.132 135 R HA -0.205 4.135 4.340 0.001 0.000 0.233 135 R C 1.822 178.031 176.300 -0.152 0.000 1.125 135 R CA 2.495 58.365 56.100 -0.383 0.000 0.914 135 R CB -0.615 29.302 30.300 -0.637 0.000 0.845 135 R HN 0.340 nan 8.270 nan 0.000 0.431 136 D N 0.031 120.393 120.400 -0.064 0.000 2.149 136 D HA -0.214 4.427 4.640 0.001 0.000 0.194 136 D C 1.756 177.920 176.300 -0.226 0.000 1.001 136 D CA 1.656 55.712 54.000 0.094 0.000 0.849 136 D CB -0.383 40.585 40.800 0.280 0.000 0.939 136 D HN 0.500 nan 8.370 nan 0.000 0.449 137 A N 1.392 123.868 122.820 -0.572 0.000 1.851 137 A HA -0.252 4.069 4.320 0.001 0.000 0.216 137 A C 2.152 179.529 177.584 -0.344 0.000 1.195 137 A CA 2.441 54.002 52.037 -0.794 0.000 0.622 137 A CB -0.694 17.921 19.000 -0.642 0.000 0.831 137 A HN 0.378 nan 8.150 nan 0.000 0.444 138 E N -1.794 118.287 120.200 -0.198 0.000 2.106 138 E HA -0.229 4.122 4.350 0.001 0.000 0.192 138 E C 1.720 178.298 176.600 -0.038 0.000 0.984 138 E CA 1.291 57.630 56.400 -0.102 0.000 0.806 138 E CB -0.651 29.008 29.700 -0.069 0.000 0.750 138 E HN 0.709 nan 8.360 nan 0.000 0.458 139 W N 0.820 121.981 121.300 -0.232 0.000 2.363 139 W HA 0.024 4.685 4.660 0.001 0.000 0.296 139 W C 1.717 178.098 176.519 -0.230 0.000 1.212 139 W CA 1.348 58.572 57.345 -0.201 0.000 1.260 139 W CB -0.101 29.250 29.460 -0.183 0.000 1.131 139 W HN 0.153 nan 8.180 nan 0.000 0.530 140 M N -0.327 119.094 119.600 -0.299 0.000 2.333 140 M HA 0.284 4.765 4.480 0.001 0.000 0.257 140 M C 2.002 177.998 176.300 -0.507 0.000 1.078 140 M CA 0.774 55.738 55.300 -0.560 0.000 1.005 140 M CB -0.119 32.090 32.600 -0.652 0.000 1.444 140 M HN -0.027 nan 8.290 nan 0.000 0.496 141 G N 2.061 110.677 108.800 -0.308 0.000 2.529 141 G HA2 -0.232 3.728 3.960 0.001 0.000 0.219 141 G HA3 -0.232 3.728 3.960 0.001 0.000 0.219 141 G C -0.780 173.948 174.900 -0.287 0.000 1.177 141 G CA 1.021 45.997 45.100 -0.207 0.000 0.773 141 G HN 0.370 nan 8.290 nan 0.000 0.573 142 P HA -0.083 nan 4.420 nan 0.000 0.215 142 P C 2.047 179.162 177.300 -0.308 0.000 1.153 142 P CA 1.458 64.190 63.100 -0.612 0.000 0.853 142 P CB -0.263 31.067 31.700 -0.617 0.000 0.788 143 V N -1.038 118.730 119.914 -0.244 0.000 2.343 143 V HA -0.248 3.872 4.120 0.001 0.000 0.247 143 V C 2.678 178.756 176.094 -0.026 0.000 1.051 143 V CA 1.814 64.032 62.300 -0.136 0.000 1.036 143 V CB -1.613 30.018 31.823 -0.320 0.000 0.654 143 V HN -0.052 nan 8.190 nan 0.000 0.451 144 Y N 1.081 121.293 120.300 -0.147 0.000 2.109 144 Y HA -0.125 4.426 4.550 0.001 0.000 0.285 144 Y C 2.730 178.556 175.900 -0.123 0.000 1.131 144 Y CA 1.252 59.271 58.100 -0.134 0.000 1.121 144 Y CB -0.962 37.428 38.460 -0.117 0.000 0.987 144 Y HN 0.179 nan 8.280 nan 0.000 0.495 145 R N -0.602 119.902 120.500 0.007 0.000 2.091 145 R HA -0.140 4.201 4.340 0.001 0.000 0.238 145 R C 2.481 178.771 176.300 -0.017 0.000 1.136 145 R CA 1.207 57.276 56.100 -0.052 0.000 0.959 145 R CB -1.157 29.021 30.300 -0.204 0.000 0.856 145 R HN 0.402 nan 8.270 nan 0.000 0.437 146 G N 0.861 109.614 108.800 -0.079 0.000 2.537 146 G HA2 -0.189 3.772 3.960 0.001 0.000 0.220 146 G HA3 -0.189 3.772 3.960 0.001 0.000 0.220 146 G C 1.201 176.209 174.900 0.179 0.000 1.111 146 G CA 0.576 45.654 45.100 -0.036 0.000 0.748 146 G HN 0.214 nan 8.290 nan 0.000 0.564 147 L N -0.932 120.360 121.223 0.115 0.000 2.858 147 L HA 0.349 4.690 4.340 0.001 0.000 0.251 147 L C 1.599 178.568 176.870 0.164 0.000 1.149 147 L CA 0.324 55.219 54.840 0.092 0.000 0.955 147 L CB 0.561 42.532 42.059 -0.147 0.000 1.289 147 L HN 0.266 nan 8.230 nan 0.000 0.542 148 G N 1.153 110.029 108.800 0.128 0.000 2.140 148 G HA2 -0.212 3.749 3.960 0.001 0.000 0.211 148 G HA3 -0.212 3.749 3.960 0.001 0.000 0.211 148 G C -0.236 174.738 174.900 0.122 0.000 1.013 148 G CA -0.385 44.802 45.100 0.145 0.000 0.705 148 G HN 0.155 nan 8.290 nan 0.000 0.508 149 L N 1.663 122.919 121.223 0.056 0.000 2.307 149 L HA 0.618 4.959 4.340 0.001 0.000 0.284 149 L C 0.950 177.807 176.870 -0.022 0.000 1.023 149 L CA -0.674 54.166 54.840 -0.001 0.000 0.810 149 L CB 1.939 43.929 42.059 -0.115 0.000 1.231 149 L HN 0.347 nan 8.230 nan 0.000 0.423 150 S N 1.861 117.545 115.700 -0.027 0.000 2.499 150 S HA 0.374 4.845 4.470 0.001 0.000 0.275 150 S C -0.210 174.360 174.600 -0.051 0.000 1.257 150 S CA -0.829 57.358 58.200 -0.022 0.000 1.050 150 S CB 1.218 64.415 63.200 -0.005 0.000 0.937 150 S HN 0.289 nan 8.310 nan 0.000 0.490 151 V N 3.927 123.826 119.914 -0.026 0.000 2.356 151 V HA 0.488 4.609 4.120 0.001 0.000 0.258 151 V C 1.011 177.098 176.094 -0.012 0.000 1.065 151 V CA -0.136 62.155 62.300 -0.014 0.000 0.935 151 V CB 0.429 32.253 31.823 0.001 0.000 1.061 151 V HN 1.064 nan 8.190 nan 0.000 0.484 152 G N 4.391 113.192 108.800 0.002 0.000 2.319 152 G HA2 0.557 4.518 3.960 0.001 0.000 0.308 152 G HA3 0.557 4.518 3.960 0.001 0.000 0.308 152 G C -0.878 174.027 174.900 0.008 0.000 1.117 152 G CA -0.273 44.816 45.100 -0.018 0.000 0.903 152 G HN 0.509 nan 8.290 nan 0.000 0.436 153 V N 4.207 124.108 119.914 -0.021 0.000 2.444 153 V HA 0.433 4.553 4.120 0.001 0.000 0.294 153 V C -0.189 175.887 176.094 -0.030 0.000 1.022 153 V CA -0.598 61.702 62.300 0.001 0.000 0.850 153 V CB 1.516 33.328 31.823 -0.017 0.000 0.992 153 V HN 0.652 nan 8.190 nan 0.000 0.426 154 I N 4.592 125.150 120.570 -0.020 0.000 2.404 154 I HA 0.510 4.680 4.170 0.001 0.000 0.293 154 I C -0.169 175.976 176.117 0.047 0.000 0.992 154 I CA -0.371 60.916 61.300 -0.022 0.000 1.149 154 I CB 1.704 39.657 38.000 -0.077 0.000 1.315 154 I HN 0.507 nan 8.210 nan 0.000 0.446 155 Q N 2.915 122.749 119.800 0.056 0.000 2.416 155 Q HA 0.238 4.579 4.340 0.001 0.000 0.279 155 Q C 0.395 176.475 176.000 0.133 0.000 1.101 155 Q CA -0.794 55.065 55.803 0.093 0.000 0.830 155 Q CB 1.819 30.599 28.738 0.071 0.000 1.402 155 Q HN 0.577 nan 8.270 nan 0.000 0.445 156 H N 1.519 120.614 119.070 0.042 0.000 2.319 156 H HA -0.100 4.457 4.556 0.001 0.000 0.299 156 H C 1.584 176.927 175.328 0.026 0.000 1.092 156 H CA 2.600 58.666 56.048 0.031 0.000 1.302 156 H CB 0.124 29.900 29.762 0.022 0.000 1.373 156 H HN 0.737 nan 8.280 nan 0.000 0.497 157 A N 0.465 123.289 122.820 0.008 0.000 2.076 157 A HA -0.071 4.250 4.320 0.001 0.000 0.220 157 A C 1.407 178.959 177.584 -0.054 0.000 1.160 157 A CA 0.845 52.842 52.037 -0.067 0.000 0.653 157 A CB -0.948 18.053 19.000 0.002 0.000 0.801 157 A HN 0.624 nan 8.150 nan 0.000 0.455 158 S N 0.920 116.611 115.700 -0.014 0.000 2.558 158 S HA 0.271 4.742 4.470 0.001 0.000 0.293 158 S C 0.415 175.011 174.600 -0.006 0.000 1.292 158 S CA 0.141 58.341 58.200 -0.001 0.000 1.063 158 S CB -0.175 63.034 63.200 0.015 0.000 0.831 158 S HN 0.657 nan 8.310 nan 0.000 0.499 159 T N 0.740 115.297 114.554 0.004 0.000 2.899 159 T HA 0.395 4.745 4.350 0.001 0.000 0.284 159 T C -1.632 173.090 174.700 0.036 0.000 1.004 159 T CA -1.859 60.248 62.100 0.010 0.000 1.043 159 T CB 0.634 69.508 68.868 0.010 0.000 1.013 159 T HN 0.452 nan 8.240 nan 0.000 0.518 160 P HA -0.226 nan 4.420 nan 0.000 0.218 160 P C 1.372 178.718 177.300 0.076 0.000 1.146 160 P CA 1.513 64.653 63.100 0.067 0.000 0.820 160 P CB -0.241 31.488 31.700 0.049 0.000 0.778 161 A N 1.056 123.910 122.820 0.055 0.000 1.823 161 A HA -0.182 4.139 4.320 0.001 0.000 0.214 161 A C 2.269 179.889 177.584 0.059 0.000 1.225 161 A CA 1.541 53.611 52.037 0.055 0.000 0.604 161 A CB -1.367 17.655 19.000 0.038 0.000 0.878 161 A HN 0.132 nan 8.150 nan 0.000 0.450 162 E N -0.136 120.088 120.200 0.040 0.000 2.136 162 E HA -0.287 4.064 4.350 0.001 0.000 0.202 162 E C 2.236 178.849 176.600 0.021 0.000 1.019 162 E CA 1.549 57.964 56.400 0.025 0.000 0.819 162 E CB -0.360 29.348 29.700 0.013 0.000 0.739 162 E HN 0.481 nan 8.360 nan 0.000 0.458 163 R N 0.478 121.009 120.500 0.050 0.000 2.080 163 R HA -0.130 4.210 4.340 0.001 0.000 0.236 163 R C 2.515 178.921 176.300 0.177 0.000 1.137 163 R CA 1.263 57.404 56.100 0.069 0.000 0.943 163 R CB -0.479 29.947 30.300 0.211 0.000 0.846 163 R HN 0.136 nan 8.270 nan 0.000 0.431 164 R N 1.400 122.036 120.500 0.226 0.000 2.105 164 R HA -0.147 4.193 4.340 0.001 0.000 0.239 164 R C 2.306 178.720 176.300 0.191 0.000 1.135 164 R CA 1.603 57.861 56.100 0.262 0.000 0.967 164 R CB -0.075 30.330 30.300 0.174 0.000 0.861 164 R HN 0.103 nan 8.270 nan 0.000 0.442 165 K N -0.112 120.352 120.400 0.106 0.000 2.025 165 K HA -0.120 4.201 4.320 0.001 0.000 0.207 165 K C 1.940 178.565 176.600 0.042 0.000 1.049 165 K CA 1.307 57.635 56.287 0.068 0.000 0.933 165 K CB -0.163 32.361 32.500 0.039 0.000 0.714 165 K HN 0.214 nan 8.250 nan 0.000 0.438 166 A N 0.810 123.620 122.820 -0.017 0.000 1.859 166 A HA -0.214 4.107 4.320 0.001 0.000 0.217 166 A C 1.983 179.505 177.584 -0.103 0.000 1.198 166 A CA 1.778 53.746 52.037 -0.116 0.000 0.629 166 A CB -1.260 17.583 19.000 -0.263 0.000 0.830 166 A HN 0.503 nan 8.150 nan 0.000 0.446 167 Y N -0.516 119.812 120.300 0.047 0.000 2.483 167 Y HA -0.017 4.533 4.550 0.001 0.000 0.291 167 Y C 1.943 177.861 175.900 0.030 0.000 1.143 167 Y CA 0.771 58.889 58.100 0.031 0.000 1.289 167 Y CB -0.315 38.211 38.460 0.109 0.000 0.983 167 Y HN 0.200 nan 8.280 nan 0.000 0.556 168 L N -0.455 120.874 121.223 0.178 0.000 2.610 168 L HA 0.105 4.446 4.340 0.001 0.000 0.232 168 L C 1.282 178.194 176.870 0.071 0.000 1.149 168 L CA -0.378 54.538 54.840 0.126 0.000 0.872 168 L CB -0.360 41.767 42.059 0.113 0.000 0.992 168 L HN 0.151 nan 8.230 nan 0.000 0.447 169 A N -0.739 122.105 122.820 0.040 0.000 2.287 169 A HA 0.094 4.415 4.320 0.001 0.000 0.273 169 A C 0.838 178.417 177.584 -0.007 0.000 1.091 169 A CA -0.463 51.579 52.037 0.008 0.000 0.817 169 A CB 0.340 19.331 19.000 -0.014 0.000 1.069 169 A HN 0.140 nan 8.150 nan 0.000 0.492 170 D N -0.659 119.727 120.400 -0.023 0.000 2.149 170 D HA -0.057 4.583 4.640 0.001 0.000 0.198 170 D C 0.268 176.523 176.300 -0.075 0.000 0.990 170 D CA 1.723 55.700 54.000 -0.039 0.000 0.839 170 D CB -0.049 40.725 40.800 -0.043 0.000 0.948 170 D HN 0.234 nan 8.370 nan 0.000 0.460 171 V N 0.323 120.167 119.914 -0.116 0.000 2.709 171 V HA 0.360 4.481 4.120 0.001 0.000 0.308 171 V C -0.248 175.830 176.094 -0.026 0.000 1.062 171 V CA -0.738 61.491 62.300 -0.119 0.000 0.901 171 V CB 2.283 33.940 31.823 -0.278 0.000 1.003 171 V HN -0.139 nan 8.190 nan 0.000 0.425 172 T N 3.173 117.701 114.554 -0.044 0.000 2.861 172 T HA 0.658 5.009 4.350 0.001 0.000 0.287 172 T C -1.299 173.444 174.700 0.071 0.000 1.003 172 T CA -0.429 61.669 62.100 -0.004 0.000 0.977 172 T CB 1.286 70.043 68.868 -0.185 0.000 0.996 172 T HN 0.406 nan 8.240 nan 0.000 0.448 173 Y N 1.787 122.074 120.300 -0.022 0.000 2.356 173 Y HA 0.614 5.164 4.550 0.001 0.000 0.334 173 Y C -0.082 175.838 175.900 0.034 0.000 0.958 173 Y CA -0.851 57.267 58.100 0.030 0.000 1.196 173 Y CB 1.001 39.479 38.460 0.030 0.000 1.137 173 Y HN 0.420 nan 8.280 nan 0.000 0.485 174 V N 1.230 121.243 119.914 0.165 0.000 3.130 174 V HA 0.557 4.677 4.120 0.001 0.000 0.310 174 V C -0.133 176.074 176.094 0.190 0.000 1.158 174 V CA -1.294 61.113 62.300 0.179 0.000 1.029 174 V CB 2.322 34.285 31.823 0.233 0.000 1.057 174 V HN 0.681 nan 8.190 nan 0.000 0.436 175 T N -1.412 113.257 114.554 0.192 0.000 2.899 175 T HA 0.222 4.573 4.350 0.001 0.000 0.284 175 T C 1.079 175.943 174.700 0.274 0.000 1.004 175 T CA 0.175 62.388 62.100 0.187 0.000 1.043 175 T CB 0.568 69.525 68.868 0.148 0.000 1.013 175 T HN 0.901 nan 8.240 nan 0.000 0.518 176 N N 1.234 120.118 118.700 0.306 0.000 2.166 176 N HA -0.201 4.540 4.740 0.001 0.000 0.186 176 N C 1.763 177.603 175.510 0.551 0.000 1.019 176 N CA 1.104 54.446 53.050 0.486 0.000 0.856 176 N CB -0.362 38.414 38.487 0.481 0.000 0.993 176 N HN 0.602 nan 8.380 nan 0.000 0.426 177 S N 0.393 116.367 115.700 0.457 0.000 2.383 177 S HA -0.087 4.383 4.470 0.001 0.000 0.227 177 S C 1.691 176.526 174.600 0.393 0.000 1.026 177 S CA 0.761 59.249 58.200 0.480 0.000 0.981 177 S CB -0.211 63.173 63.200 0.306 0.000 0.818 177 S HN 0.190 nan 8.310 nan 0.000 0.472 178 E N 1.861 122.233 120.200 0.285 0.000 2.007 178 E HA 0.002 4.353 4.350 0.001 0.000 0.194 178 E C 1.987 178.791 176.600 0.340 0.000 0.999 178 E CA 0.908 57.474 56.400 0.277 0.000 0.811 178 E CB -0.877 28.969 29.700 0.243 0.000 0.762 178 E HN 0.465 nan 8.360 nan 0.000 0.450 179 L N -0.044 121.401 121.223 0.370 0.000 2.189 179 L HA -0.170 4.170 4.340 0.001 0.000 0.214 179 L C 1.960 178.982 176.870 0.253 0.000 1.097 179 L CA 1.664 56.756 54.840 0.419 0.000 0.764 179 L CB -0.457 41.892 42.059 0.484 0.000 0.900 179 L HN 0.258 nan 8.230 nan 0.000 0.436 180 G N -0.725 108.181 108.800 0.177 0.000 2.424 180 G HA2 -0.266 3.694 3.960 0.001 0.000 0.214 180 G HA3 -0.266 3.694 3.960 0.001 0.000 0.214 180 G C 1.181 175.946 174.900 -0.225 0.000 1.202 180 G CA 0.578 45.524 45.100 -0.256 0.000 0.793 180 G HN 0.308 nan 8.290 nan 0.000 0.534 181 F N 1.619 121.508 119.950 -0.101 0.000 2.216 181 F HA 0.034 4.562 4.527 0.001 0.000 0.300 181 F C 2.328 178.111 175.800 -0.028 0.000 1.085 181 F CA 1.070 59.040 58.000 -0.051 0.000 1.326 181 F CB -0.225 38.786 39.000 0.019 0.000 1.027 181 F HN 0.068 nan 8.300 nan 0.000 0.497 182 D N -1.290 119.229 120.400 0.198 0.000 2.265 182 D HA -0.227 4.414 4.640 0.001 0.000 0.208 182 D C 1.942 178.239 176.300 -0.006 0.000 0.977 182 D CA 0.932 55.001 54.000 0.114 0.000 0.871 182 D CB -0.474 40.442 40.800 0.194 0.000 0.925 182 D HN 0.366 nan 8.370 nan 0.000 0.485 183 Y N 0.956 121.138 120.300 -0.196 0.000 2.184 183 Y HA -0.079 4.472 4.550 0.001 0.000 0.290 183 Y C 2.070 177.829 175.900 -0.234 0.000 1.129 183 Y CA 1.218 59.163 58.100 -0.258 0.000 1.144 183 Y CB -0.390 37.763 38.460 -0.512 0.000 0.995 183 Y HN -0.109 nan 8.280 nan 0.000 0.513 184 L N 0.017 121.142 121.223 -0.163 0.000 2.046 184 L HA -0.222 4.119 4.340 0.001 0.000 0.208 184 L C 2.679 179.408 176.870 -0.236 0.000 1.077 184 L CA 1.498 56.214 54.840 -0.205 0.000 0.747 184 L CB -0.529 41.450 42.059 -0.134 0.000 0.896 184 L HN 0.170 nan 8.230 nan 0.000 0.432 185 R N 0.057 120.483 120.500 -0.124 0.000 2.080 185 R HA -0.219 4.121 4.340 0.001 0.000 0.236 185 R C 1.893 178.082 176.300 -0.185 0.000 1.137 185 R CA 2.050 58.097 56.100 -0.088 0.000 0.943 185 R CB -0.635 29.664 30.300 -0.002 0.000 0.846 185 R HN 0.312 nan 8.270 nan 0.000 0.431 186 D N 0.259 120.514 120.400 -0.242 0.000 2.228 186 D HA -0.131 4.510 4.640 0.001 0.000 0.203 186 D C 0.571 176.624 176.300 -0.411 0.000 0.988 186 D CA 1.120 54.943 54.000 -0.295 0.000 0.864 186 D CB -0.105 40.501 40.800 -0.324 0.000 0.928 186 D HN 0.199 nan 8.370 nan 0.000 0.469 187 N N -1.085 117.251 118.700 -0.608 0.000 2.295 187 N HA 0.241 4.982 4.740 0.001 0.000 0.221 187 N C 0.259 175.417 175.510 -0.586 0.000 1.129 187 N CA 0.094 52.627 53.050 -0.862 0.000 0.836 187 N CB 0.466 37.838 38.487 -1.858 0.000 1.040 187 N HN 0.166 nan 8.380 nan 0.000 0.494 188 M N -0.940 118.472 119.600 -0.315 0.000 2.314 188 M HA 0.331 4.811 4.480 0.001 0.000 0.383 188 M C -0.117 176.123 176.300 -0.100 0.000 0.984 188 M CA -0.237 54.979 55.300 -0.141 0.000 0.982 188 M CB 0.918 33.485 32.600 -0.055 0.000 1.745 188 M HN 0.003 nan 8.290 nan 0.000 0.600 189 A N 0.706 123.444 122.820 -0.136 0.000 2.407 189 A HA 0.456 4.777 4.320 0.001 0.000 0.248 189 A C 0.684 178.232 177.584 -0.061 0.000 1.082 189 A CA -0.043 51.943 52.037 -0.085 0.000 0.785 189 A CB 0.470 19.412 19.000 -0.097 0.000 1.020 189 A HN 0.290 nan 8.150 nan 0.000 0.489 190 I N 1.037 121.590 120.570 -0.028 0.000 2.834 190 I HA 0.024 4.194 4.170 0.001 0.000 0.239 190 I C 1.530 177.645 176.117 -0.004 0.000 1.073 190 I CA 1.623 62.917 61.300 -0.011 0.000 1.459 190 I CB -0.415 37.591 38.000 0.010 0.000 1.288 190 I HN 0.686 nan 8.210 nan 0.000 0.455 191 S N 1.215 116.918 115.700 0.005 0.000 2.585 191 S HA 0.341 4.812 4.470 0.001 0.000 0.277 191 S C -2.016 172.592 174.600 0.013 0.000 1.241 191 S CA -1.136 57.072 58.200 0.012 0.000 1.041 191 S CB 1.278 64.489 63.200 0.018 0.000 0.987 191 S HN -0.074 nan 8.310 nan 0.000 0.512 192 P HA -0.007 nan 4.420 nan 0.000 0.228 192 P C -0.037 177.305 177.300 0.070 0.000 1.151 192 P CA 0.895 64.028 63.100 0.054 0.000 0.770 192 P CB -0.031 31.702 31.700 0.056 0.000 0.786 193 D N -0.998 119.429 120.400 0.044 0.000 2.434 193 D HA 0.048 4.689 4.640 0.001 0.000 0.232 193 D C 1.200 177.523 176.300 0.039 0.000 1.166 193 D CA 0.364 54.391 54.000 0.046 0.000 0.830 193 D CB 0.296 41.115 40.800 0.033 0.000 0.960 193 D HN 0.367 nan 8.370 nan 0.000 0.497 194 Q N -0.434 119.383 119.800 0.029 0.000 2.342 194 Q HA 0.200 4.541 4.340 0.001 0.000 0.261 194 Q C 0.643 176.646 176.000 0.005 0.000 0.841 194 Q CA -0.083 55.730 55.803 0.016 0.000 0.969 194 Q CB 1.353 30.092 28.738 0.001 0.000 1.136 194 Q HN 0.201 nan 8.270 nan 0.000 0.528 195 L N 1.690 122.907 121.223 -0.009 0.000 2.485 195 L HA -0.002 4.338 4.340 0.001 0.000 0.275 195 L C 1.306 178.159 176.870 -0.028 0.000 1.207 195 L CA -0.197 54.603 54.840 -0.067 0.000 0.855 195 L CB 0.568 42.551 42.059 -0.127 0.000 1.114 195 L HN 0.078 nan 8.230 nan 0.000 0.485 196 V N 0.405 120.282 119.914 -0.061 0.000 3.013 196 V HA 0.189 4.310 4.120 0.001 0.000 0.238 196 V C 0.873 176.932 176.094 -0.059 0.000 1.161 196 V CA -0.173 62.147 62.300 0.034 0.000 1.170 196 V CB -0.237 31.675 31.823 0.149 0.000 0.917 196 V HN 0.487 nan 8.190 nan 0.000 0.478 197 L N 2.361 123.396 121.223 -0.314 0.000 2.476 197 L HA 0.289 4.630 4.340 0.001 0.000 0.264 197 L C 1.156 177.894 176.870 -0.220 0.000 1.224 197 L CA -0.345 54.256 54.840 -0.398 0.000 0.821 197 L CB 0.147 41.974 42.059 -0.386 0.000 1.101 197 L HN 0.363 nan 8.230 nan 0.000 0.488 198 R N 0.895 121.366 120.500 -0.049 0.000 2.893 198 R HA 0.064 4.404 4.340 0.001 0.000 0.279 198 R C 0.353 176.629 176.300 -0.040 0.000 1.076 198 R CA -0.268 55.889 56.100 0.095 0.000 1.203 198 R CB 0.073 30.468 30.300 0.159 0.000 1.137 198 R HN 0.704 nan 8.270 nan 0.000 0.541 199 H N -0.657 118.406 119.070 -0.011 0.000 2.855 199 H HA 0.057 4.614 4.556 0.001 0.000 0.259 199 H C 0.509 175.796 175.328 -0.068 0.000 0.972 199 H CA 0.302 56.327 56.048 -0.038 0.000 1.213 199 H CB 0.576 30.316 29.762 -0.037 0.000 1.451 199 H HN 0.606 nan 8.280 nan 0.000 0.484 200 D N 0.309 120.749 120.400 0.066 0.000 2.097 200 D HA -0.113 4.528 4.640 0.001 0.000 0.197 200 D C 1.723 177.808 176.300 -0.359 0.000 0.984 200 D CA 1.347 55.267 54.000 -0.133 0.000 0.826 200 D CB 0.180 40.950 40.800 -0.050 0.000 0.973 200 D HN 0.420 nan 8.370 nan 0.000 0.460 201 H N -2.525 116.590 119.070 0.075 0.000 2.545 201 H HA 0.230 4.787 4.556 0.001 0.000 0.251 201 H C -1.181 174.172 175.328 0.043 0.000 0.934 201 H CA 0.473 56.570 56.048 0.082 0.000 1.116 201 H CB 1.026 30.861 29.762 0.122 0.000 1.439 201 H HN 0.137 nan 8.280 nan 0.000 0.445 202 P HA 0.224 nan 4.420 nan 0.000 0.433 202 P C -0.430 176.840 177.300 -0.050 0.000 1.269 202 P CA 0.363 63.491 63.100 0.046 0.000 1.705 202 P CB 2.076 33.745 31.700 -0.052 0.000 1.592 203 L N 0.005 121.101 121.223 -0.213 0.000 2.502 203 L HA 0.338 4.679 4.340 0.001 0.000 0.249 203 L C 1.091 177.644 176.870 -0.528 0.000 1.446 203 L CA -0.395 53.939 54.840 -0.844 0.000 0.887 203 L CB 0.566 41.965 42.059 -1.100 0.000 1.126 203 L HN 0.077 nan 8.230 nan 0.000 0.509 204 H N 1.656 120.657 119.070 -0.115 0.000 2.265 204 H HA -0.011 4.546 4.556 0.001 0.000 0.305 204 H C -0.695 174.844 175.328 0.352 0.000 1.054 204 H CA 1.267 57.388 56.048 0.122 0.000 1.296 204 H CB 0.550 30.413 29.762 0.169 0.000 1.395 204 H HN 0.363 nan 8.280 nan 0.000 0.502 205 Y N 0.132 120.611 120.300 0.298 0.000 2.442 205 Y HA 0.527 5.078 4.550 0.001 0.000 0.344 205 Y C -1.330 174.775 175.900 0.340 0.000 0.976 205 Y CA -0.463 57.776 58.100 0.232 0.000 1.040 205 Y CB 1.432 39.941 38.460 0.081 0.000 1.228 205 Y HN 0.360 nan 8.280 nan 0.000 0.451 206 A N 6.539 129.045 122.820 -0.525 0.000 2.365 206 A HA 0.817 5.137 4.320 0.001 0.000 0.318 206 A C -1.628 175.459 177.584 -0.828 0.000 1.091 206 A CA -0.757 50.882 52.037 -0.664 0.000 0.763 206 A CB 0.955 19.318 19.000 -1.062 0.000 1.248 206 A HN 0.719 nan 8.150 nan 0.000 0.442 207 I N 3.329 123.575 120.570 -0.539 0.000 2.493 207 I HA 0.255 4.426 4.170 0.001 0.000 0.279 207 I C -0.893 175.015 176.117 -0.348 0.000 1.045 207 I CA -0.183 60.850 61.300 -0.444 0.000 1.106 207 I CB 1.235 39.060 38.000 -0.291 0.000 1.216 207 I HN 0.528 nan 8.210 nan 0.000 0.459 208 I N 4.974 125.297 120.570 -0.413 0.000 2.337 208 I HA 0.096 4.266 4.170 0.001 0.000 0.291 208 I C 1.009 176.958 176.117 -0.280 0.000 1.046 208 I CA -0.145 60.924 61.300 -0.385 0.000 1.324 208 I CB 0.978 38.616 38.000 -0.603 0.000 1.409 208 I HN 0.536 nan 8.210 nan 0.000 0.494 209 D N 4.191 124.477 120.400 -0.190 0.000 2.144 209 D HA -0.154 4.487 4.640 0.001 0.000 0.199 209 D C 0.775 177.006 176.300 -0.115 0.000 0.984 209 D CA 1.661 55.587 54.000 -0.124 0.000 0.834 209 D CB 0.449 41.211 40.800 -0.063 0.000 0.955 209 D HN 0.424 nan 8.370 nan 0.000 0.465 210 E N -0.177 119.946 120.200 -0.129 0.000 3.896 210 E HA 0.085 4.436 4.350 0.001 0.000 0.217 210 E C 1.616 178.130 176.600 -0.144 0.000 1.150 210 E CA -0.095 56.241 56.400 -0.106 0.000 1.338 210 E CB 1.010 30.669 29.700 -0.067 0.000 1.242 210 E HN 0.145 nan 8.360 nan 0.000 0.435 211 V N -0.031 119.752 119.914 -0.218 0.000 2.226 211 V HA -0.404 3.717 4.120 0.001 0.000 0.254 211 V C 2.016 178.051 176.094 -0.099 0.000 1.065 211 V CA 2.503 64.630 62.300 -0.289 0.000 1.039 211 V CB -0.851 30.678 31.823 -0.488 0.000 0.653 211 V HN 0.354 nan 8.190 nan 0.000 0.450 212 D N 0.102 120.531 120.400 0.049 0.000 2.190 212 D HA -0.206 4.434 4.640 0.001 0.000 0.200 212 D C 2.137 178.465 176.300 0.045 0.000 0.992 212 D CA 1.992 56.099 54.000 0.178 0.000 0.854 212 D CB -0.537 40.358 40.800 0.158 0.000 0.936 212 D HN 0.541 nan 8.370 nan 0.000 0.462 213 S N -0.483 115.207 115.700 -0.018 0.000 2.362 213 S HA 0.074 4.545 4.470 0.001 0.000 0.221 213 S C 2.125 176.679 174.600 -0.078 0.000 1.032 213 S CA 0.195 58.371 58.200 -0.040 0.000 0.973 213 S CB -0.133 63.041 63.200 -0.043 0.000 0.849 213 S HN 0.243 nan 8.310 nan 0.000 0.465 214 I N 1.229 121.724 120.570 -0.125 0.000 2.202 214 I HA -0.099 4.071 4.170 0.001 0.000 0.242 214 I C 1.360 177.337 176.117 -0.233 0.000 1.091 214 I CA 1.154 62.329 61.300 -0.209 0.000 1.368 214 I CB -0.197 37.658 38.000 -0.241 0.000 1.058 214 I HN 0.252 nan 8.210 nan 0.000 0.410 215 L N 0.018 121.145 121.223 -0.160 0.000 2.611 215 L HA 0.161 4.502 4.340 0.001 0.000 0.229 215 L C 1.516 178.447 176.870 0.100 0.000 1.137 215 L CA 0.290 55.109 54.840 -0.036 0.000 0.901 215 L CB 0.200 42.194 42.059 -0.108 0.000 1.098 215 L HN 0.288 nan 8.230 nan 0.000 0.456 216 I N -1.645 118.945 120.570 0.033 0.000 3.663 216 I HA 0.002 4.173 4.170 0.001 0.000 0.263 216 I C 0.899 177.010 176.117 -0.010 0.000 1.104 216 I CA 0.067 61.376 61.300 0.014 0.000 1.426 216 I CB 0.468 38.467 38.000 -0.002 0.000 1.771 216 I HN -0.031 nan 8.210 nan 0.000 0.402 217 D N 1.348 121.738 120.400 -0.016 0.000 2.363 217 D HA -0.078 4.563 4.640 0.001 0.000 0.226 217 D C 1.177 177.466 176.300 -0.018 0.000 1.020 217 D CA 1.029 55.020 54.000 -0.015 0.000 0.892 217 D CB 0.540 41.331 40.800 -0.015 0.000 0.900 217 D HN 0.428 nan 8.370 nan 0.000 0.531 218 E N -0.662 119.510 120.200 -0.047 0.000 2.571 218 E HA 0.202 4.553 4.350 0.001 0.000 0.222 218 E C 0.523 177.087 176.600 -0.061 0.000 0.904 218 E CA -0.099 56.256 56.400 -0.075 0.000 1.157 218 E CB 0.794 30.390 29.700 -0.174 0.000 1.158 218 E HN 0.006 nan 8.360 nan 0.000 0.540 219 A N 0.826 123.635 122.820 -0.018 0.000 3.163 219 A HA 0.289 4.610 4.320 0.001 0.000 0.283 219 A C 1.013 178.657 177.584 0.100 0.000 1.412 219 A CA -0.227 51.876 52.037 0.108 0.000 1.053 219 A CB -0.225 18.861 19.000 0.143 0.000 1.082 219 A HN 0.037 nan 8.150 nan 0.000 0.639 220 R N -0.287 120.262 120.500 0.081 0.000 2.308 220 R HA 0.105 4.446 4.340 0.001 0.000 0.202 220 R C 0.011 176.345 176.300 0.058 0.000 0.898 220 R CA 1.208 57.337 56.100 0.047 0.000 1.046 220 R CB 0.537 30.856 30.300 0.033 0.000 1.026 220 R HN 0.592 nan 8.270 nan 0.000 0.512 221 T N -1.182 113.437 114.554 0.109 0.000 2.901 221 T HA 0.524 4.875 4.350 0.001 0.000 0.293 221 T C -2.726 172.062 174.700 0.146 0.000 1.084 221 T CA -1.873 60.287 62.100 0.100 0.000 1.008 221 T CB 2.539 71.469 68.868 0.102 0.000 1.170 221 T HN -0.202 nan 8.240 nan 0.000 0.509 222 P HA 0.543 nan 4.420 nan 0.000 0.287 222 P C -0.963 176.312 177.300 -0.042 0.000 1.296 222 P CA -0.942 62.171 63.100 0.022 0.000 0.811 222 P CB 1.175 32.867 31.700 -0.014 0.000 1.211 223 L N 0.774 121.857 121.223 -0.235 0.000 2.264 223 L HA 0.443 4.784 4.340 0.001 0.000 0.289 223 L C 0.181 176.842 176.870 -0.348 0.000 1.044 223 L CA -0.571 54.017 54.840 -0.419 0.000 0.807 223 L CB 0.456 42.009 42.059 -0.843 0.000 1.192 223 L HN 0.187 nan 8.230 nan 0.000 0.425 224 I N 4.884 125.345 120.570 -0.182 0.000 2.608 224 I HA 0.441 4.612 4.170 0.001 0.000 0.295 224 I C -0.292 175.856 176.117 0.050 0.000 1.049 224 I CA -0.456 60.799 61.300 -0.076 0.000 1.063 224 I CB 2.555 40.551 38.000 -0.007 0.000 1.248 224 I HN 0.492 nan 8.210 nan 0.000 0.424 225 I N 4.245 124.836 120.570 0.036 0.000 2.437 225 I HA 0.184 4.355 4.170 0.001 0.000 0.279 225 I C 0.326 176.486 176.117 0.073 0.000 1.028 225 I CA -0.426 60.949 61.300 0.126 0.000 1.142 225 I CB 1.571 39.644 38.000 0.121 0.000 1.266 225 I HN 0.549 nan 8.210 nan 0.000 0.461 226 S N 3.954 119.695 115.700 0.069 0.000 2.525 226 S HA 0.765 5.236 4.470 0.001 0.000 0.278 226 S C 0.158 174.783 174.600 0.041 0.000 1.234 226 S CA -0.508 57.711 58.200 0.031 0.000 1.058 226 S CB 1.747 64.955 63.200 0.013 0.000 0.983 226 S HN 0.673 nan 8.310 nan 0.000 0.495 227 G N 2.012 110.832 108.800 0.034 0.000 2.705 227 G HA2 0.694 4.654 3.960 0.001 0.000 0.299 227 G HA3 0.694 4.654 3.960 0.001 0.000 0.299 227 G C -3.039 171.885 174.900 0.039 0.000 1.315 227 G CA -2.148 42.979 45.100 0.045 0.000 1.045 227 G HN 0.573 nan 8.290 nan 0.000 0.517 228 P HA 0.345 nan 4.420 nan 0.000 0.275 228 P C 0.009 177.343 177.300 0.057 0.000 1.270 228 P CA -0.099 63.028 63.100 0.045 0.000 0.791 228 P CB 0.419 32.146 31.700 0.046 0.000 1.089 229 A N 0.348 123.207 122.820 0.065 0.000 2.483 229 A HA 0.079 4.400 4.320 0.001 0.000 0.238 229 A C -0.114 177.533 177.584 0.106 0.000 1.070 229 A CA 0.034 52.126 52.037 0.092 0.000 0.770 229 A CB -0.607 18.450 19.000 0.095 0.000 1.008 229 A HN 0.473 nan 8.150 nan 0.000 0.497 230 E N 2.508 122.787 120.200 0.131 0.000 2.292 230 E HA 0.133 4.484 4.350 0.001 0.000 0.265 230 E C -0.219 176.473 176.600 0.153 0.000 1.093 230 E CA 0.145 56.621 56.400 0.127 0.000 0.922 230 E CB 0.125 29.902 29.700 0.129 0.000 1.001 230 E HN 0.424 nan 8.360 nan 0.000 0.444 231 K N 1.781 122.254 120.400 0.121 0.000 4.157 231 K HA -0.245 4.076 4.320 0.001 0.000 0.523 231 K C 0.001 176.713 176.600 0.187 0.000 1.426 231 K CA 0.735 57.090 56.287 0.113 0.000 1.067 231 K CB -0.326 32.200 32.500 0.042 0.000 1.856 231 K HN 0.716 nan 8.250 nan 0.000 0.269 232 A N 4.217 127.117 122.820 0.134 0.000 2.504 232 A HA 0.015 4.336 4.320 0.001 0.000 0.242 232 A C 1.713 179.433 177.584 0.227 0.000 1.100 232 A CA 0.885 53.012 52.037 0.151 0.000 0.786 232 A CB 0.066 19.115 19.000 0.082 0.000 1.050 232 A HN 0.749 nan 8.150 nan 0.000 0.512 233 T N 0.362 115.032 114.554 0.193 0.000 2.737 233 T HA -0.173 4.178 4.350 0.001 0.000 0.269 233 T C 1.440 176.272 174.700 0.220 0.000 1.040 233 T CA 1.826 64.063 62.100 0.229 0.000 1.142 233 T CB -0.426 68.460 68.868 0.030 0.000 0.861 233 T HN 0.700 nan 8.240 nan 0.000 0.456 234 D N 0.919 121.376 120.400 0.094 0.000 2.137 234 D HA -0.084 4.556 4.640 0.001 0.000 0.189 234 D C 2.140 178.493 176.300 0.088 0.000 0.998 234 D CA 1.133 55.170 54.000 0.062 0.000 0.839 234 D CB -0.305 40.508 40.800 0.021 0.000 0.962 234 D HN 0.294 nan 8.370 nan 0.000 0.446 235 L N -0.280 120.962 121.223 0.031 0.000 2.191 235 L HA -0.203 4.137 4.340 0.001 0.000 0.212 235 L C 2.418 179.232 176.870 -0.095 0.000 1.103 235 L CA 0.819 55.622 54.840 -0.063 0.000 0.769 235 L CB -0.283 41.681 42.059 -0.159 0.000 0.908 235 L HN 0.166 nan 8.230 nan 0.000 0.438 236 Y N -2.263 118.097 120.300 0.101 0.000 2.314 236 Y HA -0.233 4.318 4.550 0.001 0.000 0.293 236 Y C 2.148 178.077 175.900 0.048 0.000 1.129 236 Y CA 1.193 59.336 58.100 0.071 0.000 1.201 236 Y CB 0.021 38.529 38.460 0.079 0.000 0.999 236 Y HN 0.062 nan 8.280 nan 0.000 0.541 237 Y N -0.250 120.124 120.300 0.123 0.000 2.365 237 Y HA -0.070 4.481 4.550 0.001 0.000 0.293 237 Y C 1.963 177.883 175.900 0.034 0.000 1.119 237 Y CA 0.800 58.942 58.100 0.070 0.000 1.203 237 Y CB -0.203 38.287 38.460 0.051 0.000 1.026 237 Y HN -0.064 nan 8.280 nan 0.000 0.549 238 K N -0.893 119.603 120.400 0.160 0.000 2.288 238 K HA -0.146 4.174 4.320 0.001 0.000 0.201 238 K C 1.723 178.340 176.600 0.028 0.000 1.048 238 K CA 1.167 57.497 56.287 0.072 0.000 0.956 238 K CB -0.124 32.398 32.500 0.036 0.000 0.746 238 K HN 0.196 nan 8.250 nan 0.000 0.461 239 M N 0.138 119.746 119.600 0.013 0.000 2.558 239 M HA 0.102 4.583 4.480 0.001 0.000 0.255 239 M C 1.618 177.915 176.300 -0.004 0.000 1.113 239 M CA 0.533 55.825 55.300 -0.012 0.000 1.097 239 M CB 0.172 32.744 32.600 -0.047 0.000 1.426 239 M HN 0.100 nan 8.290 nan 0.000 0.488 240 A N 0.265 123.083 122.820 -0.003 0.000 1.878 240 A HA -0.102 4.218 4.320 0.001 0.000 0.213 240 A C 1.952 179.534 177.584 -0.004 0.000 1.192 240 A CA 1.318 53.341 52.037 -0.024 0.000 0.619 240 A CB -0.790 18.162 19.000 -0.081 0.000 0.837 240 A HN 0.649 nan 8.150 nan 0.000 0.446 241 E N 0.227 120.437 120.200 0.016 0.000 2.058 241 E HA -0.241 4.110 4.350 0.001 0.000 0.194 241 E C 1.976 178.584 176.600 0.013 0.000 0.997 241 E CA 1.570 57.983 56.400 0.022 0.000 0.801 241 E CB -0.615 29.107 29.700 0.037 0.000 0.746 241 E HN 0.596 nan 8.360 nan 0.000 0.450 242 I N 1.098 121.674 120.570 0.010 0.000 2.286 242 I HA -0.247 3.923 4.170 0.001 0.000 0.248 242 I C 2.467 178.585 176.117 0.002 0.000 1.115 242 I CA 1.414 62.719 61.300 0.007 0.000 1.392 242 I CB -0.217 37.786 38.000 0.005 0.000 1.065 242 I HN 0.253 nan 8.210 nan 0.000 0.418 243 A N 1.063 123.880 122.820 -0.005 0.000 1.940 243 A HA -0.239 4.082 4.320 0.001 0.000 0.219 243 A C 2.302 179.879 177.584 -0.011 0.000 1.176 243 A CA 1.903 53.931 52.037 -0.016 0.000 0.631 243 A CB -0.463 18.525 19.000 -0.021 0.000 0.814 243 A HN 0.508 nan 8.150 nan 0.000 0.446 244 K N -0.750 119.649 120.400 -0.001 0.000 2.186 244 K HA 0.019 4.340 4.320 0.001 0.000 0.202 244 K C 1.746 178.350 176.600 0.006 0.000 1.052 244 K CA 0.672 56.962 56.287 0.004 0.000 0.965 244 K CB -0.046 32.461 32.500 0.010 0.000 0.746 244 K HN 0.209 nan 8.250 nan 0.000 0.457 245 K N 1.043 121.448 120.400 0.007 0.000 2.148 245 K HA -0.050 4.271 4.320 0.001 0.000 0.204 245 K C 0.800 177.405 176.600 0.007 0.000 1.050 245 K CA 0.347 56.639 56.287 0.009 0.000 0.942 245 K CB -0.369 32.138 32.500 0.012 0.000 0.724 245 K HN 0.052 nan 8.250 nan 0.000 0.446 246 L N 3.316 124.541 121.223 0.003 0.000 2.500 246 L HA -0.025 4.315 4.340 0.001 0.000 0.272 246 L C 0.703 177.567 176.870 -0.009 0.000 1.149 246 L CA 0.156 54.996 54.840 -0.000 0.000 0.897 246 L CB 0.144 42.200 42.059 -0.005 0.000 1.178 246 L HN 0.191 nan 8.230 nan 0.000 0.473 247 E N 4.101 124.298 120.200 -0.006 0.000 2.435 247 E HA 0.147 4.497 4.350 0.001 0.000 0.254 247 E C -0.314 176.267 176.600 -0.032 0.000 1.289 247 E CA -0.696 55.698 56.400 -0.009 0.000 0.983 247 E CB 0.485 30.184 29.700 -0.001 0.000 1.010 247 E HN 0.475 nan 8.360 nan 0.000 0.509 248 R N -0.665 119.817 120.500 -0.030 0.000 2.474 248 R HA 0.507 4.848 4.340 0.001 0.000 0.295 248 R C -0.594 175.673 176.300 -0.055 0.000 0.980 248 R CA 0.046 56.101 56.100 -0.075 0.000 0.934 248 R CB 1.768 32.053 30.300 -0.024 0.000 1.101 248 R HN 0.648 nan 8.270 nan 0.000 0.469 249 G N 2.642 111.371 108.800 -0.119 0.000 2.568 249 G HA2 0.513 4.474 3.960 0.001 0.000 0.313 249 G HA3 0.513 4.474 3.960 0.001 0.000 0.313 249 G C -1.461 173.467 174.900 0.047 0.000 1.227 249 G CA -0.630 44.447 45.100 -0.037 0.000 0.979 249 G HN 0.348 nan 8.290 nan 0.000 0.486 250 L N 0.792 122.067 121.223 0.087 0.000 2.334 250 L HA 0.430 4.771 4.340 0.001 0.000 0.272 250 L C -1.869 175.066 176.870 0.107 0.000 1.020 250 L CA -1.458 53.470 54.840 0.146 0.000 0.812 250 L CB 1.772 43.891 42.059 0.100 0.000 1.264 250 L HN 0.296 nan 8.230 nan 0.000 0.439 251 P HA 0.042 nan 4.420 nan 0.000 0.300 251 P C -0.808 176.519 177.300 0.045 0.000 1.294 251 P CA -0.302 62.854 63.100 0.093 0.000 0.757 251 P CB 0.400 32.166 31.700 0.109 0.000 1.377 252 A N -0.218 122.618 122.820 0.028 0.000 2.362 252 A HA 0.237 4.558 4.320 0.001 0.000 0.276 252 A C 0.214 177.790 177.584 -0.013 0.000 1.153 252 A CA -0.263 51.773 52.037 -0.002 0.000 0.813 252 A CB -0.552 18.438 19.000 -0.017 0.000 1.081 252 A HN 0.444 nan 8.150 nan 0.000 0.507 253 E N 3.720 123.906 120.200 -0.023 0.000 2.254 253 E HA 0.369 4.719 4.350 0.001 0.000 0.261 253 E C -1.977 174.588 176.600 -0.059 0.000 1.051 253 E CA -1.969 54.413 56.400 -0.031 0.000 0.902 253 E CB -0.105 29.582 29.700 -0.022 0.000 1.168 253 E HN 0.350 nan 8.360 nan 0.000 0.423 254 P HA -0.329 nan 4.420 nan 0.000 0.230 254 P C 0.990 178.218 177.300 -0.119 0.000 0.781 254 P CA 2.520 65.560 63.100 -0.100 0.000 1.067 254 P CB -0.127 31.528 31.700 -0.075 0.000 0.733 255 G N -2.983 105.761 108.800 -0.094 0.000 2.944 255 G HA2 0.203 4.164 3.960 0.001 0.000 0.223 255 G HA3 0.203 4.164 3.960 0.001 0.000 0.223 255 G C -0.177 174.679 174.900 -0.074 0.000 1.071 255 G CA 0.292 45.335 45.100 -0.096 0.000 0.806 255 G HN 0.521 nan 8.290 nan 0.000 0.538 256 V N 2.124 122.002 119.914 -0.059 0.000 2.461 256 V HA 0.524 4.644 4.120 0.001 0.000 0.275 256 V C 0.607 176.677 176.094 -0.040 0.000 1.047 256 V CA -1.038 61.236 62.300 -0.045 0.000 0.955 256 V CB 0.341 32.143 31.823 -0.034 0.000 0.988 256 V HN 0.373 nan 8.190 nan 0.000 0.471 257 R N 4.888 125.365 120.500 -0.038 0.000 3.073 257 R HA 0.188 4.529 4.340 0.001 0.000 0.290 257 R C 0.141 176.429 176.300 -0.021 0.000 1.130 257 R CA -0.394 55.686 56.100 -0.034 0.000 1.186 257 R CB 0.113 30.391 30.300 -0.037 0.000 1.166 257 R HN 0.787 nan 8.270 nan 0.000 0.563 258 K N 1.750 122.140 120.400 -0.018 0.000 2.527 258 K HA -0.104 4.217 4.320 0.001 0.000 0.278 258 K C 0.094 176.692 176.600 -0.004 0.000 0.981 258 K CA 0.500 56.783 56.287 -0.006 0.000 1.009 258 K CB 0.395 32.888 32.500 -0.011 0.000 0.895 258 K HN 0.583 nan 8.250 nan 0.000 0.493 259 E N 2.669 122.873 120.200 0.007 0.000 4.032 259 E HA 0.014 4.365 4.350 0.001 0.000 0.574 259 E C -1.496 175.103 176.600 -0.001 0.000 0.258 259 E CA -0.706 55.698 56.400 0.007 0.000 3.629 259 E CB -0.390 29.323 29.700 0.022 0.000 2.366 259 E HN 0.437 nan 8.360 nan 0.000 0.316 260 P HA -0.001 nan 4.420 nan 0.000 0.323 260 P C 0.781 178.073 177.300 -0.013 0.000 1.435 260 P CA 0.700 63.795 63.100 -0.008 0.000 0.853 260 P CB 0.003 31.698 31.700 -0.009 0.000 2.066 261 T N -1.684 112.861 114.554 -0.015 0.000 2.857 261 T HA 0.052 4.402 4.350 0.001 0.000 0.266 261 T C 1.143 175.836 174.700 -0.012 0.000 1.048 261 T CA 1.357 63.456 62.100 -0.001 0.000 1.139 261 T CB -0.979 67.894 68.868 0.007 0.000 0.874 261 T HN 0.398 nan 8.240 nan 0.000 0.455 262 G N 1.281 110.030 108.800 -0.086 0.000 2.332 262 G HA2 0.516 4.476 3.960 0.001 0.000 0.310 262 G HA3 0.516 4.476 3.960 0.001 0.000 0.310 262 G C -1.613 173.161 174.900 -0.209 0.000 1.123 262 G CA -0.574 44.426 45.100 -0.166 0.000 0.873 262 G HN 0.173 nan 8.290 nan 0.000 0.460 263 D N 0.915 121.245 120.400 -0.116 0.000 2.440 263 D HA 0.320 4.960 4.640 0.001 0.000 0.252 263 D C -0.466 175.860 176.300 0.043 0.000 1.180 263 D CA -0.310 53.679 54.000 -0.018 0.000 0.894 263 D CB 0.921 41.739 40.800 0.030 0.000 1.111 263 D HN 0.378 nan 8.370 nan 0.000 0.544 264 Y N 0.350 120.678 120.300 0.047 0.000 2.459 264 Y HA 0.208 4.759 4.550 0.001 0.000 0.349 264 Y C 1.736 177.666 175.900 0.050 0.000 1.266 264 Y CA -0.853 57.272 58.100 0.041 0.000 1.483 264 Y CB -0.006 38.481 38.460 0.045 0.000 1.362 264 Y HN 0.175 nan 8.280 nan 0.000 0.628 265 T N -1.385 113.298 114.554 0.214 0.000 2.904 265 T HA 0.479 4.829 4.350 0.001 0.000 0.290 265 T C -0.389 174.407 174.700 0.159 0.000 1.018 265 T CA -1.078 61.100 62.100 0.129 0.000 1.075 265 T CB 0.507 69.392 68.868 0.028 0.000 0.986 265 T HN 0.488 nan 8.240 nan 0.000 0.523 266 V N 3.567 123.588 119.914 0.177 0.000 2.599 266 V HA 0.065 4.186 4.120 0.001 0.000 0.300 266 V C 1.820 177.996 176.094 0.137 0.000 1.034 266 V CA -0.144 62.267 62.300 0.185 0.000 1.115 266 V CB -0.507 31.503 31.823 0.311 0.000 0.934 266 V HN 1.080 nan 8.190 nan 0.000 0.485 267 E N 2.202 122.465 120.200 0.105 0.000 2.396 267 E HA -0.285 4.065 4.350 0.001 0.000 0.209 267 E C 1.608 178.276 176.600 0.113 0.000 1.056 267 E CA 2.035 58.504 56.400 0.115 0.000 0.851 267 E CB 0.145 29.911 29.700 0.110 0.000 0.754 267 E HN 0.847 nan 8.360 nan 0.000 0.504 268 E N -0.151 120.119 120.200 0.117 0.000 2.364 268 E HA 0.029 4.380 4.350 0.001 0.000 0.196 268 E C 0.990 177.565 176.600 -0.042 0.000 0.990 268 E CA -0.072 56.371 56.400 0.072 0.000 0.886 268 E CB 0.355 30.139 29.700 0.139 0.000 0.866 268 E HN -0.050 nan 8.360 nan 0.000 0.493 269 K N 1.146 121.511 120.400 -0.058 0.000 2.140 269 K HA 0.133 4.454 4.320 0.001 0.000 0.237 269 K C 0.636 177.149 176.600 -0.146 0.000 1.045 269 K CA 0.095 56.265 56.287 -0.194 0.000 0.896 269 K CB 0.510 32.919 32.500 -0.151 0.000 1.122 269 K HN -0.034 nan 8.250 nan 0.000 0.503 270 N N 0.513 119.104 118.700 -0.183 0.000 2.197 270 N HA 0.021 4.761 4.740 0.001 0.000 0.201 270 N C -0.224 175.220 175.510 -0.110 0.000 1.148 270 N CA -0.018 52.946 53.050 -0.144 0.000 0.883 270 N CB 0.624 39.037 38.487 -0.124 0.000 1.012 270 N HN 0.159 nan 8.380 nan 0.000 0.507 271 R N 1.061 121.514 120.500 -0.077 0.000 2.298 271 R HA 0.182 4.523 4.340 0.001 0.000 0.310 271 R C -0.285 176.027 176.300 0.020 0.000 1.068 271 R CA 0.008 56.096 56.100 -0.021 0.000 0.957 271 R CB 0.538 30.834 30.300 -0.007 0.000 1.003 271 R HN -0.163 nan 8.270 nan 0.000 0.454 272 S N 3.000 118.726 115.700 0.044 0.000 2.423 272 S HA 0.262 4.733 4.470 0.001 0.000 0.317 272 S C -0.569 174.148 174.600 0.196 0.000 1.065 272 S CA -0.680 57.576 58.200 0.093 0.000 1.111 272 S CB 0.357 63.590 63.200 0.055 0.000 0.968 272 S HN 0.345 nan 8.310 nan 0.000 0.474 273 V N 7.992 127.982 119.914 0.126 0.000 2.112 273 V HA 0.209 4.329 4.120 0.001 0.000 0.271 273 V C 0.136 176.246 176.094 0.026 0.000 1.465 273 V CA -0.808 61.511 62.300 0.033 0.000 1.419 273 V CB -0.940 30.891 31.823 0.013 0.000 1.409 273 V HN 0.855 nan 8.190 nan 0.000 0.495 274 H N 2.880 121.918 119.070 -0.053 0.000 3.089 274 H HA 0.354 4.910 4.556 0.001 0.000 0.262 274 H C 0.190 175.481 175.328 -0.062 0.000 1.160 274 H CA -0.707 55.306 56.048 -0.058 0.000 1.482 274 H CB 1.377 31.113 29.762 -0.043 0.000 1.511 274 H HN 0.434 nan 8.280 nan 0.000 0.483 275 L N 1.857 123.035 121.223 -0.076 0.000 2.902 275 L HA 0.081 4.422 4.340 0.001 0.000 0.254 275 L C 0.250 177.077 176.870 -0.071 0.000 1.115 275 L CA 0.111 54.880 54.840 -0.118 0.000 0.947 275 L CB 0.667 42.650 42.059 -0.127 0.000 1.369 275 L HN 0.416 nan 8.230 nan 0.000 0.538 276 T N 2.073 116.605 114.554 -0.037 0.000 2.792 276 T HA 0.007 4.357 4.350 0.001 0.000 0.286 276 T C 1.584 176.272 174.700 -0.021 0.000 0.970 276 T CA 0.061 62.145 62.100 -0.027 0.000 1.187 276 T CB 0.553 69.413 68.868 -0.014 0.000 0.915 276 T HN 0.155 nan 8.240 nan 0.000 0.529 277 L N 2.748 123.954 121.223 -0.028 0.000 2.270 277 L HA -0.248 4.092 4.340 0.001 0.000 0.217 277 L C 2.872 179.745 176.870 0.005 0.000 1.107 277 L CA 1.348 56.176 54.840 -0.020 0.000 0.772 277 L CB -0.627 41.419 42.059 -0.022 0.000 0.902 277 L HN 0.729 nan 8.230 nan 0.000 0.439 278 Q N -0.058 119.746 119.800 0.007 0.000 2.020 278 Q HA -0.179 4.161 4.340 0.001 0.000 0.202 278 Q C 2.390 178.410 176.000 0.033 0.000 0.982 278 Q CA 1.701 57.514 55.803 0.018 0.000 0.838 278 Q CB -0.410 28.334 28.738 0.011 0.000 0.899 278 Q HN 0.647 nan 8.270 nan 0.000 0.423 279 G N 1.131 109.951 108.800 0.033 0.000 2.459 279 G HA2 -0.264 3.696 3.960 0.001 0.000 0.217 279 G HA3 -0.264 3.696 3.960 0.001 0.000 0.217 279 G C 1.427 176.384 174.900 0.094 0.000 1.183 279 G CA 0.943 46.076 45.100 0.056 0.000 0.776 279 G HN 0.257 nan 8.290 nan 0.000 0.552 280 I N 1.511 122.128 120.570 0.077 0.000 2.118 280 I HA -0.266 3.905 4.170 0.001 0.000 0.241 280 I C 3.321 179.545 176.117 0.179 0.000 1.070 280 I CA 1.279 62.644 61.300 0.108 0.000 1.327 280 I CB -0.328 37.662 38.000 -0.017 0.000 1.034 280 I HN 0.259 nan 8.210 nan 0.000 0.405 281 A N 0.599 123.483 122.820 0.106 0.000 1.933 281 A HA -0.216 4.105 4.320 0.001 0.000 0.218 281 A C 2.300 179.939 177.584 0.092 0.000 1.175 281 A CA 1.649 53.746 52.037 0.099 0.000 0.628 281 A CB -0.430 18.605 19.000 0.059 0.000 0.814 281 A HN 0.366 nan 8.150 nan 0.000 0.444 282 K N -0.278 120.170 120.400 0.080 0.000 2.057 282 K HA 0.002 4.323 4.320 0.001 0.000 0.206 282 K C 2.369 179.009 176.600 0.067 0.000 1.050 282 K CA 1.060 57.384 56.287 0.061 0.000 0.935 282 K CB -0.324 32.206 32.500 0.049 0.000 0.715 282 K HN 0.421 nan 8.250 nan 0.000 0.439 283 A N 2.536 125.420 122.820 0.106 0.000 1.858 283 A HA -0.239 4.082 4.320 0.001 0.000 0.216 283 A C 2.131 179.734 177.584 0.030 0.000 1.190 283 A CA 1.928 54.021 52.037 0.094 0.000 0.617 283 A CB -0.647 18.472 19.000 0.200 0.000 0.827 283 A HN 0.516 nan 8.150 nan 0.000 0.443 284 E N 0.357 120.611 120.200 0.089 0.000 2.160 284 E HA -0.269 4.082 4.350 0.001 0.000 0.195 284 E C 1.690 178.288 176.600 -0.005 0.000 0.991 284 E CA 1.536 57.935 56.400 -0.002 0.000 0.810 284 E CB -0.427 29.377 29.700 0.173 0.000 0.742 284 E HN 0.613 nan 8.360 nan 0.000 0.466 285 K N 0.577 120.994 120.400 0.028 0.000 2.281 285 K HA -0.074 4.247 4.320 0.001 0.000 0.203 285 K C 2.194 178.793 176.600 -0.002 0.000 1.046 285 K CA 1.136 57.433 56.287 0.016 0.000 0.938 285 K CB -0.133 32.382 32.500 0.024 0.000 0.737 285 K HN 0.254 nan 8.250 nan 0.000 0.458 286 L N -0.438 120.775 121.223 -0.016 0.000 2.044 286 L HA -0.100 4.241 4.340 0.001 0.000 0.205 286 L C 1.788 178.636 176.870 -0.037 0.000 1.075 286 L CA 1.218 56.044 54.840 -0.024 0.000 0.747 286 L CB -0.058 41.984 42.059 -0.028 0.000 0.903 286 L HN 0.167 nan 8.230 nan 0.000 0.435 287 L N -1.751 119.434 121.223 -0.064 0.000 3.664 287 L HA 0.370 4.711 4.340 0.001 0.000 0.341 287 L C 0.281 177.108 176.870 -0.071 0.000 1.247 287 L CA -0.221 54.581 54.840 -0.063 0.000 1.133 287 L CB 1.354 43.370 42.059 -0.071 0.000 1.498 287 L HN 0.197 nan 8.230 nan 0.000 0.628 288 G N -0.241 108.511 108.800 -0.080 0.000 2.721 288 G HA2 0.589 4.550 3.960 0.001 0.000 0.296 288 G HA3 0.589 4.550 3.960 0.001 0.000 0.296 288 G C -1.413 173.477 174.900 -0.017 0.000 1.383 288 G CA -0.540 44.522 45.100 -0.063 0.000 0.788 288 G HN -0.114 nan 8.290 nan 0.000 0.500 289 I N 0.593 121.175 120.570 0.019 0.000 2.488 289 I HA 0.241 4.411 4.170 0.001 0.000 0.299 289 I C 1.627 177.818 176.117 0.124 0.000 0.984 289 I CA -0.486 60.848 61.300 0.057 0.000 1.250 289 I CB 2.246 40.276 38.000 0.049 0.000 1.389 289 I HN 0.896 nan 8.210 nan 0.000 0.488 290 E N 3.825 124.112 120.200 0.144 0.000 2.147 290 E HA -0.220 4.131 4.350 0.001 0.000 0.199 290 E C 1.709 178.429 176.600 0.201 0.000 1.005 290 E CA 1.832 58.357 56.400 0.208 0.000 0.810 290 E CB 0.024 29.799 29.700 0.124 0.000 0.736 290 E HN 0.972 nan 8.360 nan 0.000 0.460 291 G N 1.734 110.613 108.800 0.131 0.000 2.736 291 G HA2 -0.282 3.678 3.960 0.001 0.000 0.214 291 G HA3 -0.282 3.678 3.960 0.001 0.000 0.214 291 G C 1.576 176.569 174.900 0.155 0.000 1.327 291 G CA 1.213 46.379 45.100 0.110 0.000 0.818 291 G HN 0.296 nan 8.290 nan 0.000 0.611 292 L N -0.296 121.005 121.223 0.129 0.000 2.151 292 L HA -0.270 4.071 4.340 0.001 0.000 0.219 292 L C 2.610 179.624 176.870 0.240 0.000 1.083 292 L CA 1.595 56.517 54.840 0.136 0.000 0.782 292 L CB -0.579 41.529 42.059 0.081 0.000 0.891 292 L HN 0.313 nan 8.230 nan 0.000 0.439 293 F N 0.136 120.137 119.950 0.086 0.000 2.069 293 F HA -0.320 4.208 4.527 0.001 0.000 0.298 293 F C 2.611 178.511 175.800 0.167 0.000 1.113 293 F CA 1.661 59.729 58.000 0.114 0.000 1.214 293 F CB 0.149 39.200 39.000 0.086 0.000 0.978 293 F HN 0.052 nan 8.300 nan 0.000 0.474 294 S N 0.066 115.961 115.700 0.326 0.000 2.336 294 S HA 0.005 4.475 4.470 0.001 0.000 0.216 294 S C -2.069 172.712 174.600 0.302 0.000 1.032 294 S CA 0.396 58.727 58.200 0.218 0.000 0.973 294 S CB -1.147 62.096 63.200 0.072 0.000 0.888 294 S HN 0.196 nan 8.310 nan 0.000 0.455 295 P HA 0.343 nan 4.420 nan 0.000 0.293 295 P C -0.296 177.108 177.300 0.174 0.000 1.313 295 P CA 0.372 63.578 63.100 0.176 0.000 0.787 295 P CB 1.312 33.058 31.700 0.077 0.000 0.910 296 E N 1.382 121.722 120.200 0.234 0.000 4.459 296 E HA -0.150 4.200 4.350 0.001 0.000 0.312 296 E C 0.359 177.114 176.600 0.258 0.000 0.670 296 E CA 0.846 57.399 56.400 0.256 0.000 1.781 296 E CB -1.453 28.307 29.700 0.100 0.000 1.823 296 E HN 0.523 nan 8.360 nan 0.000 0.453 297 N N 0.666 119.520 118.700 0.257 0.000 2.575 297 N HA 0.172 4.913 4.740 0.001 0.000 0.275 297 N C 1.078 176.768 175.510 0.300 0.000 1.202 297 N CA 0.182 53.370 53.050 0.229 0.000 0.945 297 N CB 0.064 38.665 38.487 0.189 0.000 1.247 297 N HN 0.323 nan 8.380 nan 0.000 0.510 298 M N -0.059 119.642 119.600 0.168 0.000 2.202 298 M HA -0.163 4.317 4.480 0.001 0.000 0.262 298 M C 1.696 177.957 176.300 -0.066 0.000 1.063 298 M CA 1.380 56.553 55.300 -0.212 0.000 1.097 298 M CB -0.241 31.942 32.600 -0.696 0.000 1.382 298 M HN 0.190 nan 8.290 nan 0.000 0.413 299 E N 0.472 120.704 120.200 0.054 0.000 2.216 299 E HA -0.112 4.239 4.350 0.001 0.000 0.192 299 E C 1.942 178.659 176.600 0.196 0.000 0.988 299 E CA 0.891 57.380 56.400 0.148 0.000 0.834 299 E CB -0.632 29.111 29.700 0.072 0.000 0.772 299 E HN 0.379 nan 8.360 nan 0.000 0.479 300 L N 1.393 122.727 121.223 0.185 0.000 2.095 300 L HA 0.092 4.432 4.340 0.001 0.000 0.204 300 L C 2.536 179.595 176.870 0.315 0.000 1.080 300 L CA 1.637 56.557 54.840 0.133 0.000 0.759 300 L CB -0.663 41.394 42.059 -0.004 0.000 0.914 300 L HN 0.153 nan 8.230 nan 0.000 0.439 301 A N -1.519 121.667 122.820 0.610 0.000 1.908 301 A HA -0.324 3.996 4.320 0.001 0.000 0.218 301 A C 2.244 180.168 177.584 0.566 0.000 1.181 301 A CA 2.025 54.525 52.037 0.772 0.000 0.627 301 A CB -1.102 18.371 19.000 0.788 0.000 0.818 301 A HN 0.670 nan 8.150 nan 0.000 0.445 302 H N -1.022 118.310 119.070 0.436 0.000 2.251 302 H HA -0.182 4.374 4.556 0.001 0.000 0.294 302 H C 2.211 177.666 175.328 0.211 0.000 1.078 302 H CA 2.051 58.306 56.048 0.345 0.000 1.246 302 H CB -0.146 29.778 29.762 0.271 0.000 1.358 302 H HN 0.458 nan 8.280 nan 0.000 0.488 303 M N -0.085 119.646 119.600 0.219 0.000 2.159 303 M HA -0.152 4.329 4.480 0.001 0.000 0.263 303 M C 2.504 178.849 176.300 0.074 0.000 1.063 303 M CA 1.059 56.376 55.300 0.028 0.000 1.110 303 M CB -0.078 32.430 32.600 -0.154 0.000 1.374 303 M HN 0.363 nan 8.290 nan 0.000 0.411 304 L N 0.797 122.110 121.223 0.150 0.000 2.005 304 L HA -0.146 4.195 4.340 0.001 0.000 0.207 304 L C 2.155 179.064 176.870 0.065 0.000 1.072 304 L CA 1.730 56.649 54.840 0.131 0.000 0.744 304 L CB -0.361 41.871 42.059 0.288 0.000 0.895 304 L HN 0.168 nan 8.230 nan 0.000 0.433 305 I N 0.061 120.726 120.570 0.158 0.000 2.151 305 I HA -0.373 3.797 4.170 0.001 0.000 0.243 305 I C 2.754 178.887 176.117 0.027 0.000 1.080 305 I CA 2.024 63.370 61.300 0.077 0.000 1.339 305 I CB -0.668 37.527 38.000 0.324 0.000 1.039 305 I HN 0.543 nan 8.210 nan 0.000 0.409 306 Q N 1.448 121.319 119.800 0.118 0.000 2.170 306 Q HA -0.161 4.180 4.340 0.001 0.000 0.203 306 Q C 2.260 178.274 176.000 0.022 0.000 0.976 306 Q CA 1.580 57.428 55.803 0.074 0.000 0.858 306 Q CB -0.491 28.299 28.738 0.086 0.000 0.907 306 Q HN 0.465 nan 8.270 nan 0.000 0.433 307 A N 1.802 124.630 122.820 0.012 0.000 1.877 307 A HA -0.120 4.201 4.320 0.001 0.000 0.216 307 A C 2.162 179.723 177.584 -0.039 0.000 1.186 307 A CA 1.513 53.547 52.037 -0.005 0.000 0.620 307 A CB -0.674 18.322 19.000 -0.007 0.000 0.822 307 A HN 0.449 nan 8.150 nan 0.000 0.443 308 I N -1.205 119.308 120.570 -0.095 0.000 2.546 308 I HA -0.187 3.984 4.170 0.001 0.000 0.255 308 I C 2.620 178.669 176.117 -0.113 0.000 1.163 308 I CA 0.958 62.177 61.300 -0.134 0.000 1.457 308 I CB -0.372 37.467 38.000 -0.269 0.000 1.092 308 I HN 0.233 nan 8.210 nan 0.000 0.434 309 R N 1.063 121.503 120.500 -0.099 0.000 2.092 309 R HA -0.049 4.292 4.340 0.001 0.000 0.231 309 R C 2.532 178.788 176.300 -0.073 0.000 1.119 309 R CA 1.355 57.394 56.100 -0.101 0.000 0.970 309 R CB -0.344 29.919 30.300 -0.062 0.000 0.864 309 R HN 0.372 nan 8.270 nan 0.000 0.440 310 A N 1.566 124.396 122.820 0.016 0.000 1.873 310 A HA -0.188 4.133 4.320 0.001 0.000 0.215 310 A C 2.062 179.706 177.584 0.100 0.000 1.186 310 A CA 1.384 53.485 52.037 0.108 0.000 0.616 310 A CB -0.330 18.705 19.000 0.058 0.000 0.823 310 A HN 0.210 nan 8.150 nan 0.000 0.442 311 K N -0.352 120.072 120.400 0.041 0.000 2.001 311 K HA -0.174 4.147 4.320 0.001 0.000 0.208 311 K C 2.062 178.693 176.600 0.051 0.000 1.048 311 K CA 1.760 58.075 56.287 0.046 0.000 0.932 311 K CB -0.209 32.299 32.500 0.013 0.000 0.715 311 K HN 0.567 nan 8.250 nan 0.000 0.437 312 E N 0.408 120.613 120.200 0.008 0.000 2.060 312 E HA -0.105 4.245 4.350 0.001 0.000 0.189 312 E C 1.557 178.168 176.600 0.019 0.000 0.974 312 E CA 0.849 57.268 56.400 0.032 0.000 0.808 312 E CB 0.113 29.797 29.700 -0.026 0.000 0.768 312 E HN 0.396 nan 8.360 nan 0.000 0.453 313 L N -1.748 119.388 121.223 -0.145 0.000 2.872 313 L HA 0.376 4.717 4.340 0.001 0.000 0.245 313 L C -0.860 175.610 176.870 -0.668 0.000 1.211 313 L CA -0.219 54.416 54.840 -0.341 0.000 1.013 313 L CB 0.159 41.971 42.059 -0.411 0.000 1.326 313 L HN -0.065 nan 8.230 nan 0.000 0.525 314 Y N 0.490 120.673 120.300 -0.195 0.000 2.344 314 Y HA 0.419 4.969 4.550 0.001 0.000 0.328 314 Y C -0.295 175.507 175.900 -0.164 0.000 1.067 314 Y CA -1.125 56.830 58.100 -0.241 0.000 1.247 314 Y CB 0.870 39.285 38.460 -0.075 0.000 1.113 314 Y HN 0.135 nan 8.280 nan 0.000 0.465 315 H N 3.954 123.118 119.070 0.156 0.000 3.017 315 H HA 0.104 4.660 4.556 0.001 0.000 0.276 315 H C 1.105 176.320 175.328 -0.189 0.000 1.062 315 H CA -0.090 55.960 56.048 0.004 0.000 1.486 315 H CB 0.685 30.444 29.762 -0.006 0.000 1.507 315 H HN 0.750 nan 8.280 nan 0.000 0.508 316 R N 2.612 122.993 120.500 -0.197 0.000 2.410 316 R HA -0.191 4.150 4.340 0.001 0.000 0.207 316 R C 0.634 176.466 176.300 -0.780 0.000 1.020 316 R CA 1.815 57.500 56.100 -0.692 0.000 0.796 316 R CB -0.126 30.031 30.300 -0.240 0.000 0.771 316 R HN 0.566 nan 8.270 nan 0.000 0.435 317 D N -0.006 120.187 120.400 -0.345 0.000 2.389 317 D HA -0.070 4.570 4.640 0.001 0.000 0.250 317 D C 1.219 177.431 176.300 -0.146 0.000 1.136 317 D CA 0.709 54.582 54.000 -0.212 0.000 0.945 317 D CB 0.166 40.905 40.800 -0.102 0.000 0.890 317 D HN 0.357 nan 8.370 nan 0.000 0.525 318 R N -0.732 119.675 120.500 -0.155 0.000 2.243 318 R HA 0.059 4.399 4.340 0.001 0.000 0.193 318 R C 1.533 177.811 176.300 -0.036 0.000 0.933 318 R CA -0.171 55.900 56.100 -0.048 0.000 1.105 318 R CB 0.422 30.744 30.300 0.037 0.000 1.169 318 R HN -0.079 nan 8.270 nan 0.000 0.599 319 D N 0.282 120.637 120.400 -0.075 0.000 2.346 319 D HA 0.009 4.649 4.640 0.001 0.000 0.206 319 D C -0.682 175.685 176.300 0.112 0.000 1.001 319 D CA 0.548 54.561 54.000 0.023 0.000 0.871 319 D CB 0.684 41.535 40.800 0.085 0.000 0.943 319 D HN 0.146 nan 8.370 nan 0.000 0.518 320 Y N -1.198 119.113 120.300 0.017 0.000 2.436 320 Y HA 0.462 5.012 4.550 0.001 0.000 0.327 320 Y C -1.325 174.575 175.900 -0.000 0.000 1.138 320 Y CA -1.382 56.716 58.100 -0.004 0.000 1.042 320 Y CB 0.109 38.571 38.460 0.003 0.000 1.302 320 Y HN -0.313 nan 8.280 nan 0.000 0.439 321 I N 4.644 125.288 120.570 0.123 0.000 2.315 321 I HA 0.455 4.625 4.170 0.001 0.000 0.291 321 I C -0.399 175.792 176.117 0.123 0.000 1.006 321 I CA -1.227 60.114 61.300 0.069 0.000 1.265 321 I CB 1.384 39.401 38.000 0.029 0.000 1.387 321 I HN 0.481 nan 8.210 nan 0.000 0.475 322 V N 6.960 126.950 119.914 0.126 0.000 2.567 322 V HA 0.313 4.434 4.120 0.001 0.000 0.289 322 V C 0.180 176.309 176.094 0.059 0.000 1.049 322 V CA -0.419 61.949 62.300 0.114 0.000 0.969 322 V CB 1.236 33.137 31.823 0.131 0.000 0.995 322 V HN 0.852 nan 8.190 nan 0.000 0.471 323 Q N 1.567 121.393 119.800 0.044 0.000 2.587 323 Q HA 0.469 4.810 4.340 0.001 0.000 0.293 323 Q C 0.057 176.072 176.000 0.025 0.000 1.083 323 Q CA -0.864 54.957 55.803 0.029 0.000 0.792 323 Q CB 1.286 30.039 28.738 0.024 0.000 1.484 323 Q HN 0.393 nan 8.270 nan 0.000 0.446 324 D N 0.349 120.761 120.400 0.021 0.000 2.228 324 D HA -0.116 4.525 4.640 0.001 0.000 0.203 324 D C 1.372 177.683 176.300 0.018 0.000 0.988 324 D CA 1.928 55.940 54.000 0.019 0.000 0.864 324 D CB -0.305 40.505 40.800 0.017 0.000 0.928 324 D HN 0.647 nan 8.370 nan 0.000 0.469 325 G N -1.101 107.710 108.800 0.018 0.000 2.752 325 G HA2 0.010 3.971 3.960 0.001 0.000 0.209 325 G HA3 0.010 3.971 3.960 0.001 0.000 0.209 325 G C 0.573 175.481 174.900 0.013 0.000 1.392 325 G CA 0.451 45.561 45.100 0.017 0.000 0.873 325 G HN 0.346 nan 8.290 nan 0.000 0.586 326 Q N -2.518 117.287 119.800 0.009 0.000 2.814 326 Q HA 0.387 4.728 4.340 0.001 0.000 0.322 326 Q C -1.277 174.713 176.000 -0.017 0.000 0.861 326 Q CA -0.969 54.828 55.803 -0.010 0.000 0.773 326 Q CB 1.980 30.709 28.738 -0.015 0.000 1.423 326 Q HN 0.153 nan 8.270 nan 0.000 0.495 327 V N 2.325 122.193 119.914 -0.077 0.000 2.509 327 V HA 0.040 4.160 4.120 0.001 0.000 0.297 327 V C -0.182 175.878 176.094 -0.056 0.000 1.014 327 V CA 1.007 63.242 62.300 -0.109 0.000 1.127 327 V CB -0.562 31.039 31.823 -0.370 0.000 0.925 327 V HN 0.396 nan 8.190 nan 0.000 0.480 328 I N 6.436 127.008 120.570 0.004 0.000 2.420 328 I HA 0.387 4.558 4.170 0.001 0.000 0.282 328 I C 0.307 176.424 176.117 -0.000 0.000 1.019 328 I CA -0.510 60.783 61.300 -0.010 0.000 1.130 328 I CB 1.363 39.365 38.000 0.004 0.000 1.262 328 I HN 0.476 nan 8.210 nan 0.000 0.454 329 I N 5.694 126.198 120.570 -0.111 0.000 3.141 329 I HA -0.047 4.123 4.170 0.001 0.000 0.295 329 I C 0.112 176.208 176.117 -0.036 0.000 1.252 329 I CA 0.342 61.569 61.300 -0.122 0.000 1.406 329 I CB 0.324 38.065 38.000 -0.432 0.000 1.333 329 I HN 0.235 nan 8.210 nan 0.000 0.594 330 V N 3.737 123.652 119.914 0.003 0.000 2.680 330 V HA 0.272 4.393 4.120 0.001 0.000 0.309 330 V C -0.452 175.587 176.094 -0.092 0.000 1.052 330 V CA -0.765 61.521 62.300 -0.023 0.000 0.908 330 V CB 2.027 33.853 31.823 0.005 0.000 1.001 330 V HN 0.614 nan 8.190 nan 0.000 0.431 331 D N 3.043 123.375 120.400 -0.114 0.000 2.274 331 D HA 0.267 4.908 4.640 0.001 0.000 0.239 331 D C 0.348 176.525 176.300 -0.205 0.000 1.104 331 D CA -0.223 53.632 54.000 -0.240 0.000 0.840 331 D CB 2.238 42.970 40.800 -0.113 0.000 1.100 331 D HN 0.593 nan 8.370 nan 0.000 0.477 332 E N 1.322 121.317 120.200 -0.341 0.000 2.511 332 E HA 0.004 4.355 4.350 0.001 0.000 0.196 332 E C 0.973 177.578 176.600 0.009 0.000 1.066 332 E CA 0.350 56.665 56.400 -0.142 0.000 0.871 332 E CB 0.206 29.833 29.700 -0.121 0.000 0.863 332 E HN 0.513 nan 8.360 nan 0.000 0.520 333 F N -0.488 119.483 119.950 0.034 0.000 2.059 333 F HA -0.087 4.441 4.527 0.001 0.000 0.289 333 F C 2.109 177.926 175.800 0.028 0.000 1.128 333 F CA 0.740 58.759 58.000 0.031 0.000 1.181 333 F CB -0.061 38.957 39.000 0.029 0.000 1.012 333 F HN -0.036 nan 8.300 nan 0.000 0.473 334 T N -1.058 113.640 114.554 0.239 0.000 3.060 334 T HA 0.219 4.569 4.350 0.001 0.000 0.249 334 T C 1.111 175.854 174.700 0.072 0.000 1.079 334 T CA 0.608 62.788 62.100 0.132 0.000 1.013 334 T CB 0.041 68.977 68.868 0.113 0.000 0.975 334 T HN 0.537 nan 8.240 nan 0.000 0.518 335 G N 3.339 112.172 108.800 0.054 0.000 2.324 335 G HA2 -0.257 3.703 3.960 0.001 0.000 0.292 335 G HA3 -0.257 3.703 3.960 0.001 0.000 0.292 335 G C -0.047 174.859 174.900 0.010 0.000 1.079 335 G CA 0.275 45.390 45.100 0.024 0.000 1.026 335 G HN 0.823 nan 8.290 nan 0.000 0.506 336 R N -1.501 119.001 120.500 0.004 0.000 2.795 336 R HA 0.802 5.143 4.340 0.001 0.000 0.268 336 R C -0.262 176.031 176.300 -0.012 0.000 1.041 336 R CA -1.383 54.714 56.100 -0.006 0.000 0.927 336 R CB 0.981 31.276 30.300 -0.009 0.000 1.235 336 R HN 0.108 nan 8.270 nan 0.000 0.463 337 L N 1.196 122.411 121.223 -0.012 0.000 2.439 337 L HA 0.297 4.637 4.340 0.001 0.000 0.269 337 L C 0.271 177.128 176.870 -0.021 0.000 1.179 337 L CA -0.361 54.471 54.840 -0.013 0.000 0.828 337 L CB 0.881 42.935 42.059 -0.007 0.000 1.106 337 L HN 0.551 nan 8.230 nan 0.000 0.467 338 M N 5.097 124.674 119.600 -0.039 0.000 2.151 338 M HA 0.270 4.751 4.480 0.001 0.000 0.349 338 M C -2.255 174.014 176.300 -0.051 0.000 1.284 338 M CA -1.651 53.617 55.300 -0.053 0.000 1.173 338 M CB 0.842 33.378 32.600 -0.107 0.000 1.469 338 M HN 0.171 nan 8.290 nan 0.000 0.439 339 P HA 0.081 nan 4.420 nan 0.000 0.261 339 P C 0.338 177.627 177.300 -0.018 0.000 1.203 339 P CA 0.682 63.778 63.100 -0.007 0.000 0.767 339 P CB 0.295 32.007 31.700 0.020 0.000 0.785 340 G N 2.951 111.734 108.800 -0.029 0.000 2.390 340 G HA2 -0.314 3.647 3.960 0.001 0.000 0.299 340 G HA3 -0.314 3.647 3.960 0.001 0.000 0.299 340 G C 0.083 174.915 174.900 -0.113 0.000 1.002 340 G CA -0.076 44.994 45.100 -0.050 0.000 0.979 340 G HN 0.551 nan 8.290 nan 0.000 0.513 341 R N -0.423 119.972 120.500 -0.176 0.000 2.437 341 R HA 0.554 4.895 4.340 0.001 0.000 0.310 341 R C 1.085 177.118 176.300 -0.445 0.000 0.955 341 R CA -0.775 55.173 56.100 -0.252 0.000 0.851 341 R CB 0.967 31.142 30.300 -0.209 0.000 1.161 341 R HN 0.402 nan 8.270 nan 0.000 0.446 342 R N 1.749 121.930 120.500 -0.531 0.000 2.527 342 R HA 0.299 4.639 4.340 0.001 0.000 0.243 342 R C -0.509 175.465 176.300 -0.543 0.000 1.206 342 R CA -0.537 55.023 56.100 -0.900 0.000 1.134 342 R CB 0.676 30.480 30.300 -0.827 0.000 1.347 342 R HN 0.488 nan 8.270 nan 0.000 0.580 343 Y N -0.853 119.284 120.300 -0.271 0.000 2.387 343 Y HA 0.291 4.841 4.550 0.001 0.000 0.336 343 Y C 1.031 176.863 175.900 -0.115 0.000 1.067 343 Y CA -0.975 57.047 58.100 -0.129 0.000 1.114 343 Y CB 1.974 40.381 38.460 -0.089 0.000 1.208 343 Y HN 0.681 nan 8.280 nan 0.000 0.458 344 G N 1.289 110.173 108.800 0.141 0.000 2.614 344 G HA2 0.199 4.159 3.960 0.001 0.000 0.239 344 G HA3 0.199 4.159 3.960 0.001 0.000 0.239 344 G C 0.302 175.141 174.900 -0.101 0.000 1.240 344 G CA 0.415 45.530 45.100 0.025 0.000 0.842 344 G HN 1.008 nan 8.290 nan 0.000 0.584 345 E N -1.652 118.449 120.200 -0.166 0.000 3.680 345 E HA -0.238 4.113 4.350 0.001 0.000 0.309 345 E C 1.332 177.824 176.600 -0.180 0.000 0.793 345 E CA 2.212 58.406 56.400 -0.343 0.000 1.083 345 E CB -1.540 27.498 29.700 -1.102 0.000 1.548 345 E HN 2.418 nan 8.360 nan 0.000 0.456 346 G N -0.222 108.515 108.800 -0.105 0.000 2.159 346 G HA2 -0.307 3.653 3.960 0.001 0.000 0.227 346 G HA3 -0.307 3.653 3.960 0.001 0.000 0.227 346 G C 0.698 175.559 174.900 -0.066 0.000 0.986 346 G CA 0.457 45.504 45.100 -0.088 0.000 0.651 346 G HN 0.869 nan 8.290 nan 0.000 0.523 347 L N 0.327 121.515 121.223 -0.058 0.000 2.265 347 L HA 0.129 4.470 4.340 0.001 0.000 0.215 347 L C 2.208 179.068 176.870 -0.017 0.000 1.117 347 L CA 2.758 57.571 54.840 -0.045 0.000 0.782 347 L CB -0.344 41.658 42.059 -0.094 0.000 0.914 347 L HN 0.476 nan 8.230 nan 0.000 0.441 348 H N 0.283 119.315 119.070 -0.062 0.000 2.254 348 H HA -0.218 4.338 4.556 0.001 0.000 0.294 348 H C 2.142 177.344 175.328 -0.211 0.000 1.071 348 H CA 2.551 58.550 56.048 -0.083 0.000 1.228 348 H CB -0.189 29.481 29.762 -0.153 0.000 1.358 348 H HN 0.541 nan 8.280 nan 0.000 0.495 349 Q N 0.220 119.817 119.800 -0.339 0.000 2.297 349 Q HA -0.097 4.244 4.340 0.001 0.000 0.208 349 Q C 2.358 178.082 176.000 -0.460 0.000 0.981 349 Q CA 1.260 56.739 55.803 -0.541 0.000 0.876 349 Q CB -0.674 27.544 28.738 -0.867 0.000 0.921 349 Q HN 0.584 nan 8.270 nan 0.000 0.446 350 A N 1.766 124.427 122.820 -0.266 0.000 1.872 350 A HA -0.035 4.286 4.320 0.001 0.000 0.214 350 A C 2.217 179.714 177.584 -0.145 0.000 1.187 350 A CA 0.931 52.920 52.037 -0.080 0.000 0.614 350 A CB -0.564 18.449 19.000 0.021 0.000 0.826 350 A HN 0.308 nan 8.150 nan 0.000 0.442 351 I N -0.502 119.953 120.570 -0.192 0.000 2.756 351 I HA -0.192 3.979 4.170 0.001 0.000 0.262 351 I C 2.286 178.232 176.117 -0.284 0.000 1.225 351 I CA 1.074 62.246 61.300 -0.214 0.000 1.472 351 I CB -0.247 37.569 38.000 -0.307 0.000 1.094 351 I HN 0.470 nan 8.210 nan 0.000 0.454 352 E N 0.806 120.793 120.200 -0.356 0.000 2.086 352 E HA -0.056 4.294 4.350 0.001 0.000 0.190 352 E C 2.383 178.794 176.600 -0.315 0.000 0.975 352 E CA 0.894 57.093 56.400 -0.335 0.000 0.813 352 E CB -0.034 29.438 29.700 -0.381 0.000 0.768 352 E HN 0.438 nan 8.360 nan 0.000 0.457 353 A N 1.342 123.927 122.820 -0.390 0.000 1.972 353 A HA -0.199 4.122 4.320 0.001 0.000 0.219 353 A C 2.021 179.379 177.584 -0.376 0.000 1.169 353 A CA 1.513 53.187 52.037 -0.605 0.000 0.635 353 A CB -0.198 18.536 19.000 -0.443 0.000 0.810 353 A HN -0.038 nan 8.150 nan 0.000 0.446 354 K N 0.117 120.399 120.400 -0.197 0.000 2.062 354 K HA -0.024 4.297 4.320 0.001 0.000 0.205 354 K C 1.512 178.077 176.600 -0.059 0.000 1.051 354 K CA 1.263 57.495 56.287 -0.092 0.000 0.941 354 K CB -0.067 32.420 32.500 -0.021 0.000 0.719 354 K HN 0.304 nan 8.250 nan 0.000 0.440 355 E N -0.253 119.912 120.200 -0.057 0.000 2.494 355 E HA 0.049 4.399 4.350 0.001 0.000 0.193 355 E C 0.544 177.131 176.600 -0.023 0.000 1.074 355 E CA 0.694 57.091 56.400 -0.004 0.000 0.867 355 E CB -0.018 29.703 29.700 0.035 0.000 0.924 355 E HN 0.540 nan 8.360 nan 0.000 0.502 356 G N 1.187 109.938 108.800 -0.081 0.000 2.187 356 G HA2 -0.309 3.652 3.960 0.001 0.000 0.261 356 G HA3 -0.309 3.652 3.960 0.001 0.000 0.261 356 G C 0.519 175.455 174.900 0.060 0.000 1.000 356 G CA 0.608 45.703 45.100 -0.007 0.000 0.718 356 G HN 0.189 nan 8.290 nan 0.000 0.519 357 V N 0.553 120.458 119.914 -0.016 0.000 2.555 357 V HA 0.301 4.422 4.120 0.001 0.000 0.286 357 V C 1.417 177.563 176.094 0.087 0.000 1.044 357 V CA -0.547 61.762 62.300 0.014 0.000 1.026 357 V CB 1.012 32.802 31.823 -0.055 0.000 0.981 357 V HN 0.455 nan 8.190 nan 0.000 0.480 358 R N 3.924 124.497 120.500 0.121 0.000 2.583 358 R HA 0.235 4.576 4.340 0.001 0.000 0.274 358 R C -0.321 176.037 176.300 0.097 0.000 0.998 358 R CA 0.293 56.483 56.100 0.150 0.000 1.081 358 R CB 0.130 30.472 30.300 0.071 0.000 0.940 358 R HN 0.586 nan 8.270 nan 0.000 0.413 359 I N 1.946 122.601 120.570 0.142 0.000 2.676 359 I HA 0.151 4.321 4.170 0.001 0.000 0.309 359 I C 0.857 177.000 176.117 0.044 0.000 0.990 359 I CA -0.940 60.392 61.300 0.055 0.000 1.168 359 I CB 1.388 39.429 38.000 0.068 0.000 1.343 359 I HN 0.623 nan 8.210 nan 0.000 0.482 360 E N 5.372 125.589 120.200 0.028 0.000 2.392 360 E HA 0.190 4.541 4.350 0.001 0.000 0.256 360 E C -0.785 175.849 176.600 0.056 0.000 1.145 360 E CA -0.147 56.282 56.400 0.049 0.000 0.929 360 E CB 0.963 30.713 29.700 0.082 0.000 0.998 360 E HN 0.590 nan 8.360 nan 0.000 0.442 361 R N 1.915 122.445 120.500 0.049 0.000 2.627 361 R HA 0.202 4.542 4.340 0.001 0.000 0.251 361 R C -0.654 175.668 176.300 0.036 0.000 1.524 361 R CA -0.209 55.919 56.100 0.047 0.000 1.606 361 R CB 0.508 30.827 30.300 0.032 0.000 1.396 361 R HN 0.705 nan 8.270 nan 0.000 0.724 362 E N -0.179 120.045 120.200 0.041 0.000 2.446 362 E HA 0.330 4.681 4.350 0.001 0.000 0.267 362 E C -0.696 175.910 176.600 0.009 0.000 0.955 362 E CA -1.158 55.252 56.400 0.016 0.000 0.842 362 E CB 0.811 30.508 29.700 -0.005 0.000 1.504 362 E HN 0.098 nan 8.360 nan 0.000 0.438 363 N N 0.441 119.131 118.700 -0.017 0.000 2.327 363 N HA 0.229 4.969 4.740 0.001 0.000 0.257 363 N C -0.470 174.985 175.510 -0.091 0.000 1.281 363 N CA -0.320 52.714 53.050 -0.026 0.000 0.942 363 N CB 0.751 39.227 38.487 -0.019 0.000 1.199 363 N HN 0.529 nan 8.380 nan 0.000 0.532 364 Q N -1.797 117.950 119.800 -0.087 0.000 2.721 364 Q HA 0.261 4.602 4.340 0.001 0.000 0.282 364 Q C -1.659 174.283 176.000 -0.098 0.000 0.932 364 Q CA -0.404 55.299 55.803 -0.168 0.000 0.816 364 Q CB 1.317 29.914 28.738 -0.235 0.000 1.506 364 Q HN 0.653 nan 8.270 nan 0.000 0.399 365 T N 2.948 117.423 114.554 -0.132 0.000 2.908 365 T HA 0.220 4.570 4.350 0.001 0.000 0.301 365 T C 0.712 175.363 174.700 -0.082 0.000 1.019 365 T CA 0.505 62.544 62.100 -0.102 0.000 1.152 365 T CB 0.047 68.827 68.868 -0.146 0.000 0.966 365 T HN 0.464 nan 8.240 nan 0.000 0.540 366 L N 1.348 122.559 121.223 -0.020 0.000 2.749 366 L HA 0.576 4.917 4.340 0.001 0.000 0.242 366 L C 0.778 177.727 176.870 0.133 0.000 1.103 366 L CA -0.358 54.508 54.840 0.044 0.000 0.906 366 L CB 0.230 42.340 42.059 0.084 0.000 1.228 366 L HN 0.686 nan 8.230 nan 0.000 0.517 367 A N 0.100 122.981 122.820 0.101 0.000 2.549 367 A HA 0.602 4.922 4.320 0.001 0.000 0.306 367 A C -0.711 176.919 177.584 0.076 0.000 1.053 367 A CA -0.293 51.875 52.037 0.218 0.000 0.892 367 A CB 0.626 19.787 19.000 0.268 0.000 1.329 367 A HN -0.072 nan 8.150 nan 0.000 0.388 368 T N 1.895 116.493 114.554 0.073 0.000 2.893 368 T HA 0.773 5.123 4.350 0.001 0.000 0.293 368 T C -0.888 173.807 174.700 -0.009 0.000 1.027 368 T CA -0.298 61.786 62.100 -0.027 0.000 0.988 368 T CB 1.478 70.316 68.868 -0.050 0.000 1.043 368 T HN 1.350 nan 8.240 nan 0.000 0.461 369 I N 1.616 122.128 120.570 -0.095 0.000 2.841 369 I HA 0.553 4.723 4.170 0.001 0.000 0.298 369 I C -0.535 175.505 176.117 -0.129 0.000 1.304 369 I CA -0.199 61.054 61.300 -0.077 0.000 1.019 369 I CB 2.479 40.415 38.000 -0.106 0.000 1.282 369 I HN 0.635 nan 8.210 nan 0.000 0.432 370 T N 4.944 119.486 114.554 -0.019 0.000 2.806 370 T HA 0.318 4.668 4.350 0.001 0.000 0.290 370 T C 0.856 175.647 174.700 0.152 0.000 0.966 370 T CA 0.258 62.389 62.100 0.051 0.000 1.060 370 T CB 0.384 69.314 68.868 0.104 0.000 0.927 370 T HN 0.518 nan 8.240 nan 0.000 0.485 371 Y N 2.518 122.948 120.300 0.217 0.000 2.298 371 Y HA -0.229 4.322 4.550 0.001 0.000 0.287 371 Y C 2.605 178.800 175.900 0.491 0.000 1.164 371 Y CA 1.522 59.851 58.100 0.382 0.000 1.229 371 Y CB -0.053 38.622 38.460 0.358 0.000 0.977 371 Y HN 0.689 nan 8.280 nan 0.000 0.538 372 Q N -0.095 120.015 119.800 0.516 0.000 1.941 372 Q HA -0.157 4.184 4.340 0.001 0.000 0.201 372 Q C 2.029 178.231 176.000 0.337 0.000 0.982 372 Q CA 1.586 57.647 55.803 0.431 0.000 0.839 372 Q CB -0.354 28.459 28.738 0.125 0.000 0.904 372 Q HN 0.340 nan 8.270 nan 0.000 0.427 373 N N -0.104 118.715 118.700 0.198 0.000 2.149 373 N HA -0.152 4.588 4.740 0.001 0.000 0.188 373 N C 1.481 177.091 175.510 0.167 0.000 1.019 373 N CA 0.828 53.964 53.050 0.142 0.000 0.857 373 N CB -0.307 38.239 38.487 0.099 0.000 0.997 373 N HN 0.135 nan 8.380 nan 0.000 0.426 374 F N 1.528 121.476 119.950 -0.004 0.000 1.997 374 F HA -0.124 4.404 4.527 0.001 0.000 0.296 374 F C 1.985 177.767 175.800 -0.031 0.000 1.160 374 F CA 1.263 59.146 58.000 -0.194 0.000 1.176 374 F CB -1.177 37.620 39.000 -0.338 0.000 0.964 374 F HN -0.116 nan 8.300 nan 0.000 0.484 375 F N 0.784 120.538 119.950 -0.327 0.000 2.346 375 F HA -0.172 4.356 4.527 0.001 0.000 0.301 375 F C 2.401 178.156 175.800 -0.075 0.000 1.070 375 F CA 1.192 58.962 58.000 -0.383 0.000 1.407 375 F CB -0.453 38.356 39.000 -0.319 0.000 1.072 375 F HN 0.000 nan 8.300 nan 0.000 0.543 376 R N -0.144 120.497 120.500 0.234 0.000 2.235 376 R HA -0.071 4.270 4.340 0.001 0.000 0.213 376 R C 1.894 178.257 176.300 0.104 0.000 1.059 376 R CA 0.637 56.858 56.100 0.201 0.000 0.997 376 R CB -0.232 30.154 30.300 0.143 0.000 0.884 376 R HN 0.378 nan 8.270 nan 0.000 0.462 377 L N -0.695 120.543 121.223 0.026 0.000 2.179 377 L HA -0.040 4.301 4.340 0.001 0.000 0.208 377 L C 0.468 177.335 176.870 -0.005 0.000 1.096 377 L CA 0.246 55.075 54.840 -0.018 0.000 0.779 377 L CB -0.301 41.683 42.059 -0.124 0.000 0.922 377 L HN 0.047 nan 8.230 nan 0.000 0.443 378 Y N 1.000 121.196 120.300 -0.173 0.000 2.861 378 Y HA -0.220 4.330 4.550 0.001 0.000 0.344 378 Y C 1.780 177.650 175.900 -0.051 0.000 1.272 378 Y CA 0.582 58.609 58.100 -0.122 0.000 1.502 378 Y CB 0.164 38.540 38.460 -0.140 0.000 1.333 378 Y HN 0.062 nan 8.280 nan 0.000 0.634 379 E N 1.231 121.474 120.200 0.071 0.000 2.204 379 E HA -0.153 4.198 4.350 0.001 0.000 0.194 379 E C -0.009 176.621 176.600 0.050 0.000 0.989 379 E CA 1.032 57.450 56.400 0.030 0.000 0.824 379 E CB 0.223 29.894 29.700 -0.048 0.000 0.756 379 E HN 0.502 nan 8.360 nan 0.000 0.477 380 K N 0.125 120.593 120.400 0.113 0.000 2.589 380 K HA 0.141 4.462 4.320 0.001 0.000 0.253 380 K C -1.486 175.176 176.600 0.104 0.000 0.974 380 K CA -0.864 55.519 56.287 0.161 0.000 0.835 380 K CB 0.872 33.509 32.500 0.229 0.000 1.272 380 K HN -0.072 nan 8.250 nan 0.000 0.444 381 R N 2.318 122.799 120.500 -0.032 0.000 2.787 381 R HA 0.942 5.282 4.340 0.001 0.000 0.271 381 R C -1.049 175.098 176.300 -0.255 0.000 0.993 381 R CA -0.817 55.127 56.100 -0.260 0.000 0.993 381 R CB 1.724 31.870 30.300 -0.256 0.000 1.155 381 R HN 0.557 nan 8.270 nan 0.000 0.486 382 A N -0.360 122.213 122.820 -0.412 0.000 2.536 382 A HA 0.828 5.148 4.320 0.001 0.000 0.293 382 A C -0.993 176.336 177.584 -0.425 0.000 1.119 382 A CA -0.229 51.611 52.037 -0.329 0.000 0.654 382 A CB 1.473 20.355 19.000 -0.196 0.000 1.291 382 A HN 1.127 nan 8.150 nan 0.000 0.439 383 G N -1.176 107.413 108.800 -0.351 0.000 2.441 383 G HA2 0.716 4.676 3.960 0.001 0.000 0.294 383 G HA3 0.716 4.676 3.960 0.001 0.000 0.294 383 G C -1.039 173.698 174.900 -0.272 0.000 1.393 383 G CA 0.039 44.921 45.100 -0.363 0.000 0.796 383 G HN 1.957 nan 8.290 nan 0.000 0.494 384 M N -0.949 118.509 119.600 -0.237 0.000 2.569 384 M HA 0.890 5.371 4.480 0.001 0.000 0.279 384 M C -0.928 175.294 176.300 -0.129 0.000 1.253 384 M CA -0.801 54.403 55.300 -0.161 0.000 0.867 384 M CB 2.120 34.651 32.600 -0.114 0.000 1.727 384 M HN 1.373 nan 8.290 nan 0.000 0.467 385 T N -0.577 113.928 114.554 -0.082 0.000 2.886 385 T HA 0.400 4.751 4.350 0.001 0.000 0.341 385 T C 0.312 175.001 174.700 -0.018 0.000 1.839 385 T CA 0.145 62.217 62.100 -0.047 0.000 1.052 385 T CB 0.971 69.815 68.868 -0.041 0.000 1.715 385 T HN 1.075 nan 8.240 nan 0.000 0.504 386 G N 1.106 109.902 108.800 -0.007 0.000 2.484 386 G HA2 0.244 4.205 3.960 0.001 0.000 0.218 386 G HA3 0.244 4.205 3.960 0.001 0.000 0.218 386 G C 0.619 175.525 174.900 0.011 0.000 1.130 386 G CA 1.097 46.199 45.100 0.004 0.000 0.784 386 G HN 1.326 nan 8.290 nan 0.000 0.543 387 T N -3.346 111.218 114.554 0.015 0.000 2.892 387 T HA 0.730 5.081 4.350 0.001 0.000 0.311 387 T C 0.067 174.810 174.700 0.071 0.000 1.033 387 T CA 0.025 62.143 62.100 0.029 0.000 0.991 387 T CB 1.756 70.631 68.868 0.011 0.000 0.981 387 T HN 0.380 nan 8.240 nan 0.000 0.457 388 A N 3.086 125.968 122.820 0.104 0.000 1.998 388 A HA 0.359 4.679 4.320 0.001 0.000 0.180 388 A C 1.684 179.394 177.584 0.210 0.000 1.858 388 A CA -0.019 52.160 52.037 0.235 0.000 1.403 388 A CB -0.239 18.924 19.000 0.271 0.000 1.550 388 A HN 0.620 nan 8.150 nan 0.000 0.385 389 K N 0.370 120.844 120.400 0.123 0.000 2.218 389 K HA -0.155 4.166 4.320 0.001 0.000 0.205 389 K C 1.640 178.274 176.600 0.057 0.000 1.046 389 K CA 1.823 58.168 56.287 0.096 0.000 0.933 389 K CB -0.177 32.359 32.500 0.061 0.000 0.728 389 K HN 0.421 nan 8.250 nan 0.000 0.454 390 T N 1.178 115.751 114.554 0.030 0.000 2.803 390 T HA -0.100 4.251 4.350 0.001 0.000 0.269 390 T C 0.522 175.191 174.700 -0.052 0.000 1.052 390 T CA 1.224 63.316 62.100 -0.012 0.000 1.136 390 T CB 0.017 68.872 68.868 -0.021 0.000 0.864 390 T HN 0.305 nan 8.240 nan 0.000 0.467 391 E N 0.484 120.628 120.200 -0.093 0.000 2.815 391 E HA 0.163 4.513 4.350 0.001 0.000 0.211 391 E C 1.054 177.481 176.600 -0.287 0.000 1.004 391 E CA -0.116 56.131 56.400 -0.255 0.000 1.173 391 E CB 0.484 29.892 29.700 -0.487 0.000 1.163 391 E HN 0.589 nan 8.360 nan 0.000 0.449 392 E N 2.044 122.234 120.200 -0.016 0.000 2.051 392 E HA -0.192 4.159 4.350 0.001 0.000 0.192 392 E C 1.970 178.620 176.600 0.083 0.000 0.991 392 E CA 1.044 57.522 56.400 0.130 0.000 0.799 392 E CB 0.216 29.988 29.700 0.120 0.000 0.748 392 E HN -0.022 nan 8.360 nan 0.000 0.449 393 K N 0.676 121.092 120.400 0.026 0.000 2.211 393 K HA -0.258 4.063 4.320 0.001 0.000 0.204 393 K C 1.911 178.534 176.600 0.038 0.000 1.047 393 K CA 1.698 58.005 56.287 0.034 0.000 0.935 393 K CB -0.032 32.477 32.500 0.016 0.000 0.728 393 K HN 0.217 nan 8.250 nan 0.000 0.452 394 E N -0.297 119.892 120.200 -0.018 0.000 2.008 394 E HA -0.115 4.236 4.350 0.001 0.000 0.191 394 E C 1.856 178.481 176.600 0.042 0.000 0.986 394 E CA 1.093 57.470 56.400 -0.038 0.000 0.807 394 E CB -0.343 29.257 29.700 -0.166 0.000 0.766 394 E HN 0.299 nan 8.360 nan 0.000 0.450 395 F N 1.098 121.104 119.950 0.094 0.000 2.045 395 F HA -0.347 4.181 4.527 0.001 0.000 0.297 395 F C 2.883 178.745 175.800 0.104 0.000 1.114 395 F CA 1.565 59.651 58.000 0.144 0.000 1.207 395 F CB -0.455 38.595 39.000 0.084 0.000 0.964 395 F HN 0.227 nan 8.300 nan 0.000 0.486 396 Q N 0.202 120.171 119.800 0.282 0.000 2.045 396 Q HA -0.305 4.036 4.340 0.001 0.000 0.206 396 Q C 2.072 178.132 176.000 0.100 0.000 0.991 396 Q CA 2.150 58.047 55.803 0.156 0.000 0.851 396 Q CB -0.148 28.657 28.738 0.111 0.000 0.911 396 Q HN 0.247 nan 8.270 nan 0.000 0.418 397 E N -0.003 120.238 120.200 0.069 0.000 2.072 397 E HA -0.108 4.243 4.350 0.001 0.000 0.190 397 E C 1.647 178.226 176.600 -0.035 0.000 0.982 397 E CA 1.273 57.683 56.400 0.017 0.000 0.803 397 E CB -0.086 29.620 29.700 0.009 0.000 0.755 397 E HN 0.480 nan 8.360 nan 0.000 0.453 398 I N -1.124 119.393 120.570 -0.089 0.000 2.339 398 I HA -0.144 4.026 4.170 0.001 0.000 0.245 398 I C 1.088 176.978 176.117 -0.379 0.000 1.096 398 I CA 0.769 61.883 61.300 -0.309 0.000 1.408 398 I CB 0.009 37.678 38.000 -0.552 0.000 1.092 398 I HN 0.090 nan 8.210 nan 0.000 0.423 399 Y N 0.228 120.569 120.300 0.068 0.000 2.467 399 Y HA 0.373 4.924 4.550 0.001 0.000 0.250 399 Y C 1.774 177.684 175.900 0.018 0.000 1.155 399 Y CA 0.225 58.345 58.100 0.034 0.000 1.249 399 Y CB 0.431 38.892 38.460 0.002 0.000 1.146 399 Y HN 0.236 nan 8.280 nan 0.000 0.524 400 G N 0.479 109.366 108.800 0.144 0.000 2.245 400 G HA2 -0.338 3.623 3.960 0.001 0.000 0.264 400 G HA3 -0.338 3.623 3.960 0.001 0.000 0.264 400 G C 0.322 175.275 174.900 0.088 0.000 0.985 400 G CA 0.253 45.410 45.100 0.095 0.000 0.625 400 G HN 0.265 nan 8.290 nan 0.000 0.536 401 M N 1.647 121.309 119.600 0.102 0.000 2.200 401 M HA 0.427 4.908 4.480 0.001 0.000 0.355 401 M C -0.214 176.129 176.300 0.071 0.000 1.283 401 M CA -0.053 55.269 55.300 0.036 0.000 1.124 401 M CB 0.380 32.934 32.600 -0.077 0.000 1.625 401 M HN 0.090 nan 8.290 nan 0.000 0.463 402 D N 1.625 122.054 120.400 0.049 0.000 2.348 402 D HA 0.479 5.120 4.640 0.001 0.000 0.249 402 D C -0.669 175.666 176.300 0.057 0.000 1.110 402 D CA -0.296 53.745 54.000 0.069 0.000 0.967 402 D CB 1.229 42.060 40.800 0.052 0.000 1.139 402 D HN 0.249 nan 8.370 nan 0.000 0.466 403 V N 1.153 121.117 119.914 0.084 0.000 2.417 403 V HA 0.391 4.512 4.120 0.001 0.000 0.291 403 V C -0.293 175.841 176.094 0.066 0.000 1.024 403 V CA -0.753 61.591 62.300 0.074 0.000 0.861 403 V CB 1.682 33.586 31.823 0.135 0.000 0.985 403 V HN 0.257 nan 8.190 nan 0.000 0.436 404 V N 5.381 125.331 119.914 0.059 0.000 2.417 404 V HA 0.356 4.476 4.120 0.001 0.000 0.291 404 V C -0.046 176.085 176.094 0.062 0.000 1.024 404 V CA -0.674 61.676 62.300 0.083 0.000 0.861 404 V CB 1.964 33.876 31.823 0.148 0.000 0.985 404 V HN 0.617 nan 8.190 nan 0.000 0.436 405 V N 6.291 126.241 119.914 0.061 0.000 2.338 405 V HA 0.177 4.297 4.120 0.001 0.000 0.255 405 V C 0.247 176.368 176.094 0.045 0.000 1.082 405 V CA -0.333 61.995 62.300 0.047 0.000 0.951 405 V CB 0.940 32.790 31.823 0.045 0.000 1.102 405 V HN 0.643 nan 8.190 nan 0.000 0.489 406 V N 7.314 127.247 119.914 0.031 0.000 2.614 406 V HA 0.221 4.341 4.120 0.001 0.000 0.291 406 V C -1.807 174.297 176.094 0.017 0.000 1.049 406 V CA -1.603 60.707 62.300 0.017 0.000 1.038 406 V CB 0.683 32.502 31.823 -0.006 0.000 0.980 406 V HN 0.674 nan 8.190 nan 0.000 0.481 407 P HA 0.151 nan 4.420 nan 0.000 0.267 407 P C 0.117 177.433 177.300 0.027 0.000 1.200 407 P CA 0.098 63.214 63.100 0.027 0.000 0.772 407 P CB 0.237 31.959 31.700 0.036 0.000 0.855 408 T N 0.802 115.373 114.554 0.028 0.000 2.828 408 T HA 0.078 4.429 4.350 0.001 0.000 0.290 408 T C 1.323 176.030 174.700 0.011 0.000 1.019 408 T CA -0.360 61.752 62.100 0.019 0.000 1.031 408 T CB 0.493 69.369 68.868 0.013 0.000 1.001 408 T HN 0.407 nan 8.240 nan 0.000 0.531 409 N N 0.051 118.738 118.700 -0.021 0.000 2.148 409 N HA -0.021 4.720 4.740 0.001 0.000 0.186 409 N C 0.118 175.583 175.510 -0.074 0.000 1.031 409 N CA 0.533 53.535 53.050 -0.081 0.000 0.848 409 N CB 0.266 38.605 38.487 -0.248 0.000 1.005 409 N HN 0.313 nan 8.380 nan 0.000 0.427 410 R N 1.397 121.855 120.500 -0.071 0.000 2.437 410 R HA 0.382 4.723 4.340 0.001 0.000 0.310 410 R C -2.652 173.638 176.300 -0.017 0.000 0.955 410 R CA -1.850 54.222 56.100 -0.048 0.000 0.851 410 R CB 1.364 31.628 30.300 -0.061 0.000 1.161 410 R HN 0.094 nan 8.270 nan 0.000 0.446 411 P HA -0.108 nan 4.420 nan 0.000 0.261 411 P C -0.141 177.165 177.300 0.009 0.000 1.165 411 P CA 0.224 63.328 63.100 0.006 0.000 0.759 411 P CB 0.353 32.057 31.700 0.007 0.000 0.772 412 V N 5.199 125.122 119.914 0.015 0.000 2.655 412 V HA 0.016 4.136 4.120 0.001 0.000 0.300 412 V C 1.564 177.673 176.094 0.026 0.000 1.044 412 V CA 0.859 63.172 62.300 0.021 0.000 1.095 412 V CB 0.404 32.241 31.823 0.024 0.000 0.952 412 V HN 0.522 nan 8.190 nan 0.000 0.485 413 I N 2.053 122.645 120.570 0.035 0.000 4.526 413 I HA 0.203 4.374 4.170 0.001 0.000 0.330 413 I C 1.266 177.424 176.117 0.067 0.000 1.323 413 I CA -0.206 61.120 61.300 0.044 0.000 1.218 413 I CB 0.273 38.297 38.000 0.039 0.000 1.233 413 I HN 0.547 nan 8.210 nan 0.000 0.430 414 R N 3.452 123.995 120.500 0.071 0.000 2.619 414 R HA -0.029 4.312 4.340 0.001 0.000 0.268 414 R C -0.376 176.002 176.300 0.131 0.000 0.990 414 R CA 0.724 56.884 56.100 0.100 0.000 1.092 414 R CB 0.449 30.797 30.300 0.078 0.000 0.935 414 R HN 0.080 nan 8.270 nan 0.000 0.415 415 K N 3.877 124.406 120.400 0.215 0.000 2.357 415 K HA 0.136 4.457 4.320 0.001 0.000 0.251 415 K C -1.269 175.596 176.600 0.441 0.000 1.069 415 K CA -0.622 55.843 56.287 0.296 0.000 0.994 415 K CB 1.095 33.850 32.500 0.426 0.000 1.411 415 K HN 0.492 nan 8.250 nan 0.000 0.450 416 D N 2.992 123.554 120.400 0.269 0.000 2.352 416 D HA 0.109 4.750 4.640 0.001 0.000 0.245 416 D C 0.068 176.562 176.300 0.322 0.000 1.224 416 D CA 0.106 54.268 54.000 0.271 0.000 0.879 416 D CB 0.248 41.125 40.800 0.128 0.000 1.057 416 D HN 0.124 nan 8.370 nan 0.000 0.491 417 F N 2.046 122.051 119.950 0.092 0.000 2.375 417 F HA 0.307 4.835 4.527 0.001 0.000 0.313 417 F C -1.077 174.750 175.800 0.046 0.000 1.176 417 F CA -2.031 56.018 58.000 0.081 0.000 1.142 417 F CB -0.430 38.647 39.000 0.128 0.000 1.275 417 F HN 0.174 nan 8.300 nan 0.000 0.544 418 P HA 0.118 nan 4.420 nan 0.000 0.317 418 P C -1.026 176.326 177.300 0.087 0.000 1.316 418 P CA -0.119 63.034 63.100 0.088 0.000 0.744 418 P CB 0.418 32.143 31.700 0.041 0.000 1.521 419 D N -1.733 118.683 120.400 0.026 0.000 2.442 419 D HA 0.509 5.149 4.640 0.001 0.000 0.254 419 D C -1.025 175.230 176.300 -0.074 0.000 1.069 419 D CA -0.155 53.842 54.000 -0.005 0.000 1.017 419 D CB 0.836 41.640 40.800 0.008 0.000 1.172 419 D HN -0.147 nan 8.370 nan 0.000 0.561 420 V N 0.919 120.736 119.914 -0.161 0.000 2.569 420 V HA 0.357 4.478 4.120 0.001 0.000 0.301 420 V C -0.429 175.607 176.094 -0.096 0.000 1.044 420 V CA -0.790 61.401 62.300 -0.180 0.000 0.874 420 V CB 1.849 33.490 31.823 -0.303 0.000 1.002 420 V HN 0.258 nan 8.190 nan 0.000 0.424 421 V N 5.063 124.890 119.914 -0.144 0.000 2.547 421 V HA 0.602 4.723 4.120 0.001 0.000 0.299 421 V C -1.030 174.901 176.094 -0.271 0.000 1.040 421 V CA -0.682 61.531 62.300 -0.145 0.000 0.913 421 V CB 1.721 33.437 31.823 -0.179 0.000 0.992 421 V HN 0.757 nan 8.190 nan 0.000 0.449 422 Y N 2.019 122.140 120.300 -0.298 0.000 2.512 422 Y HA 0.475 5.026 4.550 0.001 0.000 0.348 422 Y C 1.049 176.612 175.900 -0.562 0.000 0.990 422 Y CA -0.790 57.136 58.100 -0.289 0.000 1.033 422 Y CB 2.061 40.448 38.460 -0.123 0.000 1.259 422 Y HN 0.421 nan 8.280 nan 0.000 0.461 423 R N 0.259 120.566 120.500 -0.322 0.000 2.066 423 R HA -0.080 4.260 4.340 0.001 0.000 0.232 423 R C 0.478 176.671 176.300 -0.177 0.000 1.131 423 R CA 1.503 57.328 56.100 -0.458 0.000 0.955 423 R CB -0.088 30.206 30.300 -0.011 0.000 0.851 423 R HN 0.691 nan 8.270 nan 0.000 0.432 424 T N -0.607 113.939 114.554 -0.013 0.000 2.875 424 T HA 0.065 4.416 4.350 0.001 0.000 0.284 424 T C 0.907 175.605 174.700 -0.004 0.000 0.995 424 T CA -0.459 61.654 62.100 0.022 0.000 1.060 424 T CB 1.814 70.713 68.868 0.052 0.000 0.967 424 T HN 0.292 nan 8.240 nan 0.000 0.476 425 E N 2.761 122.973 120.200 0.020 0.000 2.110 425 E HA -0.143 4.208 4.350 0.001 0.000 0.193 425 E C 1.852 178.497 176.600 0.075 0.000 0.988 425 E CA 1.134 57.562 56.400 0.047 0.000 0.804 425 E CB 0.041 29.809 29.700 0.114 0.000 0.745 425 E HN 0.727 nan 8.360 nan 0.000 0.458 426 K N -0.463 119.935 120.400 -0.003 0.000 2.032 426 K HA -0.131 4.189 4.320 0.001 0.000 0.209 426 K C 2.059 178.512 176.600 -0.244 0.000 1.048 426 K CA 1.452 57.646 56.287 -0.155 0.000 0.927 426 K CB -0.338 32.068 32.500 -0.156 0.000 0.712 426 K HN 0.234 nan 8.250 nan 0.000 0.441 427 G N 0.923 109.673 108.800 -0.082 0.000 2.422 427 G HA2 -0.268 3.693 3.960 0.001 0.000 0.218 427 G HA3 -0.268 3.693 3.960 0.001 0.000 0.218 427 G C 1.363 176.017 174.900 -0.411 0.000 1.140 427 G CA 0.749 45.821 45.100 -0.047 0.000 0.775 427 G HN 0.278 nan 8.290 nan 0.000 0.545 428 K N -0.414 119.733 120.400 -0.422 0.000 2.026 428 K HA -0.059 4.262 4.320 0.001 0.000 0.208 428 K C 2.142 178.414 176.600 -0.546 0.000 1.048 428 K CA 1.112 57.032 56.287 -0.611 0.000 0.929 428 K CB -0.316 31.984 32.500 -0.333 0.000 0.713 428 K HN 0.316 nan 8.250 nan 0.000 0.439 429 F N 0.157 119.877 119.950 -0.383 0.000 2.102 429 F HA -0.193 4.334 4.527 0.001 0.000 0.298 429 F C 2.129 177.771 175.800 -0.262 0.000 1.105 429 F CA 1.484 59.271 58.000 -0.354 0.000 1.239 429 F CB -0.582 38.210 39.000 -0.346 0.000 0.991 429 F HN 0.093 nan 8.300 nan 0.000 0.474 430 Y N -0.240 120.038 120.300 -0.037 0.000 2.102 430 Y HA -0.392 4.159 4.550 0.001 0.000 0.280 430 Y C 2.592 178.464 175.900 -0.047 0.000 1.178 430 Y CA 0.671 58.749 58.100 -0.037 0.000 1.146 430 Y CB -0.717 37.679 38.460 -0.107 0.000 0.968 430 Y HN 0.093 nan 8.280 nan 0.000 0.504 431 A N -0.240 122.546 122.820 -0.057 0.000 1.883 431 A HA -0.213 4.108 4.320 0.001 0.000 0.217 431 A C 2.343 179.862 177.584 -0.109 0.000 1.186 431 A CA 2.139 54.133 52.037 -0.071 0.000 0.624 431 A CB -1.287 17.525 19.000 -0.314 0.000 0.822 431 A HN 0.262 nan 8.150 nan 0.000 0.444 432 V N -0.199 119.481 119.914 -0.389 0.000 2.255 432 V HA -0.282 3.838 4.120 0.001 0.000 0.247 432 V C 2.592 178.566 176.094 -0.201 0.000 1.051 432 V CA 2.112 64.090 62.300 -0.537 0.000 1.018 432 V CB -1.055 30.364 31.823 -0.673 0.000 0.641 432 V HN 0.393 nan 8.190 nan 0.000 0.445 433 V N 0.029 119.901 119.914 -0.070 0.000 2.250 433 V HA -0.364 3.756 4.120 0.001 0.000 0.250 433 V C 2.434 178.498 176.094 -0.051 0.000 1.060 433 V CA 2.452 64.736 62.300 -0.027 0.000 1.030 433 V CB -0.908 30.975 31.823 0.100 0.000 0.643 433 V HN 0.639 nan 8.190 nan 0.000 0.445 434 E N -0.442 119.766 120.200 0.014 0.000 2.147 434 E HA -0.272 4.078 4.350 0.001 0.000 0.199 434 E C 2.294 178.885 176.600 -0.016 0.000 1.005 434 E CA 1.521 57.919 56.400 -0.004 0.000 0.810 434 E CB -0.181 29.582 29.700 0.105 0.000 0.736 434 E HN 0.669 nan 8.360 nan 0.000 0.460 435 E N 0.423 120.623 120.200 0.000 0.000 2.072 435 E HA -0.123 4.228 4.350 0.001 0.000 0.190 435 E C 2.266 178.855 176.600 -0.019 0.000 0.982 435 E CA 0.481 56.887 56.400 0.010 0.000 0.803 435 E CB -0.043 29.697 29.700 0.067 0.000 0.755 435 E HN 0.294 nan 8.360 nan 0.000 0.453 436 I N 1.257 121.804 120.570 -0.038 0.000 2.099 436 I HA -0.318 3.853 4.170 0.001 0.000 0.239 436 I C 2.636 178.738 176.117 -0.026 0.000 1.066 436 I CA 1.195 62.471 61.300 -0.040 0.000 1.324 436 I CB -0.410 37.531 38.000 -0.098 0.000 1.037 436 I HN 0.045 nan 8.210 nan 0.000 0.401 437 A N 0.180 122.958 122.820 -0.071 0.000 1.903 437 A HA -0.333 3.987 4.320 0.001 0.000 0.219 437 A C 2.299 179.886 177.584 0.005 0.000 1.191 437 A CA 2.324 54.325 52.037 -0.061 0.000 0.638 437 A CB -0.868 18.028 19.000 -0.173 0.000 0.823 437 A HN 0.568 nan 8.150 nan 0.000 0.451 438 E N -0.338 119.846 120.200 -0.027 0.000 2.038 438 E HA -0.260 4.091 4.350 0.001 0.000 0.195 438 E C 1.832 178.421 176.600 -0.018 0.000 1.000 438 E CA 1.554 57.943 56.400 -0.018 0.000 0.803 438 E CB -0.129 29.549 29.700 -0.035 0.000 0.750 438 E HN 0.430 nan 8.360 nan 0.000 0.448 439 K N -0.026 120.358 120.400 -0.028 0.000 2.152 439 K HA -0.189 4.131 4.320 0.001 0.000 0.206 439 K C 2.074 178.690 176.600 0.027 0.000 1.048 439 K CA 1.114 57.381 56.287 -0.033 0.000 0.933 439 K CB -0.683 31.798 32.500 -0.031 0.000 0.721 439 K HN 0.336 nan 8.250 nan 0.000 0.447 440 Y N 2.208 122.470 120.300 -0.065 0.000 2.092 440 Y HA -0.205 4.345 4.550 0.001 0.000 0.282 440 Y C 2.526 178.396 175.900 -0.050 0.000 1.126 440 Y CA 1.965 60.032 58.100 -0.055 0.000 1.111 440 Y CB -0.457 37.963 38.460 -0.067 0.000 0.987 440 Y HN 0.197 nan 8.280 nan 0.000 0.489 441 E N 0.010 120.184 120.200 -0.044 0.000 2.147 441 E HA -0.328 4.022 4.350 0.001 0.000 0.199 441 E C 2.469 178.984 176.600 -0.141 0.000 1.005 441 E CA 1.718 58.046 56.400 -0.120 0.000 0.810 441 E CB -0.273 29.428 29.700 0.003 0.000 0.736 441 E HN 0.439 nan 8.360 nan 0.000 0.460 442 R N -1.272 119.170 120.500 -0.098 0.000 2.153 442 R HA -0.048 4.292 4.340 0.001 0.000 0.218 442 R C 1.197 177.430 176.300 -0.112 0.000 1.072 442 R CA 1.034 57.082 56.100 -0.087 0.000 0.990 442 R CB 0.168 30.426 30.300 -0.070 0.000 0.889 442 R HN 0.367 nan 8.270 nan 0.000 0.452 443 G N 0.468 109.180 108.800 -0.146 0.000 2.163 443 G HA2 -0.289 3.672 3.960 0.001 0.000 0.213 443 G HA3 -0.289 3.672 3.960 0.001 0.000 0.213 443 G C -0.207 174.650 174.900 -0.072 0.000 0.991 443 G CA 0.169 45.183 45.100 -0.144 0.000 0.653 443 G HN 0.469 nan 8.290 nan 0.000 0.518 444 Q N 1.502 121.273 119.800 -0.049 0.000 2.261 444 Q HA 0.531 4.871 4.340 0.001 0.000 0.252 444 Q C -1.911 174.104 176.000 0.024 0.000 0.915 444 Q CA -1.948 53.846 55.803 -0.015 0.000 0.915 444 Q CB 1.655 30.371 28.738 -0.037 0.000 1.204 444 Q HN 0.293 nan 8.270 nan 0.000 0.421 445 P HA 0.032 nan 4.420 nan 0.000 0.272 445 P C -1.055 176.303 177.300 0.097 0.000 1.240 445 P CA -0.152 62.987 63.100 0.065 0.000 0.791 445 P CB 0.989 32.720 31.700 0.051 0.000 0.978 446 V N 1.731 121.699 119.914 0.089 0.000 2.888 446 V HA 0.380 4.501 4.120 0.001 0.000 0.309 446 V C -0.517 175.602 176.094 0.041 0.000 1.114 446 V CA -0.670 61.690 62.300 0.101 0.000 0.940 446 V CB 2.023 33.907 31.823 0.102 0.000 1.021 446 V HN 0.452 nan 8.190 nan 0.000 0.426 447 L N 5.153 126.384 121.223 0.013 0.000 2.457 447 L HA 0.718 5.058 4.340 0.001 0.000 0.266 447 L C -0.798 176.035 176.870 -0.061 0.000 0.979 447 L CA -0.116 54.710 54.840 -0.024 0.000 0.857 447 L CB 1.663 43.708 42.059 -0.025 0.000 1.213 447 L HN 0.451 nan 8.230 nan 0.000 0.418 448 V N 3.423 123.298 119.914 -0.065 0.000 2.509 448 V HA 0.811 4.932 4.120 0.001 0.000 0.284 448 V C 0.878 176.922 176.094 -0.083 0.000 1.047 448 V CA -0.100 62.142 62.300 -0.097 0.000 0.952 448 V CB 1.209 32.971 31.823 -0.101 0.000 0.988 448 V HN 0.889 nan 8.190 nan 0.000 0.469 449 G N 2.073 110.806 108.800 -0.111 0.000 2.478 449 G HA2 0.625 4.585 3.960 0.001 0.000 0.317 449 G HA3 0.625 4.585 3.960 0.001 0.000 0.317 449 G C -0.187 174.678 174.900 -0.057 0.000 1.259 449 G CA 0.021 45.089 45.100 -0.053 0.000 0.933 449 G HN 0.886 nan 8.290 nan 0.000 0.478 450 T N -0.391 114.161 114.554 -0.003 0.000 2.844 450 T HA 0.599 4.950 4.350 0.001 0.000 0.274 450 T C 0.685 175.403 174.700 0.030 0.000 0.991 450 T CA -0.713 61.388 62.100 0.002 0.000 0.983 450 T CB 1.612 70.504 68.868 0.039 0.000 1.310 450 T HN 0.215 nan 8.240 nan 0.000 0.596 451 I N 0.418 121.004 120.570 0.026 0.000 4.439 451 I HA 0.265 4.436 4.170 0.001 0.000 0.331 451 I C 0.420 176.568 176.117 0.052 0.000 1.345 451 I CA -0.092 61.235 61.300 0.045 0.000 1.193 451 I CB 0.726 38.723 38.000 -0.005 0.000 1.221 451 I HN 0.880 nan 8.210 nan 0.000 0.429 452 S N -1.227 114.498 115.700 0.042 0.000 2.720 452 S HA 0.501 4.971 4.470 0.001 0.000 0.287 452 S C 0.430 175.040 174.600 0.015 0.000 1.168 452 S CA -0.685 57.533 58.200 0.030 0.000 0.832 452 S CB 1.349 64.565 63.200 0.026 0.000 1.166 452 S HN 0.043 nan 8.310 nan 0.000 0.493 453 I N 0.649 121.220 120.570 0.003 0.000 2.867 453 I HA 0.108 4.279 4.170 0.001 0.000 0.265 453 I C 2.649 178.752 176.117 -0.023 0.000 1.162 453 I CA 0.537 61.831 61.300 -0.009 0.000 1.471 453 I CB -0.180 37.813 38.000 -0.013 0.000 1.123 453 I HN 0.859 nan 8.210 nan 0.000 0.440 454 E N 1.876 122.059 120.200 -0.029 0.000 2.110 454 E HA -0.241 4.109 4.350 0.001 0.000 0.193 454 E C 1.990 178.540 176.600 -0.083 0.000 0.988 454 E CA 1.322 57.690 56.400 -0.053 0.000 0.804 454 E CB 0.203 29.872 29.700 -0.052 0.000 0.745 454 E HN 0.399 nan 8.360 nan 0.000 0.458 455 K N -0.030 120.336 120.400 -0.058 0.000 2.057 455 K HA -0.040 4.281 4.320 0.001 0.000 0.206 455 K C 2.373 178.937 176.600 -0.060 0.000 1.050 455 K CA 1.229 57.471 56.287 -0.075 0.000 0.935 455 K CB -0.069 32.474 32.500 0.072 0.000 0.715 455 K HN -0.065 nan 8.250 nan 0.000 0.439 456 S N 0.934 116.624 115.700 -0.016 0.000 2.383 456 S HA -0.175 4.296 4.470 0.001 0.000 0.229 456 S C 1.821 176.403 174.600 -0.030 0.000 1.030 456 S CA 1.498 59.693 58.200 -0.010 0.000 1.002 456 S CB -0.135 63.063 63.200 -0.003 0.000 0.829 456 S HN 0.250 nan 8.310 nan 0.000 0.467 457 E N 0.831 121.003 120.200 -0.046 0.000 2.076 457 E HA 0.037 4.388 4.350 0.001 0.000 0.190 457 E C 2.092 178.644 176.600 -0.080 0.000 0.979 457 E CA 0.549 56.923 56.400 -0.044 0.000 0.807 457 E CB -0.123 29.550 29.700 -0.044 0.000 0.761 457 E HN 0.371 nan 8.360 nan 0.000 0.454 458 R N 0.289 120.700 120.500 -0.148 0.000 2.105 458 R HA -0.119 4.222 4.340 0.001 0.000 0.239 458 R C 2.240 178.401 176.300 -0.232 0.000 1.135 458 R CA 1.097 57.064 56.100 -0.222 0.000 0.967 458 R CB -0.371 29.713 30.300 -0.360 0.000 0.861 458 R HN 0.263 nan 8.270 nan 0.000 0.442 459 L N 0.200 121.295 121.223 -0.213 0.000 1.976 459 L HA -0.212 4.128 4.340 0.001 0.000 0.209 459 L C 2.539 179.351 176.870 -0.098 0.000 1.071 459 L CA 1.994 56.751 54.840 -0.139 0.000 0.746 459 L CB -0.615 41.418 42.059 -0.043 0.000 0.890 459 L HN 0.371 nan 8.230 nan 0.000 0.432 460 S N -0.692 114.982 115.700 -0.043 0.000 2.378 460 S HA -0.339 4.132 4.470 0.001 0.000 0.229 460 S C 1.911 176.635 174.600 0.207 0.000 1.052 460 S CA 2.041 60.311 58.200 0.117 0.000 1.084 460 S CB -0.373 62.977 63.200 0.249 0.000 0.950 460 S HN 0.509 nan 8.310 nan 0.000 0.440 461 Q N -0.230 119.605 119.800 0.059 0.000 2.096 461 Q HA -0.122 4.219 4.340 0.001 0.000 0.204 461 Q C 2.390 178.403 176.000 0.022 0.000 0.982 461 Q CA 1.686 57.505 55.803 0.027 0.000 0.850 461 Q CB -0.294 28.427 28.738 -0.029 0.000 0.901 461 Q HN 0.652 nan 8.270 nan 0.000 0.422 462 M N 0.088 119.681 119.600 -0.012 0.000 2.149 462 M HA -0.180 4.300 4.480 0.001 0.000 0.261 462 M C 2.054 178.368 176.300 0.022 0.000 1.064 462 M CA 1.273 56.579 55.300 0.009 0.000 1.102 462 M CB -0.092 32.504 32.600 -0.006 0.000 1.369 462 M HN 0.202 nan 8.290 nan 0.000 0.408 463 L N -0.036 121.181 121.223 -0.010 0.000 2.240 463 L HA -0.159 4.182 4.340 0.001 0.000 0.211 463 L C 2.427 179.347 176.870 0.083 0.000 1.106 463 L CA 0.942 55.755 54.840 -0.045 0.000 0.793 463 L CB -0.515 41.359 42.059 -0.308 0.000 0.927 463 L HN 0.374 nan 8.230 nan 0.000 0.446 464 K N -0.175 120.320 120.400 0.158 0.000 2.314 464 K HA -0.068 4.252 4.320 0.001 0.000 0.198 464 K C 1.324 177.931 176.600 0.012 0.000 1.045 464 K CA 0.829 57.164 56.287 0.079 0.000 0.988 464 K CB 0.163 32.653 32.500 -0.016 0.000 0.783 464 K HN 0.171 nan 8.250 nan 0.000 0.484 465 E N 0.156 120.365 120.200 0.014 0.000 2.538 465 E HA 0.106 4.456 4.350 0.001 0.000 0.207 465 E C -1.855 174.751 176.600 0.010 0.000 1.002 465 E CA -1.442 54.960 56.400 0.003 0.000 0.952 465 E CB 0.627 30.326 29.700 -0.001 0.000 1.031 465 E HN 0.026 nan 8.360 nan 0.000 0.476 466 P HA -0.325 nan 4.420 nan 0.000 0.149 466 P C 0.604 177.937 177.300 0.055 0.000 0.839 466 P CA 1.291 64.410 63.100 0.031 0.000 0.551 466 P CB -0.230 31.470 31.700 -0.000 0.000 0.392 467 R N -1.255 119.267 120.500 0.036 0.000 2.280 467 R HA 0.127 4.468 4.340 0.001 0.000 0.207 467 R C 2.102 178.427 176.300 0.041 0.000 1.043 467 R CA 0.761 56.878 56.100 0.030 0.000 1.006 467 R CB -0.633 29.674 30.300 0.013 0.000 0.885 467 R HN 0.382 nan 8.270 nan 0.000 0.467 468 L N -1.265 119.998 121.223 0.066 0.000 2.375 468 L HA -0.015 4.326 4.340 0.001 0.000 0.215 468 L C 1.763 178.717 176.870 0.139 0.000 1.108 468 L CA 0.498 55.393 54.840 0.092 0.000 0.830 468 L CB -0.288 41.820 42.059 0.081 0.000 0.959 468 L HN 0.058 nan 8.230 nan 0.000 0.457 469 Y N 0.351 120.660 120.300 0.016 0.000 2.529 469 Y HA 0.021 4.572 4.550 0.001 0.000 0.290 469 Y C 2.112 177.946 175.900 -0.111 0.000 1.177 469 Y CA 0.387 58.468 58.100 -0.032 0.000 1.305 469 Y CB 0.098 38.529 38.460 -0.048 0.000 1.047 469 Y HN 0.056 nan 8.280 nan 0.000 0.522 470 L N 0.493 121.673 121.223 -0.072 0.000 2.079 470 L HA -0.180 4.161 4.340 0.001 0.000 0.210 470 L C -0.638 176.095 176.870 -0.227 0.000 1.081 470 L CA 1.193 55.966 54.840 -0.112 0.000 0.752 470 L CB -1.366 40.668 42.059 -0.042 0.000 0.896 470 L HN 0.206 nan 8.230 nan 0.000 0.433 471 P HA -0.125 nan 4.420 nan 0.000 0.217 471 P C 1.516 178.518 177.300 -0.497 0.000 1.150 471 P CA 0.930 63.850 63.100 -0.301 0.000 0.832 471 P CB -0.006 31.589 31.700 -0.174 0.000 0.787 472 R N -0.318 119.642 120.500 -0.900 0.000 2.075 472 R HA -0.104 4.237 4.340 0.001 0.000 0.230 472 R C 2.236 178.233 176.300 -0.504 0.000 1.140 472 R CA 1.257 56.802 56.100 -0.925 0.000 0.928 472 R CB -1.582 27.788 30.300 -1.549 0.000 0.834 472 R HN 0.221 nan 8.270 nan 0.000 0.429 473 L N 1.190 122.141 121.223 -0.454 0.000 1.991 473 L HA -0.282 4.059 4.340 0.001 0.000 0.221 473 L C 2.451 179.235 176.870 -0.144 0.000 1.079 473 L CA 2.085 56.822 54.840 -0.171 0.000 0.778 473 L CB -0.491 41.524 42.059 -0.072 0.000 0.893 473 L HN 0.362 nan 8.230 nan 0.000 0.437 474 E N -0.402 119.706 120.200 -0.152 0.000 2.058 474 E HA -0.298 4.053 4.350 0.001 0.000 0.194 474 E C 2.270 178.823 176.600 -0.079 0.000 0.997 474 E CA 1.824 58.166 56.400 -0.096 0.000 0.801 474 E CB -0.158 29.489 29.700 -0.089 0.000 0.746 474 E HN 0.555 nan 8.360 nan 0.000 0.450 475 M N -0.098 119.429 119.600 -0.121 0.000 2.159 475 M HA -0.119 4.361 4.480 0.001 0.000 0.263 475 M C 2.006 178.286 176.300 -0.033 0.000 1.063 475 M CA 1.059 56.313 55.300 -0.076 0.000 1.110 475 M CB 0.085 32.619 32.600 -0.110 0.000 1.374 475 M HN -0.057 nan 8.290 nan 0.000 0.411 476 R N -0.010 120.458 120.500 -0.053 0.000 2.236 476 R HA 0.082 4.422 4.340 0.001 0.000 0.208 476 R C 1.828 178.161 176.300 0.054 0.000 1.036 476 R CA 0.710 56.813 56.100 0.006 0.000 1.001 476 R CB -0.965 29.324 30.300 -0.018 0.000 0.896 476 R HN 0.409 nan 8.270 nan 0.000 0.464 477 L N 0.355 121.589 121.223 0.019 0.000 2.127 477 L HA 0.028 4.369 4.340 0.001 0.000 0.203 477 L C 2.179 179.130 176.870 0.135 0.000 1.080 477 L CA 1.063 55.933 54.840 0.049 0.000 0.768 477 L CB -0.043 42.008 42.059 -0.013 0.000 0.924 477 L HN 0.048 nan 8.230 nan 0.000 0.444 478 E N -0.064 120.186 120.200 0.083 0.000 2.427 478 E HA -0.113 4.237 4.350 0.001 0.000 0.196 478 E C 2.077 178.737 176.600 0.100 0.000 1.028 478 E CA 0.564 57.016 56.400 0.087 0.000 0.864 478 E CB 0.214 29.940 29.700 0.043 0.000 0.813 478 E HN 0.523 nan 8.360 nan 0.000 0.514 479 L N -0.478 120.814 121.223 0.115 0.000 2.127 479 L HA -0.061 4.280 4.340 0.001 0.000 0.203 479 L C 2.399 179.352 176.870 0.138 0.000 1.080 479 L CA 0.638 55.540 54.840 0.103 0.000 0.768 479 L CB -0.505 41.611 42.059 0.095 0.000 0.924 479 L HN 0.119 nan 8.230 nan 0.000 0.444 480 F N 1.171 121.160 119.950 0.065 0.000 2.134 480 F HA -0.236 4.292 4.527 0.001 0.000 0.299 480 F C 2.513 178.371 175.800 0.097 0.000 1.097 480 F CA 1.617 59.685 58.000 0.113 0.000 1.264 480 F CB -0.060 39.031 39.000 0.151 0.000 1.001 480 F HN -0.145 nan 8.300 nan 0.000 0.479 481 K N 0.978 121.549 120.400 0.284 0.000 1.987 481 K HA -0.265 4.056 4.320 0.001 0.000 0.216 481 K C 2.241 178.818 176.600 -0.038 0.000 1.051 481 K CA 2.430 58.807 56.287 0.150 0.000 0.942 481 K CB -0.311 32.284 32.500 0.158 0.000 0.722 481 K HN 0.388 nan 8.250 nan 0.000 0.444 482 K N -0.020 120.367 120.400 -0.021 0.000 2.089 482 K HA -0.181 4.140 4.320 0.001 0.000 0.210 482 K C 1.989 178.524 176.600 -0.107 0.000 1.048 482 K CA 1.813 58.068 56.287 -0.052 0.000 0.926 482 K CB -0.347 32.139 32.500 -0.023 0.000 0.714 482 K HN 0.119 nan 8.250 nan 0.000 0.448 483 A N 1.007 123.742 122.820 -0.142 0.000 2.072 483 A HA 0.039 4.360 4.320 0.001 0.000 0.216 483 A C 2.137 179.551 177.584 -0.283 0.000 1.156 483 A CA 1.107 53.038 52.037 -0.175 0.000 0.701 483 A CB -0.236 18.675 19.000 -0.149 0.000 0.816 483 A HN 0.339 nan 8.150 nan 0.000 0.458 484 S N -0.192 115.273 115.700 -0.392 0.000 2.345 484 S HA -0.103 4.367 4.470 0.001 0.000 0.219 484 S C 1.735 175.962 174.600 -0.620 0.000 1.031 484 S CA 0.840 58.696 58.200 -0.572 0.000 0.984 484 S CB -0.235 62.588 63.200 -0.630 0.000 0.874 484 S HN 0.522 nan 8.310 nan 0.000 0.451 485 Q N 1.160 120.729 119.800 -0.385 0.000 2.594 485 Q HA 0.037 4.378 4.340 0.001 0.000 0.219 485 Q C 1.545 177.344 176.000 -0.335 0.000 0.980 485 Q CA 0.341 55.931 55.803 -0.355 0.000 0.962 485 Q CB -0.193 28.441 28.738 -0.173 0.000 0.987 485 Q HN 0.330 nan 8.270 nan 0.000 0.553 486 K N 0.706 120.891 120.400 -0.358 0.000 2.432 486 K HA -0.038 4.282 4.320 0.001 0.000 0.196 486 K C -0.188 176.221 176.600 -0.319 0.000 1.038 486 K CA 0.367 56.496 56.287 -0.263 0.000 0.986 486 K CB 0.484 32.858 32.500 -0.211 0.000 0.782 486 K HN 0.321 nan 8.250 nan 0.000 0.485 487 Q N 1.488 120.949 119.800 -0.566 0.000 2.372 487 Q HA 0.102 4.443 4.340 0.001 0.000 0.259 487 Q C 0.476 176.078 176.000 -0.664 0.000 0.993 487 Q CA -0.376 55.010 55.803 -0.695 0.000 0.854 487 Q CB 1.472 29.479 28.738 -1.219 0.000 1.231 487 Q HN 0.245 nan 8.270 nan 0.000 0.462 488 Q N 1.767 121.429 119.800 -0.231 0.000 2.297 488 Q HA 0.104 4.445 4.340 0.001 0.000 0.203 488 Q C 0.863 176.936 176.000 0.121 0.000 0.931 488 Q CA 0.440 56.211 55.803 -0.054 0.000 0.885 488 Q CB -0.127 28.590 28.738 -0.035 0.000 0.991 488 Q HN 0.620 nan 8.270 nan 0.000 0.498 489 G N 2.535 111.466 108.800 0.218 0.000 2.883 489 G HA2 -0.097 3.864 3.960 0.001 0.000 0.309 489 G HA3 -0.097 3.864 3.960 0.001 0.000 0.309 489 G C -1.722 173.310 174.900 0.220 0.000 1.278 489 G CA -0.328 44.906 45.100 0.223 0.000 1.103 489 G HN 0.130 nan 8.290 nan 0.000 0.676 490 P HA -0.010 nan 4.420 nan 0.000 0.215 490 P C 1.740 179.123 177.300 0.138 0.000 1.157 490 P CA 1.533 64.704 63.100 0.119 0.000 0.863 490 P CB 0.109 31.852 31.700 0.071 0.000 0.787 491 E N -1.547 118.712 120.200 0.099 0.000 2.085 491 E HA -0.213 4.138 4.350 0.001 0.000 0.194 491 E C 2.022 178.713 176.600 0.152 0.000 0.994 491 E CA 1.130 57.571 56.400 0.069 0.000 0.801 491 E CB -0.617 29.031 29.700 -0.087 0.000 0.743 491 E HN 0.348 nan 8.360 nan 0.000 0.453 492 W N 1.671 123.060 121.300 0.148 0.000 2.335 492 W HA -0.162 4.499 4.660 0.001 0.000 0.311 492 W C 2.414 178.990 176.519 0.095 0.000 1.213 492 W CA 0.647 58.063 57.345 0.118 0.000 1.274 492 W CB -0.021 29.482 29.460 0.071 0.000 1.148 492 W HN -0.001 nan 8.180 nan 0.000 0.498 493 E N 0.227 120.627 120.200 0.334 0.000 2.209 493 E HA -0.173 4.178 4.350 0.001 0.000 0.196 493 E C 1.987 178.690 176.600 0.171 0.000 0.993 493 E CA 1.128 57.655 56.400 0.212 0.000 0.819 493 E CB -0.348 29.448 29.700 0.160 0.000 0.745 493 E HN 0.464 nan 8.360 nan 0.000 0.477 494 R N 0.309 120.938 120.500 0.216 0.000 2.066 494 R HA -0.112 4.229 4.340 0.001 0.000 0.232 494 R C 2.299 178.658 176.300 0.099 0.000 1.131 494 R CA 1.242 57.492 56.100 0.250 0.000 0.955 494 R CB -0.513 30.064 30.300 0.462 0.000 0.851 494 R HN 0.151 nan 8.270 nan 0.000 0.432 495 L N -1.192 119.927 121.223 -0.175 0.000 2.599 495 L HA 0.256 4.597 4.340 0.001 0.000 0.230 495 L C 1.768 178.545 176.870 -0.154 0.000 1.141 495 L CA 1.097 55.582 54.840 -0.591 0.000 0.877 495 L CB -0.220 41.099 42.059 -1.233 0.000 1.009 495 L HN -0.242 nan 8.230 nan 0.000 0.447 496 R N 0.751 121.265 120.500 0.024 0.000 2.153 496 R HA 0.022 4.363 4.340 0.001 0.000 0.218 496 R C 2.152 178.479 176.300 0.046 0.000 1.072 496 R CA 1.190 57.344 56.100 0.090 0.000 0.990 496 R CB -0.263 30.119 30.300 0.136 0.000 0.889 496 R HN 0.581 nan 8.270 nan 0.000 0.452 497 K N -0.489 119.928 120.400 0.029 0.000 2.308 497 K HA 0.112 4.432 4.320 0.001 0.000 0.197 497 K C 1.616 178.219 176.600 0.004 0.000 1.049 497 K CA 0.238 56.540 56.287 0.026 0.000 0.991 497 K CB 0.227 32.752 32.500 0.041 0.000 0.836 497 K HN 0.137 nan 8.250 nan 0.000 0.500 498 L N 1.131 122.338 121.223 -0.026 0.000 2.201 498 L HA -0.061 4.279 4.340 0.001 0.000 0.212 498 L C 1.680 178.518 176.870 -0.053 0.000 1.105 498 L CA 0.811 55.627 54.840 -0.039 0.000 0.775 498 L CB 0.057 42.062 42.059 -0.091 0.000 0.913 498 L HN 0.209 nan 8.230 nan 0.000 0.440 499 L N -1.123 120.065 121.223 -0.058 0.000 2.611 499 L HA 0.028 4.368 4.340 0.001 0.000 0.229 499 L C 1.532 178.395 176.870 -0.011 0.000 1.137 499 L CA 0.131 54.944 54.840 -0.046 0.000 0.901 499 L CB 0.032 42.066 42.059 -0.041 0.000 1.098 499 L HN 0.193 nan 8.230 nan 0.000 0.456 500 E N 0.659 120.858 120.200 -0.002 0.000 2.463 500 E HA 0.143 4.493 4.350 0.001 0.000 0.193 500 E C -0.071 176.530 176.600 0.002 0.000 1.041 500 E CA -0.017 56.388 56.400 0.008 0.000 0.879 500 E CB 0.568 30.278 29.700 0.016 0.000 0.997 500 E HN 0.351 nan 8.360 nan 0.000 0.478 501 R N -0.295 120.201 120.500 -0.006 0.000 2.538 501 R HA 0.228 4.569 4.340 0.001 0.000 0.292 501 R C -2.264 174.027 176.300 -0.016 0.000 1.008 501 R CA -1.651 54.444 56.100 -0.007 0.000 0.896 501 R CB 1.689 31.988 30.300 -0.002 0.000 1.187 501 R HN -0.139 nan 8.270 nan 0.000 0.440 502 P HA -0.093 nan 4.420 nan 0.000 0.213 502 P C 0.983 178.272 177.300 -0.018 0.000 1.170 502 P CA 1.157 64.244 63.100 -0.021 0.000 0.889 502 P CB 0.290 31.979 31.700 -0.018 0.000 0.782 503 A N -0.119 122.695 122.820 -0.010 0.000 1.898 503 A HA -0.231 4.089 4.320 0.001 0.000 0.216 503 A C 2.202 179.783 177.584 -0.006 0.000 1.181 503 A CA 1.337 53.370 52.037 -0.007 0.000 0.620 503 A CB -1.372 17.626 19.000 -0.003 0.000 0.819 503 A HN 0.128 nan 8.150 nan 0.000 0.442 504 Q N 0.100 119.898 119.800 -0.003 0.000 2.197 504 Q HA -0.186 4.154 4.340 0.001 0.000 0.211 504 Q C 0.527 176.528 176.000 0.001 0.000 0.993 504 Q CA 0.815 56.620 55.803 0.004 0.000 0.883 504 Q CB -0.816 27.927 28.738 0.007 0.000 0.916 504 Q HN 0.679 nan 8.270 nan 0.000 0.418 505 L N 2.157 123.371 121.223 -0.015 0.000 2.652 505 L HA -0.005 4.335 4.340 0.001 0.000 0.284 505 L C 0.917 177.775 176.870 -0.020 0.000 1.204 505 L CA 0.421 55.243 54.840 -0.030 0.000 1.105 505 L CB -0.501 41.525 42.059 -0.056 0.000 1.393 505 L HN 0.044 nan 8.230 nan 0.000 0.452 506 K N 1.093 121.491 120.400 -0.005 0.000 2.502 506 K HA 0.225 4.546 4.320 0.001 0.000 0.256 506 K C 0.466 177.068 176.600 0.003 0.000 1.053 506 K CA -0.880 55.409 56.287 0.004 0.000 1.002 506 K CB 1.186 33.694 32.500 0.013 0.000 1.384 506 K HN 0.300 nan 8.250 nan 0.000 0.537 507 D N 1.040 121.450 120.400 0.016 0.000 2.224 507 D HA -0.111 4.530 4.640 0.001 0.000 0.205 507 D C 1.247 177.561 176.300 0.023 0.000 0.965 507 D CA 0.948 54.952 54.000 0.006 0.000 0.852 507 D CB 0.406 41.209 40.800 0.005 0.000 0.947 507 D HN 0.386 nan 8.370 nan 0.000 0.494 508 E N 1.195 121.415 120.200 0.032 0.000 2.150 508 E HA -0.147 4.204 4.350 0.001 0.000 0.193 508 E C 1.379 178.029 176.600 0.082 0.000 0.985 508 E CA 0.705 57.133 56.400 0.047 0.000 0.814 508 E CB -0.342 29.379 29.700 0.036 0.000 0.752 508 E HN 0.281 nan 8.360 nan 0.000 0.466 509 D N 0.430 120.879 120.400 0.082 0.000 2.178 509 D HA -0.062 4.579 4.640 0.001 0.000 0.202 509 D C 1.777 178.207 176.300 0.218 0.000 0.974 509 D CA 0.596 54.675 54.000 0.131 0.000 0.841 509 D CB -0.015 40.825 40.800 0.067 0.000 0.953 509 D HN 0.093 nan 8.370 nan 0.000 0.478 510 L N -0.078 121.240 121.223 0.158 0.000 2.375 510 L HA 0.192 4.532 4.340 0.001 0.000 0.215 510 L C 2.228 179.335 176.870 0.395 0.000 1.108 510 L CA 0.443 55.448 54.840 0.275 0.000 0.830 510 L CB -0.346 41.712 42.059 -0.002 0.000 0.959 510 L HN -0.082 nan 8.230 nan 0.000 0.457 511 A N 0.732 123.690 122.820 0.231 0.000 1.908 511 A HA -0.120 4.201 4.320 0.001 0.000 0.218 511 A C 0.113 177.785 177.584 0.148 0.000 1.181 511 A CA 1.785 53.929 52.037 0.178 0.000 0.627 511 A CB -1.763 17.291 19.000 0.090 0.000 0.818 511 A HN 0.288 nan 8.150 nan 0.000 0.445 512 P HA -0.075 nan 4.420 nan 0.000 0.218 512 P C 0.577 177.762 177.300 -0.191 0.000 1.149 512 P CA 0.828 63.874 63.100 -0.090 0.000 0.817 512 P CB -0.120 31.444 31.700 -0.226 0.000 0.785 513 F N -0.599 119.322 119.950 -0.048 0.000 2.797 513 F HA 0.088 4.616 4.527 0.001 0.000 0.302 513 F C 1.905 177.503 175.800 -0.337 0.000 1.130 513 F CA 0.274 58.154 58.000 -0.200 0.000 1.387 513 F CB -0.730 38.136 39.000 -0.223 0.000 1.107 513 F HN -0.100 nan 8.300 nan 0.000 0.577 514 E N 0.480 120.667 120.200 -0.021 0.000 2.331 514 E HA -0.151 4.200 4.350 0.001 0.000 0.199 514 E C 2.422 178.909 176.600 -0.189 0.000 1.008 514 E CA 0.920 57.249 56.400 -0.117 0.000 0.843 514 E CB -0.313 29.441 29.700 0.090 0.000 0.761 514 E HN 0.519 nan 8.360 nan 0.000 0.507 515 G N 0.679 109.379 108.800 -0.167 0.000 2.509 515 G HA2 -0.148 3.813 3.960 0.001 0.000 0.218 515 G HA3 -0.148 3.813 3.960 0.001 0.000 0.218 515 G C 1.435 176.217 174.900 -0.197 0.000 1.124 515 G CA 0.089 45.094 45.100 -0.158 0.000 0.776 515 G HN 0.177 nan 8.290 nan 0.000 0.547 516 L N 1.152 122.196 121.223 -0.299 0.000 2.592 516 L HA 0.300 4.641 4.340 0.001 0.000 0.227 516 L C 0.018 176.717 176.870 -0.285 0.000 1.127 516 L CA -0.392 54.244 54.840 -0.340 0.000 0.884 516 L CB -0.075 41.600 42.059 -0.639 0.000 1.065 516 L HN 0.039 nan 8.230 nan 0.000 0.457 517 I N 2.447 122.831 120.570 -0.309 0.000 2.337 517 I HA 0.252 4.423 4.170 0.001 0.000 0.291 517 I C -1.973 174.093 176.117 -0.086 0.000 1.046 517 I CA -2.346 58.806 61.300 -0.247 0.000 1.324 517 I CB -0.080 37.690 38.000 -0.384 0.000 1.409 517 I HN -0.096 nan 8.210 nan 0.000 0.494 518 P HA 0.241 nan 4.420 nan 0.000 0.275 518 P C -2.145 175.171 177.300 0.027 0.000 1.227 518 P CA -1.363 61.745 63.100 0.014 0.000 0.781 518 P CB 0.738 32.460 31.700 0.038 0.000 0.906 519 P HA -0.117 nan 4.420 nan 0.000 0.220 519 P C 0.453 177.780 177.300 0.046 0.000 1.148 519 P CA 1.089 64.211 63.100 0.037 0.000 0.803 519 P CB 0.222 31.938 31.700 0.027 0.000 0.782 520 K N 0.737 121.161 120.400 0.040 0.000 2.524 520 K HA 0.029 4.350 4.320 0.001 0.000 0.279 520 K C 1.894 178.527 176.600 0.054 0.000 0.993 520 K CA 0.755 57.067 56.287 0.041 0.000 1.030 520 K CB -0.276 32.243 32.500 0.033 0.000 0.891 520 K HN 0.041 nan 8.250 nan 0.000 0.488 521 G N 4.321 113.152 108.800 0.051 0.000 2.838 521 G HA2 -0.399 3.561 3.960 0.001 0.000 0.215 521 G HA3 -0.399 3.561 3.960 0.001 0.000 0.215 521 G C 1.156 176.097 174.900 0.070 0.000 1.327 521 G CA 1.311 46.447 45.100 0.061 0.000 0.802 521 G HN 0.871 nan 8.290 nan 0.000 0.658 522 N N 0.471 119.203 118.700 0.053 0.000 2.271 522 N HA -0.284 4.457 4.740 0.001 0.000 0.192 522 N C 2.220 177.767 175.510 0.063 0.000 0.906 522 N CA 2.015 55.094 53.050 0.048 0.000 0.920 522 N CB -0.533 37.969 38.487 0.024 0.000 1.064 522 N HN 0.430 nan 8.380 nan 0.000 0.752 523 L N 0.451 121.716 121.223 0.070 0.000 2.168 523 L HA 0.061 4.402 4.340 0.001 0.000 0.203 523 L C 2.827 179.822 176.870 0.209 0.000 1.078 523 L CA 0.420 55.317 54.840 0.095 0.000 0.780 523 L CB -0.064 42.030 42.059 0.059 0.000 0.939 523 L HN 0.009 nan 8.230 nan 0.000 0.451 524 R N -0.598 120.019 120.500 0.196 0.000 2.159 524 R HA -0.166 4.175 4.340 0.001 0.000 0.237 524 R C 1.955 178.428 176.300 0.288 0.000 1.131 524 R CA 2.067 58.331 56.100 0.273 0.000 0.982 524 R CB -0.385 30.025 30.300 0.184 0.000 0.868 524 R HN 0.309 nan 8.270 nan 0.000 0.453 525 T N -0.480 114.194 114.554 0.201 0.000 2.821 525 T HA -0.080 4.271 4.350 0.001 0.000 0.267 525 T C 1.688 176.506 174.700 0.197 0.000 1.046 525 T CA 1.302 63.502 62.100 0.166 0.000 1.139 525 T CB -0.204 68.734 68.868 0.118 0.000 0.871 525 T HN 0.415 nan 8.240 nan 0.000 0.454 526 A N 0.339 123.305 122.820 0.243 0.000 2.067 526 A HA 0.046 4.366 4.320 0.001 0.000 0.217 526 A C 2.026 179.902 177.584 0.487 0.000 1.156 526 A CA 0.422 52.638 52.037 0.298 0.000 0.683 526 A CB -0.705 18.440 19.000 0.241 0.000 0.808 526 A HN 0.763 nan 8.150 nan 0.000 0.455 527 W N 0.531 122.036 121.300 0.342 0.000 2.523 527 W HA -0.008 4.653 4.660 0.001 0.000 0.278 527 W C 1.281 177.886 176.519 0.143 0.000 1.236 527 W CA 1.378 58.919 57.345 0.327 0.000 1.306 527 W CB 0.137 29.805 29.460 0.346 0.000 1.101 527 W HN 0.376 nan 8.180 nan 0.000 0.577 528 E N 0.277 120.566 120.200 0.149 0.000 2.152 528 E HA -0.014 4.337 4.350 0.001 0.000 0.192 528 E C 2.416 178.986 176.600 -0.050 0.000 0.983 528 E CA 1.632 58.030 56.400 -0.003 0.000 0.818 528 E CB -0.791 28.969 29.700 0.099 0.000 0.758 528 E HN 0.291 nan 8.360 nan 0.000 0.467 529 G N 0.632 109.449 108.800 0.029 0.000 2.433 529 G HA2 -0.251 3.710 3.960 0.001 0.000 0.216 529 G HA3 -0.251 3.710 3.960 0.001 0.000 0.216 529 G C 1.576 176.448 174.900 -0.046 0.000 1.186 529 G CA 0.627 45.745 45.100 0.030 0.000 0.779 529 G HN 0.312 nan 8.290 nan 0.000 0.543 530 L N -0.036 121.127 121.223 -0.102 0.000 2.079 530 L HA -0.024 4.317 4.340 0.001 0.000 0.210 530 L C 2.897 179.557 176.870 -0.349 0.000 1.081 530 L CA 1.660 56.363 54.840 -0.229 0.000 0.752 530 L CB -0.213 41.624 42.059 -0.370 0.000 0.896 530 L HN 0.229 nan 8.230 nan 0.000 0.433 531 K N -0.546 119.549 120.400 -0.509 0.000 2.057 531 K HA -0.192 4.128 4.320 0.001 0.000 0.206 531 K C 2.253 178.735 176.600 -0.196 0.000 1.050 531 K CA 1.146 57.146 56.287 -0.478 0.000 0.935 531 K CB 0.014 32.151 32.500 -0.605 0.000 0.715 531 K HN 0.240 nan 8.250 nan 0.000 0.439 532 R N -0.096 120.335 120.500 -0.115 0.000 2.080 532 R HA -0.159 4.182 4.340 0.001 0.000 0.236 532 R C 2.350 178.670 176.300 0.034 0.000 1.137 532 R CA 1.529 57.629 56.100 -0.001 0.000 0.943 532 R CB -0.436 29.878 30.300 0.024 0.000 0.846 532 R HN 0.226 nan 8.270 nan 0.000 0.431 533 A N 0.557 123.402 122.820 0.041 0.000 1.883 533 A HA -0.158 4.162 4.320 0.001 0.000 0.217 533 A C 2.354 179.987 177.584 0.081 0.000 1.186 533 A CA 1.800 53.928 52.037 0.152 0.000 0.624 533 A CB -0.706 18.375 19.000 0.135 0.000 0.822 533 A HN 0.170 nan 8.150 nan 0.000 0.444 534 V N -0.336 119.574 119.914 -0.007 0.000 2.392 534 V HA -0.300 3.820 4.120 0.001 0.000 0.249 534 V C 2.494 178.586 176.094 -0.004 0.000 1.059 534 V CA 2.593 64.877 62.300 -0.026 0.000 1.051 534 V CB -1.074 30.695 31.823 -0.090 0.000 0.658 534 V HN 0.856 nan 8.190 nan 0.000 0.455 535 H N 0.891 119.903 119.070 -0.096 0.000 2.326 535 H HA -0.120 4.437 4.556 0.001 0.000 0.301 535 H C 2.332 177.589 175.328 -0.119 0.000 1.081 535 H CA 2.256 58.248 56.048 -0.093 0.000 1.334 535 H CB -0.592 29.118 29.762 -0.088 0.000 1.385 535 H HN 0.388 nan 8.280 nan 0.000 0.504 536 T N 1.986 116.350 114.554 -0.316 0.000 2.624 536 T HA -0.228 4.122 4.350 0.001 0.000 0.268 536 T C 2.280 176.677 174.700 -0.506 0.000 1.041 536 T CA 1.540 63.336 62.100 -0.508 0.000 1.159 536 T CB -0.760 67.726 68.868 -0.637 0.000 0.863 536 T HN 0.298 nan 8.240 nan 0.000 0.434 537 L N 0.682 121.682 121.223 -0.371 0.000 1.997 537 L HA -0.255 4.086 4.340 0.001 0.000 0.216 537 L C 2.879 179.651 176.870 -0.164 0.000 1.074 537 L CA 2.036 56.757 54.840 -0.199 0.000 0.763 537 L CB -0.781 41.270 42.059 -0.013 0.000 0.890 537 L HN 0.362 nan 8.230 nan 0.000 0.434 538 A N -0.910 121.822 122.820 -0.146 0.000 1.940 538 A HA -0.191 4.130 4.320 0.001 0.000 0.219 538 A C 2.134 179.639 177.584 -0.132 0.000 1.176 538 A CA 2.049 54.024 52.037 -0.103 0.000 0.631 538 A CB -0.872 18.095 19.000 -0.054 0.000 0.814 538 A HN 0.390 nan 8.150 nan 0.000 0.446 539 V N -0.114 119.655 119.914 -0.242 0.000 2.358 539 V HA -0.230 3.891 4.120 0.001 0.000 0.246 539 V C 2.518 178.533 176.094 -0.131 0.000 1.047 539 V CA 1.718 63.905 62.300 -0.188 0.000 1.035 539 V CB -0.829 30.825 31.823 -0.281 0.000 0.658 539 V HN 0.557 nan 8.190 nan 0.000 0.452 540 L N -0.373 120.736 121.223 -0.189 0.000 1.989 540 L HA -0.225 4.116 4.340 0.001 0.000 0.211 540 L C 2.886 179.697 176.870 -0.097 0.000 1.071 540 L CA 1.936 56.680 54.840 -0.161 0.000 0.749 540 L CB -0.527 41.427 42.059 -0.175 0.000 0.890 540 L HN 0.227 nan 8.230 nan 0.000 0.431 541 R N -0.561 119.893 120.500 -0.076 0.000 2.105 541 R HA -0.232 4.109 4.340 0.001 0.000 0.239 541 R C 2.212 178.493 176.300 -0.032 0.000 1.135 541 R CA 1.304 57.378 56.100 -0.044 0.000 0.967 541 R CB -0.330 29.950 30.300 -0.034 0.000 0.861 541 R HN 0.420 nan 8.270 nan 0.000 0.442 542 Q N 0.400 120.183 119.800 -0.028 0.000 2.443 542 Q HA -0.064 4.277 4.340 0.001 0.000 0.213 542 Q C -0.167 175.842 176.000 0.016 0.000 0.982 542 Q CA 0.688 56.495 55.803 0.007 0.000 0.894 542 Q CB 0.130 28.887 28.738 0.033 0.000 0.947 542 Q HN 0.441 nan 8.270 nan 0.000 0.480 543 G N 0.334 109.117 108.800 -0.028 0.000 3.039 543 G HA2 -0.174 3.786 3.960 0.001 0.000 0.686 543 G HA3 -0.174 3.786 3.960 0.001 0.000 0.686 543 G C -0.765 174.026 174.900 -0.181 0.000 1.066 543 G CA -0.440 44.623 45.100 -0.061 0.000 0.774 543 G HN 0.252 nan 8.290 nan 0.000 0.591 544 I N 3.438 123.849 120.570 -0.265 0.000 2.466 544 I HA 0.256 4.427 4.170 0.001 0.000 0.279 544 I C -2.262 173.730 176.117 -0.209 0.000 1.033 544 I CA -2.083 58.881 61.300 -0.560 0.000 1.123 544 I CB 2.241 39.896 38.000 -0.576 0.000 1.237 544 I HN 0.165 nan 8.210 nan 0.000 0.460 545 P HA 0.058 nan 4.420 nan 0.000 0.262 545 P C -0.490 176.885 177.300 0.125 0.000 1.199 545 P CA 0.452 63.561 63.100 0.016 0.000 0.763 545 P CB 0.312 32.027 31.700 0.026 0.000 0.790 546 H N 1.940 120.948 119.070 -0.102 0.000 3.109 546 H HA 0.566 5.122 4.556 0.001 0.000 0.190 546 H C 0.068 175.362 175.328 -0.057 0.000 1.535 546 H CA -0.329 55.670 56.048 -0.082 0.000 1.670 546 H CB 0.072 29.790 29.762 -0.074 0.000 1.373 546 H HN 0.255 nan 8.280 nan 0.000 0.920 547 Q N 0.032 119.922 119.800 0.150 0.000 3.674 547 Q HA 0.155 4.496 4.340 0.001 0.000 0.143 547 Q C -2.071 173.952 176.000 0.039 0.000 0.906 547 Q CA 0.005 55.837 55.803 0.049 0.000 1.336 547 Q CB -0.777 27.972 28.738 0.018 0.000 1.234 547 Q HN 0.356 nan 8.270 nan 0.000 0.643 548 V N 3.510 123.451 119.914 0.044 0.000 2.811 548 V HA 0.324 4.445 4.120 0.001 0.000 0.302 548 V C 0.571 176.665 176.094 -0.000 0.000 1.063 548 V CA 0.110 62.424 62.300 0.024 0.000 1.088 548 V CB 1.129 32.969 31.823 0.030 0.000 0.982 548 V HN 0.666 nan 8.190 nan 0.000 0.485 549 L N 4.641 125.860 121.223 -0.008 0.000 2.678 549 L HA 0.356 4.697 4.340 0.001 0.000 0.250 549 L C 0.144 176.999 176.870 -0.024 0.000 1.455 549 L CA -0.241 54.587 54.840 -0.020 0.000 0.823 549 L CB 0.119 42.164 42.059 -0.023 0.000 1.107 549 L HN 0.680 nan 8.230 nan 0.000 0.514 550 N N 2.021 120.707 118.700 -0.024 0.000 2.416 550 N HA 0.112 4.853 4.740 0.001 0.000 0.271 550 N C 0.709 176.185 175.510 -0.056 0.000 1.245 550 N CA -0.170 52.863 53.050 -0.028 0.000 0.940 550 N CB 1.466 39.938 38.487 -0.025 0.000 1.175 550 N HN 0.402 nan 8.380 nan 0.000 0.483 551 A N 2.937 125.714 122.820 -0.072 0.000 3.157 551 A HA -0.140 4.181 4.320 0.001 0.000 0.290 551 A C 1.074 178.514 177.584 -0.239 0.000 1.945 551 A CA 0.603 52.544 52.037 -0.160 0.000 1.315 551 A CB -0.395 18.523 19.000 -0.136 0.000 0.895 551 A HN 0.709 nan 8.150 nan 0.000 0.588 552 K N 0.026 120.320 120.400 -0.178 0.000 2.267 552 K HA 0.069 4.389 4.320 0.001 0.000 0.213 552 K C 0.459 176.975 176.600 -0.139 0.000 1.060 552 K CA 0.070 56.269 56.287 -0.146 0.000 0.935 552 K CB 0.175 32.636 32.500 -0.064 0.000 1.096 552 K HN 0.642 nan 8.250 nan 0.000 0.468 553 H N 1.653 120.632 119.070 -0.152 0.000 2.821 553 H HA 0.113 4.670 4.556 0.001 0.000 0.262 553 H C 0.722 175.988 175.328 -0.103 0.000 1.402 553 H CA -0.099 55.894 56.048 -0.092 0.000 1.293 553 H CB -0.152 29.581 29.762 -0.047 0.000 1.533 553 H HN 0.268 nan 8.280 nan 0.000 0.528 554 H N 3.030 122.171 119.070 0.118 0.000 2.357 554 H HA -0.189 4.368 4.556 0.001 0.000 0.296 554 H C 1.748 176.871 175.328 -0.341 0.000 1.108 554 H CA 1.944 57.925 56.048 -0.111 0.000 1.273 554 H CB -0.003 29.715 29.762 -0.073 0.000 1.367 554 H HN 0.696 nan 8.280 nan 0.000 0.498 555 A N 0.668 123.528 122.820 0.068 0.000 1.897 555 A HA -0.121 4.200 4.320 0.001 0.000 0.215 555 A C 2.534 179.985 177.584 -0.222 0.000 1.181 555 A CA 1.189 53.194 52.037 -0.052 0.000 0.620 555 A CB -0.135 18.997 19.000 0.219 0.000 0.821 555 A HN 0.176 nan 8.150 nan 0.000 0.443 556 R N 0.404 120.631 120.500 -0.455 0.000 2.066 556 R HA -0.054 4.287 4.340 0.001 0.000 0.232 556 R C 2.012 178.191 176.300 -0.203 0.000 1.131 556 R CA 1.801 57.646 56.100 -0.425 0.000 0.955 556 R CB -0.607 29.288 30.300 -0.674 0.000 0.851 556 R HN 0.759 nan 8.270 nan 0.000 0.432 557 E N -0.204 119.898 120.200 -0.163 0.000 2.051 557 E HA -0.157 4.194 4.350 0.001 0.000 0.192 557 E C 1.998 178.531 176.600 -0.112 0.000 0.991 557 E CA 1.182 57.519 56.400 -0.105 0.000 0.799 557 E CB -0.270 29.380 29.700 -0.084 0.000 0.748 557 E HN 0.344 nan 8.360 nan 0.000 0.449 558 A N 1.606 124.312 122.820 -0.189 0.000 1.927 558 A HA -0.305 4.016 4.320 0.001 0.000 0.220 558 A C 2.028 179.557 177.584 -0.091 0.000 1.185 558 A CA 1.969 53.889 52.037 -0.196 0.000 0.639 558 A CB -0.504 18.260 19.000 -0.394 0.000 0.820 558 A HN 0.093 nan 8.150 nan 0.000 0.451 559 E N -0.288 119.873 120.200 -0.065 0.000 2.106 559 E HA -0.062 4.289 4.350 0.001 0.000 0.192 559 E C 1.791 178.460 176.600 0.115 0.000 0.984 559 E CA 0.906 57.325 56.400 0.032 0.000 0.806 559 E CB -0.315 29.410 29.700 0.041 0.000 0.750 559 E HN 0.728 nan 8.360 nan 0.000 0.458 560 I N -0.584 120.007 120.570 0.036 0.000 2.439 560 I HA -0.195 3.976 4.170 0.001 0.000 0.251 560 I C 2.005 178.126 176.117 0.007 0.000 1.139 560 I CA 0.415 61.725 61.300 0.017 0.000 1.438 560 I CB -0.075 37.916 38.000 -0.016 0.000 1.085 560 I HN -0.012 nan 8.210 nan 0.000 0.427 561 V N 1.112 121.021 119.914 -0.008 0.000 2.307 561 V HA -0.250 3.871 4.120 0.001 0.000 0.245 561 V C 2.755 178.851 176.094 0.003 0.000 1.045 561 V CA 1.905 64.197 62.300 -0.013 0.000 1.024 561 V CB -0.818 30.983 31.823 -0.037 0.000 0.651 561 V HN 0.484 nan 8.190 nan 0.000 0.449 562 A N -0.793 122.036 122.820 0.015 0.000 2.042 562 A HA -0.256 4.065 4.320 0.001 0.000 0.222 562 A C 1.968 179.581 177.584 0.049 0.000 1.167 562 A CA 1.673 53.728 52.037 0.029 0.000 0.649 562 A CB -0.306 18.718 19.000 0.040 0.000 0.809 562 A HN 0.574 nan 8.150 nan 0.000 0.457 563 Q N -1.371 118.458 119.800 0.049 0.000 2.282 563 Q HA 0.350 4.691 4.340 0.001 0.000 0.206 563 Q C 1.771 177.774 176.000 0.004 0.000 0.878 563 Q CA 0.683 56.497 55.803 0.020 0.000 0.944 563 Q CB -0.279 28.440 28.738 -0.031 0.000 1.100 563 Q HN 0.637 nan 8.270 nan 0.000 0.509 564 A N 0.467 123.292 122.820 0.009 0.000 2.178 564 A HA 0.008 4.329 4.320 0.001 0.000 0.218 564 A C 1.880 179.474 177.584 0.017 0.000 1.157 564 A CA 1.323 53.365 52.037 0.010 0.000 0.689 564 A CB -0.478 18.527 19.000 0.007 0.000 0.787 564 A HN 0.351 nan 8.150 nan 0.000 0.465 565 G N -0.766 108.044 108.800 0.017 0.000 3.124 565 G HA2 0.190 4.150 3.960 0.001 0.000 0.212 565 G HA3 0.190 4.150 3.960 0.001 0.000 0.212 565 G C 0.629 175.539 174.900 0.017 0.000 1.181 565 G CA -0.094 45.019 45.100 0.021 0.000 0.803 565 G HN 0.550 nan 8.290 nan 0.000 0.529 566 R N 0.459 120.966 120.500 0.011 0.000 2.349 566 R HA 0.332 4.673 4.340 0.001 0.000 0.299 566 R C 2.060 178.364 176.300 0.005 0.000 1.027 566 R CA 0.394 56.496 56.100 0.004 0.000 0.958 566 R CB 0.816 31.111 30.300 -0.008 0.000 1.047 566 R HN 0.134 nan 8.270 nan 0.000 0.468 567 S N 4.281 119.978 115.700 -0.005 0.000 2.445 567 S HA -0.345 4.126 4.470 0.001 0.000 0.293 567 S C 0.822 175.410 174.600 -0.020 0.000 1.163 567 S CA 2.091 60.280 58.200 -0.018 0.000 1.287 567 S CB -0.528 62.652 63.200 -0.034 0.000 1.234 567 S HN 0.824 nan 8.310 nan 0.000 0.446 568 K N 2.236 122.626 120.400 -0.017 0.000 2.469 568 K HA 0.241 4.562 4.320 0.001 0.000 0.201 568 K C -0.032 176.651 176.600 0.139 0.000 1.028 568 K CA 0.137 56.429 56.287 0.007 0.000 1.170 568 K CB -0.012 32.471 32.500 -0.029 0.000 0.874 568 K HN 0.432 nan 8.250 nan 0.000 0.507 569 T N 0.859 115.464 114.554 0.086 0.000 2.899 569 T HA 0.243 4.594 4.350 0.001 0.000 0.295 569 T C -0.012 174.744 174.700 0.093 0.000 1.033 569 T CA -0.365 61.785 62.100 0.083 0.000 1.084 569 T CB 1.767 70.658 68.868 0.037 0.000 0.979 569 T HN -0.166 nan 8.240 nan 0.000 0.532 570 V N 2.663 122.611 119.914 0.058 0.000 2.568 570 V HA 0.276 4.396 4.120 0.001 0.000 0.276 570 V C -0.296 175.795 176.094 -0.005 0.000 1.002 570 V CA -0.853 61.457 62.300 0.016 0.000 0.879 570 V CB 1.664 33.465 31.823 -0.037 0.000 1.040 570 V HN 1.052 nan 8.190 nan 0.000 0.457 571 T N 5.794 120.346 114.554 -0.004 0.000 2.749 571 T HA 0.573 4.923 4.350 0.001 0.000 0.287 571 T C 0.139 174.825 174.700 -0.023 0.000 0.970 571 T CA -0.167 61.929 62.100 -0.007 0.000 0.980 571 T CB 1.277 70.143 68.868 -0.004 0.000 0.924 571 T HN 0.393 nan 8.240 nan 0.000 0.456 572 I N 3.280 123.838 120.570 -0.021 0.000 2.268 572 I HA 0.314 4.484 4.170 0.001 0.000 0.290 572 I C 0.842 176.949 176.117 -0.016 0.000 1.125 572 I CA -0.705 60.578 61.300 -0.029 0.000 1.236 572 I CB 0.144 38.126 38.000 -0.030 0.000 1.469 572 I HN 0.664 nan 8.210 nan 0.000 0.512 573 A N 4.763 127.573 122.820 -0.018 0.000 2.451 573 A HA 0.293 4.614 4.320 0.001 0.000 0.266 573 A C 1.129 178.713 177.584 0.001 0.000 1.119 573 A CA -0.014 52.018 52.037 -0.009 0.000 0.786 573 A CB 0.254 19.249 19.000 -0.009 0.000 1.061 573 A HN 0.666 nan 8.150 nan 0.000 0.503 574 T N 2.072 116.629 114.554 0.005 0.000 2.645 574 T HA -0.075 4.276 4.350 0.001 0.000 0.233 574 T C 0.901 175.627 174.700 0.043 0.000 1.158 574 T CA 1.561 63.672 62.100 0.017 0.000 1.610 574 T CB -0.235 68.638 68.868 0.008 0.000 1.059 574 T HN 0.737 nan 8.240 nan 0.000 0.395 575 N N 0.600 119.328 118.700 0.046 0.000 2.898 575 N HA 0.381 5.122 4.740 0.001 0.000 0.245 575 N C -0.429 175.116 175.510 0.059 0.000 1.185 575 N CA -0.052 53.045 53.050 0.078 0.000 0.879 575 N CB -0.065 38.471 38.487 0.081 0.000 1.157 575 N HN 0.335 nan 8.380 nan 0.000 0.503 576 M N 0.375 120.003 119.600 0.046 0.000 2.879 576 M HA -0.286 4.195 4.480 0.001 0.000 0.210 576 M C 0.967 177.287 176.300 0.034 0.000 0.550 576 M CA 0.274 55.588 55.300 0.023 0.000 0.732 576 M CB -1.361 31.249 32.600 0.016 0.000 2.662 576 M HN 0.562 nan 8.290 nan 0.000 0.516 577 A N 0.146 122.981 122.820 0.025 0.000 1.852 577 A HA -0.050 4.271 4.320 0.001 0.000 0.217 577 A C 1.625 179.219 177.584 0.017 0.000 1.215 577 A CA 2.226 54.273 52.037 0.016 0.000 0.641 577 A CB -0.892 18.105 19.000 -0.004 0.000 0.838 577 A HN 0.979 nan 8.150 nan 0.000 0.450 578 G N -0.725 108.071 108.800 -0.005 0.000 3.530 578 G HA2 0.300 4.261 3.960 0.001 0.000 0.269 578 G HA3 0.300 4.261 3.960 0.001 0.000 0.269 578 G C 0.435 175.322 174.900 -0.022 0.000 1.314 578 G CA -0.182 44.903 45.100 -0.026 0.000 1.441 578 G HN 0.533 nan 8.290 nan 0.000 0.595 579 R N 0.493 120.991 120.500 -0.003 0.000 2.488 579 R HA 0.334 4.675 4.340 0.001 0.000 0.306 579 R C 1.218 177.513 176.300 -0.007 0.000 1.271 579 R CA 0.947 57.046 56.100 -0.002 0.000 1.022 579 R CB -0.605 29.703 30.300 0.013 0.000 1.054 579 R HN 0.351 nan 8.270 nan 0.000 0.500 580 G N 2.081 110.876 108.800 -0.007 0.000 2.485 580 G HA2 -0.179 3.781 3.960 0.001 0.000 0.181 580 G HA3 -0.179 3.781 3.960 0.001 0.000 0.181 580 G C -0.149 174.740 174.900 -0.019 0.000 0.999 580 G CA -0.335 44.768 45.100 0.005 0.000 0.721 580 G HN 0.506 nan 8.290 nan 0.000 0.486 581 T N 3.429 117.961 114.554 -0.037 0.000 2.753 581 T HA 0.461 4.812 4.350 0.001 0.000 0.297 581 T C -0.579 174.095 174.700 -0.044 0.000 0.981 581 T CA -0.465 61.597 62.100 -0.063 0.000 0.956 581 T CB 1.114 69.941 68.868 -0.070 0.000 0.936 581 T HN 0.295 nan 8.240 nan 0.000 0.463 582 D N 3.828 124.200 120.400 -0.046 0.000 2.412 582 D HA 0.015 4.656 4.640 0.001 0.000 0.257 582 D C 0.210 176.507 176.300 -0.005 0.000 1.217 582 D CA 0.060 54.054 54.000 -0.010 0.000 0.897 582 D CB 0.915 41.722 40.800 0.012 0.000 1.132 582 D HN 0.493 nan 8.370 nan 0.000 0.493 583 I N 3.079 123.651 120.570 0.004 0.000 2.278 583 I HA -0.003 4.168 4.170 0.001 0.000 0.296 583 I C 1.027 177.155 176.117 0.019 0.000 1.121 583 I CA -0.207 61.098 61.300 0.010 0.000 1.267 583 I CB -0.024 37.981 38.000 0.009 0.000 1.447 583 I HN -0.030 nan 8.210 nan 0.000 0.509 584 K N 5.976 126.389 120.400 0.022 0.000 2.098 584 K HA 0.479 4.800 4.320 0.001 0.000 0.244 584 K C -0.212 176.404 176.600 0.026 0.000 1.014 584 K CA -0.828 55.475 56.287 0.027 0.000 0.917 584 K CB 1.195 33.714 32.500 0.032 0.000 1.072 584 K HN 0.428 nan 8.250 nan 0.000 0.477 585 L N 1.450 122.688 121.223 0.025 0.000 2.480 585 L HA 0.265 4.606 4.340 0.001 0.000 0.243 585 L C 0.262 177.144 176.870 0.020 0.000 1.315 585 L CA -0.213 54.640 54.840 0.022 0.000 1.231 585 L CB -0.338 41.734 42.059 0.022 0.000 1.444 585 L HN 0.899 nan 8.230 nan 0.000 0.409 586 G N 0.039 108.852 108.800 0.022 0.000 2.781 586 G HA2 0.086 4.047 3.960 0.001 0.000 0.468 586 G HA3 0.086 4.047 3.960 0.001 0.000 0.468 586 G C -0.119 174.803 174.900 0.037 0.000 1.186 586 G CA -0.732 44.383 45.100 0.024 0.000 1.220 586 G HN 0.522 nan 8.290 nan 0.000 0.564 587 G N 1.318 110.148 108.800 0.051 0.000 2.367 587 G HA2 0.431 4.391 3.960 0.001 0.000 0.280 587 G HA3 0.431 4.391 3.960 0.001 0.000 0.280 587 G C 0.681 175.637 174.900 0.093 0.000 1.175 587 G CA 0.004 45.151 45.100 0.078 0.000 1.001 587 G HN 0.482 nan 8.290 nan 0.000 0.437 588 N N 3.261 122.000 118.700 0.065 0.000 2.349 588 N HA 0.052 4.793 4.740 0.001 0.000 0.202 588 N C -0.569 174.971 175.510 0.052 0.000 1.041 588 N CA 0.378 53.462 53.050 0.058 0.000 0.970 588 N CB -0.516 37.992 38.487 0.035 0.000 1.173 588 N HN 0.184 nan 8.380 nan 0.000 0.493 589 P HA -0.099 nan 4.420 nan 0.000 0.219 589 P C 1.073 178.355 177.300 -0.030 0.000 1.146 589 P CA 1.095 64.201 63.100 0.011 0.000 0.808 589 P CB 0.141 31.853 31.700 0.019 0.000 0.779 590 E N -0.245 119.918 120.200 -0.061 0.000 2.012 590 E HA -0.207 4.143 4.350 0.001 0.000 0.197 590 E C 1.199 177.564 176.600 -0.391 0.000 1.007 590 E CA 1.784 58.047 56.400 -0.228 0.000 0.816 590 E CB -1.275 28.290 29.700 -0.225 0.000 0.762 590 E HN 0.301 nan 8.360 nan 0.000 0.451 591 Y N 0.058 120.357 120.300 -0.002 0.000 2.502 591 Y HA 0.170 4.721 4.550 0.001 0.000 0.295 591 Y C 1.809 177.726 175.900 0.028 0.000 1.193 591 Y CA 0.100 58.206 58.100 0.010 0.000 1.295 591 Y CB 0.101 38.564 38.460 0.005 0.000 1.059 591 Y HN 0.062 nan 8.280 nan 0.000 0.514 592 L N -1.374 119.883 121.223 0.058 0.000 2.168 592 L HA -0.042 4.299 4.340 0.001 0.000 0.203 592 L C 2.527 179.435 176.870 0.062 0.000 1.078 592 L CA 0.875 55.760 54.840 0.074 0.000 0.780 592 L CB -0.450 41.645 42.059 0.060 0.000 0.939 592 L HN 0.229 nan 8.230 nan 0.000 0.451 593 A N 0.051 122.874 122.820 0.004 0.000 1.972 593 A HA -0.151 4.170 4.320 0.001 0.000 0.219 593 A C 2.458 180.051 177.584 0.016 0.000 1.169 593 A CA 1.550 53.597 52.037 0.018 0.000 0.635 593 A CB -0.602 18.364 19.000 -0.057 0.000 0.810 593 A HN 0.400 nan 8.150 nan 0.000 0.446 594 A N -0.109 122.675 122.820 -0.060 0.000 1.940 594 A HA 0.126 4.447 4.320 0.001 0.000 0.219 594 A C 2.454 180.085 177.584 0.079 0.000 1.176 594 A CA 2.107 54.135 52.037 -0.015 0.000 0.631 594 A CB -0.854 18.137 19.000 -0.014 0.000 0.814 594 A HN 0.991 nan 8.150 nan 0.000 0.446 595 A N -0.371 122.505 122.820 0.093 0.000 1.872 595 A HA 0.096 4.417 4.320 0.001 0.000 0.214 595 A C 1.926 179.568 177.584 0.096 0.000 1.187 595 A CA 1.213 53.310 52.037 0.099 0.000 0.614 595 A CB -0.509 18.553 19.000 0.104 0.000 0.826 595 A HN 0.440 nan 8.150 nan 0.000 0.442 596 L N 0.117 121.405 121.223 0.109 0.000 2.622 596 L HA -0.009 4.332 4.340 0.001 0.000 0.233 596 L C 1.918 178.868 176.870 0.133 0.000 1.156 596 L CA -0.016 54.893 54.840 0.116 0.000 0.866 596 L CB -0.418 41.724 42.059 0.140 0.000 0.980 596 L HN 0.398 nan 8.230 nan 0.000 0.448 597 L N 0.063 121.372 121.223 0.142 0.000 2.034 597 L HA -0.147 4.193 4.340 0.001 0.000 0.203 597 L C 2.333 179.266 176.870 0.105 0.000 1.074 597 L CA 1.189 56.137 54.840 0.180 0.000 0.748 597 L CB -0.416 41.756 42.059 0.189 0.000 0.905 597 L HN 0.373 nan 8.230 nan 0.000 0.439 598 E N -0.030 120.221 120.200 0.086 0.000 2.505 598 E HA -0.134 4.216 4.350 0.001 0.000 0.197 598 E C 1.085 177.711 176.600 0.043 0.000 1.111 598 E CA 0.482 56.917 56.400 0.059 0.000 0.887 598 E CB 0.335 30.070 29.700 0.057 0.000 0.913 598 E HN 0.332 nan 8.360 nan 0.000 0.517 599 K N 0.889 121.316 120.400 0.045 0.000 3.654 599 K HA 0.124 4.444 4.320 0.001 0.000 0.263 599 K C -0.410 176.207 176.600 0.029 0.000 1.476 599 K CA -0.241 56.065 56.287 0.033 0.000 1.369 599 K CB 0.417 32.938 32.500 0.034 0.000 2.428 599 K HN 0.040 nan 8.250 nan 0.000 0.520 600 E N 1.041 121.266 120.200 0.041 0.000 1.963 600 E HA 0.240 4.591 4.350 0.001 0.000 0.274 600 E C -0.304 176.338 176.600 0.069 0.000 1.061 600 E CA -0.525 55.911 56.400 0.060 0.000 0.847 600 E CB 0.365 30.104 29.700 0.066 0.000 1.083 600 E HN 0.525 nan 8.360 nan 0.000 0.402 601 G N 3.244 112.041 108.800 -0.006 0.000 2.707 601 G HA2 -0.121 3.839 3.960 0.001 0.000 0.231 601 G HA3 -0.121 3.839 3.960 0.001 0.000 0.231 601 G C 0.461 175.330 174.900 -0.052 0.000 1.246 601 G CA -0.028 44.991 45.100 -0.135 0.000 0.852 601 G HN 0.681 nan 8.290 nan 0.000 0.584 602 F N -0.189 119.803 119.950 0.071 0.000 2.074 602 F HA 0.088 4.615 4.527 0.001 0.000 0.290 602 F C 2.028 177.879 175.800 0.084 0.000 1.118 602 F CA 0.767 58.816 58.000 0.081 0.000 1.199 602 F CB -0.999 38.031 39.000 0.049 0.000 1.012 602 F HN 0.351 nan 8.300 nan 0.000 0.472 603 D N 1.304 121.775 120.400 0.118 0.000 2.958 603 D HA -0.322 4.318 4.640 0.001 0.000 0.309 603 D C 2.161 178.517 176.300 0.093 0.000 1.093 603 D CA 2.937 57.015 54.000 0.130 0.000 1.071 603 D CB -0.680 40.057 40.800 -0.106 0.000 1.220 603 D HN 0.422 nan 8.370 nan 0.000 0.496 604 R N -0.128 120.368 120.500 -0.006 0.000 2.147 604 R HA -0.165 4.176 4.340 0.001 0.000 0.225 604 R C 2.368 178.721 176.300 0.089 0.000 1.120 604 R CA 1.688 57.777 56.100 -0.020 0.000 0.891 604 R CB -1.490 28.717 30.300 -0.156 0.000 0.822 604 R HN 0.354 nan 8.270 nan 0.000 0.433 605 Y N 1.697 122.040 120.300 0.071 0.000 2.542 605 Y HA -0.070 4.480 4.550 0.001 0.000 0.349 605 Y C 1.952 177.949 175.900 0.163 0.000 1.215 605 Y CA -0.376 57.789 58.100 0.108 0.000 1.253 605 Y CB -0.023 38.476 38.460 0.065 0.000 1.120 605 Y HN 0.401 nan 8.280 nan 0.000 0.487 606 E N 0.286 120.676 120.200 0.317 0.000 2.118 606 E HA -0.277 4.073 4.350 0.001 0.000 0.195 606 E C 1.862 178.618 176.600 0.260 0.000 0.992 606 E CA 1.072 57.620 56.400 0.246 0.000 0.804 606 E CB -0.230 29.568 29.700 0.162 0.000 0.741 606 E HN 0.687 nan 8.360 nan 0.000 0.458 607 W N 1.126 122.513 121.300 0.145 0.000 2.350 607 W HA -0.188 4.473 4.660 0.001 0.000 0.289 607 W C 1.592 178.187 176.519 0.125 0.000 1.215 607 W CA 1.549 58.965 57.345 0.118 0.000 1.236 607 W CB 0.108 29.624 29.460 0.093 0.000 1.130 607 W HN 0.040 nan 8.180 nan 0.000 0.541 608 K N -1.581 119.056 120.400 0.394 0.000 2.329 608 K HA 0.023 4.344 4.320 0.001 0.000 0.198 608 K C 1.839 178.539 176.600 0.168 0.000 1.085 608 K CA 0.712 57.123 56.287 0.207 0.000 0.961 608 K CB -0.819 31.670 32.500 -0.018 0.000 0.971 608 K HN -0.219 nan 8.250 nan 0.000 0.502 609 V N 2.411 122.422 119.914 0.163 0.000 2.219 609 V HA -0.311 3.809 4.120 0.001 0.000 0.248 609 V C 1.986 178.239 176.094 0.265 0.000 1.053 609 V CA 2.064 64.478 62.300 0.189 0.000 1.009 609 V CB -0.345 31.609 31.823 0.217 0.000 0.636 609 V HN 0.349 nan 8.190 nan 0.000 0.445 610 E N -0.383 119.946 120.200 0.215 0.000 2.072 610 E HA -0.211 4.139 4.350 0.001 0.000 0.191 610 E C 2.107 178.797 176.600 0.150 0.000 0.985 610 E CA 1.122 57.625 56.400 0.171 0.000 0.801 610 E CB -0.315 29.473 29.700 0.147 0.000 0.750 610 E HN 0.418 nan 8.360 nan 0.000 0.452 611 L N 0.617 121.945 121.223 0.174 0.000 2.362 611 L HA -0.096 4.244 4.340 0.001 0.000 0.219 611 L C 1.901 178.857 176.870 0.143 0.000 1.134 611 L CA 1.128 56.056 54.840 0.148 0.000 0.807 611 L CB -0.399 41.781 42.059 0.201 0.000 0.927 611 L HN 0.043 nan 8.230 nan 0.000 0.447 612 F N -0.673 119.306 119.950 0.048 0.000 2.179 612 F HA -0.024 4.503 4.527 0.001 0.000 0.292 612 F C 2.079 177.897 175.800 0.031 0.000 1.089 612 F CA 1.262 59.278 58.000 0.025 0.000 1.295 612 F CB -0.088 38.911 39.000 -0.001 0.000 1.041 612 F HN 0.005 nan 8.300 nan 0.000 0.487 613 I N 0.607 121.110 120.570 -0.112 0.000 2.226 613 I HA -0.269 3.902 4.170 0.001 0.000 0.245 613 I C 2.194 178.204 176.117 -0.178 0.000 1.100 613 I CA 1.550 62.738 61.300 -0.186 0.000 1.374 613 I CB -0.578 37.445 38.000 0.038 0.000 1.057 613 I HN 0.082 nan 8.210 nan 0.000 0.413 614 K N 1.132 121.487 120.400 -0.076 0.000 2.288 614 K HA -0.117 4.204 4.320 0.001 0.000 0.201 614 K C 1.999 178.549 176.600 -0.083 0.000 1.048 614 K CA 1.136 57.397 56.287 -0.044 0.000 0.956 614 K CB 0.072 32.579 32.500 0.012 0.000 0.746 614 K HN 0.022 nan 8.250 nan 0.000 0.461 615 K N -0.815 119.503 120.400 -0.138 0.000 2.137 615 K HA 0.059 4.379 4.320 0.001 0.000 0.202 615 K C 1.819 178.310 176.600 -0.183 0.000 1.052 615 K CA 0.841 57.055 56.287 -0.123 0.000 0.961 615 K CB -0.014 32.440 32.500 -0.077 0.000 0.741 615 K HN -0.002 nan 8.250 nan 0.000 0.452 616 M N 0.013 119.398 119.600 -0.359 0.000 2.059 616 M HA -0.127 4.354 4.480 0.001 0.000 0.259 616 M C 1.726 177.922 176.300 -0.173 0.000 1.072 616 M CA 1.502 56.604 55.300 -0.330 0.000 1.117 616 M CB -0.211 32.051 32.600 -0.562 0.000 1.320 616 M HN -0.051 nan 8.290 nan 0.000 0.408 617 V N 0.316 120.136 119.914 -0.155 0.000 2.324 617 V HA -0.311 3.810 4.120 0.001 0.000 0.250 617 V C 2.493 178.558 176.094 -0.048 0.000 1.060 617 V CA 1.931 64.185 62.300 -0.076 0.000 1.042 617 V CB -1.766 30.027 31.823 -0.051 0.000 0.650 617 V HN 0.627 nan 8.190 nan 0.000 0.450 618 A N -0.481 122.308 122.820 -0.051 0.000 1.969 618 A HA 0.253 4.574 4.320 0.001 0.000 0.218 618 A C 1.770 179.339 177.584 -0.024 0.000 1.169 618 A CA 1.311 53.333 52.037 -0.025 0.000 0.635 618 A CB -0.735 18.252 19.000 -0.021 0.000 0.810 618 A HN 1.569 nan 8.150 nan 0.000 0.445 619 G N -0.314 108.462 108.800 -0.040 0.000 2.734 619 G HA2 -0.124 3.836 3.960 0.001 0.000 0.277 619 G HA3 -0.124 3.836 3.960 0.001 0.000 0.277 619 G C -0.408 174.482 174.900 -0.017 0.000 1.099 619 G CA 0.088 45.172 45.100 -0.027 0.000 1.218 619 G HN 0.483 nan 8.290 nan 0.000 0.554 620 K N 1.332 121.719 120.400 -0.021 0.000 2.827 620 K HA 0.200 4.521 4.320 0.001 0.000 0.186 620 K C 1.300 177.903 176.600 0.005 0.000 1.093 620 K CA -0.052 56.232 56.287 -0.006 0.000 0.993 620 K CB 0.959 33.456 32.500 -0.005 0.000 1.199 620 K HN 0.736 nan 8.250 nan 0.000 0.598 621 E N 1.448 121.654 120.200 0.010 0.000 2.187 621 E HA -0.287 4.064 4.350 0.001 0.000 0.199 621 E C 0.904 177.523 176.600 0.031 0.000 1.004 621 E CA 1.594 58.007 56.400 0.022 0.000 0.813 621 E CB 0.048 29.759 29.700 0.019 0.000 0.736 621 E HN 0.456 nan 8.360 nan 0.000 0.468 622 E N 1.484 121.699 120.200 0.025 0.000 2.051 622 E HA -0.143 4.208 4.350 0.001 0.000 0.189 622 E C 1.933 178.555 176.600 0.036 0.000 0.979 622 E CA 1.115 57.531 56.400 0.027 0.000 0.803 622 E CB -0.304 29.408 29.700 0.021 0.000 0.761 622 E HN 0.542 nan 8.360 nan 0.000 0.451 623 E N 1.194 121.416 120.200 0.036 0.000 2.216 623 E HA 0.048 4.399 4.350 0.001 0.000 0.192 623 E C 2.060 178.706 176.600 0.077 0.000 0.988 623 E CA 0.664 57.093 56.400 0.048 0.000 0.834 623 E CB -0.023 29.699 29.700 0.036 0.000 0.772 623 E HN 0.269 nan 8.360 nan 0.000 0.479 624 A N 2.408 125.272 122.820 0.073 0.000 1.930 624 A HA -0.193 4.128 4.320 0.001 0.000 0.217 624 A C 2.202 179.911 177.584 0.208 0.000 1.175 624 A CA 1.397 53.513 52.037 0.132 0.000 0.627 624 A CB -0.441 18.590 19.000 0.051 0.000 0.815 624 A HN 0.218 nan 8.150 nan 0.000 0.443 625 R N -0.476 120.096 120.500 0.120 0.000 2.090 625 R HA 0.159 4.500 4.340 0.001 0.000 0.228 625 R C 2.162 178.497 176.300 0.058 0.000 1.110 625 R CA 1.334 57.488 56.100 0.090 0.000 0.973 625 R CB -0.676 29.658 30.300 0.057 0.000 0.869 625 R HN 0.253 nan 8.270 nan 0.000 0.440 626 A N 2.116 124.968 122.820 0.053 0.000 1.902 626 A HA -0.047 4.274 4.320 0.001 0.000 0.217 626 A C 2.319 179.912 177.584 0.015 0.000 1.181 626 A CA 1.260 53.314 52.037 0.028 0.000 0.623 626 A CB -0.540 18.479 19.000 0.032 0.000 0.818 626 A HN 0.308 nan 8.150 nan 0.000 0.443 627 L N -0.987 120.268 121.223 0.053 0.000 2.141 627 L HA -0.133 4.208 4.340 0.001 0.000 0.209 627 L C 2.990 179.794 176.870 -0.109 0.000 1.094 627 L CA 0.883 55.738 54.840 0.025 0.000 0.763 627 L CB -0.548 41.617 42.059 0.176 0.000 0.908 627 L HN 0.430 nan 8.230 nan 0.000 0.437 628 A N -0.717 122.060 122.820 -0.071 0.000 1.968 628 A HA -0.159 4.162 4.320 0.001 0.000 0.217 628 A C 2.290 179.775 177.584 -0.165 0.000 1.169 628 A CA 0.985 52.892 52.037 -0.217 0.000 0.638 628 A CB -0.214 18.750 19.000 -0.060 0.000 0.812 628 A HN 0.345 nan 8.150 nan 0.000 0.446 629 Q N 0.146 119.893 119.800 -0.088 0.000 2.046 629 Q HA -0.151 4.189 4.340 0.001 0.000 0.200 629 Q C 1.724 177.675 176.000 -0.082 0.000 0.975 629 Q CA 1.631 57.395 55.803 -0.066 0.000 0.836 629 Q CB -0.429 28.290 28.738 -0.032 0.000 0.896 629 Q HN 0.810 nan 8.270 nan 0.000 0.428 630 E N 0.209 120.349 120.200 -0.101 0.000 2.338 630 E HA -0.018 4.332 4.350 0.001 0.000 0.197 630 E C 0.532 177.026 176.600 -0.177 0.000 1.007 630 E CA 0.253 56.594 56.400 -0.098 0.000 0.849 630 E CB 0.128 29.771 29.700 -0.096 0.000 0.774 630 E HN 0.233 nan 8.360 nan 0.000 0.506 631 L N -0.671 120.385 121.223 -0.277 0.000 2.335 631 L HA 0.407 4.748 4.340 0.001 0.000 0.268 631 L C 1.007 177.760 176.870 -0.194 0.000 1.016 631 L CA -0.780 53.851 54.840 -0.348 0.000 0.805 631 L CB 1.018 42.760 42.059 -0.529 0.000 1.311 631 L HN -0.126 nan 8.230 nan 0.000 0.456 632 G N 1.366 110.080 108.800 -0.143 0.000 3.741 632 G HA2 0.410 4.370 3.960 0.001 0.000 0.263 632 G HA3 0.410 4.370 3.960 0.001 0.000 0.263 632 G C -0.052 174.777 174.900 -0.117 0.000 1.175 632 G CA -0.170 44.877 45.100 -0.087 0.000 1.642 632 G HN 0.332 nan 8.290 nan 0.000 0.644 633 I N 1.315 121.778 120.570 -0.179 0.000 2.307 633 I HA 0.378 4.549 4.170 0.001 0.000 0.287 633 I C 0.170 176.232 176.117 -0.092 0.000 1.054 633 I CA -0.870 60.322 61.300 -0.179 0.000 1.218 633 I CB 0.799 38.579 38.000 -0.367 0.000 1.398 633 I HN -0.046 nan 8.210 nan 0.000 0.475 634 R N 3.621 124.093 120.500 -0.046 0.000 2.607 634 R HA 0.282 4.623 4.340 0.001 0.000 0.261 634 R C 1.198 177.502 176.300 0.008 0.000 1.051 634 R CA -0.714 55.376 56.100 -0.016 0.000 1.110 634 R CB 0.806 31.100 30.300 -0.010 0.000 1.158 634 R HN 0.429 nan 8.270 nan 0.000 0.543 635 E N 1.489 121.699 120.200 0.017 0.000 2.136 635 E HA -0.252 4.098 4.350 0.001 0.000 0.202 635 E C 1.450 178.072 176.600 0.036 0.000 1.019 635 E CA 1.563 57.982 56.400 0.030 0.000 0.819 635 E CB 0.130 29.844 29.700 0.025 0.000 0.739 635 E HN 0.537 nan 8.360 nan 0.000 0.458 636 E N 0.045 120.261 120.200 0.028 0.000 2.070 636 E HA -0.177 4.173 4.350 0.001 0.000 0.197 636 E C 2.290 178.916 176.600 0.044 0.000 1.004 636 E CA 0.906 57.325 56.400 0.031 0.000 0.805 636 E CB -0.122 29.593 29.700 0.024 0.000 0.744 636 E HN 0.254 nan 8.360 nan 0.000 0.451 637 L N 0.367 121.618 121.223 0.047 0.000 2.095 637 L HA -0.126 4.214 4.340 0.001 0.000 0.204 637 L C 2.505 179.444 176.870 0.115 0.000 1.080 637 L CA 0.567 55.450 54.840 0.071 0.000 0.759 637 L CB -0.290 41.798 42.059 0.048 0.000 0.914 637 L HN 0.197 nan 8.230 nan 0.000 0.439 638 L N -0.095 121.200 121.223 0.119 0.000 2.187 638 L HA -0.234 4.107 4.340 0.001 0.000 0.213 638 L C 2.529 179.464 176.870 0.109 0.000 1.100 638 L CA 0.998 55.937 54.840 0.165 0.000 0.765 638 L CB -0.263 41.880 42.059 0.138 0.000 0.904 638 L HN 0.303 nan 8.230 nan 0.000 0.437 639 E N 0.409 120.655 120.200 0.077 0.000 2.060 639 E HA -0.202 4.149 4.350 0.001 0.000 0.189 639 E C 2.150 178.782 176.600 0.053 0.000 0.974 639 E CA 0.814 57.248 56.400 0.055 0.000 0.808 639 E CB -0.023 29.703 29.700 0.042 0.000 0.768 639 E HN 0.036 nan 8.360 nan 0.000 0.453 640 R N 0.308 120.843 120.500 0.059 0.000 2.193 640 R HA 0.071 4.411 4.340 0.001 0.000 0.229 640 R C 2.000 178.336 176.300 0.061 0.000 1.110 640 R CA 1.150 57.283 56.100 0.056 0.000 0.988 640 R CB -0.541 29.794 30.300 0.059 0.000 0.871 640 R HN 0.362 nan 8.270 nan 0.000 0.458 641 I N -0.455 120.159 120.570 0.074 0.000 2.333 641 I HA -0.162 4.009 4.170 0.001 0.000 0.246 641 I C 2.146 178.282 176.117 0.032 0.000 1.106 641 I CA 0.978 62.316 61.300 0.063 0.000 1.411 641 I CB -0.175 37.877 38.000 0.087 0.000 1.082 641 I HN 0.139 nan 8.210 nan 0.000 0.420 642 R N 0.425 120.944 120.500 0.033 0.000 2.115 642 R HA -0.195 4.145 4.340 0.001 0.000 0.230 642 R C 2.147 178.459 176.300 0.019 0.000 1.111 642 R CA 1.353 57.464 56.100 0.018 0.000 0.976 642 R CB -0.185 30.128 30.300 0.023 0.000 0.870 642 R HN 0.302 nan 8.270 nan 0.000 0.445 643 E N 1.240 121.456 120.200 0.026 0.000 2.047 643 E HA -0.115 4.236 4.350 0.001 0.000 0.191 643 E C 1.797 178.411 176.600 0.023 0.000 0.987 643 E CA 1.068 57.482 56.400 0.023 0.000 0.799 643 E CB -0.105 29.611 29.700 0.026 0.000 0.752 643 E HN 0.212 nan 8.360 nan 0.000 0.449 644 I N 0.452 121.040 120.570 0.031 0.000 2.179 644 I HA -0.252 3.919 4.170 0.001 0.000 0.242 644 I C 2.814 178.947 176.117 0.026 0.000 1.088 644 I CA 1.232 62.553 61.300 0.034 0.000 1.357 644 I CB -0.296 37.736 38.000 0.053 0.000 1.051 644 I HN 0.173 nan 8.210 nan 0.000 0.409 645 R N 1.022 121.534 120.500 0.020 0.000 2.070 645 R HA -0.247 4.093 4.340 0.001 0.000 0.233 645 R C 2.068 178.373 176.300 0.009 0.000 1.137 645 R CA 1.997 58.104 56.100 0.010 0.000 0.945 645 R CB -0.191 30.107 30.300 -0.004 0.000 0.845 645 R HN 0.189 nan 8.270 nan 0.000 0.430 646 E N 0.141 120.346 120.200 0.008 0.000 2.418 646 E HA -0.168 4.183 4.350 0.001 0.000 0.197 646 E C 1.685 178.290 176.600 0.007 0.000 1.026 646 E CA 1.185 57.589 56.400 0.007 0.000 0.862 646 E CB 0.157 29.861 29.700 0.007 0.000 0.799 646 E HN 0.555 nan 8.360 nan 0.000 0.518 647 E N -0.919 119.286 120.200 0.009 0.000 2.122 647 E HA -0.130 4.220 4.350 0.001 0.000 0.190 647 E C 1.660 178.264 176.600 0.006 0.000 0.977 647 E CA 1.058 57.462 56.400 0.007 0.000 0.820 647 E CB -0.387 29.317 29.700 0.008 0.000 0.770 647 E HN 0.242 nan 8.360 nan 0.000 0.462 648 C N 1.367 120.673 119.300 0.011 0.000 2.450 648 C HA 0.081 4.541 4.460 0.001 0.000 0.279 648 C C 2.538 177.534 174.990 0.010 0.000 1.335 648 C CA 0.417 59.442 59.018 0.012 0.000 1.749 648 C CB -0.620 27.133 27.740 0.020 0.000 1.963 648 C HN 0.401 nan 8.230 nan 0.000 0.501 649 K N 0.461 120.867 120.400 0.009 0.000 2.097 649 K HA -0.155 4.165 4.320 0.001 0.000 0.206 649 K C 1.967 178.571 176.600 0.005 0.000 1.049 649 K CA 1.390 57.682 56.287 0.007 0.000 0.933 649 K CB -0.221 32.283 32.500 0.006 0.000 0.717 649 K HN 0.631 nan 8.250 nan 0.000 0.442 650 Q N -0.092 119.710 119.800 0.004 0.000 2.389 650 Q HA -0.110 4.231 4.340 0.001 0.000 0.204 650 Q C 1.308 177.308 176.000 -0.001 0.000 0.944 650 Q CA 0.859 56.662 55.803 0.001 0.000 0.908 650 Q CB 0.149 28.887 28.738 -0.000 0.000 1.002 650 Q HN 0.216 nan 8.270 nan 0.000 0.493 651 D N 0.758 121.159 120.400 0.001 0.000 2.249 651 D HA -0.113 4.528 4.640 0.001 0.000 0.205 651 D C 1.648 177.950 176.300 0.002 0.000 0.962 651 D CA 0.686 54.685 54.000 -0.001 0.000 0.860 651 D CB 0.291 41.090 40.800 -0.001 0.000 0.955 651 D HN 0.115 nan 8.370 nan 0.000 0.505 652 E N 0.381 120.584 120.200 0.006 0.000 2.031 652 E HA -0.198 4.153 4.350 0.001 0.000 0.193 652 E C 1.834 178.438 176.600 0.007 0.000 0.994 652 E CA 0.746 57.152 56.400 0.010 0.000 0.800 652 E CB -0.084 29.623 29.700 0.012 0.000 0.752 652 E HN 0.376 nan 8.360 nan 0.000 0.447 653 E N 0.702 120.905 120.200 0.005 0.000 2.171 653 E HA -0.242 4.109 4.350 0.001 0.000 0.197 653 E C 1.983 178.583 176.600 0.001 0.000 0.997 653 E CA 1.155 57.557 56.400 0.003 0.000 0.810 653 E CB 0.066 29.767 29.700 0.001 0.000 0.738 653 E HN 0.180 nan 8.360 nan 0.000 0.467 654 R N -0.367 120.132 120.500 -0.002 0.000 2.080 654 R HA -0.002 4.338 4.340 0.001 0.000 0.222 654 R C 2.596 178.893 176.300 -0.005 0.000 1.107 654 R CA 0.954 57.050 56.100 -0.007 0.000 0.980 654 R CB -0.099 30.194 30.300 -0.012 0.000 0.879 654 R HN 0.035 nan 8.270 nan 0.000 0.439 655 V N 1.148 121.062 119.914 -0.001 0.000 2.295 655 V HA -0.211 3.910 4.120 0.001 0.000 0.246 655 V C 2.130 178.231 176.094 0.012 0.000 1.049 655 V CA 1.539 63.842 62.300 0.005 0.000 1.024 655 V CB -0.465 31.365 31.823 0.011 0.000 0.648 655 V HN 0.260 nan 8.190 nan 0.000 0.447 656 R N -0.331 120.177 120.500 0.013 0.000 2.395 656 R HA -0.022 4.318 4.340 0.001 0.000 0.203 656 R C 1.205 177.514 176.300 0.015 0.000 1.076 656 R CA 0.863 56.974 56.100 0.017 0.000 1.059 656 R CB -0.129 30.179 30.300 0.015 0.000 0.860 656 R HN 0.542 nan 8.270 nan 0.000 0.476 657 A N -0.915 121.910 122.820 0.009 0.000 2.701 657 A HA 0.178 4.499 4.320 0.001 0.000 0.241 657 A C 0.863 178.448 177.584 0.002 0.000 1.231 657 A CA -0.430 51.611 52.037 0.007 0.000 1.003 657 A CB 0.527 19.529 19.000 0.002 0.000 1.281 657 A HN 0.280 nan 8.150 nan 0.000 0.600 658 L N -0.780 120.443 121.223 -0.000 0.000 2.667 658 L HA 0.389 4.730 4.340 0.001 0.000 0.232 658 L C 1.341 178.205 176.870 -0.009 0.000 1.138 658 L CA 0.913 55.747 54.840 -0.012 0.000 0.921 658 L CB 0.487 42.535 42.059 -0.020 0.000 1.180 658 L HN 0.608 nan 8.230 nan 0.000 0.487 659 G N -0.631 108.176 108.800 0.011 0.000 2.698 659 G HA2 0.021 3.981 3.960 0.001 0.000 0.200 659 G HA3 0.021 3.981 3.960 0.001 0.000 0.200 659 G C 0.398 175.333 174.900 0.059 0.000 2.083 659 G CA -0.251 44.866 45.100 0.029 0.000 1.629 659 G HN 0.710 nan 8.290 nan 0.000 0.565 660 G N -1.313 107.527 108.800 0.066 0.000 2.356 660 G HA2 0.437 4.397 3.960 0.001 0.000 0.266 660 G HA3 0.437 4.397 3.960 0.001 0.000 0.266 660 G C 0.652 175.614 174.900 0.103 0.000 1.312 660 G CA 0.158 45.306 45.100 0.080 0.000 0.922 660 G HN 1.161 nan 8.290 nan 0.000 0.480 661 L N -1.146 120.139 121.223 0.103 0.000 1.961 661 L HA 0.312 4.653 4.340 0.001 0.000 0.210 661 L C 1.372 178.351 176.870 0.182 0.000 1.072 661 L CA 1.869 56.770 54.840 0.101 0.000 0.749 661 L CB -0.273 41.820 42.059 0.057 0.000 0.889 661 L HN 1.101 nan 8.230 nan 0.000 0.432 662 F N -0.200 119.750 119.950 -0.000 0.000 2.205 662 F HA -0.210 4.318 4.527 0.001 0.000 0.442 662 F C -0.558 175.230 175.800 -0.019 0.000 1.197 662 F CA -0.443 57.547 58.000 -0.017 0.000 1.444 662 F CB -0.630 38.343 39.000 -0.044 0.000 2.233 662 F HN -0.073 nan 8.300 nan 0.000 0.749 663 I N 6.944 127.169 120.570 -0.575 0.000 2.428 663 I HA 0.342 4.512 4.170 0.001 0.000 0.289 663 I C 0.439 176.193 176.117 -0.606 0.000 1.019 663 I CA 0.023 61.071 61.300 -0.420 0.000 1.351 663 I CB 0.888 38.746 38.000 -0.236 0.000 1.412 663 I HN 0.312 nan 8.210 nan 0.000 0.513 664 I N 5.975 126.342 120.570 -0.339 0.000 2.390 664 I HA 0.359 4.530 4.170 0.001 0.000 0.283 664 I C 0.491 176.405 176.117 -0.339 0.000 1.016 664 I CA -0.439 60.710 61.300 -0.252 0.000 1.151 664 I CB 1.244 39.199 38.000 -0.074 0.000 1.293 664 I HN 0.654 nan 8.210 nan 0.000 0.458 665 G N 3.329 111.749 108.800 -0.634 0.000 2.339 665 G HA2 0.295 4.256 3.960 0.001 0.000 0.287 665 G HA3 0.295 4.256 3.960 0.001 0.000 0.287 665 G C 0.722 175.252 174.900 -0.616 0.000 1.163 665 G CA -0.206 44.281 45.100 -1.021 0.000 0.872 665 G HN 0.622 nan 8.290 nan 0.000 0.464 666 T N 1.289 115.596 114.554 -0.411 0.000 2.857 666 T HA 0.036 4.386 4.350 0.001 0.000 0.266 666 T C 0.800 175.344 174.700 -0.260 0.000 1.048 666 T CA 1.507 63.394 62.100 -0.354 0.000 1.139 666 T CB -0.146 68.531 68.868 -0.319 0.000 0.874 666 T HN 0.818 nan 8.240 nan 0.000 0.455 667 E N -0.041 120.040 120.200 -0.199 0.000 2.412 667 E HA 0.486 4.837 4.350 0.001 0.000 0.279 667 E C -1.455 175.178 176.600 0.055 0.000 0.984 667 E CA -1.158 55.215 56.400 -0.045 0.000 0.788 667 E CB 1.490 31.147 29.700 -0.073 0.000 1.277 667 E HN 0.007 nan 8.360 nan 0.000 0.455 668 R N 1.050 121.665 120.500 0.193 0.000 2.490 668 R HA 0.322 4.663 4.340 0.001 0.000 0.278 668 R C -0.245 176.068 176.300 0.021 0.000 1.069 668 R CA -0.405 55.832 56.100 0.229 0.000 1.080 668 R CB 0.376 30.742 30.300 0.111 0.000 1.030 668 R HN 0.508 nan 8.270 nan 0.000 0.491 669 H N 0.605 119.768 119.070 0.156 0.000 2.344 669 H HA 0.042 4.598 4.556 0.001 0.000 0.333 669 H C 0.291 175.625 175.328 0.009 0.000 1.607 669 H CA -0.325 55.774 56.048 0.084 0.000 1.455 669 H CB 0.520 30.331 29.762 0.081 0.000 1.716 669 H HN 0.572 nan 8.280 nan 0.000 0.646 670 E N -0.195 120.072 120.200 0.111 0.000 2.403 670 E HA 0.123 4.474 4.350 0.001 0.000 0.187 670 E C -0.682 175.877 176.600 -0.067 0.000 1.073 670 E CA -0.122 56.241 56.400 -0.061 0.000 0.888 670 E CB 0.297 29.913 29.700 -0.140 0.000 1.035 670 E HN 0.417 nan 8.360 nan 0.000 0.471 671 S N -0.873 114.822 115.700 -0.007 0.000 2.579 671 S HA 0.089 4.560 4.470 0.001 0.000 0.290 671 S C 0.493 175.076 174.600 -0.029 0.000 1.123 671 S CA -0.958 57.222 58.200 -0.034 0.000 0.894 671 S CB 0.887 64.065 63.200 -0.037 0.000 1.095 671 S HN 0.271 nan 8.310 nan 0.000 0.450 672 R N 3.791 124.258 120.500 -0.055 0.000 2.127 672 R HA -0.141 4.200 4.340 0.001 0.000 0.238 672 R C 1.994 178.252 176.300 -0.069 0.000 1.134 672 R CA 1.669 57.722 56.100 -0.079 0.000 0.975 672 R CB -0.643 29.609 30.300 -0.081 0.000 0.865 672 R HN 0.784 nan 8.270 nan 0.000 0.447 673 R N 0.864 121.334 120.500 -0.051 0.000 2.073 673 R HA 0.012 4.353 4.340 0.001 0.000 0.229 673 R C 2.102 178.366 176.300 -0.059 0.000 1.120 673 R CA 1.434 57.508 56.100 -0.043 0.000 0.967 673 R CB -0.594 29.691 30.300 -0.025 0.000 0.862 673 R HN 0.270 nan 8.270 nan 0.000 0.436 674 I N 2.520 123.045 120.570 -0.075 0.000 2.756 674 I HA -0.162 4.008 4.170 0.001 0.000 0.262 674 I C 1.056 177.016 176.117 -0.261 0.000 1.225 674 I CA 1.414 62.623 61.300 -0.152 0.000 1.472 674 I CB -0.256 37.660 38.000 -0.140 0.000 1.094 674 I HN 0.435 nan 8.210 nan 0.000 0.454 675 D N -1.859 118.475 120.400 -0.110 0.000 2.441 675 D HA -0.075 4.565 4.640 0.001 0.000 0.210 675 D C 1.440 177.760 176.300 0.033 0.000 1.102 675 D CA 0.167 54.186 54.000 0.031 0.000 0.840 675 D CB -0.488 40.508 40.800 0.327 0.000 0.990 675 D HN -0.047 nan 8.370 nan 0.000 0.505 676 N N 0.333 119.010 118.700 -0.039 0.000 2.494 676 N HA -0.020 4.721 4.740 0.001 0.000 0.182 676 N C 1.386 176.899 175.510 0.005 0.000 1.076 676 N CA 0.477 53.513 53.050 -0.024 0.000 0.908 676 N CB 0.140 38.605 38.487 -0.038 0.000 0.967 676 N HN 0.292 nan 8.380 nan 0.000 0.449 677 Q N -0.234 119.561 119.800 -0.009 0.000 2.212 677 Q HA 0.185 4.525 4.340 0.001 0.000 0.199 677 Q C 1.912 177.917 176.000 0.009 0.000 0.950 677 Q CA 0.385 56.181 55.803 -0.011 0.000 0.863 677 Q CB 0.176 28.890 28.738 -0.041 0.000 0.944 677 Q HN 0.299 nan 8.270 nan 0.000 0.465 678 L N 0.112 121.358 121.223 0.039 0.000 2.083 678 L HA -0.177 4.164 4.340 0.001 0.000 0.209 678 L C 2.097 179.000 176.870 0.055 0.000 1.083 678 L CA 1.288 56.162 54.840 0.055 0.000 0.752 678 L CB -0.057 42.081 42.059 0.131 0.000 0.899 678 L HN 0.214 nan 8.230 nan 0.000 0.433 679 R N -0.803 119.760 120.500 0.106 0.000 2.115 679 R HA -0.088 4.253 4.340 0.001 0.000 0.230 679 R C 2.150 178.468 176.300 0.030 0.000 1.111 679 R CA 0.999 57.140 56.100 0.069 0.000 0.976 679 R CB -0.510 29.848 30.300 0.097 0.000 0.870 679 R HN 0.430 nan 8.270 nan 0.000 0.445 680 G N 0.740 109.556 108.800 0.028 0.000 2.470 680 G HA2 -0.253 3.707 3.960 0.001 0.000 0.220 680 G HA3 -0.253 3.707 3.960 0.001 0.000 0.220 680 G C 1.345 176.253 174.900 0.013 0.000 1.121 680 G CA 0.201 45.312 45.100 0.018 0.000 0.766 680 G HN 0.241 nan 8.290 nan 0.000 0.553 681 R N 0.244 120.748 120.500 0.007 0.000 2.241 681 R HA 0.172 4.513 4.340 0.001 0.000 0.224 681 R C 1.335 177.639 176.300 0.006 0.000 1.101 681 R CA 0.629 56.730 56.100 0.003 0.000 0.995 681 R CB -0.093 30.203 30.300 -0.007 0.000 0.870 681 R HN 0.380 nan 8.270 nan 0.000 0.463 682 A N -0.743 122.080 122.820 0.005 0.000 2.299 682 A HA 0.565 4.886 4.320 0.001 0.000 0.332 682 A C 0.564 178.167 177.584 0.031 0.000 1.131 682 A CA -0.171 51.876 52.037 0.017 0.000 0.844 682 A CB 0.821 19.825 19.000 0.007 0.000 1.251 682 A HN 0.264 nan 8.150 nan 0.000 0.486 683 G N 0.921 109.745 108.800 0.041 0.000 2.338 683 G HA2 -0.308 3.653 3.960 0.001 0.000 0.296 683 G HA3 -0.308 3.653 3.960 0.001 0.000 0.296 683 G C 0.787 175.706 174.900 0.031 0.000 1.040 683 G CA 0.933 46.058 45.100 0.042 0.000 1.004 683 G HN 1.232 nan 8.290 nan 0.000 0.509 684 R N -0.964 119.554 120.500 0.028 0.000 2.325 684 R HA -0.084 4.257 4.340 0.001 0.000 0.208 684 R C 0.664 176.975 176.300 0.020 0.000 1.043 684 R CA 1.052 57.168 56.100 0.027 0.000 0.829 684 R CB -0.379 29.939 30.300 0.030 0.000 0.763 684 R HN 0.388 nan 8.270 nan 0.000 0.446 685 Q N 1.420 121.228 119.800 0.013 0.000 2.456 685 Q HA 0.164 4.504 4.340 0.001 0.000 0.234 685 Q C 0.181 176.172 176.000 -0.015 0.000 1.061 685 Q CA 0.530 56.326 55.803 -0.011 0.000 0.896 685 Q CB 1.422 30.144 28.738 -0.027 0.000 1.233 685 Q HN 0.839 nan 8.270 nan 0.000 0.506 686 G N 3.419 112.213 108.800 -0.010 0.000 2.216 686 G HA2 -0.280 3.681 3.960 0.001 0.000 0.269 686 G HA3 -0.280 3.681 3.960 0.001 0.000 0.269 686 G C 0.255 175.160 174.900 0.008 0.000 0.981 686 G CA 0.522 45.619 45.100 -0.005 0.000 0.658 686 G HN 0.538 nan 8.290 nan 0.000 0.539 687 D N 1.419 121.827 120.400 0.014 0.000 2.378 687 D HA 0.391 5.032 4.640 0.001 0.000 0.238 687 D C -1.644 174.678 176.300 0.037 0.000 1.180 687 D CA -0.814 53.200 54.000 0.024 0.000 0.895 687 D CB 0.553 41.369 40.800 0.027 0.000 1.192 687 D HN 0.149 nan 8.370 nan 0.000 0.438 688 P HA 0.452 nan 4.420 nan 0.000 0.274 688 P C -0.430 176.917 177.300 0.078 0.000 1.256 688 P CA -0.246 62.890 63.100 0.060 0.000 0.795 688 P CB 0.864 32.595 31.700 0.053 0.000 1.038 689 G N -1.327 107.540 108.800 0.112 0.000 2.347 689 G HA2 0.506 4.467 3.960 0.001 0.000 0.303 689 G HA3 0.506 4.467 3.960 0.001 0.000 0.303 689 G C -1.403 173.624 174.900 0.211 0.000 1.481 689 G CA -0.054 45.133 45.100 0.145 0.000 0.914 689 G HN 0.705 nan 8.290 nan 0.000 0.638 690 G N -1.189 107.782 108.800 0.286 0.000 2.695 690 G HA2 1.063 5.024 3.960 0.001 0.000 0.290 690 G HA3 1.063 5.024 3.960 0.001 0.000 0.290 690 G C -0.448 174.337 174.900 -0.190 0.000 1.410 690 G CA 0.587 45.895 45.100 0.346 0.000 0.844 690 G HN 2.122 nan 8.290 nan 0.000 0.478 691 S N -0.980 114.570 115.700 -0.250 0.000 2.570 691 S HA 0.852 5.322 4.470 0.001 0.000 0.270 691 S C -1.018 173.453 174.600 -0.214 0.000 1.149 691 S CA -0.818 57.061 58.200 -0.535 0.000 0.837 691 S CB 2.505 65.626 63.200 -0.131 0.000 1.124 691 S HN 1.302 nan 8.310 nan 0.000 0.465 692 R N 1.167 121.558 120.500 -0.182 0.000 2.647 692 R HA 0.513 4.854 4.340 0.001 0.000 0.260 692 R C -2.191 174.164 176.300 0.092 0.000 1.154 692 R CA -0.555 55.589 56.100 0.074 0.000 1.029 692 R CB 0.716 31.081 30.300 0.107 0.000 1.262 692 R HN 0.561 nan 8.270 nan 0.000 0.437 693 F N 2.676 122.583 119.950 -0.071 0.000 2.403 693 F HA 0.528 5.055 4.527 0.001 0.000 0.326 693 F C -0.383 175.285 175.800 -0.220 0.000 1.081 693 F CA -0.101 57.877 58.000 -0.036 0.000 1.041 693 F CB 1.067 40.058 39.000 -0.015 0.000 1.234 693 F HN 0.363 nan 8.300 nan 0.000 0.503 694 Y N 0.297 120.624 120.300 0.044 0.000 2.485 694 Y HA 0.706 5.256 4.550 0.001 0.000 0.345 694 Y C -0.543 175.362 175.900 0.008 0.000 0.998 694 Y CA -1.014 57.087 58.100 0.002 0.000 1.059 694 Y CB 1.947 40.314 38.460 -0.154 0.000 1.234 694 Y HN 0.203 nan 8.280 nan 0.000 0.461 695 V N 1.566 121.553 119.914 0.121 0.000 3.114 695 V HA 0.776 4.896 4.120 0.001 0.000 0.308 695 V C -1.096 175.004 176.094 0.009 0.000 1.168 695 V CA -0.904 61.435 62.300 0.065 0.000 1.015 695 V CB 2.433 34.295 31.823 0.064 0.000 1.050 695 V HN 0.811 nan 8.190 nan 0.000 0.433 696 S N 1.177 116.867 115.700 -0.017 0.000 2.541 696 S HA 0.607 5.078 4.470 0.001 0.000 0.271 696 S C -0.186 174.430 174.600 0.027 0.000 1.133 696 S CA -0.551 57.587 58.200 -0.103 0.000 0.876 696 S CB 1.322 64.491 63.200 -0.051 0.000 1.105 696 S HN 0.334 nan 8.310 nan 0.000 0.470 697 F N 1.209 121.183 119.950 0.040 0.000 2.546 697 F HA 0.109 4.637 4.527 0.001 0.000 0.298 697 F C 1.557 177.380 175.800 0.038 0.000 1.120 697 F CA 0.342 58.361 58.000 0.033 0.000 1.456 697 F CB -0.698 38.322 39.000 0.034 0.000 1.088 697 F HN 0.552 nan 8.300 nan 0.000 0.572 698 D N -0.440 120.074 120.400 0.190 0.000 2.301 698 D HA -0.026 4.615 4.640 0.001 0.000 0.206 698 D C 0.435 176.795 176.300 0.100 0.000 0.979 698 D CA 0.417 54.493 54.000 0.128 0.000 0.874 698 D CB -0.378 40.479 40.800 0.096 0.000 0.968 698 D HN 0.347 nan 8.370 nan 0.000 0.510 699 D N 0.398 120.853 120.400 0.092 0.000 2.400 699 D HA -0.061 4.580 4.640 0.001 0.000 0.238 699 D C 0.872 177.226 176.300 0.090 0.000 1.157 699 D CA -0.219 53.829 54.000 0.079 0.000 0.889 699 D CB 0.946 41.774 40.800 0.046 0.000 1.199 699 D HN -0.297 nan 8.370 nan 0.000 0.436 700 D N 0.551 121.001 120.400 0.085 0.000 2.723 700 D HA -0.267 4.374 4.640 0.001 0.000 0.208 700 D C 1.911 178.304 176.300 0.155 0.000 1.050 700 D CA 1.314 55.377 54.000 0.105 0.000 0.893 700 D CB -0.415 40.455 40.800 0.117 0.000 1.062 700 D HN 0.428 nan 8.370 nan 0.000 0.478 701 L N 0.039 121.374 121.223 0.187 0.000 2.010 701 L HA -0.245 4.096 4.340 0.001 0.000 0.219 701 L C 2.149 179.153 176.870 0.223 0.000 1.077 701 L CA 1.734 56.724 54.840 0.251 0.000 0.773 701 L CB -0.482 41.670 42.059 0.156 0.000 0.892 701 L HN 0.203 nan 8.230 nan 0.000 0.436 702 M N -0.634 119.059 119.600 0.156 0.000 2.476 702 M HA -0.111 4.370 4.480 0.001 0.000 0.262 702 M C 2.040 178.389 176.300 0.083 0.000 1.079 702 M CA 1.104 56.483 55.300 0.132 0.000 1.104 702 M CB -0.993 31.709 32.600 0.170 0.000 1.409 702 M HN 0.461 nan 8.290 nan 0.000 0.467 703 R N 0.290 120.821 120.500 0.052 0.000 2.191 703 R HA 0.144 4.485 4.340 0.001 0.000 0.196 703 R C 1.844 178.085 176.300 -0.099 0.000 0.991 703 R CA 0.577 56.673 56.100 -0.006 0.000 1.075 703 R CB -0.720 29.583 30.300 0.005 0.000 1.040 703 R HN 0.318 nan 8.270 nan 0.000 0.526 704 L N 0.137 121.248 121.223 -0.186 0.000 2.044 704 L HA 0.096 4.437 4.340 0.001 0.000 0.205 704 L C 1.425 177.831 176.870 -0.773 0.000 1.075 704 L CA 1.453 55.968 54.840 -0.543 0.000 0.747 704 L CB -0.248 41.344 42.059 -0.779 0.000 0.903 704 L HN 0.024 nan 8.230 nan 0.000 0.435 705 F N -0.519 119.446 119.950 0.024 0.000 2.682 705 F HA 0.375 4.903 4.527 0.001 0.000 0.308 705 F C 1.029 176.838 175.800 0.014 0.000 1.093 705 F CA -0.513 57.498 58.000 0.019 0.000 1.244 705 F CB -0.030 38.983 39.000 0.022 0.000 1.052 705 F HN -0.151 nan 8.300 nan 0.000 0.573 706 A N 0.586 123.470 122.820 0.107 0.000 2.316 706 A HA 0.528 4.848 4.320 0.001 0.000 0.284 706 A C 0.571 178.171 177.584 0.027 0.000 1.115 706 A CA -0.386 51.692 52.037 0.070 0.000 0.812 706 A CB 0.192 19.221 19.000 0.049 0.000 1.064 706 A HN 0.239 nan 8.150 nan 0.000 0.489 707 S N 1.029 116.741 115.700 0.020 0.000 2.563 707 S HA 0.004 4.474 4.470 0.001 0.000 0.284 707 S C 0.296 174.889 174.600 -0.012 0.000 1.331 707 S CA 0.188 58.391 58.200 0.004 0.000 1.047 707 S CB 0.470 63.672 63.200 0.003 0.000 0.859 707 S HN 0.618 nan 8.310 nan 0.000 0.514 708 D N 1.107 121.498 120.400 -0.015 0.000 2.310 708 D HA -0.093 4.547 4.640 0.001 0.000 0.212 708 D C 1.895 178.181 176.300 -0.022 0.000 0.965 708 D CA 0.701 54.688 54.000 -0.021 0.000 0.879 708 D CB -0.082 40.707 40.800 -0.019 0.000 0.921 708 D HN 0.709 nan 8.370 nan 0.000 0.510 709 R N 0.847 121.335 120.500 -0.020 0.000 2.100 709 R HA -0.043 4.297 4.340 0.001 0.000 0.220 709 R C 1.919 178.199 176.300 -0.034 0.000 1.091 709 R CA 0.623 56.709 56.100 -0.023 0.000 0.986 709 R CB -0.115 30.175 30.300 -0.016 0.000 0.888 709 R HN -0.043 nan 8.270 nan 0.000 0.444 710 V N 1.773 121.665 119.914 -0.037 0.000 2.323 710 V HA -0.157 3.964 4.120 0.001 0.000 0.244 710 V C 2.329 178.366 176.094 -0.095 0.000 1.041 710 V CA 1.465 63.730 62.300 -0.060 0.000 1.025 710 V CB -0.312 31.482 31.823 -0.048 0.000 0.656 710 V HN 0.279 nan 8.190 nan 0.000 0.451 711 I N 0.494 121.021 120.570 -0.072 0.000 3.164 711 I HA -0.167 4.003 4.170 0.001 0.000 0.278 711 I C 2.134 178.209 176.117 -0.069 0.000 1.320 711 I CA 1.046 62.300 61.300 -0.076 0.000 1.422 711 I CB -0.498 37.481 38.000 -0.035 0.000 1.066 711 I HN 0.308 nan 8.210 nan 0.000 0.503 712 A N 0.090 122.872 122.820 -0.063 0.000 1.970 712 A HA 0.073 4.393 4.320 0.001 0.000 0.204 712 A C 2.210 179.760 177.584 -0.057 0.000 1.325 712 A CA 0.019 52.028 52.037 -0.047 0.000 0.767 712 A CB -0.224 18.756 19.000 -0.033 0.000 0.949 712 A HN 0.150 nan 8.150 nan 0.000 0.481 713 M N 0.258 119.819 119.600 -0.066 0.000 2.117 713 M HA -0.028 4.453 4.480 0.001 0.000 0.262 713 M C 2.029 178.277 176.300 -0.087 0.000 1.065 713 M CA 1.364 56.624 55.300 -0.066 0.000 1.114 713 M CB -1.172 31.394 32.600 -0.056 0.000 1.361 713 M HN 0.427 nan 8.290 nan 0.000 0.408 714 L N -0.310 120.826 121.223 -0.145 0.000 1.989 714 L HA -0.296 4.045 4.340 0.001 0.000 0.211 714 L C 1.883 178.701 176.870 -0.087 0.000 1.071 714 L CA 1.817 56.516 54.840 -0.234 0.000 0.749 714 L CB -0.663 41.006 42.059 -0.651 0.000 0.890 714 L HN 0.286 nan 8.230 nan 0.000 0.431 715 D N -0.702 119.655 120.400 -0.071 0.000 2.078 715 D HA -0.179 4.462 4.640 0.001 0.000 0.193 715 D C 2.260 178.571 176.300 0.019 0.000 0.990 715 D CA 1.227 55.248 54.000 0.036 0.000 0.827 715 D CB 0.011 40.826 40.800 0.026 0.000 0.975 715 D HN 0.158 nan 8.370 nan 0.000 0.451 716 R N -0.023 120.463 120.500 -0.025 0.000 2.170 716 R HA -0.131 4.210 4.340 0.001 0.000 0.242 716 R C 2.151 178.392 176.300 -0.098 0.000 1.145 716 R CA 0.746 56.819 56.100 -0.046 0.000 0.984 716 R CB -0.362 29.912 30.300 -0.045 0.000 0.869 716 R HN 0.300 nan 8.270 nan 0.000 0.455 717 M N 0.658 120.173 119.600 -0.143 0.000 2.530 717 M HA -0.030 4.451 4.480 0.001 0.000 0.261 717 M C 0.376 176.388 176.300 -0.481 0.000 1.067 717 M CA 1.071 56.162 55.300 -0.349 0.000 1.071 717 M CB 0.050 32.391 32.600 -0.432 0.000 1.405 717 M HN 0.382 nan 8.290 nan 0.000 0.478 718 G N 1.462 110.134 108.800 -0.214 0.000 2.372 718 G HA2 -0.283 3.678 3.960 0.001 0.000 0.290 718 G HA3 -0.283 3.678 3.960 0.001 0.000 0.290 718 G C -0.344 174.471 174.900 -0.142 0.000 0.965 718 G CA -0.204 44.825 45.100 -0.118 0.000 1.263 718 G HN 0.457 nan 8.290 nan 0.000 0.498 719 F N 0.212 120.216 119.950 0.091 0.000 2.418 719 F HA 0.206 4.734 4.527 0.001 0.000 0.341 719 F C 1.247 177.095 175.800 0.080 0.000 1.120 719 F CA -0.460 57.599 58.000 0.099 0.000 1.232 719 F CB 0.711 39.817 39.000 0.177 0.000 1.175 719 F HN 0.159 nan 8.300 nan 0.000 0.569 720 D N 3.905 124.469 120.400 0.274 0.000 2.356 720 D HA -0.088 4.553 4.640 0.001 0.000 0.272 720 D C 1.108 177.505 176.300 0.163 0.000 1.337 720 D CA 0.378 54.478 54.000 0.168 0.000 0.970 720 D CB 0.324 41.203 40.800 0.132 0.000 1.092 720 D HN 0.591 nan 8.370 nan 0.000 0.516 721 D N 1.534 122.025 120.400 0.152 0.000 2.200 721 D HA -0.292 4.349 4.640 0.001 0.000 0.192 721 D C 1.499 177.899 176.300 0.167 0.000 1.008 721 D CA 1.783 55.871 54.000 0.146 0.000 0.872 721 D CB -0.094 40.780 40.800 0.122 0.000 0.923 721 D HN 0.404 nan 8.370 nan 0.000 0.447 722 S N -0.145 115.652 115.700 0.161 0.000 2.427 722 S HA -0.008 4.463 4.470 0.001 0.000 0.224 722 S C 0.988 175.754 174.600 0.276 0.000 1.047 722 S CA -0.247 58.078 58.200 0.209 0.000 0.953 722 S CB 0.079 63.364 63.200 0.142 0.000 0.824 722 S HN 0.230 nan 8.310 nan 0.000 0.502 723 E N 2.232 122.514 120.200 0.138 0.000 2.318 723 E HA 0.399 4.750 4.350 0.001 0.000 0.265 723 E C -2.592 173.860 176.600 -0.246 0.000 1.069 723 E CA -2.546 53.867 56.400 0.023 0.000 0.893 723 E CB 0.341 30.060 29.700 0.032 0.000 1.076 723 E HN 0.205 nan 8.360 nan 0.000 0.414 724 P HA -0.077 nan 4.420 nan 0.000 0.268 724 P C -0.752 176.349 177.300 -0.332 0.000 1.189 724 P CA 0.888 63.599 63.100 -0.648 0.000 0.771 724 P CB 0.400 31.858 31.700 -0.404 0.000 0.822 725 I N 2.047 122.417 120.570 -0.333 0.000 2.433 725 I HA 0.303 4.474 4.170 0.001 0.000 0.292 725 I C 0.245 176.280 176.117 -0.137 0.000 1.001 725 I CA -0.300 60.865 61.300 -0.226 0.000 1.119 725 I CB 1.774 39.519 38.000 -0.425 0.000 1.289 725 I HN 0.245 nan 8.210 nan 0.000 0.438 726 E N 4.840 125.031 120.200 -0.015 0.000 2.373 726 E HA 0.392 4.743 4.350 0.001 0.000 0.251 726 E C -1.385 175.301 176.600 0.143 0.000 0.923 726 E CA -0.584 55.833 56.400 0.030 0.000 0.798 726 E CB 1.710 31.419 29.700 0.015 0.000 1.303 726 E HN 0.527 nan 8.360 nan 0.000 0.412 727 H N 1.967 121.055 119.070 0.029 0.000 3.038 727 H HA 0.227 4.784 4.556 0.001 0.000 0.362 727 H C -2.312 173.054 175.328 0.064 0.000 1.167 727 H CA -1.829 54.277 56.048 0.097 0.000 1.197 727 H CB 1.986 31.892 29.762 0.239 0.000 1.840 727 H HN 0.171 nan 8.280 nan 0.000 0.540 728 P HA -0.239 nan 4.420 nan 0.000 0.214 728 P C 1.853 179.265 177.300 0.186 0.000 1.163 728 P CA 1.213 64.333 63.100 0.033 0.000 0.889 728 P CB 0.153 31.807 31.700 -0.077 0.000 0.790 729 M N -0.434 119.420 119.600 0.423 0.000 2.144 729 M HA -0.142 4.339 4.480 0.001 0.000 0.260 729 M C 1.679 178.076 176.300 0.161 0.000 1.067 729 M CA 1.917 57.381 55.300 0.274 0.000 1.095 729 M CB -0.835 31.929 32.600 0.273 0.000 1.365 729 M HN -0.206 nan 8.290 nan 0.000 0.406 730 V N -0.323 119.706 119.914 0.192 0.000 2.229 730 V HA -0.242 3.879 4.120 0.001 0.000 0.243 730 V C 2.547 178.689 176.094 0.081 0.000 1.042 730 V CA 2.349 64.700 62.300 0.086 0.000 1.000 730 V CB -1.556 30.296 31.823 0.048 0.000 0.637 730 V HN 0.619 nan 8.190 nan 0.000 0.446 731 T N -0.552 114.047 114.554 0.076 0.000 2.881 731 T HA -0.227 4.124 4.350 0.001 0.000 0.270 731 T C 1.996 176.718 174.700 0.037 0.000 1.068 731 T CA 1.519 63.647 62.100 0.046 0.000 1.131 731 T CB -0.277 68.608 68.868 0.027 0.000 0.871 731 T HN 0.365 nan 8.240 nan 0.000 0.479 732 R N 0.699 121.227 120.500 0.047 0.000 2.061 732 R HA -0.065 4.276 4.340 0.001 0.000 0.230 732 R C 3.101 179.418 176.300 0.027 0.000 1.140 732 R CA 1.893 58.012 56.100 0.032 0.000 0.940 732 R CB -0.544 29.781 30.300 0.041 0.000 0.839 732 R HN 0.677 nan 8.270 nan 0.000 0.429 733 S N 0.547 116.265 115.700 0.031 0.000 2.382 733 S HA -0.139 4.332 4.470 0.001 0.000 0.228 733 S C 2.061 176.680 174.600 0.032 0.000 1.027 733 S CA 1.074 59.286 58.200 0.021 0.000 0.991 733 S CB -0.542 62.656 63.200 -0.004 0.000 0.823 733 S HN 0.237 nan 8.310 nan 0.000 0.469 734 I N 1.962 122.559 120.570 0.045 0.000 2.090 734 I HA -0.133 4.038 4.170 0.001 0.000 0.236 734 I C 2.861 178.994 176.117 0.027 0.000 1.064 734 I CA 1.491 62.823 61.300 0.052 0.000 1.324 734 I CB -0.491 37.544 38.000 0.059 0.000 1.044 734 I HN 0.213 nan 8.210 nan 0.000 0.399 735 E N 0.914 121.120 120.200 0.011 0.000 2.219 735 E HA -0.220 4.131 4.350 0.001 0.000 0.198 735 E C 2.210 178.805 176.600 -0.008 0.000 0.998 735 E CA 1.175 57.570 56.400 -0.009 0.000 0.818 735 E CB -0.306 29.385 29.700 -0.015 0.000 0.741 735 E HN 0.497 nan 8.360 nan 0.000 0.477 736 R N -0.177 120.325 120.500 0.004 0.000 2.161 736 R HA 0.128 4.469 4.340 0.001 0.000 0.213 736 R C 2.231 178.540 176.300 0.015 0.000 1.055 736 R CA 0.750 56.852 56.100 0.003 0.000 0.996 736 R CB -0.044 30.260 30.300 0.006 0.000 0.901 736 R HN 0.080 nan 8.270 nan 0.000 0.456 737 A N 1.108 123.948 122.820 0.033 0.000 1.873 737 A HA -0.213 4.108 4.320 0.001 0.000 0.215 737 A C 2.058 179.667 177.584 0.043 0.000 1.186 737 A CA 1.122 53.198 52.037 0.065 0.000 0.616 737 A CB -0.441 18.616 19.000 0.095 0.000 0.823 737 A HN 0.289 nan 8.150 nan 0.000 0.442 738 Q N -0.278 119.530 119.800 0.013 0.000 2.234 738 Q HA -0.223 4.118 4.340 0.001 0.000 0.206 738 Q C 2.029 177.994 176.000 -0.058 0.000 0.980 738 Q CA 2.010 57.795 55.803 -0.029 0.000 0.869 738 Q CB -0.127 28.590 28.738 -0.034 0.000 0.912 738 Q HN 0.691 nan 8.270 nan 0.000 0.436 739 K N -0.281 120.095 120.400 -0.041 0.000 2.167 739 K HA -0.074 4.247 4.320 0.001 0.000 0.203 739 K C 2.075 178.645 176.600 -0.051 0.000 1.052 739 K CA 0.406 56.660 56.287 -0.054 0.000 0.956 739 K CB 0.118 32.589 32.500 -0.048 0.000 0.735 739 K HN 0.108 nan 8.250 nan 0.000 0.451 740 R N 0.426 120.915 120.500 -0.019 0.000 2.080 740 R HA -0.121 4.220 4.340 0.001 0.000 0.236 740 R C 2.231 178.517 176.300 -0.024 0.000 1.137 740 R CA 1.817 57.923 56.100 0.009 0.000 0.943 740 R CB -0.506 29.840 30.300 0.076 0.000 0.846 740 R HN 0.102 nan 8.270 nan 0.000 0.431 741 V N 0.896 120.739 119.914 -0.118 0.000 2.255 741 V HA -0.244 3.876 4.120 0.001 0.000 0.247 741 V C 2.119 178.077 176.094 -0.228 0.000 1.051 741 V CA 1.868 63.943 62.300 -0.375 0.000 1.018 741 V CB -0.717 30.650 31.823 -0.759 0.000 0.641 741 V HN 0.346 nan 8.190 nan 0.000 0.445 742 E N 0.191 120.297 120.200 -0.157 0.000 2.065 742 E HA -0.287 4.063 4.350 0.001 0.000 0.201 742 E C 2.162 178.742 176.600 -0.034 0.000 1.016 742 E CA 1.786 58.132 56.400 -0.090 0.000 0.818 742 E CB -0.296 29.355 29.700 -0.081 0.000 0.749 742 E HN 0.610 nan 8.360 nan 0.000 0.453 743 D N -0.128 120.241 120.400 -0.052 0.000 2.144 743 D HA -0.165 4.476 4.640 0.001 0.000 0.199 743 D C 2.034 178.365 176.300 0.052 0.000 0.984 743 D CA 0.742 54.719 54.000 -0.039 0.000 0.834 743 D CB -0.093 40.658 40.800 -0.081 0.000 0.955 743 D HN 0.090 nan 8.370 nan 0.000 0.465 744 R N 0.776 121.293 120.500 0.029 0.000 2.070 744 R HA -0.130 4.210 4.340 0.001 0.000 0.233 744 R C 1.877 178.221 176.300 0.072 0.000 1.137 744 R CA 1.360 57.497 56.100 0.063 0.000 0.945 744 R CB -0.043 30.307 30.300 0.083 0.000 0.845 744 R HN 0.125 nan 8.270 nan 0.000 0.430 745 N N 0.389 119.108 118.700 0.033 0.000 2.149 745 N HA -0.226 4.514 4.740 0.001 0.000 0.188 745 N C 1.662 177.216 175.510 0.073 0.000 1.019 745 N CA 1.430 54.498 53.050 0.030 0.000 0.857 745 N CB -0.573 37.907 38.487 -0.013 0.000 0.997 745 N HN 0.238 nan 8.380 nan 0.000 0.426 746 F N 1.862 121.777 119.950 -0.057 0.000 2.095 746 F HA -0.193 4.334 4.527 0.001 0.000 0.298 746 F C 2.353 178.125 175.800 -0.046 0.000 1.104 746 F CA 1.629 59.595 58.000 -0.058 0.000 1.232 746 F CB -0.243 38.717 39.000 -0.067 0.000 0.987 746 F HN 0.050 nan 8.300 nan 0.000 0.475 747 A N 0.776 123.766 122.820 0.284 0.000 1.858 747 A HA -0.191 4.130 4.320 0.001 0.000 0.216 747 A C 2.274 179.865 177.584 0.013 0.000 1.190 747 A CA 1.940 54.069 52.037 0.152 0.000 0.617 747 A CB -1.329 17.747 19.000 0.127 0.000 0.827 747 A HN 0.511 nan 8.150 nan 0.000 0.443 748 I N -0.129 120.449 120.570 0.014 0.000 2.300 748 I HA -0.345 3.825 4.170 0.001 0.000 0.252 748 I C 2.757 178.835 176.117 -0.065 0.000 1.119 748 I CA 2.062 63.349 61.300 -0.022 0.000 1.384 748 I CB -0.195 37.808 38.000 0.004 0.000 1.062 748 I HN 0.563 nan 8.210 nan 0.000 0.426 749 R N 1.160 121.602 120.500 -0.096 0.000 2.189 749 R HA -0.105 4.236 4.340 0.001 0.000 0.203 749 R C 2.159 178.355 176.300 -0.174 0.000 1.012 749 R CA 0.880 56.906 56.100 -0.122 0.000 1.015 749 R CB -0.363 29.859 30.300 -0.131 0.000 0.938 749 R HN 0.166 nan 8.270 nan 0.000 0.472 750 K N 1.340 121.594 120.400 -0.245 0.000 2.097 750 K HA -0.241 4.080 4.320 0.001 0.000 0.206 750 K C 2.222 178.748 176.600 -0.122 0.000 1.049 750 K CA 1.939 58.085 56.287 -0.236 0.000 0.933 750 K CB -0.022 32.354 32.500 -0.207 0.000 0.717 750 K HN 0.404 nan 8.250 nan 0.000 0.442 751 Q N -0.017 119.724 119.800 -0.099 0.000 2.137 751 Q HA -0.108 4.233 4.340 0.001 0.000 0.198 751 Q C 2.028 177.973 176.000 -0.091 0.000 0.960 751 Q CA 0.638 56.390 55.803 -0.086 0.000 0.847 751 Q CB 0.027 28.685 28.738 -0.134 0.000 0.915 751 Q HN 0.302 nan 8.270 nan 0.000 0.448 752 L N 1.148 122.303 121.223 -0.113 0.000 2.083 752 L HA -0.148 4.193 4.340 0.001 0.000 0.209 752 L C 2.196 179.093 176.870 0.045 0.000 1.083 752 L CA 1.406 56.200 54.840 -0.076 0.000 0.752 752 L CB -1.025 41.002 42.059 -0.053 0.000 0.899 752 L HN 0.487 nan 8.230 nan 0.000 0.433 753 L N -0.733 120.506 121.223 0.026 0.000 2.217 753 L HA -0.173 4.168 4.340 0.001 0.000 0.211 753 L C 2.335 179.279 176.870 0.123 0.000 1.107 753 L CA 1.159 56.029 54.840 0.049 0.000 0.783 753 L CB -0.335 41.704 42.059 -0.033 0.000 0.919 753 L HN 0.432 nan 8.230 nan 0.000 0.442 754 Q N -0.742 119.154 119.800 0.160 0.000 1.993 754 Q HA -0.211 4.130 4.340 0.001 0.000 0.202 754 Q C 2.119 178.547 176.000 0.714 0.000 0.984 754 Q CA 1.754 57.713 55.803 0.260 0.000 0.837 754 Q CB -0.180 28.575 28.738 0.028 0.000 0.902 754 Q HN 0.358 nan 8.270 nan 0.000 0.423 755 F N 1.569 121.758 119.950 0.399 0.000 2.010 755 F HA -0.229 4.299 4.527 0.001 0.000 0.296 755 F C 2.133 177.994 175.800 0.102 0.000 1.146 755 F CA 1.294 59.387 58.000 0.156 0.000 1.181 755 F CB -0.754 38.201 39.000 -0.075 0.000 0.965 755 F HN 0.138 nan 8.300 nan 0.000 0.480 756 D N -0.077 120.492 120.400 0.281 0.000 2.411 756 D HA -0.169 4.472 4.640 0.001 0.000 0.226 756 D C 1.516 177.889 176.300 0.123 0.000 0.988 756 D CA 0.723 54.815 54.000 0.153 0.000 0.938 756 D CB -0.246 40.618 40.800 0.107 0.000 0.883 756 D HN 0.398 nan 8.370 nan 0.000 0.525 757 D N -0.613 119.882 120.400 0.158 0.000 2.137 757 D HA -0.094 4.547 4.640 0.001 0.000 0.202 757 D C 2.239 178.593 176.300 0.089 0.000 0.970 757 D CA 0.264 54.334 54.000 0.115 0.000 0.837 757 D CB 0.486 41.365 40.800 0.132 0.000 0.981 757 D HN 0.075 nan 8.370 nan 0.000 0.475 758 V N 2.174 122.157 119.914 0.115 0.000 2.250 758 V HA -0.274 3.847 4.120 0.001 0.000 0.250 758 V C 2.641 178.720 176.094 -0.025 0.000 1.060 758 V CA 1.334 63.653 62.300 0.031 0.000 1.030 758 V CB -0.476 31.335 31.823 -0.020 0.000 0.643 758 V HN 0.295 nan 8.190 nan 0.000 0.445 759 L N -0.717 120.508 121.223 0.004 0.000 2.131 759 L HA -0.155 4.186 4.340 0.001 0.000 0.210 759 L C 2.644 179.494 176.870 -0.033 0.000 1.092 759 L CA 1.828 56.657 54.840 -0.019 0.000 0.759 759 L CB -1.112 40.955 42.059 0.013 0.000 0.903 759 L HN 0.384 nan 8.230 nan 0.000 0.435 760 S N 0.354 116.048 115.700 -0.009 0.000 2.359 760 S HA -0.229 4.241 4.470 0.001 0.000 0.222 760 S C 2.098 176.670 174.600 -0.048 0.000 1.038 760 S CA 1.681 59.875 58.200 -0.011 0.000 1.051 760 S CB -0.047 63.168 63.200 0.026 0.000 0.944 760 S HN 0.386 nan 8.310 nan 0.000 0.433 761 R N 0.365 120.829 120.500 -0.060 0.000 2.127 761 R HA -0.083 4.257 4.340 0.001 0.000 0.238 761 R C 2.608 178.797 176.300 -0.185 0.000 1.134 761 R CA 1.576 57.626 56.100 -0.083 0.000 0.975 761 R CB -0.298 29.959 30.300 -0.072 0.000 0.865 761 R HN 0.423 nan 8.270 nan 0.000 0.447 762 Q N 0.149 119.768 119.800 -0.301 0.000 2.079 762 Q HA -0.046 4.295 4.340 0.001 0.000 0.200 762 Q C 2.022 177.907 176.000 -0.192 0.000 0.974 762 Q CA 1.419 56.902 55.803 -0.534 0.000 0.840 762 Q CB 0.138 28.628 28.738 -0.414 0.000 0.898 762 Q HN 0.197 nan 8.270 nan 0.000 0.430 763 R N -0.080 120.339 120.500 -0.135 0.000 2.062 763 R HA -0.163 4.178 4.340 0.001 0.000 0.231 763 R C 2.186 178.272 176.300 -0.356 0.000 1.136 763 R CA 1.428 57.280 56.100 -0.412 0.000 0.948 763 R CB -0.260 29.715 30.300 -0.542 0.000 0.845 763 R HN 0.388 nan 8.270 nan 0.000 0.430 764 E N 0.295 120.408 120.200 -0.145 0.000 2.132 764 E HA -0.289 4.062 4.350 0.001 0.000 0.218 764 E C 1.758 178.366 176.600 0.013 0.000 1.058 764 E CA 2.558 58.952 56.400 -0.010 0.000 0.882 764 E CB -0.100 29.602 29.700 0.004 0.000 0.774 764 E HN 0.100 nan 8.360 nan 0.000 0.467 765 V N 1.345 121.264 119.914 0.009 0.000 2.216 765 V HA -0.287 3.834 4.120 0.001 0.000 0.242 765 V C 2.533 178.622 176.094 -0.008 0.000 1.042 765 V CA 2.122 64.454 62.300 0.053 0.000 0.991 765 V CB -0.581 31.361 31.823 0.198 0.000 0.633 765 V HN 0.401 nan 8.190 nan 0.000 0.449 766 I N -1.095 119.429 120.570 -0.077 0.000 2.300 766 I HA -0.364 3.807 4.170 0.001 0.000 0.252 766 I C 2.406 178.408 176.117 -0.192 0.000 1.119 766 I CA 2.210 63.359 61.300 -0.253 0.000 1.384 766 I CB -0.641 36.947 38.000 -0.685 0.000 1.062 766 I HN 0.420 nan 8.210 nan 0.000 0.426 767 Y N 0.744 120.841 120.300 -0.339 0.000 2.163 767 Y HA -0.196 4.354 4.550 0.001 0.000 0.288 767 Y C 2.782 178.570 175.900 -0.187 0.000 1.136 767 Y CA 0.673 58.608 58.100 -0.275 0.000 1.147 767 Y CB -0.065 38.276 38.460 -0.199 0.000 0.987 767 Y HN 0.145 nan 8.280 nan 0.000 0.509 768 A N -0.273 122.569 122.820 0.037 0.000 1.968 768 A HA -0.212 4.108 4.320 0.001 0.000 0.217 768 A C 2.025 179.588 177.584 -0.036 0.000 1.169 768 A CA 1.320 53.353 52.037 -0.007 0.000 0.638 768 A CB -0.661 18.350 19.000 0.018 0.000 0.812 768 A HN 0.523 nan 8.150 nan 0.000 0.446 769 Q N -0.426 119.348 119.800 -0.044 0.000 2.291 769 Q HA -0.148 4.193 4.340 0.001 0.000 0.205 769 Q C 2.182 178.138 176.000 -0.073 0.000 0.970 769 Q CA 1.290 57.060 55.803 -0.056 0.000 0.876 769 Q CB -0.108 28.590 28.738 -0.066 0.000 0.935 769 Q HN 0.675 nan 8.270 nan 0.000 0.455 770 R N -0.161 120.282 120.500 -0.095 0.000 2.127 770 R HA -0.000 4.341 4.340 0.001 0.000 0.217 770 R C 1.968 178.210 176.300 -0.097 0.000 1.074 770 R CA 0.676 56.710 56.100 -0.110 0.000 0.991 770 R CB 0.189 30.395 30.300 -0.156 0.000 0.895 770 R HN 0.206 nan 8.270 nan 0.000 0.450 771 R N 0.077 120.521 120.500 -0.093 0.000 2.127 771 R HA -0.038 4.303 4.340 0.001 0.000 0.217 771 R C 2.126 178.399 176.300 -0.045 0.000 1.074 771 R CA 0.407 56.460 56.100 -0.078 0.000 0.991 771 R CB -0.225 30.023 30.300 -0.086 0.000 0.895 771 R HN 0.113 nan 8.270 nan 0.000 0.450 772 L N 1.078 122.277 121.223 -0.040 0.000 2.083 772 L HA -0.115 4.226 4.340 0.001 0.000 0.209 772 L C 1.710 178.565 176.870 -0.025 0.000 1.083 772 L CA 1.653 56.477 54.840 -0.027 0.000 0.752 772 L CB -0.200 41.844 42.059 -0.025 0.000 0.899 772 L HN 0.019 nan 8.230 nan 0.000 0.433 773 I N -1.339 119.211 120.570 -0.034 0.000 2.617 773 I HA -0.176 3.994 4.170 0.001 0.000 0.256 773 I C 2.273 178.377 176.117 -0.022 0.000 1.167 773 I CA 1.032 62.315 61.300 -0.028 0.000 1.469 773 I CB -0.367 37.611 38.000 -0.037 0.000 1.098 773 I HN 0.185 nan 8.210 nan 0.000 0.436 774 L N -1.066 120.140 121.223 -0.029 0.000 2.307 774 L HA -0.031 4.309 4.340 0.001 0.000 0.211 774 L C 2.196 179.063 176.870 -0.005 0.000 1.099 774 L CA 0.382 55.210 54.840 -0.020 0.000 0.816 774 L CB -0.004 42.033 42.059 -0.036 0.000 0.952 774 L HN 0.190 nan 8.230 nan 0.000 0.455 775 L N 0.593 121.813 121.223 -0.005 0.000 2.191 775 L HA -0.020 4.321 4.340 0.001 0.000 0.212 775 L C 1.353 178.220 176.870 -0.005 0.000 1.103 775 L CA 1.448 56.291 54.840 0.005 0.000 0.769 775 L CB -0.646 41.415 42.059 0.004 0.000 0.908 775 L HN 0.363 nan 8.230 nan 0.000 0.438 776 G N 0.077 108.873 108.800 -0.007 0.000 2.225 776 G HA2 -0.350 3.610 3.960 0.001 0.000 0.264 776 G HA3 -0.350 3.610 3.960 0.001 0.000 0.264 776 G C 0.404 175.298 174.900 -0.009 0.000 1.060 776 G CA 0.390 45.485 45.100 -0.008 0.000 0.833 776 G HN 0.396 nan 8.290 nan 0.000 0.498 777 K N 0.815 121.209 120.400 -0.009 0.000 2.110 777 K HA 0.159 4.480 4.320 0.001 0.000 0.260 777 K C 1.329 177.925 176.600 -0.007 0.000 1.126 777 K CA -0.169 56.112 56.287 -0.009 0.000 1.005 777 K CB 0.192 32.687 32.500 -0.009 0.000 1.336 777 K HN 0.332 nan 8.250 nan 0.000 0.369 778 D N 2.043 122.439 120.400 -0.007 0.000 2.191 778 D HA -0.317 4.323 4.640 0.001 0.000 0.190 778 D C 1.492 177.791 176.300 -0.002 0.000 1.007 778 D CA 1.676 55.674 54.000 -0.005 0.000 0.865 778 D CB 0.297 41.093 40.800 -0.006 0.000 0.929 778 D HN 0.670 nan 8.370 nan 0.000 0.447 779 E N 0.819 121.017 120.200 -0.003 0.000 2.049 779 E HA -0.212 4.139 4.350 0.001 0.000 0.198 779 E C 1.824 178.424 176.600 -0.000 0.000 1.007 779 E CA 1.170 57.570 56.400 -0.001 0.000 0.809 779 E CB 0.141 29.840 29.700 -0.002 0.000 0.749 779 E HN 0.244 nan 8.360 nan 0.000 0.450 780 E N 0.001 120.199 120.200 -0.003 0.000 2.347 780 E HA -0.093 4.257 4.350 0.001 0.000 0.196 780 E C 2.200 178.797 176.600 -0.006 0.000 1.008 780 E CA 0.617 57.014 56.400 -0.005 0.000 0.852 780 E CB 0.324 30.020 29.700 -0.007 0.000 0.783 780 E HN 0.256 nan 8.360 nan 0.000 0.505 781 V N 1.246 121.158 119.914 -0.003 0.000 2.379 781 V HA -0.163 3.957 4.120 0.001 0.000 0.243 781 V C 2.438 178.537 176.094 0.008 0.000 1.035 781 V CA 1.456 63.755 62.300 -0.002 0.000 1.035 781 V CB -0.333 31.490 31.823 -0.000 0.000 0.673 781 V HN 0.106 nan 8.190 nan 0.000 0.457 782 K N -0.101 120.307 120.400 0.014 0.000 2.057 782 K HA -0.174 4.147 4.320 0.001 0.000 0.207 782 K C 2.250 178.869 176.600 0.031 0.000 1.049 782 K CA 1.393 57.700 56.287 0.034 0.000 0.931 782 K CB -0.081 32.437 32.500 0.029 0.000 0.714 782 K HN 0.409 nan 8.250 nan 0.000 0.440 783 E N 0.280 120.488 120.200 0.013 0.000 2.033 783 E HA -0.245 4.106 4.350 0.001 0.000 0.199 783 E C 2.029 178.623 176.600 -0.010 0.000 1.011 783 E CA 1.472 57.874 56.400 0.004 0.000 0.815 783 E CB -0.377 29.322 29.700 -0.001 0.000 0.755 783 E HN 0.418 nan 8.360 nan 0.000 0.451 784 A N 1.669 124.481 122.820 -0.014 0.000 1.883 784 A HA -0.161 4.160 4.320 0.001 0.000 0.217 784 A C 2.478 180.037 177.584 -0.042 0.000 1.186 784 A CA 2.466 54.486 52.037 -0.028 0.000 0.624 784 A CB -0.755 18.229 19.000 -0.027 0.000 0.822 784 A HN 0.301 nan 8.150 nan 0.000 0.444 785 A N -0.001 122.805 122.820 -0.024 0.000 1.883 785 A HA -0.151 4.170 4.320 0.001 0.000 0.217 785 A C 2.126 179.646 177.584 -0.106 0.000 1.186 785 A CA 1.688 53.707 52.037 -0.030 0.000 0.624 785 A CB -0.688 18.346 19.000 0.055 0.000 0.822 785 A HN 0.536 nan 8.150 nan 0.000 0.444 786 I N -0.328 120.196 120.570 -0.076 0.000 2.286 786 I HA -0.201 3.970 4.170 0.001 0.000 0.248 786 I C 2.663 178.693 176.117 -0.145 0.000 1.115 786 I CA 1.020 62.231 61.300 -0.149 0.000 1.392 786 I CB -0.760 37.213 38.000 -0.045 0.000 1.065 786 I HN 0.409 nan 8.210 nan 0.000 0.418 787 G N 0.780 109.524 108.800 -0.092 0.000 2.450 787 G HA2 -0.251 3.709 3.960 0.001 0.000 0.220 787 G HA3 -0.251 3.709 3.960 0.001 0.000 0.220 787 G C 1.716 176.556 174.900 -0.100 0.000 1.130 787 G CA 0.611 45.663 45.100 -0.080 0.000 0.760 787 G HN 0.285 nan 8.290 nan 0.000 0.557 788 M N -0.056 119.467 119.600 -0.128 0.000 2.349 788 M HA 0.036 4.516 4.480 0.001 0.000 0.266 788 M C 2.500 178.705 176.300 -0.158 0.000 1.076 788 M CA 0.475 55.693 55.300 -0.137 0.000 1.126 788 M CB 0.193 32.708 32.600 -0.142 0.000 1.392 788 M HN 0.116 nan 8.290 nan 0.000 0.440 789 V N 0.032 119.814 119.914 -0.219 0.000 2.453 789 V HA -0.191 3.930 4.120 0.001 0.000 0.247 789 V C 1.947 177.974 176.094 -0.112 0.000 1.048 789 V CA 1.565 63.736 62.300 -0.216 0.000 1.049 789 V CB -0.773 30.817 31.823 -0.388 0.000 0.672 789 V HN 0.450 nan 8.190 nan 0.000 0.457 790 E N 0.481 120.618 120.200 -0.105 0.000 2.033 790 E HA -0.290 4.061 4.350 0.001 0.000 0.199 790 E C 2.279 178.850 176.600 -0.049 0.000 1.011 790 E CA 1.975 58.338 56.400 -0.062 0.000 0.815 790 E CB -0.148 29.519 29.700 -0.056 0.000 0.755 790 E HN 0.677 nan 8.360 nan 0.000 0.451 791 E N -0.165 120.000 120.200 -0.059 0.000 2.106 791 E HA -0.120 4.231 4.350 0.001 0.000 0.192 791 E C 2.122 178.692 176.600 -0.050 0.000 0.984 791 E CA 1.510 57.880 56.400 -0.051 0.000 0.806 791 E CB -0.048 29.616 29.700 -0.058 0.000 0.750 791 E HN 0.152 nan 8.360 nan 0.000 0.458 792 T N 0.585 115.103 114.554 -0.060 0.000 2.569 792 T HA -0.182 4.169 4.350 0.001 0.000 0.263 792 T C 2.073 176.754 174.700 -0.033 0.000 1.074 792 T CA 1.637 63.705 62.100 -0.053 0.000 1.176 792 T CB -0.572 68.260 68.868 -0.060 0.000 0.863 792 T HN -0.039 nan 8.240 nan 0.000 0.410 793 V N 2.190 122.092 119.914 -0.019 0.000 2.250 793 V HA -0.282 3.839 4.120 0.001 0.000 0.250 793 V C 2.838 178.931 176.094 -0.002 0.000 1.060 793 V CA 1.970 64.269 62.300 -0.001 0.000 1.030 793 V CB -1.556 30.273 31.823 0.011 0.000 0.643 793 V HN 0.615 nan 8.190 nan 0.000 0.445 794 A N 0.135 122.950 122.820 -0.009 0.000 1.849 794 A HA -0.304 4.016 4.320 0.001 0.000 0.216 794 A C 2.442 180.022 177.584 -0.007 0.000 1.225 794 A CA 2.946 54.980 52.037 -0.006 0.000 0.653 794 A CB -1.313 17.679 19.000 -0.013 0.000 0.844 794 A HN 0.521 nan 8.150 nan 0.000 0.453 795 S N -0.401 115.285 115.700 -0.022 0.000 2.419 795 S HA -0.103 4.368 4.470 0.001 0.000 0.235 795 S C 1.772 176.343 174.600 -0.049 0.000 1.019 795 S CA 1.153 59.333 58.200 -0.034 0.000 0.982 795 S CB -0.513 62.662 63.200 -0.042 0.000 0.789 795 S HN 0.439 nan 8.310 nan 0.000 0.490 796 L N 0.976 122.176 121.223 -0.037 0.000 1.937 796 L HA -0.197 4.144 4.340 0.001 0.000 0.213 796 L C 2.751 179.617 176.870 -0.008 0.000 1.077 796 L CA 1.719 56.532 54.840 -0.044 0.000 0.758 796 L CB -0.852 41.197 42.059 -0.017 0.000 0.888 796 L HN 0.377 nan 8.230 nan 0.000 0.433 797 A N -0.137 122.719 122.820 0.060 0.000 1.865 797 A HA -0.308 4.013 4.320 0.001 0.000 0.217 797 A C 2.105 179.790 177.584 0.168 0.000 1.191 797 A CA 2.013 54.139 52.037 0.150 0.000 0.623 797 A CB -0.895 18.163 19.000 0.096 0.000 0.826 797 A HN 0.677 nan 8.150 nan 0.000 0.444 798 E N -0.025 120.220 120.200 0.075 0.000 2.233 798 E HA -0.301 4.050 4.350 0.001 0.000 0.199 798 E C 1.582 178.204 176.600 0.037 0.000 1.004 798 E CA 1.373 57.806 56.400 0.055 0.000 0.819 798 E CB -0.396 29.316 29.700 0.019 0.000 0.738 798 E HN 0.560 nan 8.360 nan 0.000 0.478 799 N N 0.316 118.991 118.700 -0.042 0.000 2.096 799 N HA -0.214 4.527 4.740 0.001 0.000 0.195 799 N C 1.385 176.817 175.510 -0.131 0.000 1.017 799 N CA 2.030 54.960 53.050 -0.200 0.000 0.870 799 N CB -0.218 37.973 38.487 -0.493 0.000 1.024 799 N HN 0.591 nan 8.380 nan 0.000 0.434 800 F N -3.276 116.565 119.950 -0.181 0.000 2.899 800 F HA 0.389 4.917 4.527 0.001 0.000 0.337 800 F C 1.120 176.846 175.800 -0.124 0.000 1.129 800 F CA -0.392 57.450 58.000 -0.263 0.000 1.128 800 F CB -0.220 38.432 39.000 -0.580 0.000 1.154 800 F HN -0.206 nan 8.300 nan 0.000 0.531 801 L N 2.055 123.413 121.223 0.225 0.000 2.592 801 L HA 0.171 4.512 4.340 0.001 0.000 0.227 801 L C -0.058 176.859 176.870 0.078 0.000 1.127 801 L CA 0.263 55.156 54.840 0.090 0.000 0.884 801 L CB -0.157 41.953 42.059 0.085 0.000 1.065 801 L HN 0.300 nan 8.230 nan 0.000 0.457 802 N N 0.027 118.780 118.700 0.089 0.000 2.776 802 N HA 0.358 5.099 4.740 0.001 0.000 0.245 802 N C -2.856 172.702 175.510 0.081 0.000 1.121 802 N CA -1.259 51.834 53.050 0.071 0.000 0.852 802 N CB 1.346 39.864 38.487 0.052 0.000 1.142 802 N HN -0.133 nan 8.380 nan 0.000 0.514 803 P HA 0.491 nan 4.420 nan 0.000 0.309 803 P C -0.086 177.262 177.300 0.081 0.000 1.302 803 P CA -0.489 62.680 63.100 0.115 0.000 0.835 803 P CB 1.861 33.664 31.700 0.173 0.000 1.324 804 E N -1.051 119.177 120.200 0.047 0.000 2.290 804 E HA 0.123 4.474 4.350 0.001 0.000 0.199 804 E C 0.089 176.547 176.600 -0.237 0.000 0.912 804 E CA 0.453 56.821 56.400 -0.054 0.000 0.924 804 E CB 0.101 29.789 29.700 -0.021 0.000 0.901 804 E HN 0.068 nan 8.360 nan 0.000 0.487 805 V N 4.784 124.626 119.914 -0.120 0.000 2.387 805 V HA -0.014 4.107 4.120 0.001 0.000 0.260 805 V C 1.335 177.365 176.094 -0.106 0.000 1.054 805 V CA -0.136 62.067 62.300 -0.162 0.000 0.967 805 V CB 0.115 31.898 31.823 -0.068 0.000 1.036 805 V HN 0.228 nan 8.190 nan 0.000 0.481 806 H N 6.420 125.499 119.070 0.016 0.000 3.519 806 H HA -0.143 4.413 4.556 0.001 0.000 0.287 806 H C -0.678 174.647 175.328 -0.005 0.000 0.984 806 H CA 2.184 58.236 56.048 0.007 0.000 1.056 806 H CB -1.421 28.339 29.762 -0.003 0.000 1.804 806 H HN 0.464 nan 8.280 nan 0.000 1.091 807 P HA 0.018 nan 4.420 nan 0.000 0.214 807 P C 1.373 178.652 177.300 -0.034 0.000 1.152 807 P CA 0.978 64.085 63.100 0.011 0.000 0.874 807 P CB 0.161 31.845 31.700 -0.027 0.000 0.782 808 E N 0.494 120.668 120.200 -0.042 0.000 2.170 808 E HA -0.284 4.067 4.350 0.001 0.000 0.229 808 E C 1.451 178.000 176.600 -0.086 0.000 1.074 808 E CA 2.145 58.504 56.400 -0.069 0.000 0.930 808 E CB -1.460 28.203 29.700 -0.062 0.000 0.806 808 E HN 0.280 nan 8.360 nan 0.000 0.478 809 D N -0.606 119.733 120.400 -0.102 0.000 2.498 809 D HA -0.175 4.466 4.640 0.001 0.000 0.250 809 D C 0.011 176.217 176.300 -0.157 0.000 1.304 809 D CA 1.954 55.822 54.000 -0.220 0.000 1.093 809 D CB -0.188 40.419 40.800 -0.323 0.000 1.746 809 D HN 0.237 nan 8.370 nan 0.000 0.594 810 W N -0.069 121.174 121.300 -0.094 0.000 2.417 810 W HA 0.535 5.196 4.660 0.001 0.000 0.315 810 W C -0.300 176.066 176.519 -0.255 0.000 1.045 810 W CA -0.744 56.507 57.345 -0.158 0.000 1.221 810 W CB 0.867 30.219 29.460 -0.180 0.000 1.309 810 W HN -0.005 nan 8.180 nan 0.000 0.453 811 D N 0.700 121.126 120.400 0.043 0.000 2.526 811 D HA -0.042 4.599 4.640 0.001 0.000 0.293 811 D C 1.762 178.074 176.300 0.020 0.000 1.081 811 D CA -0.110 53.902 54.000 0.020 0.000 0.924 811 D CB -0.002 40.921 40.800 0.205 0.000 1.498 811 D HN 0.227 nan 8.370 nan 0.000 0.497 812 L N 1.776 123.037 121.223 0.065 0.000 2.141 812 L HA -0.030 4.310 4.340 0.001 0.000 0.209 812 L C 1.732 178.627 176.870 0.042 0.000 1.094 812 L CA 1.642 56.511 54.840 0.049 0.000 0.763 812 L CB -0.418 41.675 42.059 0.056 0.000 0.908 812 L HN 0.028 nan 8.230 nan 0.000 0.437 813 E N -1.277 118.949 120.200 0.044 0.000 2.285 813 E HA -0.036 4.315 4.350 0.001 0.000 0.194 813 E C 1.982 178.680 176.600 0.163 0.000 0.997 813 E CA 0.978 57.458 56.400 0.133 0.000 0.845 813 E CB -0.779 29.067 29.700 0.243 0.000 0.782 813 E HN 0.491 nan 8.360 nan 0.000 0.491 814 G N 1.003 109.706 108.800 -0.162 0.000 2.623 814 G HA2 0.043 4.003 3.960 0.001 0.000 0.214 814 G HA3 0.043 4.003 3.960 0.001 0.000 0.214 814 G C 1.613 176.543 174.900 0.050 0.000 1.138 814 G CA -0.011 45.007 45.100 -0.137 0.000 0.794 814 G HN 0.140 nan 8.290 nan 0.000 0.535 815 L N -0.523 120.715 121.223 0.025 0.000 2.102 815 L HA 0.194 4.535 4.340 0.001 0.000 0.202 815 L C 2.668 179.559 176.870 0.035 0.000 1.076 815 L CA 0.826 55.683 54.840 0.028 0.000 0.761 815 L CB -0.123 41.944 42.059 0.014 0.000 0.921 815 L HN 0.034 nan 8.230 nan 0.000 0.444 816 K N 0.561 120.993 120.400 0.052 0.000 2.097 816 K HA -0.042 4.279 4.320 0.001 0.000 0.205 816 K C 2.038 178.669 176.600 0.051 0.000 1.050 816 K CA 1.333 57.647 56.287 0.045 0.000 0.938 816 K CB -0.302 32.238 32.500 0.066 0.000 0.718 816 K HN 0.214 nan 8.250 nan 0.000 0.442 817 A N -0.727 122.157 122.820 0.106 0.000 1.940 817 A HA -0.160 4.161 4.320 0.001 0.000 0.219 817 A C 2.305 179.918 177.584 0.047 0.000 1.176 817 A CA 2.313 54.407 52.037 0.095 0.000 0.631 817 A CB -0.977 18.127 19.000 0.174 0.000 0.814 817 A HN 0.385 nan 8.150 nan 0.000 0.446 818 T N -1.204 113.382 114.554 0.054 0.000 3.067 818 T HA 0.105 4.456 4.350 0.001 0.000 0.257 818 T C 1.589 176.270 174.700 -0.031 0.000 1.105 818 T CA 0.699 62.808 62.100 0.014 0.000 1.104 818 T CB -0.243 68.642 68.868 0.028 0.000 0.925 818 T HN 0.198 nan 8.240 nan 0.000 0.498 819 L N 0.883 122.088 121.223 -0.030 0.000 2.131 819 L HA 0.240 4.581 4.340 0.001 0.000 0.206 819 L C 1.998 178.811 176.870 -0.094 0.000 1.087 819 L CA 1.180 55.982 54.840 -0.063 0.000 0.767 819 L CB -0.560 41.469 42.059 -0.049 0.000 0.917 819 L HN 0.264 nan 8.230 nan 0.000 0.441 820 L N -0.755 120.413 121.223 -0.091 0.000 2.023 820 L HA -0.153 4.187 4.340 0.001 0.000 0.205 820 L C 1.741 178.514 176.870 -0.162 0.000 1.073 820 L CA 1.772 56.520 54.840 -0.155 0.000 0.745 820 L CB -0.617 41.347 42.059 -0.159 0.000 0.900 820 L HN 0.187 nan 8.230 nan 0.000 0.435 821 D N -0.736 119.601 120.400 -0.106 0.000 2.351 821 D HA -0.054 4.587 4.640 0.001 0.000 0.216 821 D C -0.112 176.146 176.300 -0.070 0.000 0.968 821 D CA 1.096 55.046 54.000 -0.084 0.000 0.899 821 D CB 0.003 40.778 40.800 -0.042 0.000 0.907 821 D HN 0.327 nan 8.370 nan 0.000 0.514 822 T N -0.455 114.038 114.554 -0.102 0.000 3.187 822 T HA 0.479 4.829 4.350 0.001 0.000 0.328 822 T C 0.943 175.536 174.700 -0.177 0.000 0.951 822 T CA -0.360 61.651 62.100 -0.148 0.000 1.049 822 T CB 1.635 70.392 68.868 -0.185 0.000 1.015 822 T HN -0.066 nan 8.240 nan 0.000 0.461 823 A N 4.901 127.618 122.820 -0.171 0.000 1.896 823 A HA -0.009 4.312 4.320 0.001 0.000 0.220 823 A C -1.053 176.436 177.584 -0.159 0.000 1.206 823 A CA 1.429 53.374 52.037 -0.155 0.000 0.647 823 A CB -1.680 17.243 19.000 -0.128 0.000 0.828 823 A HN 0.547 nan 8.150 nan 0.000 0.455 824 P HA 0.198 nan 4.420 nan 0.000 0.272 824 P C -0.353 176.860 177.300 -0.145 0.000 1.243 824 P CA 0.325 63.314 63.100 -0.185 0.000 0.803 824 P CB 0.213 31.756 31.700 -0.263 0.000 0.974 825 Q N -0.214 119.517 119.800 -0.113 0.000 2.482 825 Q HA 0.787 5.128 4.340 0.001 0.000 0.286 825 Q C -1.915 174.043 176.000 -0.070 0.000 1.007 825 Q CA -1.136 54.615 55.803 -0.087 0.000 0.801 825 Q CB 1.771 30.461 28.738 -0.079 0.000 1.455 825 Q HN 0.303 nan 8.270 nan 0.000 0.398 826 L N 0.495 121.684 121.223 -0.057 0.000 2.588 826 L HA 0.393 4.734 4.340 0.001 0.000 0.263 826 L C -1.187 175.656 176.870 -0.045 0.000 0.935 826 L CA 0.243 55.057 54.840 -0.042 0.000 0.891 826 L CB 2.258 44.310 42.059 -0.011 0.000 1.318 826 L HN 0.965 nan 8.230 nan 0.000 0.409 827 Q N 0.935 120.687 119.800 -0.079 0.000 1.977 827 Q HA 0.188 4.528 4.340 0.001 0.000 0.214 827 Q C -0.064 175.864 176.000 -0.120 0.000 0.740 827 Q CA 0.198 55.950 55.803 -0.084 0.000 0.893 827 Q CB 0.833 29.512 28.738 -0.098 0.000 1.203 827 Q HN 0.851 nan 8.270 nan 0.000 0.436 828 D N -0.464 119.807 120.400 -0.215 0.000 2.338 828 D HA 0.025 4.666 4.640 0.001 0.000 0.208 828 D C 0.762 176.964 176.300 -0.164 0.000 0.997 828 D CA 0.557 54.388 54.000 -0.282 0.000 0.880 828 D CB 0.366 40.891 40.800 -0.458 0.000 0.980 828 D HN 0.175 nan 8.370 nan 0.000 0.509 829 F N 0.549 120.523 119.950 0.039 0.000 2.664 829 F HA 0.193 4.720 4.527 0.001 0.000 0.296 829 F C -0.850 174.996 175.800 0.077 0.000 1.125 829 F CA -0.960 57.073 58.000 0.055 0.000 1.444 829 F CB -1.223 37.795 39.000 0.030 0.000 1.114 829 F HN -0.039 nan 8.300 nan 0.000 0.576 830 P HA -0.200 nan 4.420 nan 0.000 0.214 830 P C 1.857 179.292 177.300 0.225 0.000 1.163 830 P CA 1.365 64.574 63.100 0.182 0.000 0.883 830 P CB -0.145 31.636 31.700 0.134 0.000 0.788 831 F N 0.362 120.340 119.950 0.046 0.000 2.111 831 F HA -0.303 4.225 4.527 0.001 0.000 0.300 831 F C 2.206 178.039 175.800 0.055 0.000 1.088 831 F CA 1.476 59.498 58.000 0.037 0.000 1.243 831 F CB -1.257 37.758 39.000 0.025 0.000 0.996 831 F HN -0.141 nan 8.300 nan 0.000 0.483 832 A N 0.425 123.394 122.820 0.248 0.000 1.837 832 A HA -0.256 4.065 4.320 0.001 0.000 0.216 832 A C 2.194 179.805 177.584 0.045 0.000 1.210 832 A CA 2.264 54.388 52.037 0.145 0.000 0.632 832 A CB -1.075 18.038 19.000 0.188 0.000 0.843 832 A HN 0.536 nan 8.150 nan 0.000 0.448 833 E N 0.030 120.261 120.200 0.051 0.000 2.216 833 E HA -0.053 4.297 4.350 0.001 0.000 0.192 833 E C 2.061 178.658 176.600 -0.005 0.000 0.988 833 E CA 1.004 57.412 56.400 0.014 0.000 0.834 833 E CB -0.396 29.315 29.700 0.019 0.000 0.772 833 E HN 0.652 nan 8.360 nan 0.000 0.479 834 L N 0.520 121.742 121.223 -0.002 0.000 2.049 834 L HA 0.007 4.348 4.340 0.001 0.000 0.203 834 L C 2.793 179.598 176.870 -0.109 0.000 1.074 834 L CA 0.972 55.794 54.840 -0.030 0.000 0.749 834 L CB -0.366 41.695 42.059 0.004 0.000 0.907 834 L HN 0.082 nan 8.230 nan 0.000 0.439 835 R N 0.822 121.175 120.500 -0.245 0.000 2.235 835 R HA -0.005 4.336 4.340 0.001 0.000 0.213 835 R C 1.666 177.823 176.300 -0.238 0.000 1.059 835 R CA 1.405 57.265 56.100 -0.401 0.000 0.997 835 R CB -0.235 29.453 30.300 -1.021 0.000 0.884 835 R HN 0.322 nan 8.270 nan 0.000 0.462 836 A N 0.222 122.951 122.820 -0.152 0.000 1.938 836 A HA 0.258 4.578 4.320 0.001 0.000 0.207 836 A C 0.350 177.903 177.584 -0.052 0.000 1.292 836 A CA 0.366 52.350 52.037 -0.089 0.000 0.700 836 A CB -0.108 18.855 19.000 -0.062 0.000 0.947 836 A HN 0.246 nan 8.150 nan 0.000 0.476 837 L N -1.258 119.941 121.223 -0.039 0.000 2.270 837 L HA 0.526 4.867 4.340 0.001 0.000 0.286 837 L C 0.505 177.371 176.870 -0.008 0.000 1.059 837 L CA -0.656 54.171 54.840 -0.022 0.000 0.839 837 L CB 0.185 42.233 42.059 -0.018 0.000 1.221 837 L HN 0.309 nan 8.230 nan 0.000 0.431 838 K N 2.755 123.159 120.400 0.007 0.000 2.599 838 K HA -0.352 3.969 4.320 0.001 0.000 0.218 838 K C 1.400 178.026 176.600 0.043 0.000 0.668 838 K CA 3.023 59.334 56.287 0.040 0.000 0.847 838 K CB -0.308 32.238 32.500 0.077 0.000 0.266 838 K HN 0.902 nan 8.250 nan 0.000 1.059 839 A N -0.154 122.698 122.820 0.053 0.000 2.035 839 A HA -0.000 4.320 4.320 0.001 0.000 0.208 839 A C 1.775 179.382 177.584 0.038 0.000 1.206 839 A CA 0.978 53.046 52.037 0.051 0.000 0.773 839 A CB -0.228 18.809 19.000 0.063 0.000 0.878 839 A HN 0.695 nan 8.150 nan 0.000 0.469 840 E N 0.539 120.757 120.200 0.030 0.000 2.072 840 E HA -0.081 4.269 4.350 0.001 0.000 0.190 840 E C 0.784 177.394 176.600 0.018 0.000 0.982 840 E CA 1.235 57.649 56.400 0.022 0.000 0.803 840 E CB -0.282 29.429 29.700 0.017 0.000 0.755 840 E HN 0.516 nan 8.360 nan 0.000 0.453 841 E N -0.031 120.178 120.200 0.016 0.000 2.464 841 E HA 0.334 4.684 4.350 0.001 0.000 0.260 841 E C -0.346 176.264 176.600 0.017 0.000 1.318 841 E CA 0.010 56.418 56.400 0.013 0.000 1.571 841 E CB 0.979 30.682 29.700 0.006 0.000 1.525 841 E HN 0.438 nan 8.360 nan 0.000 0.449 842 A N -0.189 122.645 122.820 0.023 0.000 1.878 842 A HA 0.058 4.378 4.320 0.001 0.000 0.201 842 A C 1.839 179.442 177.584 0.032 0.000 1.831 842 A CA -0.019 52.035 52.037 0.029 0.000 1.050 842 A CB -0.189 18.831 19.000 0.034 0.000 1.063 842 A HN 0.190 nan 8.150 nan 0.000 0.588 843 V N 1.076 121.009 119.914 0.032 0.000 2.282 843 V HA -0.291 3.830 4.120 0.001 0.000 0.249 843 V C 2.121 178.227 176.094 0.020 0.000 1.057 843 V CA 2.559 64.876 62.300 0.028 0.000 1.032 843 V CB -0.975 30.862 31.823 0.024 0.000 0.645 843 V HN 0.637 nan 8.190 nan 0.000 0.447 844 E N -0.948 119.262 120.200 0.017 0.000 2.481 844 E HA -0.021 4.329 4.350 0.001 0.000 0.195 844 E C 2.236 178.845 176.600 0.015 0.000 1.047 844 E CA -0.131 56.278 56.400 0.014 0.000 0.867 844 E CB 0.055 29.762 29.700 0.010 0.000 0.858 844 E HN 0.269 nan 8.360 nan 0.000 0.513 845 R N 0.151 120.662 120.500 0.019 0.000 2.276 845 R HA 0.096 4.436 4.340 0.001 0.000 0.196 845 R C 1.699 178.013 176.300 0.024 0.000 0.961 845 R CA 0.361 56.473 56.100 0.021 0.000 1.024 845 R CB 0.194 30.508 30.300 0.024 0.000 0.940 845 R HN 0.261 nan 8.270 nan 0.000 0.480 846 L N -0.804 120.433 121.223 0.024 0.000 2.221 846 L HA 0.006 4.347 4.340 0.001 0.000 0.202 846 L C 2.247 179.129 176.870 0.018 0.000 1.074 846 L CA 0.325 55.178 54.840 0.021 0.000 0.795 846 L CB -0.498 41.575 42.059 0.024 0.000 0.960 846 L HN -0.177 nan 8.230 nan 0.000 0.458 847 V N 0.751 120.675 119.914 0.017 0.000 2.250 847 V HA -0.343 3.778 4.120 0.001 0.000 0.250 847 V C 2.407 178.515 176.094 0.024 0.000 1.060 847 V CA 2.199 64.508 62.300 0.015 0.000 1.030 847 V CB -0.621 31.207 31.823 0.007 0.000 0.643 847 V HN 0.468 nan 8.190 nan 0.000 0.445 848 E N 0.143 120.357 120.200 0.023 0.000 2.085 848 E HA -0.230 4.121 4.350 0.001 0.000 0.194 848 E C 2.286 178.908 176.600 0.036 0.000 0.994 848 E CA 1.437 57.853 56.400 0.028 0.000 0.801 848 E CB -0.403 29.311 29.700 0.023 0.000 0.743 848 E HN 0.638 nan 8.360 nan 0.000 0.453 849 A N 1.413 124.250 122.820 0.029 0.000 1.873 849 A HA -0.075 4.246 4.320 0.001 0.000 0.215 849 A C 2.422 180.020 177.584 0.025 0.000 1.186 849 A CA 1.563 53.614 52.037 0.022 0.000 0.616 849 A CB -0.756 18.249 19.000 0.009 0.000 0.823 849 A HN 0.293 nan 8.150 nan 0.000 0.442 850 A N 0.154 122.992 122.820 0.029 0.000 1.892 850 A HA -0.150 4.170 4.320 0.001 0.000 0.218 850 A C 2.148 179.865 177.584 0.221 0.000 1.188 850 A CA 1.706 53.784 52.037 0.069 0.000 0.631 850 A CB -0.739 18.320 19.000 0.099 0.000 0.822 850 A HN 0.489 nan 8.150 nan 0.000 0.447 851 L N -0.960 120.355 121.223 0.154 0.000 2.042 851 L HA -0.243 4.098 4.340 0.001 0.000 0.210 851 L C 2.552 179.553 176.870 0.218 0.000 1.076 851 L CA 2.068 57.013 54.840 0.176 0.000 0.749 851 L CB -0.792 41.322 42.059 0.093 0.000 0.893 851 L HN 0.437 nan 8.230 nan 0.000 0.432 852 K N 0.376 120.861 120.400 0.142 0.000 2.063 852 K HA -0.175 4.146 4.320 0.001 0.000 0.208 852 K C 2.262 178.950 176.600 0.147 0.000 1.048 852 K CA 1.560 57.916 56.287 0.115 0.000 0.928 852 K CB -0.294 32.245 32.500 0.065 0.000 0.713 852 K HN 0.298 nan 8.250 nan 0.000 0.442 853 A N 0.522 123.434 122.820 0.152 0.000 1.898 853 A HA -0.185 4.135 4.320 0.001 0.000 0.216 853 A C 2.013 179.861 177.584 0.439 0.000 1.181 853 A CA 1.144 53.267 52.037 0.143 0.000 0.620 853 A CB -0.774 18.127 19.000 -0.164 0.000 0.819 853 A HN 0.386 nan 8.150 nan 0.000 0.442 854 Y N 0.406 121.019 120.300 0.522 0.000 2.114 854 Y HA -0.269 4.282 4.550 0.001 0.000 0.284 854 Y C 2.521 178.513 175.900 0.153 0.000 1.143 854 Y CA 1.990 60.309 58.100 0.366 0.000 1.135 854 Y CB -0.096 38.420 38.460 0.093 0.000 0.980 854 Y HN 0.452 nan 8.280 nan 0.000 0.499 855 E N -0.085 120.266 120.200 0.252 0.000 2.070 855 E HA -0.309 4.042 4.350 0.001 0.000 0.197 855 E C 2.234 178.868 176.600 0.056 0.000 1.004 855 E CA 1.301 57.765 56.400 0.106 0.000 0.805 855 E CB -0.341 29.424 29.700 0.108 0.000 0.744 855 E HN 0.563 nan 8.360 nan 0.000 0.451 856 A N 0.923 123.796 122.820 0.088 0.000 2.015 856 A HA -0.161 4.160 4.320 0.001 0.000 0.219 856 A C 2.069 179.675 177.584 0.037 0.000 1.163 856 A CA 1.435 53.504 52.037 0.054 0.000 0.646 856 A CB -0.346 18.689 19.000 0.058 0.000 0.806 856 A HN 0.078 nan 8.150 nan 0.000 0.448 857 R N -0.352 120.180 120.500 0.053 0.000 2.200 857 R HA 0.005 4.346 4.340 0.001 0.000 0.208 857 R C 1.642 177.886 176.300 -0.092 0.000 1.033 857 R CA 1.101 57.204 56.100 0.005 0.000 1.000 857 R CB -0.135 30.198 30.300 0.055 0.000 0.906 857 R HN 0.583 nan 8.270 nan 0.000 0.462 858 E N -0.801 119.327 120.200 -0.121 0.000 2.511 858 E HA -0.035 4.315 4.350 0.001 0.000 0.196 858 E C 0.838 177.397 176.600 -0.069 0.000 1.066 858 E CA 0.608 56.926 56.400 -0.137 0.000 0.871 858 E CB 0.315 29.935 29.700 -0.134 0.000 0.863 858 E HN 0.478 nan 8.360 nan 0.000 0.520 859 A N 0.167 122.962 122.820 -0.042 0.000 2.013 859 A HA 0.042 4.363 4.320 0.001 0.000 0.204 859 A C 1.762 179.332 177.584 -0.022 0.000 1.262 859 A CA -0.080 51.943 52.037 -0.024 0.000 0.800 859 A CB 0.075 19.069 19.000 -0.010 0.000 0.909 859 A HN 0.105 nan 8.150 nan 0.000 0.472 860 E N 0.620 120.808 120.200 -0.020 0.000 2.070 860 E HA -0.161 4.190 4.350 0.001 0.000 0.197 860 E C 0.226 176.812 176.600 -0.024 0.000 1.004 860 E CA 1.133 57.524 56.400 -0.015 0.000 0.805 860 E CB -0.521 29.175 29.700 -0.007 0.000 0.744 860 E HN 0.704 nan 8.360 nan 0.000 0.451 861 L N -0.138 121.062 121.223 -0.038 0.000 2.342 861 L HA 0.446 4.786 4.340 0.001 0.000 0.276 861 L C 0.139 176.978 176.870 -0.051 0.000 0.997 861 L CA -0.770 54.043 54.840 -0.044 0.000 0.838 861 L CB 1.932 43.960 42.059 -0.053 0.000 1.224 861 L HN -0.317 nan 8.230 nan 0.000 0.416 862 S N 3.306 118.982 115.700 -0.039 0.000 2.525 862 S HA -0.039 4.431 4.470 0.001 0.000 0.282 862 S C -1.279 173.294 174.600 -0.045 0.000 1.324 862 S CA -0.287 57.891 58.200 -0.036 0.000 1.025 862 S CB 0.505 63.688 63.200 -0.028 0.000 0.820 862 S HN 0.594 nan 8.310 nan 0.000 0.514 863 P HA -0.104 nan 4.420 nan 0.000 0.216 863 P C -1.561 175.716 177.300 -0.039 0.000 1.157 863 P CA 1.500 64.575 63.100 -0.042 0.000 0.880 863 P CB -0.680 31.003 31.700 -0.029 0.000 0.791 864 P HA -0.091 nan 4.420 nan 0.000 0.218 864 P C 1.657 178.939 177.300 -0.030 0.000 1.149 864 P CA 1.025 64.109 63.100 -0.026 0.000 0.817 864 P CB -0.316 31.370 31.700 -0.022 0.000 0.785 865 L N -1.969 119.232 121.223 -0.037 0.000 2.179 865 L HA -0.032 4.309 4.340 0.001 0.000 0.208 865 L C 2.233 179.074 176.870 -0.048 0.000 1.096 865 L CA 0.940 55.756 54.840 -0.040 0.000 0.779 865 L CB -0.387 41.646 42.059 -0.042 0.000 0.922 865 L HN -0.047 nan 8.230 nan 0.000 0.443 866 M N 0.522 120.082 119.600 -0.067 0.000 2.117 866 M HA -0.209 4.272 4.480 0.001 0.000 0.262 866 M C 2.379 178.631 176.300 -0.080 0.000 1.065 866 M CA 1.928 57.164 55.300 -0.106 0.000 1.114 866 M CB -0.668 31.839 32.600 -0.154 0.000 1.361 866 M HN 0.322 nan 8.290 nan 0.000 0.408 867 R N -0.480 119.990 120.500 -0.051 0.000 2.115 867 R HA 0.054 4.394 4.340 0.001 0.000 0.230 867 R C 2.113 178.412 176.300 -0.001 0.000 1.111 867 R CA 1.365 57.452 56.100 -0.023 0.000 0.976 867 R CB -1.085 29.205 30.300 -0.015 0.000 0.870 867 R HN 0.311 nan 8.270 nan 0.000 0.445 868 A N 1.603 124.421 122.820 -0.005 0.000 1.940 868 A HA -0.085 4.236 4.320 0.001 0.000 0.219 868 A C 2.385 179.999 177.584 0.050 0.000 1.176 868 A CA 1.573 53.618 52.037 0.013 0.000 0.631 868 A CB -0.472 18.521 19.000 -0.011 0.000 0.814 868 A HN 0.169 nan 8.150 nan 0.000 0.446 869 V N -0.147 119.788 119.914 0.035 0.000 2.453 869 V HA -0.228 3.893 4.120 0.001 0.000 0.247 869 V C 2.308 178.477 176.094 0.125 0.000 1.048 869 V CA 2.031 64.387 62.300 0.093 0.000 1.049 869 V CB -0.877 30.971 31.823 0.042 0.000 0.672 869 V HN 0.622 nan 8.190 nan 0.000 0.457 870 E N 0.304 120.540 120.200 0.060 0.000 2.038 870 E HA -0.241 4.110 4.350 0.001 0.000 0.195 870 E C 2.480 179.108 176.600 0.048 0.000 1.000 870 E CA 1.497 57.928 56.400 0.053 0.000 0.803 870 E CB -0.225 29.497 29.700 0.036 0.000 0.750 870 E HN 0.538 nan 8.360 nan 0.000 0.448 871 R N 0.039 120.572 120.500 0.054 0.000 2.094 871 R HA -0.185 4.156 4.340 0.001 0.000 0.239 871 R C 2.357 178.700 176.300 0.071 0.000 1.137 871 R CA 1.734 57.862 56.100 0.048 0.000 0.943 871 R CB -0.611 29.721 30.300 0.053 0.000 0.850 871 R HN 0.183 nan 8.270 nan 0.000 0.433 872 F N 1.384 121.319 119.950 -0.025 0.000 2.095 872 F HA -0.220 4.308 4.527 0.001 0.000 0.298 872 F C 2.065 177.840 175.800 -0.041 0.000 1.104 872 F CA 1.376 59.360 58.000 -0.027 0.000 1.232 872 F CB -0.358 38.630 39.000 -0.020 0.000 0.987 872 F HN -0.252 nan 8.300 nan 0.000 0.475 873 V N 1.011 120.904 119.914 -0.034 0.000 2.223 873 V HA -0.323 3.798 4.120 0.001 0.000 0.244 873 V C 2.477 178.443 176.094 -0.212 0.000 1.045 873 V CA 2.285 64.486 62.300 -0.165 0.000 1.000 873 V CB -0.709 31.132 31.823 0.030 0.000 0.635 873 V HN 0.377 nan 8.190 nan 0.000 0.445 874 I N -0.380 120.121 120.570 -0.115 0.000 2.069 874 I HA -0.324 3.846 4.170 0.001 0.000 0.237 874 I C 2.433 178.466 176.117 -0.139 0.000 1.053 874 I CA 1.878 63.110 61.300 -0.114 0.000 1.311 874 I CB -0.462 37.495 38.000 -0.072 0.000 1.030 874 I HN 0.258 nan 8.210 nan 0.000 0.398 875 L N 0.146 121.289 121.223 -0.134 0.000 1.990 875 L HA -0.297 4.043 4.340 0.001 0.000 0.213 875 L C 2.424 179.197 176.870 -0.162 0.000 1.072 875 L CA 1.632 56.396 54.840 -0.126 0.000 0.755 875 L CB -0.974 41.024 42.059 -0.102 0.000 0.889 875 L HN 0.420 nan 8.230 nan 0.000 0.432 876 N N -0.146 118.378 118.700 -0.294 0.000 2.149 876 N HA -0.162 4.579 4.740 0.001 0.000 0.188 876 N C 1.770 177.155 175.510 -0.210 0.000 1.019 876 N CA 1.467 54.317 53.050 -0.334 0.000 0.857 876 N CB 0.068 38.154 38.487 -0.668 0.000 0.997 876 N HN 0.139 nan 8.380 nan 0.000 0.426 877 V N 0.618 120.405 119.914 -0.212 0.000 2.283 877 V HA -0.147 3.974 4.120 0.001 0.000 0.243 877 V C 2.469 178.552 176.094 -0.019 0.000 1.039 877 V CA 1.038 63.254 62.300 -0.140 0.000 1.016 877 V CB -0.445 31.260 31.823 -0.196 0.000 0.650 877 V HN 0.026 nan 8.190 nan 0.000 0.449 878 V N 1.585 121.476 119.914 -0.038 0.000 2.223 878 V HA -0.280 3.841 4.120 0.001 0.000 0.244 878 V C 2.466 178.627 176.094 0.112 0.000 1.045 878 V CA 2.393 64.702 62.300 0.016 0.000 1.000 878 V CB -0.879 30.913 31.823 -0.051 0.000 0.635 878 V HN 0.819 nan 8.190 nan 0.000 0.445 879 D N -0.331 120.113 120.400 0.072 0.000 2.351 879 D HA -0.205 4.436 4.640 0.001 0.000 0.216 879 D C 1.664 178.086 176.300 0.203 0.000 0.968 879 D CA 1.321 55.415 54.000 0.156 0.000 0.899 879 D CB -0.319 40.524 40.800 0.071 0.000 0.907 879 D HN 0.444 nan 8.370 nan 0.000 0.514 880 N N -0.189 118.607 118.700 0.161 0.000 2.395 880 N HA 0.119 4.860 4.740 0.001 0.000 0.175 880 N C 1.567 177.229 175.510 0.253 0.000 1.029 880 N CA 1.134 54.291 53.050 0.180 0.000 0.897 880 N CB 0.137 38.717 38.487 0.155 0.000 0.991 880 N HN 0.238 nan 8.380 nan 0.000 0.441 881 A N -0.456 122.543 122.820 0.300 0.000 1.984 881 A HA -0.005 4.316 4.320 0.001 0.000 0.214 881 A C 2.022 179.829 177.584 0.372 0.000 1.173 881 A CA 0.229 52.473 52.037 0.345 0.000 0.673 881 A CB -0.947 18.279 19.000 0.377 0.000 0.830 881 A HN 0.571 nan 8.150 nan 0.000 0.453 882 W N 1.348 122.740 121.300 0.152 0.000 2.354 882 W HA -0.194 4.466 4.660 0.001 0.000 0.315 882 W C 1.705 178.340 176.519 0.192 0.000 1.206 882 W CA 1.763 59.214 57.345 0.176 0.000 1.290 882 W CB -0.153 29.401 29.460 0.155 0.000 1.152 882 W HN 0.265 nan 8.180 nan 0.000 0.489 883 K N 0.150 120.691 120.400 0.234 0.000 2.160 883 K HA -0.267 4.054 4.320 0.001 0.000 0.206 883 K C 1.694 178.323 176.600 0.047 0.000 1.047 883 K CA 1.950 58.272 56.287 0.058 0.000 0.930 883 K CB -0.314 32.264 32.500 0.130 0.000 0.720 883 K HN 0.029 nan 8.250 nan 0.000 0.450 884 E N -0.361 119.903 120.200 0.106 0.000 2.285 884 E HA -0.141 4.210 4.350 0.001 0.000 0.194 884 E C 1.611 178.253 176.600 0.070 0.000 0.997 884 E CA 0.845 57.288 56.400 0.072 0.000 0.845 884 E CB 0.087 29.826 29.700 0.064 0.000 0.782 884 E HN 0.311 nan 8.360 nan 0.000 0.491 885 H N -0.322 118.712 119.070 -0.060 0.000 2.329 885 H HA 0.119 4.675 4.556 0.001 0.000 0.306 885 H C 1.740 176.931 175.328 -0.228 0.000 1.062 885 H CA 1.460 57.439 56.048 -0.116 0.000 1.364 885 H CB -0.175 29.539 29.762 -0.079 0.000 1.409 885 H HN 0.120 nan 8.280 nan 0.000 0.519 886 L N -0.358 120.615 121.223 -0.417 0.000 2.129 886 L HA -0.250 4.091 4.340 0.001 0.000 0.212 886 L C 2.410 179.132 176.870 -0.247 0.000 1.087 886 L CA 1.864 56.422 54.840 -0.470 0.000 0.757 886 L CB -0.606 41.140 42.059 -0.521 0.000 0.896 886 L HN 0.502 nan 8.230 nan 0.000 0.434 887 H N 0.084 119.014 119.070 -0.233 0.000 2.276 887 H HA -0.152 4.405 4.556 0.001 0.000 0.301 887 H C 2.195 177.411 175.328 -0.187 0.000 1.073 887 H CA 1.830 57.781 56.048 -0.162 0.000 1.311 887 H CB 0.233 29.932 29.762 -0.105 0.000 1.379 887 H HN 0.171 nan 8.280 nan 0.000 0.494 888 N N 0.329 119.057 118.700 0.046 0.000 2.132 888 N HA -0.176 4.565 4.740 0.001 0.000 0.191 888 N C 1.975 177.384 175.510 -0.168 0.000 1.015 888 N CA 1.294 54.291 53.050 -0.087 0.000 0.864 888 N CB -0.279 38.133 38.487 -0.124 0.000 1.006 888 N HN 0.379 nan 8.380 nan 0.000 0.430 889 L N 0.316 121.363 121.223 -0.294 0.000 2.044 889 L HA -0.141 4.199 4.340 0.001 0.000 0.205 889 L C 1.684 178.510 176.870 -0.073 0.000 1.075 889 L CA 1.041 55.727 54.840 -0.257 0.000 0.747 889 L CB -0.401 41.425 42.059 -0.389 0.000 0.903 889 L HN 0.137 nan 8.230 nan 0.000 0.435 890 D N -0.033 120.300 120.400 -0.112 0.000 2.126 890 D HA -0.197 4.443 4.640 0.001 0.000 0.190 890 D C 2.156 178.411 176.300 -0.075 0.000 1.001 890 D CA 1.520 55.462 54.000 -0.097 0.000 0.841 890 D CB -0.249 40.450 40.800 -0.169 0.000 0.949 890 D HN 0.129 nan 8.370 nan 0.000 0.446 891 V N 0.849 120.722 119.914 -0.068 0.000 2.867 891 V HA -0.184 3.937 4.120 0.001 0.000 0.260 891 V C 2.284 178.356 176.094 -0.036 0.000 1.099 891 V CA 0.823 63.093 62.300 -0.050 0.000 1.122 891 V CB -0.271 31.548 31.823 -0.008 0.000 0.708 891 V HN 0.100 nan 8.190 nan 0.000 0.490 892 L N -0.285 120.936 121.223 -0.003 0.000 2.202 892 L HA 0.082 4.422 4.340 0.001 0.000 0.205 892 L C 2.605 179.590 176.870 0.191 0.000 1.083 892 L CA 1.431 56.308 54.840 0.061 0.000 0.790 892 L CB -0.398 41.658 42.059 -0.004 0.000 0.942 892 L HN 0.170 nan 8.230 nan 0.000 0.452 893 R N -0.503 120.121 120.500 0.206 0.000 2.062 893 R HA -0.074 4.266 4.340 0.001 0.000 0.231 893 R C 1.238 177.493 176.300 -0.075 0.000 1.136 893 R CA 1.273 57.438 56.100 0.108 0.000 0.948 893 R CB -0.625 29.720 30.300 0.076 0.000 0.845 893 R HN 0.476 nan 8.270 nan 0.000 0.430 894 Q N 0.676 120.349 119.800 -0.212 0.000 2.259 894 Q HA 0.125 4.466 4.340 0.001 0.000 0.228 894 Q C 0.793 176.549 176.000 -0.406 0.000 0.909 894 Q CA 0.318 55.806 55.803 -0.524 0.000 0.948 894 Q CB 0.961 29.463 28.738 -0.392 0.000 1.041 894 Q HN 0.485 nan 8.270 nan 0.000 0.445 895 G N 0.423 109.154 108.800 -0.116 0.000 2.553 895 G HA2 0.049 4.009 3.960 0.001 0.000 0.190 895 G HA3 0.049 4.009 3.960 0.001 0.000 0.190 895 G C 1.026 176.092 174.900 0.277 0.000 1.217 895 G CA -0.271 44.881 45.100 0.087 0.000 0.654 895 G HN 0.227 nan 8.290 nan 0.000 0.727 896 I N 2.961 123.663 120.570 0.221 0.000 3.010 896 I HA -0.082 4.089 4.170 0.001 0.000 0.271 896 I C 2.294 178.614 176.117 0.339 0.000 1.293 896 I CA 0.809 62.253 61.300 0.239 0.000 1.452 896 I CB -0.363 37.759 38.000 0.203 0.000 1.082 896 I HN 0.419 nan 8.210 nan 0.000 0.484 897 F N 0.854 120.859 119.950 0.090 0.000 2.451 897 F HA 0.042 4.569 4.527 0.001 0.000 0.299 897 F C 0.974 176.812 175.800 0.063 0.000 1.101 897 F CA -0.317 57.733 58.000 0.083 0.000 1.436 897 F CB -0.493 38.538 39.000 0.051 0.000 1.074 897 F HN -0.173 nan 8.300 nan 0.000 0.553 898 L N 2.639 123.879 121.223 0.028 0.000 2.516 898 L HA -0.028 4.312 4.340 0.001 0.000 0.288 898 L C 1.110 177.931 176.870 -0.082 0.000 1.246 898 L CA -0.282 54.439 54.840 -0.199 0.000 0.844 898 L CB 0.150 42.194 42.059 -0.025 0.000 1.106 898 L HN 0.277 nan 8.230 nan 0.000 0.509 899 R N 1.944 122.384 120.500 -0.100 0.000 2.630 899 R HA 0.116 4.457 4.340 0.001 0.000 0.286 899 R C 0.338 176.657 176.300 0.033 0.000 1.391 899 R CA 0.119 56.205 56.100 -0.024 0.000 1.027 899 R CB -1.038 29.245 30.300 -0.030 0.000 1.099 899 R HN 0.745 nan 8.270 nan 0.000 0.525 900 G N 2.080 110.922 108.800 0.071 0.000 2.486 900 G HA2 -0.069 3.892 3.960 0.001 0.000 0.272 900 G HA3 -0.069 3.892 3.960 0.001 0.000 0.272 900 G C -0.824 174.184 174.900 0.180 0.000 1.426 900 G CA -0.844 44.321 45.100 0.108 0.000 1.058 900 G HN 0.670 nan 8.290 nan 0.000 0.531 901 Y N 1.369 121.689 120.300 0.034 0.000 2.650 901 Y HA 0.191 4.742 4.550 0.001 0.000 0.331 901 Y C 1.876 177.795 175.900 0.032 0.000 1.165 901 Y CA -0.300 57.818 58.100 0.030 0.000 1.473 901 Y CB 0.304 38.783 38.460 0.032 0.000 1.224 901 Y HN 0.825 nan 8.280 nan 0.000 0.533 902 G N 4.313 113.208 108.800 0.159 0.000 3.615 902 G HA2 -0.485 3.476 3.960 0.001 0.000 0.463 902 G HA3 -0.485 3.476 3.960 0.001 0.000 0.463 902 G C 1.087 175.979 174.900 -0.013 0.000 0.884 902 G CA 1.499 46.603 45.100 0.007 0.000 0.733 902 G HN 0.921 nan 8.290 nan 0.000 1.300 903 Q N -0.066 119.694 119.800 -0.066 0.000 2.152 903 Q HA -0.081 4.260 4.340 0.001 0.000 0.206 903 Q C 1.084 177.082 176.000 -0.004 0.000 0.985 903 Q CA 1.727 57.509 55.803 -0.035 0.000 0.863 903 Q CB -0.265 28.439 28.738 -0.056 0.000 0.904 903 Q HN 0.510 nan 8.270 nan 0.000 0.422 904 K N 3.367 123.762 120.400 -0.009 0.000 2.319 904 K HA -0.009 4.311 4.320 0.001 0.000 0.277 904 K C -0.786 175.862 176.600 0.080 0.000 1.111 904 K CA -0.008 56.301 56.287 0.036 0.000 1.093 904 K CB 0.050 32.576 32.500 0.042 0.000 0.910 904 K HN 0.345 nan 8.250 nan 0.000 0.452 905 D N 4.153 124.612 120.400 0.098 0.000 2.563 905 D HA -0.106 4.534 4.640 0.001 0.000 0.229 905 D C -1.689 174.722 176.300 0.187 0.000 1.159 905 D CA -0.924 53.161 54.000 0.142 0.000 0.869 905 D CB 0.240 41.139 40.800 0.166 0.000 1.203 905 D HN 0.213 nan 8.370 nan 0.000 0.478 906 P HA -0.174 nan 4.420 nan 0.000 0.216 906 P C 1.435 178.881 177.300 0.243 0.000 1.153 906 P CA 0.829 64.063 63.100 0.222 0.000 0.858 906 P CB -0.029 31.824 31.700 0.255 0.000 0.789 907 F N 0.450 120.493 119.950 0.155 0.000 2.065 907 F HA -0.287 4.240 4.527 0.001 0.000 0.298 907 F C 2.594 178.438 175.800 0.074 0.000 1.112 907 F CA 1.904 59.968 58.000 0.106 0.000 1.212 907 F CB -0.787 38.296 39.000 0.137 0.000 0.975 907 F HN -0.111 nan 8.300 nan 0.000 0.476 908 Q N 0.020 120.010 119.800 0.317 0.000 2.112 908 Q HA -0.282 4.059 4.340 0.001 0.000 0.206 908 Q C 2.071 178.112 176.000 0.069 0.000 0.987 908 Q CA 2.312 58.226 55.803 0.185 0.000 0.858 908 Q CB -0.175 28.654 28.738 0.153 0.000 0.905 908 Q HN 0.588 nan 8.270 nan 0.000 0.420 909 E N -0.832 119.415 120.200 0.078 0.000 2.051 909 E HA -0.228 4.123 4.350 0.001 0.000 0.192 909 E C 1.743 178.333 176.600 -0.016 0.000 0.991 909 E CA 1.306 57.735 56.400 0.048 0.000 0.799 909 E CB -0.292 29.461 29.700 0.088 0.000 0.748 909 E HN 0.428 nan 8.360 nan 0.000 0.449 910 Y N 2.094 122.274 120.300 -0.200 0.000 2.114 910 Y HA -0.254 4.297 4.550 0.001 0.000 0.284 910 Y C 2.401 178.060 175.900 -0.401 0.000 1.143 910 Y CA 1.872 59.756 58.100 -0.359 0.000 1.135 910 Y CB 0.007 38.080 38.460 -0.646 0.000 0.980 910 Y HN -0.188 nan 8.280 nan 0.000 0.499 911 K N 0.520 120.717 120.400 -0.338 0.000 2.020 911 K HA -0.248 4.072 4.320 0.001 0.000 0.212 911 K C 2.073 178.545 176.600 -0.213 0.000 1.050 911 K CA 2.284 58.387 56.287 -0.307 0.000 0.929 911 K CB -0.603 31.802 32.500 -0.158 0.000 0.714 911 K HN 0.478 nan 8.250 nan 0.000 0.443 912 I N 0.874 121.366 120.570 -0.130 0.000 2.069 912 I HA -0.304 3.867 4.170 0.001 0.000 0.237 912 I C 2.473 178.527 176.117 -0.105 0.000 1.053 912 I CA 1.627 62.878 61.300 -0.081 0.000 1.311 912 I CB -0.311 37.665 38.000 -0.039 0.000 1.030 912 I HN 0.266 nan 8.210 nan 0.000 0.398 913 E N 0.752 120.865 120.200 -0.146 0.000 2.110 913 E HA -0.182 4.169 4.350 0.001 0.000 0.193 913 E C 2.036 178.516 176.600 -0.201 0.000 0.988 913 E CA 1.449 57.762 56.400 -0.145 0.000 0.804 913 E CB -0.274 29.327 29.700 -0.164 0.000 0.745 913 E HN 0.472 nan 8.360 nan 0.000 0.458 914 A N -0.319 122.269 122.820 -0.387 0.000 1.841 914 A HA -0.240 4.080 4.320 0.001 0.000 0.216 914 A C 2.444 179.968 177.584 -0.100 0.000 1.199 914 A CA 2.531 54.332 52.037 -0.393 0.000 0.621 914 A CB -1.290 17.320 19.000 -0.651 0.000 0.835 914 A HN 0.346 nan 8.150 nan 0.000 0.445 915 T N -0.502 113.999 114.554 -0.089 0.000 2.778 915 T HA -0.178 4.173 4.350 0.001 0.000 0.269 915 T C 2.051 176.816 174.700 0.107 0.000 1.050 915 T CA 1.375 63.496 62.100 0.035 0.000 1.137 915 T CB -0.283 68.591 68.868 0.009 0.000 0.860 915 T HN 0.397 nan 8.240 nan 0.000 0.468 916 R N 0.982 121.510 120.500 0.047 0.000 2.075 916 R HA 0.004 4.344 4.340 0.001 0.000 0.230 916 R C 2.462 178.823 176.300 0.100 0.000 1.140 916 R CA 1.294 57.434 56.100 0.067 0.000 0.928 916 R CB -0.865 29.462 30.300 0.046 0.000 0.834 916 R HN 0.403 nan 8.270 nan 0.000 0.429 917 L N 0.228 121.515 121.223 0.107 0.000 2.051 917 L HA -0.255 4.085 4.340 0.001 0.000 0.214 917 L C 2.552 179.510 176.870 0.146 0.000 1.076 917 L CA 1.603 56.535 54.840 0.153 0.000 0.758 917 L CB -0.716 41.482 42.059 0.231 0.000 0.890 917 L HN 0.173 nan 8.230 nan 0.000 0.433 918 F N 1.564 121.498 119.950 -0.026 0.000 2.026 918 F HA -0.251 4.277 4.527 0.001 0.000 0.296 918 F C 2.553 178.314 175.800 -0.065 0.000 1.133 918 F CA 1.774 59.681 58.000 -0.155 0.000 1.188 918 F CB -0.622 38.347 39.000 -0.052 0.000 0.968 918 F HN 0.102 nan 8.300 nan 0.000 0.476 919 N N 0.731 119.439 118.700 0.013 0.000 2.060 919 N HA -0.244 4.496 4.740 0.001 0.000 0.195 919 N C 1.888 177.331 175.510 -0.112 0.000 1.028 919 N CA 1.965 54.948 53.050 -0.113 0.000 0.861 919 N CB -0.693 37.806 38.487 0.020 0.000 1.029 919 N HN 0.534 nan 8.380 nan 0.000 0.428 920 E N 0.606 120.794 120.200 -0.021 0.000 2.058 920 E HA -0.187 4.164 4.350 0.001 0.000 0.194 920 E C 2.019 178.628 176.600 0.015 0.000 0.997 920 E CA 0.770 57.182 56.400 0.019 0.000 0.801 920 E CB -0.149 29.587 29.700 0.061 0.000 0.746 920 E HN 0.318 nan 8.360 nan 0.000 0.450 921 M N 0.751 120.331 119.600 -0.033 0.000 2.108 921 M HA -0.175 4.305 4.480 0.001 0.000 0.261 921 M C 2.260 178.527 176.300 -0.054 0.000 1.066 921 M CA 1.281 56.578 55.300 -0.005 0.000 1.107 921 M CB -0.091 32.453 32.600 -0.092 0.000 1.356 921 M HN 0.019 nan 8.290 nan 0.000 0.406 922 V N 0.742 120.498 119.914 -0.263 0.000 2.343 922 V HA -0.268 3.852 4.120 0.001 0.000 0.247 922 V C 2.686 178.695 176.094 -0.141 0.000 1.051 922 V CA 1.828 63.961 62.300 -0.279 0.000 1.036 922 V CB -1.489 30.082 31.823 -0.419 0.000 0.654 922 V HN 0.622 nan 8.190 nan 0.000 0.451 923 A N 0.037 122.804 122.820 -0.088 0.000 1.859 923 A HA -0.320 4.000 4.320 0.001 0.000 0.218 923 A C 2.129 179.704 177.584 -0.015 0.000 1.209 923 A CA 2.429 54.444 52.037 -0.037 0.000 0.639 923 A CB -1.013 17.993 19.000 0.011 0.000 0.835 923 A HN 0.514 nan 8.150 nan 0.000 0.450 924 F N 0.647 120.569 119.950 -0.047 0.000 2.154 924 F HA -0.217 4.311 4.527 0.001 0.000 0.301 924 F C 1.944 177.726 175.800 -0.030 0.000 1.087 924 F CA 1.611 59.600 58.000 -0.018 0.000 1.274 924 F CB -0.308 38.705 39.000 0.022 0.000 1.009 924 F HN 0.233 nan 8.300 nan 0.000 0.485 925 I N 0.063 120.494 120.570 -0.231 0.000 2.090 925 I HA -0.345 3.826 4.170 0.001 0.000 0.236 925 I C 2.504 178.443 176.117 -0.297 0.000 1.064 925 I CA 1.678 62.809 61.300 -0.281 0.000 1.324 925 I CB -0.634 37.286 38.000 -0.132 0.000 1.044 925 I HN 0.000 nan 8.210 nan 0.000 0.399 926 K N 0.416 120.692 120.400 -0.207 0.000 2.059 926 K HA -0.258 4.062 4.320 0.001 0.000 0.212 926 K C 2.363 178.850 176.600 -0.188 0.000 1.050 926 K CA 2.160 58.343 56.287 -0.174 0.000 0.927 926 K CB -0.335 32.084 32.500 -0.135 0.000 0.714 926 K HN 0.266 nan 8.250 nan 0.000 0.447 927 S N 0.818 116.395 115.700 -0.204 0.000 2.359 927 S HA -0.212 4.258 4.470 0.001 0.000 0.224 927 S C 1.978 176.447 174.600 -0.218 0.000 1.035 927 S CA 1.742 59.835 58.200 -0.179 0.000 1.018 927 S CB -0.180 62.936 63.200 -0.139 0.000 0.876 927 S HN 0.239 nan 8.310 nan 0.000 0.448 928 E N 0.376 120.335 120.200 -0.401 0.000 2.150 928 E HA -0.020 4.330 4.350 0.001 0.000 0.193 928 E C 1.962 178.493 176.600 -0.116 0.000 0.985 928 E CA 1.037 57.230 56.400 -0.346 0.000 0.814 928 E CB -0.378 28.850 29.700 -0.786 0.000 0.752 928 E HN 0.435 nan 8.360 nan 0.000 0.466 929 V N 0.727 120.539 119.914 -0.169 0.000 2.261 929 V HA -0.291 3.829 4.120 0.001 0.000 0.246 929 V C 2.288 178.349 176.094 -0.056 0.000 1.047 929 V CA 1.820 64.063 62.300 -0.094 0.000 1.015 929 V CB -1.138 30.609 31.823 -0.127 0.000 0.642 929 V HN 0.391 nan 8.190 nan 0.000 0.446 930 A N 0.376 123.127 122.820 -0.115 0.000 1.852 930 A HA -0.324 3.997 4.320 0.001 0.000 0.217 930 A C 2.221 179.780 177.584 -0.041 0.000 1.215 930 A CA 2.626 54.574 52.037 -0.149 0.000 0.641 930 A CB -0.740 18.190 19.000 -0.117 0.000 0.838 930 A HN 0.568 nan 8.150 nan 0.000 0.450 931 K N -1.502 118.900 120.400 0.004 0.000 2.015 931 K HA -0.241 4.080 4.320 0.001 0.000 0.220 931 K C 1.699 178.295 176.600 -0.007 0.000 1.055 931 K CA 2.069 58.357 56.287 0.002 0.000 0.951 931 K CB -0.619 31.811 32.500 -0.117 0.000 0.725 931 K HN 0.414 nan 8.250 nan 0.000 0.449 932 F N 1.174 121.116 119.950 -0.014 0.000 2.307 932 F HA -0.126 4.401 4.527 0.001 0.000 0.301 932 F C 1.995 177.820 175.800 0.041 0.000 1.076 932 F CA 1.098 59.104 58.000 0.011 0.000 1.383 932 F CB -0.179 38.808 39.000 -0.022 0.000 1.055 932 F HN -0.006 nan 8.300 nan 0.000 0.526 933 L N -2.403 118.925 121.223 0.175 0.000 2.313 933 L HA -0.128 4.212 4.340 0.001 0.000 0.214 933 L C 1.974 178.917 176.870 0.120 0.000 1.119 933 L CA 0.879 55.798 54.840 0.132 0.000 0.809 933 L CB -0.490 41.648 42.059 0.132 0.000 0.933 933 L HN 0.087 nan 8.230 nan 0.000 0.449 934 F N -0.940 119.100 119.950 0.150 0.000 2.530 934 F HA 0.044 4.572 4.527 0.001 0.000 0.292 934 F C 2.217 178.019 175.800 0.004 0.000 1.109 934 F CA 0.065 58.120 58.000 0.092 0.000 1.450 934 F CB 0.403 39.430 39.000 0.045 0.000 1.114 934 F HN -0.152 nan 8.300 nan 0.000 0.560 935 R N 0.232 120.813 120.500 0.136 0.000 2.507 935 R HA 0.230 4.570 4.340 0.001 0.000 0.298 935 R C -0.285 176.022 176.300 0.012 0.000 0.999 935 R CA -0.233 55.862 56.100 -0.008 0.000 1.082 935 R CB 0.071 30.263 30.300 -0.180 0.000 1.246 935 R HN 0.085 nan 8.270 nan 0.000 0.553 936 L N 0.169 121.461 121.223 0.115 0.000 2.488 936 L HA 0.387 4.727 4.340 0.001 0.000 0.249 936 L C -0.609 176.321 176.870 0.100 0.000 1.151 936 L CA -0.004 54.936 54.840 0.167 0.000 0.806 936 L CB 0.933 43.134 42.059 0.237 0.000 1.261 936 L HN -0.069 nan 8.230 nan 0.000 0.484 937 K N 1.001 121.457 120.400 0.094 0.000 2.656 937 K HA 0.360 4.681 4.320 0.001 0.000 0.241 937 K C -1.483 175.134 176.600 0.029 0.000 0.967 937 K CA -0.592 55.727 56.287 0.053 0.000 0.946 937 K CB 1.720 34.250 32.500 0.050 0.000 1.164 937 K HN 0.209 nan 8.250 nan 0.000 0.459 938 V N 3.086 123.006 119.914 0.010 0.000 2.425 938 V HA 0.355 4.476 4.120 0.001 0.000 0.276 938 V C 0.410 176.492 176.094 -0.019 0.000 1.017 938 V CA 0.998 63.287 62.300 -0.017 0.000 1.062 938 V CB -0.038 31.769 31.823 -0.027 0.000 0.997 938 V HN 0.962 nan 8.190 nan 0.000 0.476 939 E N 0.000 120.183 120.200 -0.029 0.000 2.725 939 E HA 0.000 4.351 4.350 0.001 0.000 0.291 939 E CA 0.000 56.385 56.400 -0.024 0.000 0.976 939 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 939 E HN 0.000 nan 8.360 nan 0.000 0.440