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 1a2v_1_C DATA FIRST_RESID 18 DATA SEQUENCE PARPAHPLDP LSTAEIKAAT NTVKSYFAGK KISFNTVTLR EPARKAYIQW DATA SEQUENCE KEQGGPLPPR LAYYVILEAG KPGVKEGLVD LASLSVIETR ALETVQPILT DATA SEQUENCE VEDLCSTEEV IRNDPAVIEQ CVLSGIPANE MHKVYCDPWT IGYDERWGTG DATA SEQUENCE KRLQQALVYY RSDEDDSQYS HPLDFCPIVD TEEKKVIFID IPNRRRKVSK DATA SEQUENCE HKHANFYPKH MIEKVGAMRP EAPPINVTQP EGVSFKMTGN VMEWSNFKFH DATA SEQUENCE IGFNYREGIV LSDVSYNDHG NVRPIFHRIS LSEMIVPYGS PEFPHQRKHA DATA SEQUENCE LDIGEYGAGY MTNPLSLGCD CKGVIHYLDA HFSDRAGDPI TVKNAVCIHE DATA SEQUENCE EDDGLLFKHS DFRDNFATSL VTRATKLVVS QIFTAANXEY CLYWVFMQDG DATA SEQUENCE AIRLDIRLTG ILNTYILGDD EEAGPWGTRV YPNVNAHNHQ HLFSLRIDPR DATA SEQUENCE IDGDGNSAAA CDAKSSPYPL GSPENMYGNA FYSEKTTFKT VKDSLTNYES DATA SEQUENCE ATGRSWDIFN PNKVNPYSGK PPSYKLVSTQ CPPLLAKEGS LVAKRAPWAS DATA SEQUENCE HSVNVVPYKD NRLYPSGDHV PQWSGDGVRG MREWIGDGSE NIDNTDILFF DATA SEQUENCE HTFGITHFPA PEDFPLMPAE PITLMLRPRH FFTENPGLDI QPSYAMTTSE DATA SEQUENCE AKRAV 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 18 P HA 0.000 nan 4.420 nan 0.000 0.216 18 P C 0.000 177.301 177.300 0.001 0.000 1.155 18 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 18 P CB 0.000 31.696 31.700 -0.007 0.000 0.726 19 A N 0.308 123.129 122.820 0.001 0.000 2.301 19 A HA 0.667 4.987 4.320 0.001 0.000 0.312 19 A C 0.217 177.807 177.584 0.011 0.000 1.182 19 A CA -0.525 51.516 52.037 0.006 0.000 0.826 19 A CB 0.259 19.262 19.000 0.006 0.000 1.134 19 A HN 0.428 nan 8.150 nan 0.000 0.501 20 R N 2.041 122.548 120.500 0.012 0.000 2.698 20 R HA 0.254 4.595 4.340 0.001 0.000 0.266 20 R C -1.948 174.367 176.300 0.025 0.000 1.026 20 R CA -0.623 55.485 56.100 0.012 0.000 1.102 20 R CB -0.025 30.278 30.300 0.005 0.000 0.978 20 R HN 0.613 nan 8.270 nan 0.000 0.436 21 P HA 0.116 nan 4.420 nan 0.000 0.279 21 P C -0.278 177.069 177.300 0.079 0.000 1.276 21 P CA -0.359 62.778 63.100 0.063 0.000 0.801 21 P CB 0.901 32.650 31.700 0.083 0.000 1.127 22 A N 0.095 122.985 122.820 0.116 0.000 1.877 22 A HA -0.139 4.182 4.320 0.001 0.000 0.216 22 A C 1.097 178.796 177.584 0.192 0.000 1.186 22 A CA 1.483 53.607 52.037 0.144 0.000 0.620 22 A CB -1.361 17.733 19.000 0.157 0.000 0.822 22 A HN 0.794 nan 8.150 nan 0.000 0.443 23 H N -1.890 117.251 119.070 0.117 0.000 2.495 23 H HA 0.427 4.984 4.556 0.001 0.000 0.348 23 H C -2.257 173.056 175.328 -0.024 0.000 1.113 23 H CA -2.129 53.989 56.048 0.117 0.000 1.195 23 H CB 2.007 31.932 29.762 0.272 0.000 1.521 23 H HN -0.068 nan 8.280 nan 0.000 0.509 24 P HA -0.139 nan 4.420 nan 0.000 0.223 24 P C 0.624 177.957 177.300 0.054 0.000 1.144 24 P CA 1.179 64.192 63.100 -0.146 0.000 0.783 24 P CB 0.261 31.665 31.700 -0.494 0.000 0.771 25 L N -1.980 119.379 121.223 0.226 0.000 2.607 25 L HA 0.151 4.492 4.340 0.001 0.000 0.228 25 L C 0.273 177.064 176.870 -0.132 0.000 1.123 25 L CA -0.188 54.535 54.840 -0.196 0.000 0.890 25 L CB -0.360 41.267 42.059 -0.721 0.000 1.103 25 L HN -0.137 nan 8.230 nan 0.000 0.468 26 D N 1.964 122.448 120.400 0.139 0.000 2.455 26 D HA 0.125 4.765 4.640 0.001 0.000 0.241 26 D C -2.025 174.378 176.300 0.171 0.000 1.138 26 D CA -1.029 53.127 54.000 0.260 0.000 0.877 26 D CB 0.701 41.642 40.800 0.236 0.000 1.187 26 D HN -0.066 nan 8.370 nan 0.000 0.451 27 P HA 0.018 nan 4.420 nan 0.000 0.270 27 P C 0.183 177.579 177.300 0.160 0.000 1.227 27 P CA -0.243 62.968 63.100 0.186 0.000 0.788 27 P CB 0.560 32.395 31.700 0.225 0.000 0.926 28 L N 0.518 121.833 121.223 0.154 0.000 2.483 28 L HA 0.079 4.420 4.340 0.001 0.000 0.276 28 L C 1.286 178.214 176.870 0.097 0.000 1.213 28 L CA 0.117 55.024 54.840 0.112 0.000 0.843 28 L CB -0.062 42.061 42.059 0.107 0.000 1.107 28 L HN 0.501 nan 8.230 nan 0.000 0.487 29 S N -0.552 115.167 115.700 0.032 0.000 2.669 29 S HA 0.153 4.623 4.470 0.001 0.000 0.270 29 S C 1.215 175.746 174.600 -0.115 0.000 1.225 29 S CA -0.172 57.992 58.200 -0.059 0.000 0.991 29 S CB 1.418 64.585 63.200 -0.056 0.000 0.987 29 S HN 0.768 nan 8.310 nan 0.000 0.552 30 T N -1.116 113.280 114.554 -0.263 0.000 2.803 30 T HA -0.118 4.232 4.350 0.001 0.000 0.269 30 T C 1.912 176.548 174.700 -0.107 0.000 1.052 30 T CA 1.190 63.171 62.100 -0.198 0.000 1.136 30 T CB -1.024 67.690 68.868 -0.255 0.000 0.864 30 T HN 0.885 nan 8.240 nan 0.000 0.467 31 A N 1.798 124.562 122.820 -0.094 0.000 1.898 31 A HA -0.030 4.291 4.320 0.001 0.000 0.216 31 A C 2.320 179.879 177.584 -0.042 0.000 1.181 31 A CA 1.441 53.443 52.037 -0.059 0.000 0.620 31 A CB -0.587 18.385 19.000 -0.047 0.000 0.819 31 A HN 0.633 nan 8.150 nan 0.000 0.442 32 E N -0.382 119.800 120.200 -0.031 0.000 2.106 32 E HA -0.100 4.250 4.350 0.001 0.000 0.192 32 E C 1.824 178.414 176.600 -0.018 0.000 0.984 32 E CA 0.974 57.367 56.400 -0.011 0.000 0.806 32 E CB -0.242 29.465 29.700 0.012 0.000 0.750 32 E HN 0.678 nan 8.360 nan 0.000 0.458 33 I N 1.077 121.633 120.570 -0.024 0.000 2.163 33 I HA -0.292 3.878 4.170 0.001 0.000 0.243 33 I C 2.431 178.490 176.117 -0.097 0.000 1.085 33 I CA 1.094 62.370 61.300 -0.040 0.000 1.347 33 I CB -0.076 37.913 38.000 -0.019 0.000 1.044 33 I HN -0.027 nan 8.210 nan 0.000 0.408 34 K N 1.317 121.665 120.400 -0.086 0.000 2.057 34 K HA -0.077 4.244 4.320 0.001 0.000 0.206 34 K C 2.021 178.569 176.600 -0.086 0.000 1.050 34 K CA 1.587 57.814 56.287 -0.099 0.000 0.935 34 K CB -0.338 32.120 32.500 -0.071 0.000 0.715 34 K HN 0.273 nan 8.250 nan 0.000 0.439 35 A N 0.252 123.038 122.820 -0.057 0.000 1.969 35 A HA 0.004 4.325 4.320 0.001 0.000 0.218 35 A C 2.270 179.828 177.584 -0.042 0.000 1.169 35 A CA 1.771 53.786 52.037 -0.038 0.000 0.635 35 A CB -0.793 18.195 19.000 -0.021 0.000 0.810 35 A HN 0.408 nan 8.150 nan 0.000 0.445 36 A N -0.142 122.644 122.820 -0.057 0.000 1.854 36 A HA -0.052 4.268 4.320 0.001 0.000 0.214 36 A C 2.468 179.980 177.584 -0.119 0.000 1.192 36 A CA 2.362 54.365 52.037 -0.056 0.000 0.611 36 A CB -1.409 17.574 19.000 -0.028 0.000 0.832 36 A HN 0.735 nan 8.150 nan 0.000 0.442 37 T N -1.697 112.706 114.554 -0.252 0.000 2.833 37 T HA -0.161 4.190 4.350 0.001 0.000 0.269 37 T C 1.652 176.286 174.700 -0.110 0.000 1.054 37 T CA 1.558 63.386 62.100 -0.453 0.000 1.135 37 T CB -0.575 67.776 68.868 -0.863 0.000 0.869 37 T HN 0.341 nan 8.240 nan 0.000 0.466 38 N N 1.379 120.032 118.700 -0.080 0.000 2.084 38 N HA -0.053 4.688 4.740 0.001 0.000 0.190 38 N C 2.111 177.637 175.510 0.027 0.000 1.030 38 N CA 1.858 54.904 53.050 -0.007 0.000 0.849 38 N CB -1.066 37.410 38.487 -0.018 0.000 1.012 38 N HN 0.508 nan 8.380 nan 0.000 0.423 39 T N 0.673 115.230 114.554 0.005 0.000 2.746 39 T HA -0.055 4.296 4.350 0.001 0.000 0.267 39 T C 2.113 176.831 174.700 0.029 0.000 1.039 39 T CA 0.912 63.020 62.100 0.013 0.000 1.142 39 T CB -0.314 68.550 68.868 -0.006 0.000 0.866 39 T HN -0.019 nan 8.240 nan 0.000 0.444 40 V N 1.599 121.529 119.914 0.027 0.000 2.307 40 V HA -0.144 3.977 4.120 0.001 0.000 0.245 40 V C 2.495 178.744 176.094 0.258 0.000 1.045 40 V CA 1.431 63.768 62.300 0.062 0.000 1.024 40 V CB -0.458 31.371 31.823 0.010 0.000 0.651 40 V HN 0.465 nan 8.190 nan 0.000 0.449 41 K N 0.280 120.850 120.400 0.284 0.000 2.103 41 K HA -0.167 4.154 4.320 0.001 0.000 0.207 41 K C 2.369 179.064 176.600 0.158 0.000 1.048 41 K CA 1.836 58.269 56.287 0.244 0.000 0.930 41 K CB -0.375 32.254 32.500 0.214 0.000 0.716 41 K HN 0.433 nan 8.250 nan 0.000 0.444 42 S N 0.618 116.382 115.700 0.105 0.000 2.355 42 S HA -0.153 4.317 4.470 0.001 0.000 0.222 42 S C 1.777 176.384 174.600 0.011 0.000 1.031 42 S CA 0.893 59.124 58.200 0.051 0.000 0.993 42 S CB -0.429 62.793 63.200 0.037 0.000 0.859 42 S HN 0.326 nan 8.310 nan 0.000 0.453 43 Y N 1.386 121.594 120.300 -0.154 0.000 2.165 43 Y HA -0.126 4.424 4.550 0.001 0.000 0.286 43 Y C 0.803 176.420 175.900 -0.471 0.000 1.155 43 Y CA 1.380 59.264 58.100 -0.360 0.000 1.164 43 Y CB -0.224 37.901 38.460 -0.557 0.000 0.978 43 Y HN 0.188 nan 8.280 nan 0.000 0.513 44 F N 0.919 120.944 119.950 0.126 0.000 2.898 44 F HA 0.419 4.946 4.527 0.001 0.000 0.290 44 F C 0.883 176.677 175.800 -0.010 0.000 1.195 44 F CA -0.420 57.601 58.000 0.036 0.000 1.387 44 F CB -0.988 38.046 39.000 0.057 0.000 0.976 44 F HN 0.014 nan 8.300 nan 0.000 0.510 45 A N 0.123 122.967 122.820 0.039 0.000 2.540 45 A HA 0.396 4.717 4.320 0.001 0.000 0.239 45 A C 1.602 179.206 177.584 0.033 0.000 1.061 45 A CA 0.884 52.940 52.037 0.032 0.000 0.758 45 A CB -0.508 18.484 19.000 -0.014 0.000 0.991 45 A HN 1.102 nan 8.150 nan 0.000 0.502 46 G N 1.647 110.470 108.800 0.037 0.000 2.225 46 G HA2 -0.217 3.744 3.960 0.001 0.000 0.254 46 G HA3 -0.217 3.744 3.960 0.001 0.000 0.254 46 G C 0.303 175.224 174.900 0.035 0.000 0.988 46 G CA 0.636 45.753 45.100 0.027 0.000 0.625 46 G HN 0.809 nan 8.290 nan 0.000 0.527 47 K N 0.404 120.841 120.400 0.061 0.000 2.110 47 K HA 0.445 4.766 4.320 0.001 0.000 0.263 47 K C -0.095 176.514 176.600 0.014 0.000 0.975 47 K CA -0.779 55.535 56.287 0.046 0.000 0.895 47 K CB 1.866 34.418 32.500 0.086 0.000 1.060 47 K HN 0.163 nan 8.250 nan 0.000 0.448 48 K N 3.895 124.285 120.400 -0.017 0.000 2.142 48 K HA 0.157 4.477 4.320 0.001 0.000 0.250 48 K C 0.152 176.701 176.600 -0.084 0.000 1.148 48 K CA -0.227 56.039 56.287 -0.034 0.000 1.040 48 K CB -0.403 32.081 32.500 -0.027 0.000 1.569 48 K HN 0.566 nan 8.250 nan 0.000 0.361 49 I N -0.483 120.014 120.570 -0.123 0.000 2.676 49 I HA 0.544 4.715 4.170 0.001 0.000 0.309 49 I C -0.417 175.544 176.117 -0.261 0.000 0.990 49 I CA -0.635 60.516 61.300 -0.248 0.000 1.168 49 I CB 1.957 39.720 38.000 -0.395 0.000 1.343 49 I HN 0.374 nan 8.210 nan 0.000 0.482 50 S N 3.771 119.279 115.700 -0.321 0.000 2.548 50 S HA 0.652 5.122 4.470 0.001 0.000 0.286 50 S C -1.076 173.324 174.600 -0.334 0.000 1.098 50 S CA -0.650 57.415 58.200 -0.224 0.000 0.930 50 S CB 1.365 64.511 63.200 -0.090 0.000 1.070 50 S HN 0.511 nan 8.310 nan 0.000 0.480 51 F N 3.196 123.132 119.950 -0.023 0.000 2.411 51 F HA 0.472 5.000 4.527 0.001 0.000 0.350 51 F C 1.715 177.509 175.800 -0.011 0.000 1.114 51 F CA -0.617 57.374 58.000 -0.014 0.000 1.135 51 F CB 1.350 40.348 39.000 -0.003 0.000 1.120 51 F HN 0.846 nan 8.300 nan 0.000 0.495 52 N N 0.917 119.701 118.700 0.139 0.000 2.510 52 N HA 0.032 4.773 4.740 0.001 0.000 0.186 52 N C -0.401 175.179 175.510 0.117 0.000 1.051 52 N CA 0.657 53.762 53.050 0.091 0.000 0.877 52 N CB 0.689 39.205 38.487 0.047 0.000 1.183 52 N HN 0.558 nan 8.380 nan 0.000 0.443 53 T N 0.509 115.108 114.554 0.075 0.000 3.041 53 T HA 0.443 4.794 4.350 0.001 0.000 0.321 53 T C -1.474 173.200 174.700 -0.044 0.000 1.184 53 T CA -0.457 61.590 62.100 -0.088 0.000 1.050 53 T CB 2.542 71.209 68.868 -0.335 0.000 1.159 53 T HN -0.145 nan 8.240 nan 0.000 0.469 54 V N 2.711 122.598 119.914 -0.044 0.000 2.509 54 V HA 0.743 4.864 4.120 0.001 0.000 0.289 54 V C -0.158 175.959 176.094 0.038 0.000 1.026 54 V CA -0.470 61.844 62.300 0.024 0.000 0.872 54 V CB 1.597 33.427 31.823 0.011 0.000 1.017 54 V HN 0.981 nan 8.190 nan 0.000 0.436 55 T N 3.803 118.404 114.554 0.079 0.000 2.841 55 T HA 0.648 4.998 4.350 0.001 0.000 0.296 55 T C -1.317 173.510 174.700 0.211 0.000 1.166 55 T CA -0.506 61.691 62.100 0.160 0.000 1.007 55 T CB 1.668 70.633 68.868 0.161 0.000 1.253 55 T HN 0.533 nan 8.240 nan 0.000 0.511 56 L N 2.901 124.246 121.223 0.203 0.000 2.416 56 L HA 0.645 4.986 4.340 0.001 0.000 0.272 56 L C 0.130 177.096 176.870 0.160 0.000 1.161 56 L CA -0.007 54.931 54.840 0.163 0.000 0.845 56 L CB 0.526 42.665 42.059 0.132 0.000 1.119 56 L HN 0.602 nan 8.230 nan 0.000 0.464 57 R N 4.375 124.954 120.500 0.132 0.000 2.278 57 R HA 0.319 4.660 4.340 0.001 0.000 0.322 57 R C -0.599 175.727 176.300 0.043 0.000 1.058 57 R CA -0.230 55.922 56.100 0.086 0.000 0.991 57 R CB -0.162 30.199 30.300 0.101 0.000 1.140 57 R HN 0.754 nan 8.270 nan 0.000 0.518 58 E N 5.074 125.285 120.200 0.018 0.000 2.459 58 E HA 0.024 4.375 4.350 0.001 0.000 0.264 58 E C -1.836 174.769 176.600 0.009 0.000 1.055 58 E CA -1.147 55.250 56.400 -0.004 0.000 0.957 58 E CB 0.099 29.774 29.700 -0.040 0.000 0.952 58 E HN 0.547 nan 8.360 nan 0.000 0.448 59 P HA 0.041 nan 4.420 nan 0.000 0.272 59 P C -0.881 176.470 177.300 0.085 0.000 1.240 59 P CA -0.300 62.832 63.100 0.054 0.000 0.791 59 P CB 0.541 32.288 31.700 0.079 0.000 0.978 60 A N 1.840 124.712 122.820 0.088 0.000 2.483 60 A HA 0.011 4.332 4.320 0.001 0.000 0.238 60 A C 1.828 179.490 177.584 0.129 0.000 1.070 60 A CA -0.096 52.002 52.037 0.103 0.000 0.770 60 A CB -0.380 18.668 19.000 0.080 0.000 1.008 60 A HN 0.667 nan 8.150 nan 0.000 0.497 61 R N 0.872 121.428 120.500 0.094 0.000 2.096 61 R HA -0.173 4.167 4.340 0.001 0.000 0.240 61 R C 2.038 178.318 176.300 -0.033 0.000 1.139 61 R CA 2.126 58.169 56.100 -0.095 0.000 0.952 61 R CB -0.126 29.915 30.300 -0.433 0.000 0.854 61 R HN 0.815 nan 8.270 nan 0.000 0.436 62 K N -0.197 120.203 120.400 -0.000 0.000 2.002 62 K HA -0.115 4.206 4.320 0.001 0.000 0.209 62 K C 1.943 178.584 176.600 0.070 0.000 1.048 62 K CA 1.447 57.743 56.287 0.016 0.000 0.930 62 K CB -0.196 32.317 32.500 0.022 0.000 0.714 62 K HN 0.263 nan 8.250 nan 0.000 0.438 63 A N 0.409 123.286 122.820 0.095 0.000 1.908 63 A HA -0.219 4.102 4.320 0.001 0.000 0.218 63 A C 2.110 179.797 177.584 0.172 0.000 1.181 63 A CA 1.567 53.670 52.037 0.111 0.000 0.627 63 A CB -0.910 18.145 19.000 0.092 0.000 0.818 63 A HN 0.546 nan 8.150 nan 0.000 0.445 64 Y N 0.418 120.785 120.300 0.111 0.000 2.145 64 Y HA -0.188 4.363 4.550 0.001 0.000 0.286 64 Y C 2.004 178.078 175.900 0.291 0.000 1.145 64 Y CA 1.922 60.145 58.100 0.205 0.000 1.148 64 Y CB -0.230 38.356 38.460 0.211 0.000 0.981 64 Y HN 0.268 nan 8.280 nan 0.000 0.507 65 I N 0.031 120.736 120.570 0.224 0.000 2.315 65 I HA -0.322 3.849 4.170 0.001 0.000 0.248 65 I C 2.344 178.456 176.117 -0.009 0.000 1.117 65 I CA 1.473 62.830 61.300 0.096 0.000 1.404 65 I CB -0.454 37.598 38.000 0.086 0.000 1.071 65 I HN 0.349 nan 8.210 nan 0.000 0.419 66 Q N -0.385 119.432 119.800 0.028 0.000 2.084 66 Q HA -0.266 4.075 4.340 0.001 0.000 0.202 66 Q C 2.006 177.997 176.000 -0.016 0.000 0.978 66 Q CA 2.100 57.907 55.803 0.006 0.000 0.844 66 Q CB -0.287 28.473 28.738 0.036 0.000 0.898 66 Q HN 0.630 nan 8.270 nan 0.000 0.426 67 W N 1.693 122.895 121.300 -0.163 0.000 2.355 67 W HA -0.157 4.504 4.660 0.001 0.000 0.309 67 W C 2.009 178.379 176.519 -0.249 0.000 1.206 67 W CA 1.232 58.460 57.345 -0.195 0.000 1.284 67 W CB -0.073 29.249 29.460 -0.231 0.000 1.145 67 W HN -0.145 nan 8.180 nan 0.000 0.502 68 K N 0.257 120.336 120.400 -0.535 0.000 2.057 68 K HA -0.182 4.139 4.320 0.001 0.000 0.207 68 K C 1.340 177.637 176.600 -0.505 0.000 1.049 68 K CA 2.091 57.894 56.287 -0.808 0.000 0.931 68 K CB -0.147 32.051 32.500 -0.504 0.000 0.714 68 K HN 0.417 nan 8.250 nan 0.000 0.440 69 E N -1.324 118.704 120.200 -0.287 0.000 2.514 69 E HA 0.025 4.376 4.350 0.001 0.000 0.215 69 E C 0.527 177.037 176.600 -0.150 0.000 0.946 69 E CA -0.031 56.255 56.400 -0.189 0.000 1.038 69 E CB 0.714 30.354 29.700 -0.100 0.000 1.069 69 E HN 0.228 nan 8.360 nan 0.000 0.503 70 Q N 0.214 119.928 119.800 -0.144 0.000 2.135 70 Q HA 0.239 4.580 4.340 0.001 0.000 0.231 70 Q C 0.475 176.415 176.000 -0.100 0.000 0.817 70 Q CA 0.161 55.906 55.803 -0.097 0.000 1.073 70 Q CB 1.511 30.215 28.738 -0.057 0.000 1.176 70 Q HN 0.321 nan 8.270 nan 0.000 0.478 71 G N 0.597 109.301 108.800 -0.159 0.000 2.179 71 G HA2 -0.285 3.675 3.960 0.001 0.000 0.257 71 G HA3 -0.285 3.675 3.960 0.001 0.000 0.257 71 G C 0.458 175.316 174.900 -0.070 0.000 1.010 71 G CA -0.085 44.933 45.100 -0.137 0.000 0.736 71 G HN 0.523 nan 8.290 nan 0.000 0.513 72 G N 0.124 108.898 108.800 -0.043 0.000 2.667 72 G HA2 0.573 4.534 3.960 0.001 0.000 0.250 72 G HA3 0.573 4.534 3.960 0.001 0.000 0.250 72 G C -1.134 173.860 174.900 0.157 0.000 1.212 72 G CA -0.189 44.943 45.100 0.053 0.000 0.874 72 G HN 0.349 nan 8.290 nan 0.000 0.561 73 P HA 0.144 nan 4.420 nan 0.000 0.272 73 P C -0.395 177.020 177.300 0.191 0.000 1.230 73 P CA -0.691 62.504 63.100 0.158 0.000 0.788 73 P CB 0.980 32.726 31.700 0.078 0.000 0.949 74 L N 3.937 125.221 121.223 0.102 0.000 2.410 74 L HA 0.280 4.621 4.340 0.001 0.000 0.273 74 L C -2.083 174.691 176.870 -0.159 0.000 1.144 74 L CA -1.638 53.097 54.840 -0.175 0.000 0.863 74 L CB -0.797 41.189 42.059 -0.122 0.000 1.140 74 L HN 0.280 nan 8.230 nan 0.000 0.463 75 P HA 0.193 nan 4.420 nan 0.000 0.269 75 P C -2.540 174.708 177.300 -0.086 0.000 1.215 75 P CA -0.860 62.173 63.100 -0.112 0.000 0.780 75 P CB -0.383 31.258 31.700 -0.098 0.000 0.898 76 P HA 0.184 nan 4.420 nan 0.000 0.268 76 P C -0.364 176.926 177.300 -0.016 0.000 1.205 76 P CA -0.090 63.000 63.100 -0.017 0.000 0.771 76 P CB 0.383 32.085 31.700 0.004 0.000 0.858 77 R N 3.055 123.550 120.500 -0.009 0.000 2.210 77 R HA 0.414 4.755 4.340 0.001 0.000 0.338 77 R C -0.826 175.491 176.300 0.028 0.000 1.062 77 R CA 0.054 56.156 56.100 0.003 0.000 0.902 77 R CB -0.780 29.521 30.300 0.001 0.000 1.050 77 R HN 0.432 nan 8.270 nan 0.000 0.461 78 L N 2.541 123.791 121.223 0.044 0.000 2.341 78 L HA 0.844 5.185 4.340 0.001 0.000 0.267 78 L C -0.428 176.504 176.870 0.102 0.000 1.009 78 L CA -1.351 53.531 54.840 0.071 0.000 0.819 78 L CB 2.248 44.350 42.059 0.071 0.000 1.323 78 L HN 0.662 nan 8.230 nan 0.000 0.425 79 A N 1.128 124.028 122.820 0.134 0.000 2.356 79 A HA 0.608 4.929 4.320 0.001 0.000 0.310 79 A C -1.771 175.962 177.584 0.249 0.000 1.075 79 A CA -0.388 51.751 52.037 0.170 0.000 0.746 79 A CB 1.155 20.236 19.000 0.135 0.000 1.221 79 A HN 0.586 nan 8.150 nan 0.000 0.443 80 Y N 3.338 123.707 120.300 0.115 0.000 2.328 80 Y HA 0.601 5.152 4.550 0.001 0.000 0.337 80 Y C -0.802 175.179 175.900 0.134 0.000 1.008 80 Y CA -1.081 57.067 58.100 0.080 0.000 1.129 80 Y CB 0.718 39.206 38.460 0.045 0.000 1.185 80 Y HN 0.723 nan 8.280 nan 0.000 0.476 81 Y N 3.387 123.365 120.300 -0.538 0.000 2.562 81 Y HA 0.858 5.409 4.550 0.001 0.000 0.343 81 Y C -1.943 173.608 175.900 -0.582 0.000 1.025 81 Y CA -1.788 56.051 58.100 -0.434 0.000 1.082 81 Y CB 1.289 39.735 38.460 -0.024 0.000 1.264 81 Y HN 0.344 nan 8.280 nan 0.000 0.478 82 V N 4.485 124.308 119.914 -0.152 0.000 2.612 82 V HA 0.516 4.637 4.120 0.001 0.000 0.301 82 V C -0.386 175.717 176.094 0.015 0.000 1.059 82 V CA -0.725 61.495 62.300 -0.132 0.000 0.886 82 V CB 1.411 33.182 31.823 -0.085 0.000 1.007 82 V HN 0.875 nan 8.190 nan 0.000 0.426 83 I N 2.571 123.111 120.570 -0.050 0.000 3.042 83 I HA 0.723 4.894 4.170 0.001 0.000 0.310 83 I C -1.521 174.465 176.117 -0.217 0.000 1.117 83 I CA -1.058 60.118 61.300 -0.208 0.000 1.003 83 I CB 2.524 40.260 38.000 -0.441 0.000 1.228 83 I HN 0.261 nan 8.210 nan 0.000 0.443 84 L N 2.026 123.106 121.223 -0.239 0.000 2.362 84 L HA 0.559 4.900 4.340 0.001 0.000 0.271 84 L C -0.593 176.145 176.870 -0.219 0.000 1.002 84 L CA -0.312 54.416 54.840 -0.187 0.000 0.818 84 L CB 1.893 43.876 42.059 -0.126 0.000 1.298 84 L HN 0.803 nan 8.230 nan 0.000 0.420 85 E N 1.727 121.817 120.200 -0.184 0.000 2.176 85 E HA 0.581 4.932 4.350 0.001 0.000 0.267 85 E C -0.533 176.005 176.600 -0.104 0.000 0.893 85 E CA -0.679 55.620 56.400 -0.168 0.000 0.761 85 E CB 2.030 31.625 29.700 -0.175 0.000 1.133 85 E HN 0.726 nan 8.360 nan 0.000 0.409 86 A N 3.159 125.929 122.820 -0.083 0.000 2.567 86 A HA 0.385 4.706 4.320 0.001 0.000 0.240 86 A C 1.300 178.858 177.584 -0.042 0.000 1.053 86 A CA 0.881 52.886 52.037 -0.054 0.000 0.755 86 A CB -0.561 18.415 19.000 -0.041 0.000 0.978 86 A HN 1.283 nan 8.150 nan 0.000 0.507 87 G N 1.394 110.174 108.800 -0.033 0.000 2.184 87 G HA2 -0.217 3.744 3.960 0.001 0.000 0.264 87 G HA3 -0.217 3.744 3.960 0.001 0.000 0.264 87 G C 0.285 175.171 174.900 -0.023 0.000 0.975 87 G CA 0.786 45.872 45.100 -0.023 0.000 0.642 87 G HN 0.747 nan 8.290 nan 0.000 0.536 88 K N 1.071 121.449 120.400 -0.036 0.000 2.164 88 K HA 0.558 4.878 4.320 0.001 0.000 0.258 88 K C -2.236 174.342 176.600 -0.036 0.000 0.951 88 K CA -1.789 54.477 56.287 -0.035 0.000 0.844 88 K CB 2.147 34.615 32.500 -0.054 0.000 1.099 88 K HN 0.178 nan 8.250 nan 0.000 0.435 89 P HA 0.251 nan 4.420 nan 0.000 0.282 89 P C 0.509 177.788 177.300 -0.034 0.000 1.249 89 P CA 0.103 63.192 63.100 -0.019 0.000 0.806 89 P CB 0.944 32.643 31.700 -0.002 0.000 0.984 90 G N 0.999 109.777 108.800 -0.037 0.000 2.531 90 G HA2 -0.080 3.880 3.960 0.001 0.000 0.274 90 G HA3 -0.080 3.880 3.960 0.001 0.000 0.274 90 G C -0.255 174.584 174.900 -0.101 0.000 1.159 90 G CA 0.536 45.599 45.100 -0.063 0.000 0.969 90 G HN 1.016 nan 8.290 nan 0.000 0.554 91 V N -3.738 116.095 119.914 -0.135 0.000 3.181 91 V HA 0.960 5.081 4.120 0.001 0.000 0.307 91 V C -0.665 175.341 176.094 -0.147 0.000 1.310 91 V CA -0.328 61.873 62.300 -0.166 0.000 1.067 91 V CB 1.888 33.567 31.823 -0.239 0.000 1.081 91 V HN 1.149 nan 8.190 nan 0.000 0.453 92 K N 0.676 120.986 120.400 -0.149 0.000 2.464 92 K HA 0.690 5.011 4.320 0.001 0.000 0.253 92 K C -1.363 175.172 176.600 -0.109 0.000 0.933 92 K CA -0.515 55.712 56.287 -0.099 0.000 0.801 92 K CB 2.518 34.936 32.500 -0.137 0.000 1.271 92 K HN 1.025 nan 8.250 nan 0.000 0.430 93 E N 0.627 120.742 120.200 -0.142 0.000 2.429 93 E HA 0.817 5.168 4.350 0.001 0.000 0.276 93 E C -0.502 175.769 176.600 -0.548 0.000 0.953 93 E CA -1.314 54.846 56.400 -0.400 0.000 0.787 93 E CB 2.319 31.973 29.700 -0.078 0.000 1.307 93 E HN 0.634 nan 8.360 nan 0.000 0.458 94 G N 0.180 108.360 108.800 -1.033 0.000 2.340 94 G HA2 0.405 4.365 3.960 0.001 0.000 0.299 94 G HA3 0.405 4.365 3.960 0.001 0.000 0.299 94 G C -1.796 172.892 174.900 -0.353 0.000 1.291 94 G CA -1.024 43.734 45.100 -0.570 0.000 0.841 94 G HN 0.394 nan 8.290 nan 0.000 0.500 95 L N -0.203 121.048 121.223 0.045 0.000 2.354 95 L HA 0.769 5.109 4.340 0.001 0.000 0.269 95 L C -0.498 176.511 176.870 0.233 0.000 1.005 95 L CA -1.228 53.717 54.840 0.176 0.000 0.819 95 L CB 2.234 44.367 42.059 0.123 0.000 1.311 95 L HN 0.335 nan 8.230 nan 0.000 0.423 96 V N 0.717 120.764 119.914 0.222 0.000 2.495 96 V HA 0.193 4.313 4.120 0.001 0.000 0.298 96 V C -0.791 175.359 176.094 0.094 0.000 1.031 96 V CA -0.525 61.860 62.300 0.142 0.000 0.871 96 V CB 2.042 33.938 31.823 0.123 0.000 0.988 96 V HN 0.707 nan 8.190 nan 0.000 0.432 97 D N 3.752 124.189 120.400 0.062 0.000 2.411 97 D HA 0.302 4.943 4.640 0.001 0.000 0.225 97 D C 1.070 177.392 176.300 0.036 0.000 1.156 97 D CA -0.150 53.878 54.000 0.046 0.000 0.874 97 D CB 0.871 41.693 40.800 0.036 0.000 1.034 97 D HN 0.435 nan 8.370 nan 0.000 0.502 98 L N 3.280 124.524 121.223 0.036 0.000 2.043 98 L HA -0.212 4.129 4.340 0.001 0.000 0.212 98 L C 2.418 179.298 176.870 0.017 0.000 1.075 98 L CA 1.492 56.347 54.840 0.026 0.000 0.752 98 L CB -0.446 41.628 42.059 0.026 0.000 0.891 98 L HN 0.548 nan 8.230 nan 0.000 0.432 99 A N -0.283 122.547 122.820 0.016 0.000 1.940 99 A HA -0.205 4.116 4.320 0.001 0.000 0.219 99 A C 2.323 179.915 177.584 0.013 0.000 1.176 99 A CA 2.115 54.160 52.037 0.012 0.000 0.631 99 A CB -0.530 18.476 19.000 0.010 0.000 0.814 99 A HN 0.529 nan 8.150 nan 0.000 0.446 100 S N -1.394 114.316 115.700 0.017 0.000 2.557 100 S HA 0.424 4.895 4.470 0.001 0.000 0.223 100 S C 0.440 175.051 174.600 0.018 0.000 0.969 100 S CA 0.053 58.263 58.200 0.017 0.000 0.927 100 S CB -0.576 62.636 63.200 0.019 0.000 0.806 100 S HN 0.571 nan 8.310 nan 0.000 0.489 101 L N 2.196 123.430 121.223 0.017 0.000 3.895 101 L HA -0.192 4.149 4.340 0.001 0.000 0.511 101 L C -0.054 176.828 176.870 0.020 0.000 1.222 101 L CA 0.544 55.393 54.840 0.016 0.000 0.739 101 L CB -2.245 39.821 42.059 0.012 0.000 1.425 101 L HN 0.715 nan 8.230 nan 0.000 0.817 102 S N -2.050 113.664 115.700 0.023 0.000 2.541 102 S HA 0.693 5.164 4.470 0.001 0.000 0.271 102 S C -0.411 174.193 174.600 0.008 0.000 1.133 102 S CA -1.089 57.125 58.200 0.023 0.000 0.876 102 S CB 2.392 65.612 63.200 0.032 0.000 1.105 102 S HN -0.030 nan 8.310 nan 0.000 0.470 103 V N 3.244 123.132 119.914 -0.043 0.000 2.439 103 V HA 0.183 4.304 4.120 0.001 0.000 0.271 103 V C 1.215 177.272 176.094 -0.062 0.000 1.040 103 V CA -0.117 62.116 62.300 -0.113 0.000 1.002 103 V CB 0.116 31.627 31.823 -0.521 0.000 1.000 103 V HN 0.891 nan 8.190 nan 0.000 0.477 104 I N 1.504 122.077 120.570 0.005 0.000 3.956 104 I HA 0.526 4.697 4.170 0.001 0.000 0.333 104 I C 0.503 176.632 176.117 0.020 0.000 1.302 104 I CA 0.267 61.578 61.300 0.018 0.000 1.122 104 I CB 0.381 38.401 38.000 0.034 0.000 1.013 104 I HN 0.661 nan 8.210 nan 0.000 0.405 105 E N 0.583 120.792 120.200 0.016 0.000 2.451 105 E HA 0.422 4.772 4.350 0.001 0.000 0.295 105 E C -1.413 175.199 176.600 0.019 0.000 0.966 105 E CA -0.425 55.989 56.400 0.024 0.000 0.808 105 E CB 2.208 31.928 29.700 0.034 0.000 1.242 105 E HN 0.107 nan 8.360 nan 0.000 0.412 106 T N 2.597 117.171 114.554 0.033 0.000 2.885 106 T HA 0.658 5.009 4.350 0.001 0.000 0.322 106 T C -1.973 172.782 174.700 0.093 0.000 1.387 106 T CA -0.645 61.497 62.100 0.069 0.000 1.041 106 T CB 1.065 70.010 68.868 0.129 0.000 1.287 106 T HN 0.670 nan 8.240 nan 0.000 0.491 107 R N 1.415 121.967 120.500 0.087 0.000 2.690 107 R HA 0.821 5.162 4.340 0.001 0.000 0.269 107 R C -1.863 174.473 176.300 0.060 0.000 1.037 107 R CA -1.147 55.001 56.100 0.080 0.000 0.877 107 R CB 0.997 31.330 30.300 0.055 0.000 1.255 107 R HN 0.708 nan 8.270 nan 0.000 0.467 108 A N 2.172 125.023 122.820 0.052 0.000 2.288 108 A HA 0.636 4.956 4.320 0.001 0.000 0.320 108 A C -1.144 176.440 177.584 -0.000 0.000 1.217 108 A CA -0.749 51.298 52.037 0.017 0.000 0.840 108 A CB 0.990 20.007 19.000 0.029 0.000 1.179 108 A HN 0.392 nan 8.150 nan 0.000 0.504 109 L N 2.988 124.191 121.223 -0.034 0.000 2.387 109 L HA 0.341 4.682 4.340 0.001 0.000 0.259 109 L C 0.886 177.727 176.870 -0.048 0.000 1.050 109 L CA 0.275 55.092 54.840 -0.039 0.000 0.922 109 L CB 0.415 42.431 42.059 -0.071 0.000 1.280 109 L HN 0.891 nan 8.230 nan 0.000 0.449 110 E N 0.149 120.337 120.200 -0.020 0.000 2.482 110 E HA -0.036 4.315 4.350 0.001 0.000 0.196 110 E C 0.447 177.047 176.600 -0.000 0.000 1.047 110 E CA 0.824 57.215 56.400 -0.015 0.000 0.869 110 E CB 0.263 29.963 29.700 -0.001 0.000 0.836 110 E HN 0.623 nan 8.360 nan 0.000 0.520 111 T N -1.581 112.978 114.554 0.008 0.000 3.293 111 T HA 0.408 4.759 4.350 0.001 0.000 0.276 111 T C -0.142 174.585 174.700 0.045 0.000 1.003 111 T CA -0.434 61.687 62.100 0.036 0.000 0.916 111 T CB 0.358 69.255 68.868 0.049 0.000 1.134 111 T HN -0.134 nan 8.240 nan 0.000 0.530 112 V N 0.688 120.608 119.914 0.011 0.000 3.102 112 V HA 0.649 4.770 4.120 0.001 0.000 0.312 112 V C -1.697 174.392 176.094 -0.009 0.000 1.135 112 V CA -0.758 61.550 62.300 0.012 0.000 1.022 112 V CB 2.482 34.284 31.823 -0.035 0.000 1.056 112 V HN 0.366 nan 8.190 nan 0.000 0.436 113 Q N 3.699 123.520 119.800 0.034 0.000 2.372 113 Q HA 0.568 4.909 4.340 0.001 0.000 0.273 113 Q C -2.733 173.300 176.000 0.056 0.000 1.078 113 Q CA -1.814 54.004 55.803 0.025 0.000 0.806 113 Q CB 2.616 31.391 28.738 0.062 0.000 1.332 113 Q HN 0.495 nan 8.270 nan 0.000 0.435 114 P HA 0.348 nan 4.420 nan 0.000 0.284 114 P C 0.006 177.373 177.300 0.111 0.000 1.287 114 P CA -0.820 62.362 63.100 0.137 0.000 0.824 114 P CB 1.223 32.979 31.700 0.093 0.000 1.180 115 I N 0.143 120.800 120.570 0.145 0.000 2.880 115 I HA -0.098 4.072 4.170 0.001 0.000 0.296 115 I C -0.156 176.026 176.117 0.109 0.000 1.220 115 I CA 0.113 61.473 61.300 0.101 0.000 1.435 115 I CB 0.061 38.177 38.000 0.192 0.000 1.339 115 I HN 0.116 nan 8.210 nan 0.000 0.583 116 L N 7.560 128.829 121.223 0.077 0.000 2.261 116 L HA 0.242 4.582 4.340 0.001 0.000 0.289 116 L C 0.594 177.539 176.870 0.125 0.000 1.059 116 L CA -0.415 54.492 54.840 0.112 0.000 0.816 116 L CB 0.871 43.026 42.059 0.160 0.000 1.191 116 L HN 0.657 nan 8.230 nan 0.000 0.431 117 T N -0.702 113.852 114.554 0.000 0.000 2.828 117 T HA 0.126 4.477 4.350 0.001 0.000 0.290 117 T C 1.470 176.095 174.700 -0.125 0.000 1.019 117 T CA -0.301 61.662 62.100 -0.228 0.000 1.031 117 T CB 1.524 70.181 68.868 -0.350 0.000 1.001 117 T HN 0.393 nan 8.240 nan 0.000 0.531 118 V N -0.171 119.636 119.914 -0.179 0.000 2.688 118 V HA -0.095 4.026 4.120 0.001 0.000 0.256 118 V C 2.119 178.193 176.094 -0.034 0.000 1.084 118 V CA 1.840 64.104 62.300 -0.060 0.000 1.103 118 V CB -1.129 30.672 31.823 -0.037 0.000 0.688 118 V HN 0.960 nan 8.190 nan 0.000 0.480 119 E N 1.060 121.223 120.200 -0.062 0.000 2.072 119 E HA -0.161 4.190 4.350 0.001 0.000 0.190 119 E C 1.828 178.425 176.600 -0.005 0.000 0.982 119 E CA 1.547 57.932 56.400 -0.025 0.000 0.803 119 E CB -0.139 29.543 29.700 -0.030 0.000 0.755 119 E HN 0.907 nan 8.360 nan 0.000 0.453 120 D N 0.260 120.657 120.400 -0.006 0.000 2.277 120 D HA -0.098 4.543 4.640 0.001 0.000 0.208 120 D C 1.720 178.043 176.300 0.039 0.000 0.962 120 D CA 0.529 54.538 54.000 0.016 0.000 0.865 120 D CB -0.111 40.701 40.800 0.021 0.000 0.939 120 D HN 0.154 nan 8.370 nan 0.000 0.510 121 L N -0.198 121.052 121.223 0.046 0.000 2.162 121 L HA 0.004 4.345 4.340 0.001 0.000 0.205 121 L C 1.819 178.725 176.870 0.060 0.000 1.086 121 L CA 0.384 55.266 54.840 0.070 0.000 0.778 121 L CB -0.099 42.004 42.059 0.074 0.000 0.928 121 L HN 0.156 nan 8.230 nan 0.000 0.446 122 C N -0.274 119.052 119.300 0.043 0.000 2.432 122 C HA -0.096 4.365 4.460 0.001 0.000 0.282 122 C C 3.009 178.025 174.990 0.043 0.000 1.388 122 C CA 1.201 60.247 59.018 0.046 0.000 1.777 122 C CB -0.841 26.922 27.740 0.037 0.000 1.882 122 C HN 0.645 nan 8.230 nan 0.000 0.520 123 S N -0.846 114.876 115.700 0.037 0.000 2.470 123 S HA -0.094 4.377 4.470 0.001 0.000 0.225 123 S C 1.489 176.109 174.600 0.033 0.000 1.006 123 S CA 1.309 59.527 58.200 0.030 0.000 0.934 123 S CB -0.716 62.497 63.200 0.022 0.000 0.778 123 S HN 0.578 nan 8.310 nan 0.000 0.517 124 T N 2.586 117.167 114.554 0.046 0.000 2.699 124 T HA -0.168 4.183 4.350 0.001 0.000 0.268 124 T C 1.654 176.384 174.700 0.051 0.000 1.036 124 T CA 1.868 63.999 62.100 0.052 0.000 1.147 124 T CB -0.395 68.518 68.868 0.074 0.000 0.862 124 T HN 0.644 nan 8.240 nan 0.000 0.446 125 E N 0.241 120.474 120.200 0.055 0.000 2.077 125 E HA -0.188 4.163 4.350 0.001 0.000 0.193 125 E C 2.258 178.865 176.600 0.012 0.000 0.989 125 E CA 1.082 57.507 56.400 0.042 0.000 0.800 125 E CB 0.007 29.733 29.700 0.044 0.000 0.746 125 E HN 0.271 nan 8.360 nan 0.000 0.452 126 E N -0.153 120.053 120.200 0.010 0.000 2.106 126 E HA -0.132 4.219 4.350 0.001 0.000 0.192 126 E C 2.021 178.626 176.600 0.008 0.000 0.984 126 E CA 0.982 57.382 56.400 0.001 0.000 0.806 126 E CB -0.064 29.638 29.700 0.003 0.000 0.750 126 E HN 0.285 nan 8.360 nan 0.000 0.458 127 V N 0.551 120.475 119.914 0.016 0.000 2.427 127 V HA -0.177 3.944 4.120 0.001 0.000 0.248 127 V C 2.116 178.222 176.094 0.021 0.000 1.051 127 V CA 1.750 64.059 62.300 0.015 0.000 1.048 127 V CB -0.644 31.188 31.823 0.014 0.000 0.666 127 V HN 0.429 nan 8.190 nan 0.000 0.456 128 I N -1.471 119.118 120.570 0.032 0.000 2.439 128 I HA -0.036 4.135 4.170 0.001 0.000 0.251 128 I C 2.695 178.840 176.117 0.047 0.000 1.139 128 I CA 1.403 62.732 61.300 0.049 0.000 1.438 128 I CB -0.696 37.349 38.000 0.075 0.000 1.085 128 I HN 0.108 nan 8.210 nan 0.000 0.427 129 R N 1.177 121.694 120.500 0.028 0.000 2.120 129 R HA -0.039 4.302 4.340 0.001 0.000 0.234 129 R C 1.203 177.514 176.300 0.019 0.000 1.123 129 R CA 1.342 57.454 56.100 0.019 0.000 0.975 129 R CB -0.268 30.026 30.300 -0.009 0.000 0.866 129 R HN 0.506 nan 8.270 nan 0.000 0.446 130 N N 0.587 119.296 118.700 0.014 0.000 2.270 130 N HA -0.041 4.700 4.740 0.001 0.000 0.198 130 N C -0.708 174.805 175.510 0.005 0.000 1.117 130 N CA 0.247 53.302 53.050 0.009 0.000 0.845 130 N CB 0.344 38.835 38.487 0.006 0.000 0.980 130 N HN 0.203 nan 8.380 nan 0.000 0.486 131 D N 0.641 121.046 120.400 0.008 0.000 2.277 131 D HA 0.187 4.827 4.640 0.001 0.000 0.249 131 D C -1.581 174.710 176.300 -0.015 0.000 1.134 131 D CA -1.965 52.033 54.000 -0.002 0.000 0.863 131 D CB 1.995 42.797 40.800 0.002 0.000 1.143 131 D HN -0.115 nan 8.370 nan 0.000 0.458 132 P HA -0.175 nan 4.420 nan 0.000 0.215 132 P C 0.852 178.116 177.300 -0.059 0.000 1.153 132 P CA 1.327 64.406 63.100 -0.035 0.000 0.853 132 P CB 0.110 31.791 31.700 -0.032 0.000 0.788 133 A N -0.528 122.250 122.820 -0.070 0.000 1.858 133 A HA -0.167 4.154 4.320 0.001 0.000 0.216 133 A C 2.368 179.860 177.584 -0.153 0.000 1.190 133 A CA 2.024 53.993 52.037 -0.113 0.000 0.617 133 A CB -1.745 17.186 19.000 -0.115 0.000 0.827 133 A HN 0.027 nan 8.150 nan 0.000 0.443 134 V N 0.320 120.172 119.914 -0.103 0.000 2.332 134 V HA -0.304 3.817 4.120 0.001 0.000 0.248 134 V C 2.422 178.459 176.094 -0.095 0.000 1.055 134 V CA 2.142 64.388 62.300 -0.091 0.000 1.038 134 V CB -0.766 31.094 31.823 0.062 0.000 0.651 134 V HN 0.568 nan 8.190 nan 0.000 0.450 135 I N -0.022 120.516 120.570 -0.053 0.000 2.226 135 I HA -0.264 3.907 4.170 0.001 0.000 0.245 135 I C 2.606 178.679 176.117 -0.072 0.000 1.100 135 I CA 1.989 63.268 61.300 -0.034 0.000 1.374 135 I CB -0.340 37.649 38.000 -0.019 0.000 1.057 135 I HN 0.430 nan 8.210 nan 0.000 0.413 136 E N 0.512 120.646 120.200 -0.109 0.000 2.150 136 E HA -0.241 4.110 4.350 0.001 0.000 0.193 136 E C 2.107 178.599 176.600 -0.181 0.000 0.985 136 E CA 0.897 57.224 56.400 -0.122 0.000 0.814 136 E CB 0.163 29.791 29.700 -0.119 0.000 0.752 136 E HN 0.404 nan 8.360 nan 0.000 0.466 137 Q N -0.100 119.508 119.800 -0.319 0.000 2.230 137 Q HA -0.083 4.257 4.340 0.001 0.000 0.202 137 Q C 2.242 178.063 176.000 -0.298 0.000 0.963 137 Q CA 0.886 56.370 55.803 -0.532 0.000 0.866 137 Q CB -0.420 27.519 28.738 -1.332 0.000 0.931 137 Q HN 0.417 nan 8.270 nan 0.000 0.452 138 C N -0.461 118.767 119.300 -0.119 0.000 2.466 138 C HA -0.021 4.440 4.460 0.001 0.000 0.278 138 C C 2.800 177.789 174.990 -0.002 0.000 1.288 138 C CA 0.252 59.307 59.018 0.061 0.000 1.722 138 C CB -0.788 27.010 27.740 0.097 0.000 2.017 138 C HN 0.238 nan 8.230 nan 0.000 0.488 139 V N 0.790 120.682 119.914 -0.036 0.000 2.343 139 V HA -0.195 3.926 4.120 0.001 0.000 0.247 139 V C 2.418 178.487 176.094 -0.040 0.000 1.051 139 V CA 1.549 63.828 62.300 -0.036 0.000 1.036 139 V CB -0.676 31.123 31.823 -0.040 0.000 0.654 139 V HN 0.390 nan 8.190 nan 0.000 0.451 140 L N 0.165 121.354 121.223 -0.057 0.000 2.046 140 L HA -0.104 4.237 4.340 0.001 0.000 0.208 140 L C 2.410 179.267 176.870 -0.023 0.000 1.077 140 L CA 1.871 56.681 54.840 -0.050 0.000 0.747 140 L CB -1.187 40.825 42.059 -0.079 0.000 0.896 140 L HN 0.311 nan 8.230 nan 0.000 0.432 141 S N -0.632 115.068 115.700 -0.000 0.000 2.607 141 S HA 0.198 4.668 4.470 0.001 0.000 0.224 141 S C 1.374 175.963 174.600 -0.019 0.000 0.969 141 S CA 0.690 58.908 58.200 0.029 0.000 0.927 141 S CB -0.198 63.077 63.200 0.124 0.000 0.772 141 S HN 0.671 nan 8.310 nan 0.000 0.533 142 G N 1.162 109.940 108.800 -0.037 0.000 2.131 142 G HA2 -0.211 3.750 3.960 0.001 0.000 0.223 142 G HA3 -0.211 3.750 3.960 0.001 0.000 0.223 142 G C -0.123 174.717 174.900 -0.101 0.000 0.990 142 G CA -0.379 44.685 45.100 -0.060 0.000 0.671 142 G HN 0.486 nan 8.290 nan 0.000 0.521 143 I N 1.451 121.964 120.570 -0.094 0.000 2.382 143 I HA 0.335 4.506 4.170 0.001 0.000 0.286 143 I C -2.188 173.906 176.117 -0.038 0.000 1.002 143 I CA -2.575 58.657 61.300 -0.114 0.000 1.135 143 I CB 2.152 40.068 38.000 -0.141 0.000 1.288 143 I HN -0.175 nan 8.210 nan 0.000 0.448 144 P HA -0.020 nan 4.420 nan 0.000 0.265 144 P C 0.547 177.856 177.300 0.015 0.000 1.187 144 P CA 0.055 63.156 63.100 0.002 0.000 0.766 144 P CB 0.857 32.566 31.700 0.015 0.000 0.820 145 A N 3.677 126.504 122.820 0.012 0.000 2.024 145 A HA -0.210 4.111 4.320 0.001 0.000 0.220 145 A C 1.552 179.158 177.584 0.037 0.000 1.164 145 A CA 1.797 53.845 52.037 0.018 0.000 0.643 145 A CB -1.310 17.694 19.000 0.007 0.000 0.806 145 A HN 0.800 nan 8.150 nan 0.000 0.451 146 N N -1.345 117.383 118.700 0.047 0.000 2.383 146 N HA 0.022 4.763 4.740 0.001 0.000 0.192 146 N C 0.493 176.079 175.510 0.128 0.000 1.141 146 N CA 0.360 53.455 53.050 0.074 0.000 0.851 146 N CB 0.070 38.594 38.487 0.062 0.000 0.976 146 N HN 0.532 nan 8.380 nan 0.000 0.465 147 E N -0.018 120.237 120.200 0.092 0.000 2.685 147 E HA 0.205 4.556 4.350 0.001 0.000 0.208 147 E C 0.796 177.381 176.600 -0.024 0.000 0.996 147 E CA -0.333 56.095 56.400 0.046 0.000 1.054 147 E CB 0.359 30.082 29.700 0.040 0.000 1.075 147 E HN 0.294 nan 8.360 nan 0.000 0.460 148 M N 0.618 120.248 119.600 0.050 0.000 2.446 148 M HA -0.122 4.359 4.480 0.001 0.000 0.263 148 M C 1.813 178.100 176.300 -0.021 0.000 1.066 148 M CA 1.284 56.602 55.300 0.030 0.000 1.087 148 M CB -0.901 31.727 32.600 0.046 0.000 1.406 148 M HN 0.374 nan 8.290 nan 0.000 0.459 149 H N -0.932 118.126 119.070 -0.021 0.000 2.556 149 H HA 0.055 4.612 4.556 0.001 0.000 0.268 149 H C 0.810 176.066 175.328 -0.120 0.000 0.996 149 H CA 0.623 56.618 56.048 -0.087 0.000 1.157 149 H CB -0.253 29.480 29.762 -0.048 0.000 1.355 149 H HN 0.366 nan 8.280 nan 0.000 0.597 150 K N 0.819 120.972 120.400 -0.412 0.000 2.358 150 K HA 0.223 4.544 4.320 0.001 0.000 0.197 150 K C 0.014 176.630 176.600 0.027 0.000 1.025 150 K CA -0.089 56.071 56.287 -0.212 0.000 1.104 150 K CB 1.513 33.879 32.500 -0.224 0.000 0.855 150 K HN -0.014 nan 8.250 nan 0.000 0.531 151 V N 2.513 122.408 119.914 -0.032 0.000 2.406 151 V HA 0.184 4.304 4.120 0.001 0.000 0.272 151 V C -0.692 175.327 176.094 -0.125 0.000 1.043 151 V CA -0.359 61.998 62.300 0.095 0.000 0.915 151 V CB 0.006 31.888 31.823 0.099 0.000 0.988 151 V HN 0.055 nan 8.190 nan 0.000 0.466 152 Y N 3.225 123.573 120.300 0.080 0.000 2.659 152 Y HA 0.795 5.346 4.550 0.001 0.000 0.333 152 Y C 0.288 176.259 175.900 0.117 0.000 1.064 152 Y CA -0.980 57.164 58.100 0.075 0.000 1.141 152 Y CB 1.997 40.476 38.460 0.032 0.000 1.316 152 Y HN 0.813 nan 8.280 nan 0.000 0.509 153 C N -0.841 118.636 119.300 0.295 0.000 3.181 153 C HA 0.573 5.034 4.460 0.001 0.000 0.362 153 C C -1.849 173.315 174.990 0.290 0.000 1.125 153 C CA -0.986 58.187 59.018 0.258 0.000 1.265 153 C CB 1.129 28.950 27.740 0.134 0.000 1.632 153 C HN 0.755 nan 8.230 nan 0.000 0.525 154 D N 4.850 125.475 120.400 0.375 0.000 2.274 154 D HA 0.523 5.163 4.640 0.001 0.000 0.239 154 D C -2.308 174.251 176.300 0.432 0.000 1.104 154 D CA -1.077 53.170 54.000 0.411 0.000 0.840 154 D CB 1.927 43.083 40.800 0.592 0.000 1.100 154 D HN 0.570 nan 8.370 nan 0.000 0.477 155 P HA 0.233 nan 4.420 nan 0.000 0.287 155 P C -0.825 176.729 177.300 0.424 0.000 1.294 155 P CA -0.502 62.782 63.100 0.307 0.000 0.776 155 P CB 0.457 32.269 31.700 0.187 0.000 0.889 156 W N 1.336 122.708 121.300 0.119 0.000 2.762 156 W HA 0.394 5.055 4.660 0.001 0.000 0.355 156 W C 0.395 177.022 176.519 0.181 0.000 1.124 156 W CA -0.380 57.087 57.345 0.203 0.000 1.141 156 W CB 0.295 29.840 29.460 0.141 0.000 1.432 156 W HN 0.143 nan 8.180 nan 0.000 0.586 157 T N 1.047 115.870 114.554 0.448 0.000 2.860 157 T HA 0.056 4.406 4.350 0.001 0.000 0.299 157 T C 0.986 175.800 174.700 0.189 0.000 1.045 157 T CA -0.506 61.715 62.100 0.202 0.000 1.071 157 T CB 0.840 69.743 68.868 0.058 0.000 0.985 157 T HN 0.441 nan 8.240 nan 0.000 0.537 158 I N 0.767 121.397 120.570 0.101 0.000 2.756 158 I HA 0.086 4.257 4.170 0.001 0.000 0.262 158 I C 1.690 177.838 176.117 0.051 0.000 1.225 158 I CA 1.594 62.928 61.300 0.057 0.000 1.472 158 I CB -0.845 37.170 38.000 0.024 0.000 1.094 158 I HN 1.087 nan 8.210 nan 0.000 0.454 159 G N 0.233 109.071 108.800 0.063 0.000 5.347 159 G HA2 -0.368 3.593 3.960 0.001 0.000 0.299 159 G HA3 -0.368 3.593 3.960 0.001 0.000 0.299 159 G C 0.011 175.023 174.900 0.186 0.000 1.492 159 G CA 0.384 45.484 45.100 0.000 0.000 0.991 159 G HN 0.476 nan 8.290 nan 0.000 0.749 160 Y N 1.791 122.137 120.300 0.076 0.000 2.357 160 Y HA 0.551 5.102 4.550 0.001 0.000 0.319 160 Y C -2.292 173.669 175.900 0.102 0.000 1.225 160 Y CA -0.564 57.599 58.100 0.106 0.000 1.095 160 Y CB 1.863 40.388 38.460 0.108 0.000 1.302 160 Y HN 0.486 nan 8.280 nan 0.000 0.429 161 D N 5.635 125.588 120.400 -0.745 0.000 2.620 161 D HA 0.138 4.779 4.640 0.001 0.000 0.252 161 D C 0.572 176.430 176.300 -0.737 0.000 1.207 161 D CA -0.254 53.467 54.000 -0.465 0.000 0.884 161 D CB 1.503 42.300 40.800 -0.004 0.000 1.262 161 D HN 0.828 nan 8.370 nan 0.000 0.552 162 E N 3.715 123.547 120.200 -0.614 0.000 2.463 162 E HA -0.174 4.177 4.350 0.001 0.000 0.201 162 E C 0.818 177.213 176.600 -0.341 0.000 1.045 162 E CA 0.550 56.733 56.400 -0.363 0.000 0.872 162 E CB -0.002 29.652 29.700 -0.077 0.000 0.797 162 E HN 0.475 nan 8.360 nan 0.000 0.538 163 R N -0.767 119.430 120.500 -0.504 0.000 2.193 163 R HA 0.038 4.379 4.340 0.001 0.000 0.213 163 R C 1.222 176.938 176.300 -0.973 0.000 1.055 163 R CA 1.151 56.730 56.100 -0.869 0.000 0.995 163 R CB 0.085 29.506 30.300 -1.464 0.000 0.893 163 R HN 0.336 nan 8.270 nan 0.000 0.459 164 W N -0.703 120.494 121.300 -0.171 0.000 2.592 164 W HA 0.301 4.962 4.660 0.001 0.000 0.306 164 W C 0.981 177.460 176.519 -0.067 0.000 0.991 164 W CA 0.438 57.720 57.345 -0.106 0.000 1.430 164 W CB 0.022 29.424 29.460 -0.096 0.000 1.017 164 W HN 0.201 nan 8.180 nan 0.000 0.557 165 G N 2.106 110.945 108.800 0.065 0.000 2.596 165 G HA2 -0.415 3.546 3.960 0.001 0.000 0.295 165 G HA3 -0.415 3.546 3.960 0.001 0.000 0.295 165 G C 0.715 175.742 174.900 0.212 0.000 1.240 165 G CA 2.083 47.289 45.100 0.177 0.000 0.985 165 G HN 0.157 nan 8.290 nan 0.000 0.555 166 T N -1.960 112.715 114.554 0.203 0.000 3.176 166 T HA 0.518 4.868 4.350 0.001 0.000 0.263 166 T C 1.957 176.727 174.700 0.117 0.000 1.021 166 T CA 1.010 63.208 62.100 0.163 0.000 0.905 166 T CB 0.708 69.672 68.868 0.160 0.000 1.057 166 T HN 1.580 nan 8.240 nan 0.000 0.558 167 G N 1.511 110.389 108.800 0.131 0.000 2.471 167 G HA2 0.089 4.049 3.960 0.001 0.000 0.219 167 G HA3 0.089 4.049 3.960 0.001 0.000 0.219 167 G C 0.384 175.334 174.900 0.083 0.000 1.125 167 G CA 0.075 45.239 45.100 0.108 0.000 0.775 167 G HN 0.502 nan 8.290 nan 0.000 0.548 168 K N -0.723 119.722 120.400 0.075 0.000 2.498 168 K HA 0.377 4.698 4.320 0.001 0.000 0.254 168 K C -0.972 175.625 176.600 -0.005 0.000 0.933 168 K CA -0.923 55.368 56.287 0.008 0.000 0.806 168 K CB 2.434 34.896 32.500 -0.062 0.000 1.301 168 K HN -0.008 nan 8.250 nan 0.000 0.432 169 R N 3.025 123.514 120.500 -0.018 0.000 2.242 169 R HA 0.214 4.555 4.340 0.001 0.000 0.334 169 R C -0.984 175.292 176.300 -0.040 0.000 1.071 169 R CA -0.291 55.803 56.100 -0.010 0.000 0.922 169 R CB 0.176 30.471 30.300 -0.008 0.000 1.023 169 R HN 0.275 nan 8.270 nan 0.000 0.458 170 L N 2.994 124.194 121.223 -0.038 0.000 2.319 170 L HA 0.518 4.859 4.340 0.001 0.000 0.267 170 L C -0.283 176.578 176.870 -0.015 0.000 1.011 170 L CA -0.655 54.138 54.840 -0.078 0.000 0.818 170 L CB 1.953 43.916 42.059 -0.159 0.000 1.316 170 L HN 0.687 nan 8.230 nan 0.000 0.432 171 Q N 0.628 120.419 119.800 -0.015 0.000 2.421 171 Q HA 0.583 4.924 4.340 0.001 0.000 0.280 171 Q C -1.430 174.591 176.000 0.034 0.000 1.085 171 Q CA -0.826 55.011 55.803 0.057 0.000 0.807 171 Q CB 3.366 32.155 28.738 0.085 0.000 1.405 171 Q HN 0.622 nan 8.270 nan 0.000 0.419 172 Q N -0.017 119.829 119.800 0.075 0.000 2.342 172 Q HA 0.842 5.183 4.340 0.001 0.000 0.267 172 Q C -1.464 174.560 176.000 0.039 0.000 1.038 172 Q CA -1.055 54.759 55.803 0.018 0.000 0.832 172 Q CB 2.053 30.765 28.738 -0.043 0.000 1.323 172 Q HN 0.519 nan 8.270 nan 0.000 0.448 173 A N 4.102 126.925 122.820 0.005 0.000 2.273 173 A HA 0.480 4.801 4.320 0.001 0.000 0.315 173 A C -0.463 177.073 177.584 -0.080 0.000 1.256 173 A CA -0.838 51.212 52.037 0.022 0.000 0.851 173 A CB 0.540 19.569 19.000 0.049 0.000 1.172 173 A HN 0.800 nan 8.150 nan 0.000 0.508 174 L N 3.926 125.096 121.223 -0.089 0.000 2.325 174 L HA 0.225 4.566 4.340 0.001 0.000 0.284 174 L C -0.360 176.392 176.870 -0.196 0.000 1.089 174 L CA -0.491 54.228 54.840 -0.201 0.000 0.836 174 L CB 0.765 42.719 42.059 -0.174 0.000 1.184 174 L HN 0.423 nan 8.230 nan 0.000 0.444 175 V N 4.495 124.172 119.914 -0.395 0.000 2.530 175 V HA 0.256 4.377 4.120 0.001 0.000 0.282 175 V C -0.329 175.412 176.094 -0.589 0.000 1.048 175 V CA -0.154 61.914 62.300 -0.386 0.000 0.997 175 V CB 0.620 32.120 31.823 -0.538 0.000 0.987 175 V HN 0.430 nan 8.190 nan 0.000 0.477 176 Y N 3.040 123.352 120.300 0.020 0.000 2.665 176 Y HA 0.656 5.207 4.550 0.001 0.000 0.336 176 Y C -0.760 175.270 175.900 0.216 0.000 1.085 176 Y CA -1.043 57.100 58.100 0.072 0.000 1.096 176 Y CB 1.993 40.427 38.460 -0.043 0.000 1.301 176 Y HN 0.578 nan 8.280 nan 0.000 0.493 177 Y N 1.048 121.534 120.300 0.309 0.000 2.421 177 Y HA 0.639 5.190 4.550 0.001 0.000 0.339 177 Y C -1.284 174.775 175.900 0.265 0.000 0.996 177 Y CA -1.300 56.957 58.100 0.261 0.000 1.046 177 Y CB 1.363 39.942 38.460 0.198 0.000 1.226 177 Y HN 0.538 nan 8.280 nan 0.000 0.445 178 R N 3.384 123.498 120.500 -0.643 0.000 2.387 178 R HA 0.315 4.655 4.340 0.001 0.000 0.314 178 R C 0.432 176.078 176.300 -1.090 0.000 0.958 178 R CA -0.054 55.567 56.100 -0.799 0.000 0.846 178 R CB 1.662 31.606 30.300 -0.593 0.000 1.147 178 R HN 0.900 nan 8.270 nan 0.000 0.447 179 S N 0.286 115.406 115.700 -0.966 0.000 2.527 179 S HA -0.042 4.429 4.470 0.001 0.000 0.222 179 S C 0.301 174.703 174.600 -0.330 0.000 0.985 179 S CA 0.240 58.144 58.200 -0.495 0.000 0.921 179 S CB -0.003 63.095 63.200 -0.171 0.000 0.772 179 S HN 0.695 nan 8.310 nan 0.000 0.529 180 D N 0.302 120.455 120.400 -0.411 0.000 2.927 180 D HA 0.191 4.832 4.640 0.001 0.000 0.219 180 D C 0.640 176.772 176.300 -0.280 0.000 1.248 180 D CA -0.554 53.295 54.000 -0.252 0.000 0.861 180 D CB 1.345 42.024 40.800 -0.201 0.000 1.677 180 D HN 0.099 nan 8.370 nan 0.000 0.511 181 E N 1.667 121.772 120.200 -0.158 0.000 2.267 181 E HA -0.228 4.123 4.350 0.001 0.000 0.197 181 E C 0.196 176.659 176.600 -0.227 0.000 0.998 181 E CA 1.032 57.341 56.400 -0.151 0.000 0.830 181 E CB 0.017 29.702 29.700 -0.026 0.000 0.751 181 E HN 0.365 nan 8.360 nan 0.000 0.491 182 D N 1.118 121.390 120.400 -0.213 0.000 2.340 182 D HA 0.036 4.677 4.640 0.001 0.000 0.220 182 D C -0.278 175.879 176.300 -0.238 0.000 1.039 182 D CA 0.236 54.103 54.000 -0.223 0.000 0.866 182 D CB -0.105 40.579 40.800 -0.193 0.000 0.913 182 D HN 0.157 nan 8.370 nan 0.000 0.523 183 D N -0.154 120.037 120.400 -0.349 0.000 2.361 183 D HA 0.026 4.666 4.640 0.001 0.000 0.239 183 D C 0.018 176.094 176.300 -0.374 0.000 1.200 183 D CA 0.272 53.995 54.000 -0.462 0.000 0.915 183 D CB 0.848 41.191 40.800 -0.762 0.000 1.170 183 D HN -0.240 nan 8.370 nan 0.000 0.444 184 S N 0.178 115.705 115.700 -0.288 0.000 2.410 184 S HA 0.037 4.508 4.470 0.001 0.000 0.304 184 S C 1.205 175.788 174.600 -0.029 0.000 1.095 184 S CA -0.662 57.472 58.200 -0.111 0.000 1.089 184 S CB 0.508 63.720 63.200 0.020 0.000 0.968 184 S HN 0.371 nan 8.310 nan 0.000 0.480 185 Q N 4.207 123.850 119.800 -0.261 0.000 2.291 185 Q HA -0.166 4.175 4.340 0.001 0.000 0.206 185 Q C 0.322 176.210 176.000 -0.187 0.000 0.976 185 Q CA 1.633 57.291 55.803 -0.241 0.000 0.875 185 Q CB -0.529 27.906 28.738 -0.505 0.000 0.927 185 Q HN 0.883 nan 8.270 nan 0.000 0.450 186 Y N 2.063 122.331 120.300 -0.053 0.000 2.651 186 Y HA -0.094 4.457 4.550 0.001 0.000 0.296 186 Y C 2.433 178.518 175.900 0.307 0.000 1.150 186 Y CA 1.152 59.255 58.100 0.006 0.000 1.348 186 Y CB -0.063 38.402 38.460 0.008 0.000 0.983 186 Y HN 0.364 nan 8.280 nan 0.000 0.555 187 S N -2.054 113.878 115.700 0.387 0.000 2.548 187 S HA 0.008 4.478 4.470 0.001 0.000 0.215 187 S C 0.165 174.804 174.600 0.065 0.000 0.976 187 S CA 0.106 58.490 58.200 0.306 0.000 0.908 187 S CB -0.325 62.956 63.200 0.134 0.000 0.781 187 S HN 0.439 nan 8.310 nan 0.000 0.519 188 H N 2.387 121.525 119.070 0.115 0.000 2.386 188 H HA 0.465 5.022 4.556 0.001 0.000 0.232 188 H C -2.820 172.649 175.328 0.234 0.000 1.416 188 H CA -1.775 54.352 56.048 0.132 0.000 1.285 188 H CB 0.684 30.504 29.762 0.097 0.000 1.625 188 H HN 0.350 nan 8.280 nan 0.000 0.521 189 P HA 0.099 nan 4.420 nan 0.000 0.276 189 P C -0.083 177.101 177.300 -0.193 0.000 1.252 189 P CA -0.299 62.742 63.100 -0.097 0.000 0.802 189 P CB 1.898 33.499 31.700 -0.165 0.000 1.035 190 L N 1.208 122.230 121.223 -0.335 0.000 2.331 190 L HA 0.279 4.620 4.340 0.001 0.000 0.268 190 L C 1.537 178.216 176.870 -0.318 0.000 1.015 190 L CA -0.495 54.171 54.840 -0.291 0.000 0.807 190 L CB 1.207 43.027 42.059 -0.397 0.000 1.293 190 L HN 0.383 nan 8.230 nan 0.000 0.451 191 D N -0.558 119.760 120.400 -0.136 0.000 2.349 191 D HA -0.028 4.613 4.640 0.001 0.000 0.215 191 D C 0.109 176.551 176.300 0.237 0.000 1.016 191 D CA 0.193 54.218 54.000 0.041 0.000 0.870 191 D CB -0.059 40.798 40.800 0.095 0.000 0.917 191 D HN 0.215 nan 8.370 nan 0.000 0.524 192 F N -0.644 119.359 119.950 0.088 0.000 2.497 192 F HA 0.617 5.145 4.527 0.001 0.000 0.331 192 F C -0.517 175.306 175.800 0.039 0.000 1.060 192 F CA -2.091 55.952 58.000 0.070 0.000 0.989 192 F CB 1.206 40.226 39.000 0.032 0.000 1.245 192 F HN -0.125 nan 8.300 nan 0.000 0.486 193 C N 3.861 123.287 119.300 0.210 0.000 2.455 193 C HA 0.595 5.056 4.460 0.001 0.000 0.321 193 C C -2.829 172.259 174.990 0.164 0.000 1.102 193 C CA -2.133 56.923 59.018 0.064 0.000 1.413 193 C CB 0.043 27.753 27.740 -0.049 0.000 1.952 193 C HN 0.660 nan 8.230 nan 0.000 0.428 194 P HA 0.286 nan 4.420 nan 0.000 0.276 194 P C -0.609 176.743 177.300 0.086 0.000 1.230 194 P CA 0.011 63.207 63.100 0.161 0.000 0.776 194 P CB 0.391 32.194 31.700 0.170 0.000 0.888 195 I N 3.877 124.494 120.570 0.078 0.000 2.336 195 I HA 0.277 4.448 4.170 0.001 0.000 0.292 195 I C 0.061 176.135 176.117 -0.072 0.000 0.991 195 I CA -0.683 60.601 61.300 -0.027 0.000 1.227 195 I CB 1.222 39.152 38.000 -0.117 0.000 1.366 195 I HN 0.049 nan 8.210 nan 0.000 0.466 196 V N 5.128 124.996 119.914 -0.078 0.000 2.555 196 V HA 0.275 4.396 4.120 0.001 0.000 0.302 196 V C -0.007 176.025 176.094 -0.104 0.000 1.038 196 V CA -0.788 61.472 62.300 -0.067 0.000 0.887 196 V CB 2.291 34.107 31.823 -0.012 0.000 0.991 196 V HN 0.641 nan 8.190 nan 0.000 0.434 197 D N 3.125 123.463 120.400 -0.103 0.000 2.336 197 D HA 0.119 4.759 4.640 0.001 0.000 0.249 197 D C 1.179 177.448 176.300 -0.052 0.000 1.213 197 D CA 0.155 54.094 54.000 -0.101 0.000 0.870 197 D CB 1.773 42.517 40.800 -0.094 0.000 1.076 197 D HN 0.601 nan 8.370 nan 0.000 0.483 198 T N 3.357 117.887 114.554 -0.039 0.000 2.607 198 T HA -0.202 4.149 4.350 0.001 0.000 0.267 198 T C 1.539 176.230 174.700 -0.015 0.000 1.049 198 T CA 1.152 63.244 62.100 -0.014 0.000 1.162 198 T CB -0.011 68.856 68.868 -0.002 0.000 0.863 198 T HN 0.558 nan 8.240 nan 0.000 0.424 199 E N 0.469 120.656 120.200 -0.022 0.000 2.051 199 E HA -0.164 4.186 4.350 0.001 0.000 0.192 199 E C 2.118 178.706 176.600 -0.019 0.000 0.991 199 E CA 0.964 57.352 56.400 -0.021 0.000 0.799 199 E CB 0.018 29.703 29.700 -0.025 0.000 0.748 199 E HN 0.322 nan 8.360 nan 0.000 0.449 200 E N 0.659 120.845 120.200 -0.023 0.000 2.418 200 E HA -0.068 4.283 4.350 0.001 0.000 0.197 200 E C 0.057 176.648 176.600 -0.016 0.000 1.026 200 E CA 0.262 56.650 56.400 -0.019 0.000 0.862 200 E CB -0.024 29.662 29.700 -0.023 0.000 0.799 200 E HN 0.212 nan 8.360 nan 0.000 0.518 201 K N 0.762 121.153 120.400 -0.015 0.000 3.419 201 K HA -0.231 4.090 4.320 0.001 0.000 0.272 201 K C -0.247 176.347 176.600 -0.009 0.000 0.973 201 K CA 0.819 57.101 56.287 -0.009 0.000 0.749 201 K CB -1.539 30.959 32.500 -0.003 0.000 1.403 201 K HN 0.314 nan 8.250 nan 0.000 0.456 202 K N -2.606 117.784 120.400 -0.017 0.000 2.578 202 K HA 0.380 4.701 4.320 0.001 0.000 0.269 202 K C -0.613 175.972 176.600 -0.024 0.000 0.941 202 K CA -1.148 55.130 56.287 -0.015 0.000 0.847 202 K CB 1.468 33.959 32.500 -0.014 0.000 1.397 202 K HN -0.105 nan 8.250 nan 0.000 0.422 203 V N 4.135 124.041 119.914 -0.013 0.000 2.479 203 V HA 0.068 4.189 4.120 0.001 0.000 0.281 203 V C 1.331 177.417 176.094 -0.014 0.000 1.031 203 V CA -0.045 62.248 62.300 -0.011 0.000 1.038 203 V CB 0.172 31.998 31.823 0.004 0.000 0.981 203 V HN 0.841 nan 8.190 nan 0.000 0.478 204 I N 1.746 122.297 120.570 -0.031 0.000 3.941 204 I HA 0.498 4.669 4.170 0.001 0.000 0.321 204 I C 0.175 176.390 176.117 0.162 0.000 1.284 204 I CA 0.564 61.867 61.300 0.005 0.000 1.226 204 I CB 0.380 38.318 38.000 -0.104 0.000 1.045 204 I HN 0.468 nan 8.210 nan 0.000 0.420 205 F N 0.978 120.903 119.950 -0.042 0.000 2.744 205 F HA 0.625 5.152 4.527 0.001 0.000 0.311 205 F C -1.888 173.948 175.800 0.059 0.000 1.144 205 F CA -0.955 57.080 58.000 0.059 0.000 0.938 205 F CB 1.799 40.916 39.000 0.195 0.000 1.292 205 F HN -0.247 nan 8.300 nan 0.000 0.444 206 I N 3.469 123.919 120.570 -0.200 0.000 2.512 206 I HA 0.269 4.440 4.170 0.001 0.000 0.287 206 I C -1.412 174.793 176.117 0.147 0.000 1.069 206 I CA -0.798 60.528 61.300 0.043 0.000 1.056 206 I CB 1.840 39.799 38.000 -0.068 0.000 1.229 206 I HN 0.355 nan 8.210 nan 0.000 0.429 207 D N 7.461 128.089 120.400 0.380 0.000 2.317 207 D HA 0.453 5.094 4.640 0.001 0.000 0.252 207 D C -0.348 176.118 176.300 0.276 0.000 1.174 207 D CA 0.285 54.537 54.000 0.419 0.000 0.866 207 D CB 1.633 42.653 40.800 0.367 0.000 1.127 207 D HN 0.275 nan 8.370 nan 0.000 0.467 208 I N 4.529 125.231 120.570 0.220 0.000 2.406 208 I HA 0.227 4.398 4.170 0.001 0.000 0.290 208 I C -1.927 174.290 176.117 0.168 0.000 0.999 208 I CA -1.897 59.508 61.300 0.174 0.000 1.124 208 I CB 2.062 40.102 38.000 0.067 0.000 1.289 208 I HN 0.106 nan 8.210 nan 0.000 0.441 209 P HA 0.159 nan 4.420 nan 0.000 0.272 209 P C -0.152 177.217 177.300 0.116 0.000 1.223 209 P CA -0.294 62.904 63.100 0.165 0.000 0.784 209 P CB 0.970 32.797 31.700 0.211 0.000 0.923 210 N N 0.651 119.408 118.700 0.095 0.000 2.244 210 N HA -0.089 4.652 4.740 0.001 0.000 0.183 210 N C 0.908 176.457 175.510 0.065 0.000 1.016 210 N CA 0.823 53.911 53.050 0.064 0.000 0.866 210 N CB 0.195 38.712 38.487 0.049 0.000 0.980 210 N HN 0.421 nan 8.380 nan 0.000 0.430 211 R N 1.894 122.446 120.500 0.086 0.000 2.215 211 R HA 0.149 4.490 4.340 0.001 0.000 0.336 211 R C -0.752 175.601 176.300 0.089 0.000 0.996 211 R CA -0.510 55.638 56.100 0.080 0.000 0.847 211 R CB 0.578 30.931 30.300 0.088 0.000 1.127 211 R HN -0.127 nan 8.270 nan 0.000 0.465 212 R N 3.486 124.026 120.500 0.066 0.000 2.390 212 R HA 0.250 4.590 4.340 0.001 0.000 0.291 212 R C -0.387 175.941 176.300 0.047 0.000 1.070 212 R CA -0.530 55.609 56.100 0.064 0.000 1.014 212 R CB 0.740 31.067 30.300 0.045 0.000 1.007 212 R HN 0.495 nan 8.270 nan 0.000 0.466 213 R N 1.642 122.167 120.500 0.042 0.000 2.451 213 R HA 0.305 4.646 4.340 0.001 0.000 0.307 213 R C -0.284 176.016 176.300 0.000 0.000 0.965 213 R CA -0.445 55.658 56.100 0.005 0.000 0.865 213 R CB 1.817 32.098 30.300 -0.033 0.000 1.174 213 R HN 0.374 nan 8.270 nan 0.000 0.455 214 K N 1.174 121.573 120.400 -0.003 0.000 2.107 214 K HA 0.326 4.647 4.320 0.001 0.000 0.251 214 K C -0.108 176.480 176.600 -0.020 0.000 1.012 214 K CA -0.836 55.448 56.287 -0.005 0.000 0.920 214 K CB 0.811 33.305 32.500 -0.010 0.000 1.033 214 K HN 0.192 nan 8.250 nan 0.000 0.478 215 V N 1.045 120.944 119.914 -0.026 0.000 2.843 215 V HA -0.115 4.006 4.120 0.001 0.000 0.305 215 V C 0.744 176.850 176.094 0.019 0.000 1.120 215 V CA -0.056 62.236 62.300 -0.012 0.000 1.254 215 V CB 0.591 32.363 31.823 -0.084 0.000 0.901 215 V HN 0.795 nan 8.190 nan 0.000 0.503 216 S N 2.556 118.276 115.700 0.034 0.000 2.562 216 S HA 0.178 4.649 4.470 0.001 0.000 0.281 216 S C 0.612 175.297 174.600 0.142 0.000 1.333 216 S CA -0.277 57.930 58.200 0.011 0.000 1.052 216 S CB 0.430 63.488 63.200 -0.237 0.000 0.884 216 S HN 0.775 nan 8.310 nan 0.000 0.506 217 K N 1.932 122.361 120.400 0.050 0.000 2.437 217 K HA 0.222 4.542 4.320 0.001 0.000 0.205 217 K C -0.315 176.287 176.600 0.003 0.000 1.026 217 K CA -0.071 56.235 56.287 0.031 0.000 1.153 217 K CB 0.120 32.575 32.500 -0.076 0.000 0.863 217 K HN 0.684 nan 8.250 nan 0.000 0.502 218 H N 0.253 119.432 119.070 0.182 0.000 2.509 218 H HA 0.207 4.764 4.556 0.001 0.000 0.359 218 H C -0.094 175.446 175.328 0.355 0.000 1.253 218 H CA -0.318 55.842 56.048 0.185 0.000 1.373 218 H CB 0.798 30.602 29.762 0.071 0.000 1.555 218 H HN -0.165 nan 8.280 nan 0.000 0.586 219 K N 0.847 121.516 120.400 0.448 0.000 2.319 219 K HA 0.057 4.377 4.320 0.001 0.000 0.265 219 K C -0.395 176.498 176.600 0.489 0.000 1.000 219 K CA -0.147 56.374 56.287 0.391 0.000 0.943 219 K CB 0.289 32.963 32.500 0.290 0.000 0.950 219 K HN 0.511 nan 8.250 nan 0.000 0.485 220 H N -0.102 119.115 119.070 0.244 0.000 2.757 220 H HA 0.125 4.682 4.556 0.001 0.000 0.370 220 H C -0.240 175.082 175.328 -0.010 0.000 1.172 220 H CA 0.353 56.500 56.048 0.165 0.000 1.426 220 H CB 0.778 30.487 29.762 -0.090 0.000 1.438 220 H HN 0.660 nan 8.280 nan 0.000 0.612 221 A N 3.853 126.586 122.820 -0.144 0.000 2.621 221 A HA 0.235 4.556 4.320 0.001 0.000 0.329 221 A C -0.184 177.244 177.584 -0.259 0.000 1.458 221 A CA -0.754 51.072 52.037 -0.353 0.000 1.052 221 A CB -0.473 18.060 19.000 -0.777 0.000 1.142 221 A HN 0.658 nan 8.150 nan 0.000 0.523 222 N N 0.856 119.407 118.700 -0.250 0.000 2.485 222 N HA 0.618 5.359 4.740 0.001 0.000 0.280 222 N C -0.146 175.261 175.510 -0.172 0.000 1.205 222 N CA -0.298 52.483 53.050 -0.448 0.000 0.959 222 N CB 1.059 38.884 38.487 -1.104 0.000 1.206 222 N HN 0.591 nan 8.380 nan 0.000 0.545 223 F N -2.400 117.524 119.950 -0.044 0.000 2.899 223 F HA 0.438 4.966 4.527 0.001 0.000 0.337 223 F C -0.420 175.426 175.800 0.076 0.000 1.129 223 F CA -0.825 57.173 58.000 -0.002 0.000 1.128 223 F CB -0.474 38.441 39.000 -0.142 0.000 1.154 223 F HN 0.195 nan 8.300 nan 0.000 0.531 224 Y N 2.706 123.126 120.300 0.200 0.000 2.304 224 Y HA 0.347 4.898 4.550 0.001 0.000 0.327 224 Y C -1.122 174.784 175.900 0.009 0.000 1.209 224 Y CA -1.757 56.394 58.100 0.085 0.000 1.299 224 Y CB 0.509 38.906 38.460 -0.105 0.000 1.249 224 Y HN -0.222 nan 8.280 nan 0.000 0.519 225 P HA -0.310 nan 4.420 nan 0.000 0.218 225 P C 1.061 178.365 177.300 0.007 0.000 1.154 225 P CA 2.648 65.786 63.100 0.062 0.000 0.872 225 P CB 0.128 31.860 31.700 0.052 0.000 0.790 226 K N -1.125 119.221 120.400 -0.090 0.000 2.097 226 K HA -0.195 4.126 4.320 0.001 0.000 0.206 226 K C 1.759 178.296 176.600 -0.105 0.000 1.049 226 K CA 1.629 57.827 56.287 -0.148 0.000 0.933 226 K CB -1.194 31.145 32.500 -0.268 0.000 0.717 226 K HN 0.274 nan 8.250 nan 0.000 0.442 227 H N 0.260 119.346 119.070 0.025 0.000 2.326 227 H HA 0.050 4.607 4.556 0.001 0.000 0.301 227 H C 2.260 177.607 175.328 0.031 0.000 1.081 227 H CA 1.488 57.544 56.048 0.014 0.000 1.334 227 H CB 0.046 29.804 29.762 -0.006 0.000 1.385 227 H HN 0.064 nan 8.280 nan 0.000 0.504 228 M N 0.202 119.902 119.600 0.167 0.000 2.159 228 M HA -0.115 4.366 4.480 0.001 0.000 0.263 228 M C 2.339 178.685 176.300 0.077 0.000 1.063 228 M CA 1.275 56.642 55.300 0.111 0.000 1.110 228 M CB -0.719 31.938 32.600 0.094 0.000 1.374 228 M HN 0.296 nan 8.290 nan 0.000 0.411 229 I N -0.113 120.491 120.570 0.056 0.000 2.361 229 I HA -0.270 3.901 4.170 0.001 0.000 0.251 229 I C 2.502 178.645 176.117 0.045 0.000 1.133 229 I CA 1.145 62.468 61.300 0.039 0.000 1.413 229 I CB -0.214 37.798 38.000 0.020 0.000 1.073 229 I HN 0.375 nan 8.210 nan 0.000 0.424 230 E N 0.339 120.573 120.200 0.058 0.000 2.076 230 E HA -0.213 4.138 4.350 0.001 0.000 0.190 230 E C 2.072 178.715 176.600 0.072 0.000 0.979 230 E CA 0.840 57.278 56.400 0.063 0.000 0.807 230 E CB 0.145 29.891 29.700 0.076 0.000 0.761 230 E HN 0.329 nan 8.360 nan 0.000 0.454 231 K N 0.637 121.089 120.400 0.086 0.000 1.973 231 K HA -0.083 4.237 4.320 0.001 0.000 0.210 231 K C 1.014 177.657 176.600 0.073 0.000 1.045 231 K CA 1.190 57.530 56.287 0.088 0.000 0.937 231 K CB 0.037 32.595 32.500 0.098 0.000 0.721 231 K HN 0.007 nan 8.250 nan 0.000 0.438 232 V N -2.045 117.908 119.914 0.066 0.000 2.713 232 V HA 0.467 4.587 4.120 0.001 0.000 0.307 232 V C 1.254 177.375 176.094 0.046 0.000 1.052 232 V CA -0.349 61.983 62.300 0.054 0.000 0.967 232 V CB 1.110 32.964 31.823 0.051 0.000 1.019 232 V HN 0.406 nan 8.190 nan 0.000 0.459 233 G N 1.977 110.800 108.800 0.039 0.000 2.547 233 G HA2 0.173 4.133 3.960 0.001 0.000 0.221 233 G HA3 0.173 4.133 3.960 0.001 0.000 0.221 233 G C 0.573 175.491 174.900 0.029 0.000 1.140 233 G CA 1.567 46.687 45.100 0.032 0.000 0.760 233 G HN 1.853 nan 8.290 nan 0.000 0.583 234 A N -2.247 120.590 122.820 0.029 0.000 2.540 234 A HA 0.657 4.977 4.320 0.001 0.000 0.291 234 A C -0.510 177.090 177.584 0.027 0.000 1.083 234 A CA -0.676 51.376 52.037 0.025 0.000 0.650 234 A CB 0.503 19.514 19.000 0.020 0.000 1.292 234 A HN 0.022 nan 8.150 nan 0.000 0.435 235 M N 0.702 120.316 119.600 0.023 0.000 2.227 235 M HA 0.363 4.844 4.480 0.001 0.000 0.316 235 M C 0.618 176.929 176.300 0.019 0.000 1.144 235 M CA 0.037 55.351 55.300 0.023 0.000 1.121 235 M CB 0.248 32.861 32.600 0.022 0.000 1.440 235 M HN 0.739 nan 8.290 nan 0.000 0.473 236 R N 0.816 121.326 120.500 0.017 0.000 2.582 236 R HA 0.334 4.675 4.340 0.001 0.000 0.271 236 R C -2.073 174.234 176.300 0.011 0.000 1.078 236 R CA -1.368 54.740 56.100 0.013 0.000 1.127 236 R CB -0.330 29.977 30.300 0.011 0.000 1.038 236 R HN 0.377 nan 8.270 nan 0.000 0.500 237 P HA 0.011 nan 4.420 nan 0.000 0.271 237 P C -0.666 176.639 177.300 0.008 0.000 1.216 237 P CA -0.283 62.822 63.100 0.009 0.000 0.776 237 P CB 0.517 32.222 31.700 0.008 0.000 0.881 238 E N 1.412 121.617 120.200 0.007 0.000 2.481 238 E HA 0.244 4.594 4.350 0.001 0.000 0.263 238 E C -0.390 176.214 176.600 0.006 0.000 0.992 238 E CA 0.139 56.543 56.400 0.007 0.000 0.938 238 E CB 0.176 29.881 29.700 0.007 0.000 0.933 238 E HN 0.506 nan 8.360 nan 0.000 0.453 239 A N 4.985 127.808 122.820 0.005 0.000 2.295 239 A HA 0.555 4.876 4.320 0.001 0.000 0.318 239 A C -2.200 175.387 177.584 0.004 0.000 1.134 239 A CA -1.557 50.483 52.037 0.004 0.000 0.827 239 A CB 0.218 19.220 19.000 0.002 0.000 1.136 239 A HN 0.623 nan 8.150 nan 0.000 0.493 240 P HA 0.178 nan 4.420 nan 0.000 0.264 240 P C -2.271 175.032 177.300 0.004 0.000 1.183 240 P CA -0.274 62.829 63.100 0.004 0.000 0.763 240 P CB -0.195 31.508 31.700 0.004 0.000 0.807 241 P HA 0.251 nan 4.420 nan 0.000 0.274 241 P C -0.639 176.665 177.300 0.007 0.000 1.231 241 P CA 0.100 63.204 63.100 0.006 0.000 0.790 241 P CB 0.920 32.625 31.700 0.008 0.000 0.951 242 I N 2.443 123.018 120.570 0.007 0.000 2.420 242 I HA 0.219 4.390 4.170 0.001 0.000 0.282 242 I C -0.114 176.010 176.117 0.012 0.000 1.019 242 I CA -0.644 60.661 61.300 0.008 0.000 1.130 242 I CB 0.934 38.938 38.000 0.007 0.000 1.262 242 I HN 0.157 nan 8.210 nan 0.000 0.454 243 N N 6.103 124.810 118.700 0.013 0.000 2.438 243 N HA 0.390 5.131 4.740 0.001 0.000 0.282 243 N C -0.614 174.909 175.510 0.021 0.000 1.037 243 N CA -0.382 52.678 53.050 0.016 0.000 0.942 243 N CB 2.744 41.240 38.487 0.015 0.000 1.136 243 N HN 0.164 nan 8.380 nan 0.000 0.481 244 V N 1.381 121.310 119.914 0.026 0.000 2.398 244 V HA 0.528 4.649 4.120 0.001 0.000 0.286 244 V C 0.427 176.542 176.094 0.036 0.000 1.026 244 V CA -0.552 61.769 62.300 0.034 0.000 0.868 244 V CB 1.330 33.180 31.823 0.044 0.000 0.982 244 V HN 0.832 nan 8.190 nan 0.000 0.443 245 T N 2.562 117.138 114.554 0.036 0.000 2.912 245 T HA 0.573 4.924 4.350 0.001 0.000 0.299 245 T C -0.855 173.868 174.700 0.038 0.000 1.052 245 T CA -0.689 61.431 62.100 0.034 0.000 0.996 245 T CB 2.064 70.947 68.868 0.025 0.000 1.070 245 T HN 0.576 nan 8.240 nan 0.000 0.465 246 Q N 3.313 123.136 119.800 0.037 0.000 2.700 246 Q HA 0.282 4.623 4.340 0.001 0.000 0.249 246 Q C -1.628 174.384 176.000 0.021 0.000 1.033 246 Q CA -2.118 53.706 55.803 0.035 0.000 0.804 246 Q CB 1.687 30.452 28.738 0.046 0.000 1.164 246 Q HN 0.615 nan 8.270 nan 0.000 0.500 247 P HA -0.205 nan 4.420 nan 0.000 0.216 247 P C 0.053 177.356 177.300 0.005 0.000 1.150 247 P CA 1.349 64.456 63.100 0.011 0.000 0.843 247 P CB 0.452 32.159 31.700 0.012 0.000 0.787 248 E N -0.409 119.794 120.200 0.004 0.000 2.451 248 E HA 0.385 4.736 4.350 0.001 0.000 0.194 248 E C 0.857 177.448 176.600 -0.015 0.000 1.027 248 E CA 0.008 56.406 56.400 -0.003 0.000 0.914 248 E CB 0.077 29.777 29.700 0.000 0.000 1.054 248 E HN 0.257 nan 8.360 nan 0.000 0.461 249 G N 0.587 109.377 108.800 -0.018 0.000 2.660 249 G HA2 -0.218 3.743 3.960 0.001 0.000 0.247 249 G HA3 -0.218 3.743 3.960 0.001 0.000 0.247 249 G C -0.183 174.685 174.900 -0.054 0.000 1.328 249 G CA -0.559 44.513 45.100 -0.046 0.000 0.884 249 G HN 0.418 nan 8.290 nan 0.000 0.531 250 V N -2.557 117.273 119.914 -0.140 0.000 2.966 250 V HA 0.860 4.981 4.120 0.001 0.000 0.317 250 V C 1.489 177.494 176.094 -0.148 0.000 1.070 250 V CA 0.828 63.026 62.300 -0.169 0.000 1.008 250 V CB 1.489 33.010 31.823 -0.503 0.000 1.070 250 V HN 2.282 nan 8.190 nan 0.000 0.457 251 S N 1.281 117.003 115.700 0.037 0.000 2.528 251 S HA 0.188 4.659 4.470 0.001 0.000 0.219 251 S C 0.490 175.220 174.600 0.217 0.000 0.985 251 S CA -0.056 58.216 58.200 0.121 0.000 0.914 251 S CB -0.759 62.567 63.200 0.209 0.000 0.776 251 S HN 0.998 nan 8.310 nan 0.000 0.526 252 F N 1.257 121.356 119.950 0.249 0.000 2.378 252 F HA 0.751 5.279 4.527 0.001 0.000 0.325 252 F C -0.136 175.709 175.800 0.075 0.000 1.097 252 F CA -1.311 56.823 58.000 0.224 0.000 1.079 252 F CB 0.782 39.867 39.000 0.143 0.000 1.240 252 F HN -0.073 nan 8.300 nan 0.000 0.519 253 K N 3.782 124.328 120.400 0.244 0.000 2.545 253 K HA 0.441 4.762 4.320 0.001 0.000 0.252 253 K C -1.644 175.011 176.600 0.091 0.000 0.948 253 K CA -0.646 55.697 56.287 0.094 0.000 0.827 253 K CB 1.210 33.733 32.500 0.038 0.000 1.128 253 K HN 0.886 nan 8.250 nan 0.000 0.429 254 M N 2.993 122.638 119.600 0.076 0.000 2.268 254 M HA 0.240 4.721 4.480 0.001 0.000 0.344 254 M C -0.702 175.605 176.300 0.012 0.000 1.106 254 M CA -0.562 54.728 55.300 -0.015 0.000 1.010 254 M CB 2.067 34.596 32.600 -0.117 0.000 1.649 254 M HN 0.512 nan 8.290 nan 0.000 0.443 255 T N 2.861 117.408 114.554 -0.011 0.000 3.155 255 T HA 0.540 4.891 4.350 0.001 0.000 0.384 255 T C 0.556 175.272 174.700 0.027 0.000 1.351 255 T CA 0.270 62.385 62.100 0.026 0.000 1.198 255 T CB 0.753 69.643 68.868 0.036 0.000 1.106 255 T HN 1.088 nan 8.240 nan 0.000 0.564 256 G N 3.816 112.636 108.800 0.035 0.000 2.527 256 G HA2 -0.277 3.684 3.960 0.001 0.000 0.262 256 G HA3 -0.277 3.684 3.960 0.001 0.000 0.262 256 G C 0.644 175.515 174.900 -0.047 0.000 1.153 256 G CA -0.134 44.984 45.100 0.031 0.000 0.954 256 G HN 0.518 nan 8.290 nan 0.000 0.552 257 N N 0.463 119.080 118.700 -0.138 0.000 2.280 257 N HA 0.185 4.925 4.740 0.001 0.000 0.192 257 N C 0.573 175.821 175.510 -0.438 0.000 1.109 257 N CA 0.631 53.477 53.050 -0.341 0.000 0.855 257 N CB 0.926 39.058 38.487 -0.592 0.000 0.974 257 N HN 0.377 nan 8.380 nan 0.000 0.482 258 V N 2.594 122.358 119.914 -0.250 0.000 2.455 258 V HA 0.140 4.261 4.120 0.001 0.000 0.273 258 V C 0.358 176.283 176.094 -0.281 0.000 1.045 258 V CA -0.301 61.875 62.300 -0.205 0.000 0.976 258 V CB 0.952 32.781 31.823 0.009 0.000 0.993 258 V HN 0.126 nan 8.190 nan 0.000 0.475 259 M N 5.362 124.650 119.600 -0.521 0.000 2.423 259 M HA 0.560 5.041 4.480 0.001 0.000 0.335 259 M C -0.587 175.439 176.300 -0.456 0.000 1.177 259 M CA 0.279 55.215 55.300 -0.608 0.000 1.038 259 M CB 1.529 33.460 32.600 -1.115 0.000 1.641 259 M HN 0.645 nan 8.290 nan 0.000 0.455 260 E N 3.117 123.208 120.200 -0.182 0.000 2.274 260 E HA 0.468 4.819 4.350 0.001 0.000 0.269 260 E C -2.307 174.402 176.600 0.182 0.000 0.891 260 E CA -0.321 56.067 56.400 -0.020 0.000 0.784 260 E CB 1.868 31.564 29.700 -0.005 0.000 1.225 260 E HN 0.775 nan 8.360 nan 0.000 0.412 261 W N 2.228 123.529 121.300 0.002 0.000 3.953 261 W HA 0.175 4.836 4.660 0.001 0.000 0.286 261 W C -0.449 176.157 176.519 0.145 0.000 1.256 261 W CA -0.278 57.120 57.345 0.088 0.000 1.244 261 W CB 1.283 30.802 29.460 0.098 0.000 1.262 261 W HN 0.451 nan 8.180 nan 0.000 0.522 262 S N 4.847 120.117 115.700 -0.717 0.000 3.549 262 S HA -0.309 4.162 4.470 0.001 0.000 0.366 262 S C 0.778 175.071 174.600 -0.510 0.000 1.012 262 S CA 1.895 59.642 58.200 -0.756 0.000 1.141 262 S CB -1.272 61.132 63.200 -1.327 0.000 0.910 262 S HN 0.857 nan 8.310 nan 0.000 0.471 263 N N -2.917 115.510 118.700 -0.455 0.000 2.980 263 N HA -0.167 4.573 4.740 0.001 0.000 0.219 263 N C -0.232 174.950 175.510 -0.546 0.000 0.883 263 N CA 1.552 54.186 53.050 -0.693 0.000 1.018 263 N CB -1.309 36.331 38.487 -1.412 0.000 1.041 263 N HN 0.529 nan 8.380 nan 0.000 0.592 264 F N 1.600 121.479 119.950 -0.119 0.000 2.389 264 F HA 0.466 4.994 4.527 0.001 0.000 0.337 264 F C 0.930 176.790 175.800 0.101 0.000 1.112 264 F CA 0.188 58.279 58.000 0.153 0.000 1.192 264 F CB 1.017 40.249 39.000 0.387 0.000 1.185 264 F HN -0.189 nan 8.300 nan 0.000 0.552 265 K N 4.532 125.172 120.400 0.400 0.000 2.535 265 K HA 0.546 4.867 4.320 0.001 0.000 0.251 265 K C -1.890 174.889 176.600 0.299 0.000 0.942 265 K CA -0.451 55.932 56.287 0.161 0.000 0.798 265 K CB 1.702 34.262 32.500 0.099 0.000 1.267 265 K HN 0.554 nan 8.250 nan 0.000 0.434 266 F N -0.323 119.638 119.950 0.017 0.000 2.773 266 F HA 0.409 4.937 4.527 0.001 0.000 0.314 266 F C -1.492 174.305 175.800 -0.006 0.000 1.160 266 F CA -1.185 56.824 58.000 0.016 0.000 0.920 266 F CB 0.916 39.885 39.000 -0.051 0.000 1.323 266 F HN 0.419 nan 8.300 nan 0.000 0.457 267 H N 2.286 121.419 119.070 0.104 0.000 2.467 267 H HA 0.563 5.119 4.556 0.001 0.000 0.326 267 H C -1.181 174.145 175.328 -0.003 0.000 1.094 267 H CA -0.670 55.322 56.048 -0.093 0.000 1.253 267 H CB 1.590 31.185 29.762 -0.277 0.000 1.439 267 H HN 0.739 nan 8.280 nan 0.000 0.479 268 I N 5.394 125.756 120.570 -0.347 0.000 2.307 268 I HA 0.236 4.407 4.170 0.001 0.000 0.287 268 I C 1.000 177.029 176.117 -0.147 0.000 1.054 268 I CA -0.337 60.884 61.300 -0.132 0.000 1.218 268 I CB 1.041 38.964 38.000 -0.128 0.000 1.398 268 I HN 0.537 nan 8.210 nan 0.000 0.475 269 G N 5.131 113.995 108.800 0.107 0.000 0.000 269 G HA2 0.722 4.682 3.960 0.001 0.000 0.000 269 G HA3 0.722 4.682 3.960 0.001 0.000 0.000 269 G C -1.500 173.529 174.900 0.215 0.000 0.000 269 G CA -0.333 44.888 45.100 0.202 0.000 0.000 269 G HN 0.387 nan 8.290 nan 0.000 0.000 270 F N 0.300 120.281 119.950 0.051 0.000 2.672 270 F HA 0.458 4.986 4.527 0.001 0.000 0.311 270 F C -1.220 174.651 175.800 0.118 0.000 1.113 270 F CA -0.892 57.145 58.000 0.061 0.000 0.996 270 F CB 2.026 41.061 39.000 0.058 0.000 1.286 270 F HN 0.837 nan 8.300 nan 0.000 0.441 271 N N 1.877 120.477 118.700 -0.167 0.000 2.732 271 N HA 0.240 4.980 4.740 0.001 0.000 0.259 271 N C 0.096 175.559 175.510 -0.079 0.000 1.402 271 N CA -0.434 52.682 53.050 0.111 0.000 0.829 271 N CB 0.366 38.928 38.487 0.125 0.000 1.495 271 N HN 0.525 nan 8.380 nan 0.000 0.511 272 Y N -0.902 119.268 120.300 -0.216 0.000 2.193 272 Y HA 0.015 4.566 4.550 0.001 0.000 0.285 272 Y C 2.147 177.602 175.900 -0.741 0.000 1.166 272 Y CA 1.433 59.032 58.100 -0.835 0.000 1.181 272 Y CB -0.441 37.191 38.460 -1.379 0.000 0.976 272 Y HN 0.619 nan 8.280 nan 0.000 0.520 273 R N 0.344 119.952 120.500 -1.487 0.000 2.041 273 R HA 0.022 4.363 4.340 0.001 0.000 0.221 273 R C 2.127 177.997 176.300 -0.716 0.000 1.196 273 R CA 1.320 56.670 56.100 -1.251 0.000 0.969 273 R CB -0.084 29.283 30.300 -1.555 0.000 0.858 273 R HN 0.452 nan 8.270 nan 0.000 0.444 274 E N -0.389 119.485 120.200 -0.543 0.000 2.358 274 E HA 0.120 4.471 4.350 0.001 0.000 0.195 274 E C 0.867 177.243 176.600 -0.372 0.000 1.010 274 E CA 0.365 56.567 56.400 -0.330 0.000 0.856 274 E CB 0.379 29.976 29.700 -0.171 0.000 0.795 274 E HN 0.562 nan 8.360 nan 0.000 0.504 275 G N 1.818 110.232 108.800 -0.643 0.000 2.514 275 G HA2 -0.339 3.622 3.960 0.001 0.000 0.265 275 G HA3 -0.339 3.622 3.960 0.001 0.000 0.265 275 G C 0.060 174.430 174.900 -0.882 0.000 1.150 275 G CA -0.215 44.260 45.100 -1.042 0.000 0.959 275 G HN 0.187 nan 8.290 nan 0.000 0.556 276 I N 0.879 121.251 120.570 -0.331 0.000 2.752 276 I HA 0.313 4.484 4.170 0.001 0.000 0.289 276 I C 0.357 176.324 176.117 -0.251 0.000 1.197 276 I CA 0.248 61.499 61.300 -0.082 0.000 1.432 276 I CB 0.683 38.728 38.000 0.076 0.000 1.359 276 I HN 0.366 nan 8.210 nan 0.000 0.571 277 V N 7.820 127.598 119.914 -0.227 0.000 2.462 277 V HA 0.336 4.457 4.120 0.001 0.000 0.288 277 V C -0.121 175.824 176.094 -0.248 0.000 1.020 277 V CA -0.540 61.594 62.300 -0.276 0.000 0.857 277 V CB 1.393 33.116 31.823 -0.167 0.000 1.013 277 V HN 0.445 nan 8.190 nan 0.000 0.431 278 L N 3.768 124.751 121.223 -0.401 0.000 2.292 278 L HA 0.711 5.052 4.340 0.001 0.000 0.284 278 L C 0.356 177.118 176.870 -0.181 0.000 1.065 278 L CA 0.263 54.953 54.840 -0.250 0.000 0.806 278 L CB 1.529 43.339 42.059 -0.416 0.000 1.175 278 L HN 0.618 nan 8.230 nan 0.000 0.431 279 S N 0.250 115.919 115.700 -0.051 0.000 2.661 279 S HA 0.291 4.762 4.470 0.001 0.000 0.285 279 S C -0.636 173.960 174.600 -0.007 0.000 1.138 279 S CA -0.604 57.504 58.200 -0.154 0.000 0.855 279 S CB 1.705 64.712 63.200 -0.323 0.000 1.136 279 S HN 0.744 nan 8.310 nan 0.000 0.484 280 D N 1.014 121.367 120.400 -0.079 0.000 2.697 280 D HA -0.138 4.502 4.640 0.001 0.000 0.235 280 D C -0.649 175.791 176.300 0.232 0.000 1.167 280 D CA 0.411 54.498 54.000 0.145 0.000 0.656 280 D CB -1.124 39.845 40.800 0.283 0.000 1.025 280 D HN 0.238 nan 8.370 nan 0.000 0.419 281 V N 1.003 121.040 119.914 0.206 0.000 2.461 281 V HA 0.580 4.701 4.120 0.001 0.000 0.275 281 V C 0.854 177.078 176.094 0.218 0.000 1.047 281 V CA 0.358 62.812 62.300 0.256 0.000 0.955 281 V CB 1.502 33.438 31.823 0.189 0.000 0.988 281 V HN 0.493 nan 8.190 nan 0.000 0.471 282 S N 4.524 120.406 115.700 0.305 0.000 2.607 282 S HA 0.737 5.208 4.470 0.001 0.000 0.273 282 S C -1.462 173.339 174.600 0.333 0.000 1.148 282 S CA -0.781 57.573 58.200 0.257 0.000 0.833 282 S CB 1.965 65.285 63.200 0.200 0.000 1.130 282 S HN 0.588 nan 8.310 nan 0.000 0.470 283 Y N 1.831 122.205 120.300 0.123 0.000 2.391 283 Y HA 0.531 5.081 4.550 0.001 0.000 0.341 283 Y C -0.395 175.546 175.900 0.067 0.000 0.965 283 Y CA -0.740 57.381 58.100 0.034 0.000 1.067 283 Y CB 1.669 40.141 38.460 0.019 0.000 1.199 283 Y HN 0.862 nan 8.280 nan 0.000 0.450 284 N N 4.914 123.408 118.700 -0.343 0.000 2.555 284 N HA 0.001 4.742 4.740 0.001 0.000 0.244 284 N C -1.078 174.362 175.510 -0.118 0.000 1.114 284 N CA 0.069 53.010 53.050 -0.181 0.000 0.963 284 N CB 0.113 38.451 38.487 -0.248 0.000 1.276 284 N HN 0.680 nan 8.380 nan 0.000 0.510 285 D N 2.393 122.940 120.400 0.245 0.000 2.508 285 D HA 0.029 4.670 4.640 0.001 0.000 0.224 285 D C -0.270 176.147 176.300 0.195 0.000 1.171 285 D CA 0.040 54.257 54.000 0.361 0.000 1.006 285 D CB -0.801 40.275 40.800 0.459 0.000 1.073 285 D HN 0.542 nan 8.370 nan 0.000 0.513 286 H N 1.320 120.445 119.070 0.091 0.000 2.626 286 H HA -0.215 4.342 4.556 0.001 0.000 0.317 286 H C 1.448 176.788 175.328 0.020 0.000 1.140 286 H CA 1.071 57.139 56.048 0.033 0.000 1.134 286 H CB -0.968 28.816 29.762 0.037 0.000 1.486 286 H HN 0.656 nan 8.280 nan 0.000 0.417 287 G N -0.549 108.292 108.800 0.069 0.000 2.339 287 G HA2 -0.297 3.664 3.960 0.001 0.000 0.209 287 G HA3 -0.297 3.664 3.960 0.001 0.000 0.209 287 G C 0.181 175.107 174.900 0.043 0.000 1.015 287 G CA -0.055 45.073 45.100 0.047 0.000 0.635 287 G HN 0.685 nan 8.290 nan 0.000 0.499 288 N N 0.885 119.627 118.700 0.070 0.000 2.420 288 N HA 0.438 5.179 4.740 0.001 0.000 0.249 288 N C -0.148 175.411 175.510 0.083 0.000 1.033 288 N CA -0.294 52.794 53.050 0.062 0.000 0.944 288 N CB 0.945 39.468 38.487 0.060 0.000 1.113 288 N HN 0.057 nan 8.380 nan 0.000 0.502 289 V N 4.917 124.868 119.914 0.061 0.000 2.389 289 V HA 0.217 4.338 4.120 0.001 0.000 0.264 289 V C 0.299 176.457 176.094 0.106 0.000 1.049 289 V CA -0.197 62.151 62.300 0.080 0.000 0.932 289 V CB 0.143 31.995 31.823 0.048 0.000 1.011 289 V HN 0.611 nan 8.190 nan 0.000 0.475 290 R N 5.991 126.597 120.500 0.176 0.000 2.338 290 R HA 0.471 4.811 4.340 0.001 0.000 0.317 290 R C -2.724 173.710 176.300 0.223 0.000 0.968 290 R CA -1.853 54.357 56.100 0.184 0.000 0.849 290 R CB 1.460 31.873 30.300 0.188 0.000 1.128 290 R HN 0.397 nan 8.270 nan 0.000 0.448 291 P HA 0.098 nan 4.420 nan 0.000 0.270 291 P C -0.080 177.261 177.300 0.067 0.000 1.223 291 P CA 0.055 63.229 63.100 0.124 0.000 0.785 291 P CB 0.855 32.620 31.700 0.107 0.000 0.923 292 I N -1.327 119.178 120.570 -0.109 0.000 3.685 292 I HA 0.212 4.383 4.170 0.001 0.000 0.258 292 I C -0.146 175.647 176.117 -0.540 0.000 1.135 292 I CA 0.410 61.385 61.300 -0.541 0.000 1.436 292 I CB 0.281 37.699 38.000 -0.971 0.000 1.670 292 I HN 0.099 nan 8.210 nan 0.000 0.424 293 F N 0.177 120.076 119.950 -0.084 0.000 2.576 293 F HA 0.374 4.901 4.527 0.001 0.000 0.313 293 F C 0.967 176.769 175.800 0.003 0.000 1.078 293 F CA -1.048 56.908 58.000 -0.074 0.000 0.921 293 F CB 0.839 39.754 39.000 -0.142 0.000 1.232 293 F HN -0.027 nan 8.300 nan 0.000 0.459 294 H N 1.473 120.615 119.070 0.120 0.000 2.486 294 H HA 0.318 4.875 4.556 0.001 0.000 0.287 294 H C 0.023 175.330 175.328 -0.035 0.000 1.010 294 H CA 0.743 56.805 56.048 0.023 0.000 1.324 294 H CB 0.625 30.355 29.762 -0.052 0.000 1.446 294 H HN 0.586 nan 8.280 nan 0.000 0.537 295 R N 0.513 120.956 120.500 -0.094 0.000 2.604 295 R HA 0.383 4.723 4.340 0.001 0.000 0.261 295 R C -2.185 173.971 176.300 -0.241 0.000 1.080 295 R CA -0.497 55.470 56.100 -0.222 0.000 0.917 295 R CB 1.924 32.089 30.300 -0.224 0.000 1.252 295 R HN 0.231 nan 8.270 nan 0.000 0.456 296 I N 2.559 122.940 120.570 -0.315 0.000 2.692 296 I HA 0.605 4.776 4.170 0.001 0.000 0.293 296 I C -1.459 174.389 176.117 -0.449 0.000 1.200 296 I CA -0.098 60.970 61.300 -0.387 0.000 1.036 296 I CB 2.168 39.891 38.000 -0.463 0.000 1.258 296 I HN 0.960 nan 8.210 nan 0.000 0.421 297 S N 6.063 121.608 115.700 -0.260 0.000 2.660 297 S HA 0.506 4.977 4.470 0.001 0.000 0.264 297 S C -1.839 172.849 174.600 0.146 0.000 1.131 297 S CA -1.056 57.065 58.200 -0.131 0.000 0.846 297 S CB 0.949 64.041 63.200 -0.180 0.000 1.151 297 S HN 0.584 nan 8.310 nan 0.000 0.486 298 L N 2.560 123.909 121.223 0.210 0.000 2.272 298 L HA 0.521 4.862 4.340 0.001 0.000 0.289 298 L C 1.137 178.044 176.870 0.061 0.000 1.032 298 L CA -0.257 54.688 54.840 0.176 0.000 0.810 298 L CB 1.848 44.044 42.059 0.228 0.000 1.205 298 L HN 1.005 nan 8.230 nan 0.000 0.422 299 S N 0.712 116.433 115.700 0.035 0.000 2.517 299 S HA 0.209 4.680 4.470 0.001 0.000 0.214 299 S C 0.312 174.918 174.600 0.011 0.000 0.991 299 S CA -0.131 58.128 58.200 0.098 0.000 0.906 299 S CB 0.420 63.732 63.200 0.187 0.000 0.789 299 S HN 0.673 nan 8.310 nan 0.000 0.513 300 E N -0.791 119.304 120.200 -0.175 0.000 2.421 300 E HA 0.653 5.004 4.350 0.001 0.000 0.278 300 E C -1.687 174.720 176.600 -0.323 0.000 1.141 300 E CA -0.494 55.745 56.400 -0.269 0.000 0.880 300 E CB 0.769 30.249 29.700 -0.368 0.000 1.381 300 E HN 0.292 nan 8.360 nan 0.000 0.436 301 M N 0.853 120.371 119.600 -0.137 0.000 2.924 301 M HA 0.662 5.143 4.480 0.001 0.000 0.271 301 M C -1.455 174.983 176.300 0.229 0.000 1.280 301 M CA -0.934 54.323 55.300 -0.072 0.000 0.813 301 M CB 2.483 34.930 32.600 -0.254 0.000 1.658 301 M HN 0.549 nan 8.290 nan 0.000 0.467 302 I N 0.512 121.161 120.570 0.131 0.000 2.735 302 I HA 0.364 4.535 4.170 0.001 0.000 0.287 302 I C -1.816 174.301 176.117 0.001 0.000 1.452 302 I CA -0.455 60.912 61.300 0.112 0.000 1.061 302 I CB 1.773 39.831 38.000 0.097 0.000 1.383 302 I HN 0.394 nan 8.210 nan 0.000 0.425 303 V N 9.035 128.978 119.914 0.048 0.000 2.260 303 V HA 0.362 4.483 4.120 0.001 0.000 0.263 303 V C -2.229 173.919 176.094 0.090 0.000 1.036 303 V CA -1.257 61.041 62.300 -0.004 0.000 0.874 303 V CB 0.637 32.491 31.823 0.051 0.000 1.116 303 V HN 0.508 nan 8.190 nan 0.000 0.454 304 P HA 0.185 nan 4.420 nan 0.000 0.276 304 P C -0.910 176.388 177.300 -0.003 0.000 1.243 304 P CA 0.024 63.178 63.100 0.090 0.000 0.768 304 P CB 0.676 32.364 31.700 -0.021 0.000 0.856 305 Y N 1.304 121.655 120.300 0.085 0.000 2.307 305 Y HA 0.429 4.980 4.550 0.001 0.000 0.324 305 Y C 1.940 177.830 175.900 -0.016 0.000 1.238 305 Y CA 0.398 58.544 58.100 0.076 0.000 1.280 305 Y CB 0.860 39.378 38.460 0.098 0.000 1.248 305 Y HN 0.466 nan 8.280 nan 0.000 0.508 306 G N 0.430 109.269 108.800 0.065 0.000 3.707 306 G HA2 0.081 4.042 3.960 0.001 0.000 0.286 306 G HA3 0.081 4.042 3.960 0.001 0.000 0.286 306 G C -0.211 174.589 174.900 -0.167 0.000 1.112 306 G CA -0.171 44.911 45.100 -0.029 0.000 0.861 306 G HN 0.426 nan 8.290 nan 0.000 0.534 307 S N 1.141 116.682 115.700 -0.265 0.000 2.457 307 S HA 0.494 4.965 4.470 0.001 0.000 0.289 307 S C -0.975 173.343 174.600 -0.470 0.000 1.163 307 S CA -1.459 56.437 58.200 -0.507 0.000 1.078 307 S CB 1.893 64.654 63.200 -0.731 0.000 0.987 307 S HN 0.091 nan 8.310 nan 0.000 0.482 308 P HA 0.066 nan 4.420 nan 0.000 0.241 308 P C -0.354 176.828 177.300 -0.197 0.000 1.191 308 P CA 0.217 63.064 63.100 -0.422 0.000 0.771 308 P CB 0.069 31.452 31.700 -0.529 0.000 0.929 309 E N 0.154 120.279 120.200 -0.124 0.000 2.373 309 E HA 0.119 4.469 4.350 0.001 0.000 0.267 309 E C -0.386 176.188 176.600 -0.043 0.000 1.032 309 E CA -0.727 55.684 56.400 0.018 0.000 0.889 309 E CB 0.402 30.179 29.700 0.128 0.000 0.984 309 E HN 0.041 nan 8.360 nan 0.000 0.425 310 F N 4.564 124.410 119.950 -0.173 0.000 2.529 310 F HA 0.080 4.607 4.527 0.001 0.000 0.365 310 F C -1.413 174.110 175.800 -0.461 0.000 1.102 310 F CA -1.721 56.131 58.000 -0.247 0.000 1.271 310 F CB 0.838 39.754 39.000 -0.140 0.000 1.120 310 F HN 0.313 nan 8.300 nan 0.000 0.579 311 P HA 0.130 nan 4.420 nan 0.000 0.254 311 P C -0.074 176.737 177.300 -0.815 0.000 1.620 311 P CA 0.313 62.613 63.100 -1.334 0.000 1.050 311 P CB -0.394 30.629 31.700 -1.129 0.000 1.539 312 H N 0.145 118.980 119.070 -0.391 0.000 2.567 312 H HA -0.082 4.475 4.556 0.001 0.000 0.276 312 H C 1.490 176.709 175.328 -0.182 0.000 1.016 312 H CA 0.710 56.583 56.048 -0.292 0.000 1.186 312 H CB -0.275 29.333 29.762 -0.257 0.000 1.351 312 H HN 0.266 nan 8.280 nan 0.000 0.605 313 Q N 0.508 120.235 119.800 -0.121 0.000 2.297 313 Q HA -0.001 4.339 4.340 0.001 0.000 0.204 313 Q C 1.444 177.530 176.000 0.143 0.000 0.962 313 Q CA 0.720 56.516 55.803 -0.012 0.000 0.879 313 Q CB 0.080 28.790 28.738 -0.045 0.000 0.947 313 Q HN 0.364 nan 8.270 nan 0.000 0.462 314 R N 0.874 121.374 120.500 0.000 0.000 2.319 314 R HA 0.110 4.450 4.340 0.001 0.000 0.204 314 R C -0.068 176.229 176.300 -0.005 0.000 0.954 314 R CA 0.214 56.336 56.100 0.036 0.000 1.066 314 R CB 0.164 30.395 30.300 -0.115 0.000 0.991 314 R HN 0.108 nan 8.270 nan 0.000 0.486 315 K N 1.908 122.353 120.400 0.076 0.000 2.296 315 K HA 0.084 4.405 4.320 0.001 0.000 0.257 315 K C -0.439 176.403 176.600 0.403 0.000 1.088 315 K CA -0.102 56.242 56.287 0.096 0.000 0.980 315 K CB 0.479 32.838 32.500 -0.234 0.000 1.430 315 K HN 0.307 nan 8.250 nan 0.000 0.441 316 H N 0.224 119.495 119.070 0.336 0.000 3.225 316 H HA 0.170 4.727 4.556 0.001 0.000 0.205 316 H C -0.735 174.723 175.328 0.216 0.000 1.314 316 H CA -0.700 55.502 56.048 0.256 0.000 1.336 316 H CB -0.674 29.160 29.762 0.121 0.000 2.276 316 H HN 0.349 nan 8.280 nan 0.000 0.535 317 A N 1.888 124.827 122.820 0.198 0.000 2.567 317 A HA 0.279 4.599 4.320 0.001 0.000 0.240 317 A C 0.241 177.867 177.584 0.070 0.000 1.053 317 A CA -0.098 51.994 52.037 0.092 0.000 0.755 317 A CB 0.079 19.113 19.000 0.057 0.000 0.978 317 A HN 0.490 nan 8.150 nan 0.000 0.507 318 L N 3.579 124.809 121.223 0.011 0.000 2.494 318 L HA 0.201 4.542 4.340 0.001 0.000 0.251 318 L C 0.781 177.603 176.870 -0.079 0.000 1.119 318 L CA -0.074 54.780 54.840 0.023 0.000 1.026 318 L CB 0.557 42.661 42.059 0.076 0.000 1.370 318 L HN 0.787 nan 8.230 nan 0.000 0.426 319 D N 1.153 121.531 120.400 -0.036 0.000 2.133 319 D HA -0.260 4.380 4.640 0.001 0.000 0.192 319 D C 2.027 178.239 176.300 -0.146 0.000 1.001 319 D CA 1.723 55.728 54.000 0.009 0.000 0.844 319 D CB 0.318 41.135 40.800 0.028 0.000 0.944 319 D HN 0.490 nan 8.370 nan 0.000 0.447 320 I N 0.916 121.361 120.570 -0.208 0.000 2.163 320 I HA -0.184 3.987 4.170 0.001 0.000 0.243 320 I C 2.538 178.444 176.117 -0.352 0.000 1.085 320 I CA 1.560 62.675 61.300 -0.308 0.000 1.347 320 I CB -0.367 37.474 38.000 -0.264 0.000 1.044 320 I HN 0.025 nan 8.210 nan 0.000 0.408 321 G N -0.573 108.055 108.800 -0.287 0.000 2.838 321 G HA2 -0.031 3.930 3.960 0.001 0.000 0.210 321 G HA3 -0.031 3.930 3.960 0.001 0.000 0.210 321 G C 1.365 176.119 174.900 -0.245 0.000 1.153 321 G CA -0.018 44.899 45.100 -0.305 0.000 0.778 321 G HN 0.377 nan 8.290 nan 0.000 0.539 322 E N -1.203 118.807 120.200 -0.318 0.000 2.431 322 E HA 0.136 4.487 4.350 0.001 0.000 0.200 322 E C 0.768 176.979 176.600 -0.648 0.000 0.995 322 E CA 0.283 56.390 56.400 -0.488 0.000 0.915 322 E CB 0.384 29.679 29.700 -0.676 0.000 0.930 322 E HN 0.554 nan 8.360 nan 0.000 0.496 323 Y N -0.479 119.774 120.300 -0.078 0.000 2.640 323 Y HA 0.339 4.890 4.550 0.001 0.000 0.274 323 Y C 0.774 176.649 175.900 -0.041 0.000 1.164 323 Y CA 0.266 58.340 58.100 -0.044 0.000 1.189 323 Y CB 1.088 39.491 38.460 -0.094 0.000 1.333 323 Y HN -0.042 nan 8.280 nan 0.000 0.494 324 G N 0.713 109.450 108.800 -0.106 0.000 3.338 324 G HA2 0.163 4.124 3.960 0.001 0.000 0.686 324 G HA3 0.163 4.124 3.960 0.001 0.000 0.686 324 G C 0.513 175.143 174.900 -0.450 0.000 1.053 324 G CA -0.317 44.582 45.100 -0.335 0.000 0.852 324 G HN 0.631 nan 8.290 nan 0.000 0.545 325 A N 1.136 123.576 122.820 -0.633 0.000 2.168 325 A HA 0.432 4.753 4.320 0.001 0.000 0.215 325 A C 2.425 179.774 177.584 -0.391 0.000 1.152 325 A CA 2.248 53.780 52.037 -0.841 0.000 0.716 325 A CB -0.196 18.404 19.000 -0.666 0.000 0.794 325 A HN 2.101 nan 8.150 nan 0.000 0.465 326 G N -1.684 106.919 108.800 -0.329 0.000 2.497 326 G HA2 0.008 3.968 3.960 0.001 0.000 0.210 326 G HA3 0.008 3.968 3.960 0.001 0.000 0.210 326 G C 1.320 176.333 174.900 0.188 0.000 1.177 326 G CA 0.557 45.676 45.100 0.031 0.000 0.822 326 G HN 0.383 nan 8.290 nan 0.000 0.550 327 Y N 0.797 120.943 120.300 -0.258 0.000 2.315 327 Y HA 0.047 4.598 4.550 0.001 0.000 0.288 327 Y C 2.732 178.648 175.900 0.026 0.000 1.154 327 Y CA 0.618 58.582 58.100 -0.226 0.000 1.229 327 Y CB -0.254 38.086 38.460 -0.199 0.000 0.980 327 Y HN 0.149 nan 8.280 nan 0.000 0.540 328 M N -1.452 118.246 119.600 0.163 0.000 2.428 328 M HA 0.032 4.513 4.480 0.001 0.000 0.239 328 M C 0.819 177.292 176.300 0.288 0.000 1.121 328 M CA 0.130 55.535 55.300 0.175 0.000 1.019 328 M CB 0.112 32.770 32.600 0.097 0.000 1.485 328 M HN -0.153 nan 8.290 nan 0.000 0.484 329 T N 2.158 116.914 114.554 0.337 0.000 2.926 329 T HA 0.084 4.435 4.350 0.001 0.000 0.307 329 T C 0.110 174.980 174.700 0.285 0.000 1.059 329 T CA -0.029 62.305 62.100 0.390 0.000 1.122 329 T CB 0.304 69.467 68.868 0.492 0.000 0.972 329 T HN 0.217 nan 8.240 nan 0.000 0.545 330 N N 4.959 123.800 118.700 0.234 0.000 2.479 330 N HA 0.350 5.091 4.740 0.001 0.000 0.285 330 N C -2.688 172.888 175.510 0.109 0.000 1.075 330 N CA -1.864 51.278 53.050 0.153 0.000 0.967 330 N CB 1.124 39.684 38.487 0.122 0.000 1.137 330 N HN 0.360 nan 8.380 nan 0.000 0.472 331 P HA 0.095 nan 4.420 nan 0.000 0.271 331 P C 0.532 177.838 177.300 0.011 0.000 1.233 331 P CA -0.332 62.774 63.100 0.011 0.000 0.764 331 P CB 0.648 32.340 31.700 -0.013 0.000 0.825 332 L N 2.451 123.685 121.223 0.018 0.000 2.313 332 L HA -0.039 4.302 4.340 0.001 0.000 0.214 332 L C 2.258 179.139 176.870 0.018 0.000 1.119 332 L CA 1.323 56.208 54.840 0.074 0.000 0.809 332 L CB -1.783 40.414 42.059 0.230 0.000 0.933 332 L HN 0.336 nan 8.230 nan 0.000 0.449 333 S N -0.149 115.436 115.700 -0.192 0.000 2.398 333 S HA -0.214 4.257 4.470 0.001 0.000 0.220 333 S C 2.062 176.623 174.600 -0.066 0.000 1.038 333 S CA 1.425 59.486 58.200 -0.232 0.000 1.080 333 S CB -0.374 62.605 63.200 -0.369 0.000 1.039 333 S HN 0.331 nan 8.310 nan 0.000 0.419 334 L N 0.709 121.895 121.223 -0.061 0.000 2.030 334 L HA -0.224 4.117 4.340 0.001 0.000 0.222 334 L C 2.541 179.415 176.870 0.007 0.000 1.082 334 L CA 2.067 56.895 54.840 -0.021 0.000 0.785 334 L CB -1.346 40.705 42.059 -0.013 0.000 0.895 334 L HN 0.616 nan 8.230 nan 0.000 0.439 335 G N -2.334 106.477 108.800 0.019 0.000 2.498 335 G HA2 -0.225 3.735 3.960 0.001 0.000 0.219 335 G HA3 -0.225 3.735 3.960 0.001 0.000 0.219 335 G C 0.978 175.896 174.900 0.029 0.000 1.119 335 G CA 0.649 45.766 45.100 0.028 0.000 0.766 335 G HN 0.690 nan 8.290 nan 0.000 0.552 336 C N -0.331 118.990 119.300 0.035 0.000 4.584 336 C HA -0.153 4.308 4.460 0.001 0.000 0.288 336 C C 1.478 176.492 174.990 0.040 0.000 1.284 336 C CA -0.012 59.027 59.018 0.036 0.000 2.038 336 C CB -2.409 25.346 27.740 0.024 0.000 1.246 336 C HN 0.630 nan 8.230 nan 0.000 0.765 337 D N 0.226 120.660 120.400 0.057 0.000 2.097 337 D HA -0.028 4.613 4.640 0.001 0.000 0.195 337 D C 0.872 177.211 176.300 0.064 0.000 0.989 337 D CA 1.652 55.694 54.000 0.069 0.000 0.827 337 D CB 0.023 40.876 40.800 0.088 0.000 0.966 337 D HN 0.702 nan 8.370 nan 0.000 0.456 338 C N 1.609 120.933 119.300 0.040 0.000 2.251 338 C HA 0.452 4.913 4.460 0.001 0.000 0.323 338 C C 0.196 175.105 174.990 -0.135 0.000 1.241 338 C CA -1.657 57.302 59.018 -0.098 0.000 1.601 338 C CB -0.216 27.402 27.740 -0.203 0.000 2.251 338 C HN 0.099 nan 8.230 nan 0.000 0.488 339 K N 2.608 122.933 120.400 -0.125 0.000 2.234 339 K HA 0.591 4.912 4.320 0.001 0.000 0.282 339 K C 0.707 177.263 176.600 -0.075 0.000 1.039 339 K CA 0.966 57.217 56.287 -0.060 0.000 0.928 339 K CB 0.465 32.964 32.500 -0.002 0.000 1.039 339 K HN 1.156 nan 8.250 nan 0.000 0.470 340 G N 1.041 109.826 108.800 -0.024 0.000 2.396 340 G HA2 -0.194 3.767 3.960 0.001 0.000 0.254 340 G HA3 -0.194 3.767 3.960 0.001 0.000 0.254 340 G C -1.138 173.773 174.900 0.019 0.000 1.248 340 G CA -0.584 44.528 45.100 0.020 0.000 1.033 340 G HN 0.460 nan 8.290 nan 0.000 0.502 341 V N 2.208 122.163 119.914 0.067 0.000 2.364 341 V HA 0.318 4.439 4.120 0.001 0.000 0.252 341 V C 0.770 176.925 176.094 0.102 0.000 1.075 341 V CA -0.143 62.203 62.300 0.078 0.000 1.033 341 V CB -0.198 31.676 31.823 0.085 0.000 1.116 341 V HN 0.539 nan 8.190 nan 0.000 0.488 342 I N 3.934 124.514 120.570 0.016 0.000 2.566 342 I HA 0.470 4.641 4.170 0.001 0.000 0.303 342 I C 0.036 176.122 176.117 -0.051 0.000 0.983 342 I CA -0.404 60.826 61.300 -0.117 0.000 1.235 342 I CB 1.409 39.132 38.000 -0.463 0.000 1.386 342 I HN 0.519 nan 8.210 nan 0.000 0.494 343 H N 5.076 124.026 119.070 -0.198 0.000 2.727 343 H HA 0.429 4.986 4.556 0.001 0.000 0.330 343 H C -1.602 173.587 175.328 -0.232 0.000 0.986 343 H CA -0.356 55.661 56.048 -0.052 0.000 1.251 343 H CB 0.926 30.799 29.762 0.184 0.000 1.493 343 H HN 0.376 nan 8.280 nan 0.000 0.515 344 Y N 3.430 123.819 120.300 0.149 0.000 2.519 344 Y HA 0.501 5.052 4.550 0.001 0.000 0.324 344 Y C 0.149 176.113 175.900 0.107 0.000 1.214 344 Y CA -0.765 57.398 58.100 0.105 0.000 1.260 344 Y CB 1.622 40.083 38.460 0.001 0.000 1.311 344 Y HN 0.386 nan 8.280 nan 0.000 0.505 345 L N 1.035 122.379 121.223 0.201 0.000 2.409 345 L HA 0.434 4.775 4.340 0.001 0.000 0.262 345 L C -1.412 175.396 176.870 -0.103 0.000 0.992 345 L CA -1.018 53.844 54.840 0.037 0.000 0.817 345 L CB 2.312 44.357 42.059 -0.022 0.000 1.350 345 L HN 0.571 nan 8.230 nan 0.000 0.411 346 D N 0.943 121.226 120.400 -0.195 0.000 2.326 346 D HA 0.705 5.346 4.640 0.001 0.000 0.248 346 D C -0.516 175.389 176.300 -0.658 0.000 1.001 346 D CA -0.179 53.601 54.000 -0.367 0.000 0.961 346 D CB 2.249 42.871 40.800 -0.297 0.000 1.183 346 D HN 0.566 nan 8.370 nan 0.000 0.502 347 A N 1.100 123.442 122.820 -0.796 0.000 2.350 347 A HA 0.605 4.926 4.320 0.001 0.000 0.324 347 A C -1.082 175.845 177.584 -1.096 0.000 1.118 347 A CA -0.674 50.816 52.037 -0.911 0.000 0.783 347 A CB 0.954 19.464 19.000 -0.818 0.000 1.236 347 A HN 0.551 nan 8.150 nan 0.000 0.457 348 H N 1.738 120.488 119.070 -0.534 0.000 2.609 348 H HA 0.640 5.197 4.556 0.001 0.000 0.344 348 H C -1.310 173.851 175.328 -0.278 0.000 1.040 348 H CA -0.240 55.566 56.048 -0.402 0.000 1.216 348 H CB 1.149 30.831 29.762 -0.134 0.000 1.529 348 H HN 0.537 nan 8.280 nan 0.000 0.519 349 F N 0.009 120.113 119.950 0.256 0.000 2.835 349 F HA 0.514 5.042 4.527 0.001 0.000 0.373 349 F C 0.771 176.667 175.800 0.160 0.000 1.209 349 F CA -1.171 56.976 58.000 0.246 0.000 1.082 349 F CB 0.720 39.960 39.000 0.400 0.000 1.472 349 F HN 0.347 nan 8.300 nan 0.000 0.519 350 S N -0.500 115.419 115.700 0.365 0.000 2.566 350 S HA 0.624 5.094 4.470 0.001 0.000 0.298 350 S C -1.398 173.294 174.600 0.154 0.000 1.083 350 S CA -0.692 57.601 58.200 0.156 0.000 0.978 350 S CB 1.056 64.275 63.200 0.031 0.000 1.073 350 S HN 0.604 nan 8.310 nan 0.000 0.491 351 D N 1.602 122.055 120.400 0.088 0.000 0.000 351 D HA 0.363 5.004 4.640 0.001 0.000 0.000 351 D C 1.128 177.488 176.300 0.100 0.000 0.000 351 D CA -0.786 53.260 54.000 0.078 0.000 0.000 351 D CB 0.285 41.123 40.800 0.062 0.000 0.000 351 D HN 0.511 nan 8.370 nan 0.000 0.000 352 R N -0.757 119.796 120.500 0.089 0.000 2.139 352 R HA -0.155 4.186 4.340 0.001 0.000 0.243 352 R C 1.678 178.101 176.300 0.204 0.000 1.145 352 R CA 1.617 57.793 56.100 0.126 0.000 0.976 352 R CB -0.498 29.840 30.300 0.064 0.000 0.866 352 R HN 0.597 nan 8.270 nan 0.000 0.449 353 A N -0.961 121.947 122.820 0.147 0.000 2.238 353 A HA 0.187 4.508 4.320 0.001 0.000 0.208 353 A C 1.287 178.957 177.584 0.144 0.000 1.177 353 A CA 0.884 53.015 52.037 0.157 0.000 0.804 353 A CB 0.121 19.171 19.000 0.082 0.000 0.823 353 A HN 0.520 nan 8.150 nan 0.000 0.482 354 G N -0.736 108.078 108.800 0.024 0.000 2.157 354 G HA2 -0.171 3.790 3.960 0.001 0.000 0.239 354 G HA3 -0.171 3.790 3.960 0.001 0.000 0.239 354 G C -0.437 174.327 174.900 -0.228 0.000 0.982 354 G CA 0.117 44.985 45.100 -0.388 0.000 0.650 354 G HN 0.460 nan 8.290 nan 0.000 0.527 355 D N 1.500 121.851 120.400 -0.081 0.000 2.210 355 D HA 0.462 5.103 4.640 0.001 0.000 0.249 355 D C -2.302 173.988 176.300 -0.018 0.000 1.078 355 D CA -1.258 52.715 54.000 -0.046 0.000 0.875 355 D CB 1.490 42.285 40.800 -0.009 0.000 1.175 355 D HN 0.047 nan 8.370 nan 0.000 0.440 356 P HA 0.092 nan 4.420 nan 0.000 0.266 356 P C -0.405 176.924 177.300 0.049 0.000 1.195 356 P CA 0.168 63.277 63.100 0.014 0.000 0.768 356 P CB 0.459 32.142 31.700 -0.028 0.000 0.838 357 I N -1.304 119.326 120.570 0.100 0.000 2.689 357 I HA 0.658 4.829 4.170 0.001 0.000 0.299 357 I C -0.661 175.500 176.117 0.073 0.000 1.059 357 I CA -0.715 60.646 61.300 0.102 0.000 1.055 357 I CB 2.568 40.663 38.000 0.159 0.000 1.243 357 I HN 0.065 nan 8.210 nan 0.000 0.425 358 T N 3.592 118.173 114.554 0.046 0.000 2.876 358 T HA 0.495 4.846 4.350 0.001 0.000 0.289 358 T C -0.864 173.788 174.700 -0.080 0.000 1.014 358 T CA -0.607 61.484 62.100 -0.015 0.000 0.986 358 T CB 2.367 71.291 68.868 0.094 0.000 1.021 358 T HN 0.618 nan 8.240 nan 0.000 0.458 359 V N 3.980 123.771 119.914 -0.203 0.000 2.409 359 V HA 0.521 4.642 4.120 0.001 0.000 0.290 359 V C -0.476 175.511 176.094 -0.178 0.000 1.017 359 V CA -0.848 61.384 62.300 -0.113 0.000 0.841 359 V CB 0.846 32.661 31.823 -0.013 0.000 1.003 359 V HN 0.743 nan 8.190 nan 0.000 0.426 360 K N 4.561 124.888 120.400 -0.121 0.000 2.295 360 K HA 0.304 4.625 4.320 0.001 0.000 0.270 360 K C 0.415 176.929 176.600 -0.144 0.000 1.011 360 K CA 0.266 56.470 56.287 -0.137 0.000 0.953 360 K CB 0.211 32.644 32.500 -0.111 0.000 0.956 360 K HN 0.927 nan 8.250 nan 0.000 0.477 361 N N 0.440 119.052 118.700 -0.146 0.000 2.714 361 N HA -0.259 4.482 4.740 0.001 0.000 0.253 361 N C 0.351 175.853 175.510 -0.013 0.000 1.024 361 N CA 0.265 53.262 53.050 -0.088 0.000 0.726 361 N CB -0.748 37.504 38.487 -0.392 0.000 0.908 361 N HN 0.762 nan 8.380 nan 0.000 0.542 362 A N -0.595 122.160 122.820 -0.109 0.000 1.970 362 A HA 0.193 4.514 4.320 0.001 0.000 0.216 362 A C 0.895 178.450 177.584 -0.047 0.000 1.170 362 A CA 1.016 52.965 52.037 -0.146 0.000 0.645 362 A CB 0.670 19.384 19.000 -0.476 0.000 0.816 362 A HN 0.193 nan 8.150 nan 0.000 0.447 363 V N -0.593 119.298 119.914 -0.037 0.000 2.680 363 V HA 0.447 4.568 4.120 0.001 0.000 0.309 363 V C -0.376 175.796 176.094 0.129 0.000 1.052 363 V CA -0.723 61.618 62.300 0.069 0.000 0.908 363 V CB 1.230 33.071 31.823 0.030 0.000 1.001 363 V HN 0.524 nan 8.190 nan 0.000 0.431 364 C N 5.990 125.342 119.300 0.087 0.000 2.396 364 C HA 0.838 5.299 4.460 0.001 0.000 0.321 364 C C -0.729 174.240 174.990 -0.036 0.000 1.233 364 C CA -0.552 58.416 59.018 -0.084 0.000 1.440 364 C CB -0.411 27.296 27.740 -0.054 0.000 2.110 364 C HN 0.791 nan 8.230 nan 0.000 0.473 365 I N 7.198 127.699 120.570 -0.115 0.000 2.474 365 I HA 0.674 4.844 4.170 0.001 0.000 0.294 365 I C -0.167 175.928 176.117 -0.037 0.000 1.005 365 I CA -0.052 61.172 61.300 -0.127 0.000 1.113 365 I CB 1.757 39.556 38.000 -0.335 0.000 1.289 365 I HN 0.968 nan 8.210 nan 0.000 0.436 366 H N 3.899 122.773 119.070 -0.326 0.000 2.935 366 H HA 0.393 4.950 4.556 0.001 0.000 0.297 366 H C -2.060 173.169 175.328 -0.165 0.000 1.423 366 H CA -1.184 54.782 56.048 -0.137 0.000 1.161 366 H CB 1.030 30.784 29.762 -0.013 0.000 1.841 366 H HN 0.638 nan 8.280 nan 0.000 0.506 367 E N 1.085 121.259 120.200 -0.044 0.000 2.212 367 E HA 0.594 4.945 4.350 0.001 0.000 0.268 367 E C -0.996 175.583 176.600 -0.034 0.000 0.902 367 E CA -0.924 55.393 56.400 -0.138 0.000 0.779 367 E CB 2.818 32.571 29.700 0.087 0.000 1.172 367 E HN 0.692 nan 8.360 nan 0.000 0.409 368 E N 1.615 121.768 120.200 -0.078 0.000 2.410 368 E HA 0.314 4.665 4.350 0.001 0.000 0.269 368 E C -1.048 175.571 176.600 0.030 0.000 0.937 368 E CA -1.102 55.299 56.400 0.001 0.000 0.793 368 E CB 1.236 30.918 29.700 -0.031 0.000 1.314 368 E HN 0.391 nan 8.360 nan 0.000 0.447 369 D N 0.700 121.122 120.400 0.036 0.000 2.389 369 D HA 0.068 4.708 4.640 0.001 0.000 0.247 369 D C -0.695 175.615 176.300 0.016 0.000 1.128 369 D CA 0.410 54.431 54.000 0.035 0.000 0.884 369 D CB 1.016 41.832 40.800 0.027 0.000 1.194 369 D HN 0.373 nan 8.370 nan 0.000 0.441 370 D N 1.442 121.855 120.400 0.022 0.000 2.804 370 D HA 0.295 4.936 4.640 0.001 0.000 0.308 370 D C 0.757 177.058 176.300 0.001 0.000 1.371 370 D CA -0.032 53.973 54.000 0.008 0.000 0.823 370 D CB -0.055 40.761 40.800 0.026 0.000 1.126 370 D HN 0.659 nan 8.370 nan 0.000 0.467 371 G N 0.356 109.154 108.800 -0.005 0.000 2.539 371 G HA2 -0.269 3.692 3.960 0.001 0.000 0.256 371 G HA3 -0.269 3.692 3.960 0.001 0.000 0.256 371 G C -0.263 174.622 174.900 -0.025 0.000 1.233 371 G CA -0.180 44.912 45.100 -0.013 0.000 0.936 371 G HN 0.295 nan 8.290 nan 0.000 0.571 372 L N 0.460 121.666 121.223 -0.028 0.000 2.371 372 L HA 0.421 4.761 4.340 0.001 0.000 0.272 372 L C 1.680 178.507 176.870 -0.072 0.000 1.124 372 L CA -0.637 54.171 54.840 -0.052 0.000 0.816 372 L CB 1.196 43.242 42.059 -0.022 0.000 1.129 372 L HN 0.577 nan 8.230 nan 0.000 0.448 373 L N 3.765 124.871 121.223 -0.196 0.000 2.253 373 L HA 0.287 4.628 4.340 0.001 0.000 0.205 373 L C -0.200 176.603 176.870 -0.112 0.000 1.078 373 L CA 1.184 55.879 54.840 -0.241 0.000 0.805 373 L CB 0.269 42.019 42.059 -0.515 0.000 0.963 373 L HN 0.571 nan 8.230 nan 0.000 0.459 374 F N -2.374 117.596 119.950 0.034 0.000 2.799 374 F HA 0.571 5.099 4.527 0.001 0.000 0.316 374 F C -0.793 175.034 175.800 0.047 0.000 1.155 374 F CA -1.700 56.321 58.000 0.035 0.000 0.916 374 F CB 0.530 39.548 39.000 0.030 0.000 1.294 374 F HN -0.148 nan 8.300 nan 0.000 0.447 375 K N 0.769 121.381 120.400 0.353 0.000 2.587 375 K HA 0.644 4.964 4.320 0.001 0.000 0.276 375 K C -2.570 174.176 176.600 0.243 0.000 0.956 375 K CA -0.833 55.605 56.287 0.251 0.000 0.857 375 K CB 2.422 34.996 32.500 0.124 0.000 1.431 375 K HN 1.125 nan 8.250 nan 0.000 0.420 376 H N 0.153 119.285 119.070 0.103 0.000 3.129 376 H HA 0.436 4.993 4.556 0.001 0.000 0.342 376 H C -2.010 173.371 175.328 0.089 0.000 1.092 376 H CA -0.259 55.833 56.048 0.073 0.000 1.310 376 H CB 1.825 31.624 29.762 0.062 0.000 1.932 376 H HN 0.576 nan 8.280 nan 0.000 0.507 377 S N 3.378 118.697 115.700 -0.635 0.000 2.568 377 S HA 0.251 4.722 4.470 0.001 0.000 0.293 377 S C -1.163 173.273 174.600 -0.275 0.000 1.089 377 S CA -0.976 57.056 58.200 -0.281 0.000 0.945 377 S CB 1.763 64.931 63.200 -0.053 0.000 1.077 377 S HN 0.668 nan 8.310 nan 0.000 0.485 378 D N 1.276 121.677 120.400 0.003 0.000 2.249 378 D HA 0.228 4.869 4.640 0.001 0.000 0.246 378 D C 0.725 177.063 176.300 0.062 0.000 1.114 378 D CA -0.797 53.215 54.000 0.020 0.000 0.854 378 D CB 0.617 41.380 40.800 -0.062 0.000 1.132 378 D HN 0.470 nan 8.370 nan 0.000 0.461 379 F N 3.290 123.296 119.950 0.093 0.000 2.502 379 F HA 0.124 4.652 4.527 0.002 0.000 0.298 379 F C 1.873 177.531 175.800 -0.236 0.000 1.111 379 F CA 0.139 58.029 58.000 -0.183 0.000 1.445 379 F CB -0.263 38.736 39.000 -0.002 0.000 1.081 379 F HN 0.204 nan 8.300 nan 0.000 0.558 380 R N 1.002 120.979 120.500 -0.872 0.000 2.091 380 R HA -0.143 4.198 4.340 0.001 0.000 0.238 380 R C 0.475 176.601 176.300 -0.289 0.000 1.136 380 R CA 1.682 57.411 56.100 -0.618 0.000 0.959 380 R CB -0.664 29.273 30.300 -0.606 0.000 0.856 380 R HN 0.507 nan 8.270 nan 0.000 0.437 381 D N -1.369 118.888 120.400 -0.238 0.000 2.894 381 D HA 0.012 4.653 4.640 0.001 0.000 0.273 381 D C -0.611 175.587 176.300 -0.169 0.000 1.328 381 D CA -0.420 53.489 54.000 -0.152 0.000 0.845 381 D CB -0.807 39.937 40.800 -0.093 0.000 1.072 381 D HN 0.113 nan 8.370 nan 0.000 0.484 382 N N 1.101 119.620 118.700 -0.301 0.000 2.716 382 N HA -0.291 4.450 4.740 0.001 0.000 0.250 382 N C -0.639 174.638 175.510 -0.388 0.000 1.033 382 N CA 0.278 53.041 53.050 -0.477 0.000 0.727 382 N CB -0.762 37.582 38.487 -0.238 0.000 0.950 382 N HN 0.244 nan 8.380 nan 0.000 0.541 383 F N -4.579 115.374 119.950 0.005 0.000 2.840 383 F HA -0.336 4.192 4.527 0.001 0.000 0.310 383 F C 1.720 177.529 175.800 0.015 0.000 0.688 383 F CA 0.768 58.767 58.000 -0.003 0.000 1.286 383 F CB -2.206 36.795 39.000 0.002 0.000 1.612 383 F HN 0.311 nan 8.300 nan 0.000 0.335 384 A N -0.988 121.903 122.820 0.118 0.000 1.902 384 A HA -0.074 4.247 4.320 0.001 0.000 0.217 384 A C 1.506 179.171 177.584 0.136 0.000 1.181 384 A CA 2.027 54.132 52.037 0.112 0.000 0.623 384 A CB -0.574 18.456 19.000 0.049 0.000 0.818 384 A HN 0.360 nan 8.150 nan 0.000 0.443 385 T N 1.037 115.644 114.554 0.089 0.000 2.738 385 T HA 0.436 4.787 4.350 0.001 0.000 0.293 385 T C -0.232 174.535 174.700 0.111 0.000 0.913 385 T CA 0.716 62.859 62.100 0.073 0.000 1.103 385 T CB 0.047 68.932 68.868 0.028 0.000 0.880 385 T HN 0.383 nan 8.240 nan 0.000 0.526 386 S N 3.584 119.368 115.700 0.139 0.000 2.547 386 S HA 0.720 5.190 4.470 0.001 0.000 0.270 386 S C -1.932 172.774 174.600 0.175 0.000 1.150 386 S CA -0.899 57.402 58.200 0.168 0.000 0.850 386 S CB 1.161 64.502 63.200 0.236 0.000 1.118 386 S HN 0.661 nan 8.310 nan 0.000 0.461 387 L N 3.748 125.079 121.223 0.180 0.000 2.470 387 L HA 0.867 5.207 4.340 0.001 0.000 0.268 387 L C -1.858 175.145 176.870 0.222 0.000 0.964 387 L CA -0.463 54.485 54.840 0.180 0.000 0.839 387 L CB 1.784 43.936 42.059 0.155 0.000 1.276 387 L HN 0.565 nan 8.230 nan 0.000 0.403 388 V N 2.778 122.820 119.914 0.213 0.000 2.638 388 V HA 0.650 4.771 4.120 0.001 0.000 0.306 388 V C -0.484 175.653 176.094 0.072 0.000 1.052 388 V CA -0.407 61.984 62.300 0.152 0.000 0.885 388 V CB 2.151 34.051 31.823 0.130 0.000 0.999 388 V HN 0.782 nan 8.190 nan 0.000 0.424 389 T N 4.620 119.121 114.554 -0.088 0.000 2.881 389 T HA 0.470 4.821 4.350 0.001 0.000 0.291 389 T C -0.183 174.319 174.700 -0.330 0.000 0.990 389 T CA -0.630 61.310 62.100 -0.267 0.000 0.976 389 T CB 1.178 69.688 68.868 -0.596 0.000 0.970 389 T HN 0.557 nan 8.240 nan 0.000 0.438 390 R N 1.377 121.773 120.500 -0.174 0.000 2.577 390 R HA 0.760 5.100 4.340 0.001 0.000 0.269 390 R C -0.013 176.210 176.300 -0.128 0.000 1.084 390 R CA -0.627 55.398 56.100 -0.125 0.000 1.163 390 R CB 0.805 31.076 30.300 -0.049 0.000 1.100 390 R HN 0.657 nan 8.270 nan 0.000 0.547 391 A N 0.627 123.405 122.820 -0.070 0.000 2.340 391 A HA 0.511 4.831 4.320 0.001 0.000 0.331 391 A C -0.456 177.166 177.584 0.064 0.000 1.140 391 A CA -0.476 51.554 52.037 -0.012 0.000 0.801 391 A CB 1.813 20.812 19.000 -0.001 0.000 1.234 391 A HN 0.614 nan 8.150 nan 0.000 0.469 392 T N 0.616 115.264 114.554 0.156 0.000 2.893 392 T HA 0.637 4.988 4.350 0.001 0.000 0.293 392 T C -0.813 174.114 174.700 0.377 0.000 1.027 392 T CA -0.697 61.540 62.100 0.228 0.000 0.988 392 T CB 0.874 69.898 68.868 0.261 0.000 1.043 392 T HN 0.866 nan 8.240 nan 0.000 0.461 393 K N 3.685 124.196 120.400 0.185 0.000 2.267 393 K HA 0.691 5.012 4.320 0.001 0.000 0.246 393 K C -1.013 175.374 176.600 -0.354 0.000 0.954 393 K CA -1.220 55.095 56.287 0.047 0.000 0.824 393 K CB 1.946 34.440 32.500 -0.011 0.000 1.167 393 K HN 0.466 nan 8.250 nan 0.000 0.431 394 L N 2.816 123.573 121.223 -0.777 0.000 2.295 394 L HA 0.440 4.781 4.340 0.001 0.000 0.285 394 L C -1.261 175.350 176.870 -0.431 0.000 1.035 394 L CA -0.913 53.360 54.840 -0.945 0.000 0.806 394 L CB 1.721 42.897 42.059 -1.471 0.000 1.214 394 L HN 0.554 nan 8.230 nan 0.000 0.426 395 V N 5.488 125.145 119.914 -0.427 0.000 2.483 395 V HA 0.369 4.489 4.120 0.001 0.000 0.297 395 V C -0.259 175.787 176.094 -0.080 0.000 1.027 395 V CA -0.634 61.541 62.300 -0.208 0.000 0.855 395 V CB 2.142 33.785 31.823 -0.299 0.000 0.995 395 V HN 0.470 nan 8.190 nan 0.000 0.424 396 V N 4.005 123.981 119.914 0.103 0.000 2.350 396 V HA 0.606 4.726 4.120 0.001 0.000 0.285 396 V C 0.113 176.363 176.094 0.259 0.000 1.014 396 V CA -0.042 62.350 62.300 0.152 0.000 0.831 396 V CB 1.523 33.466 31.823 0.201 0.000 1.000 396 V HN 0.869 nan 8.190 nan 0.000 0.433 397 S N 4.266 120.084 115.700 0.196 0.000 2.638 397 S HA 0.881 5.352 4.470 0.001 0.000 0.302 397 S C -0.964 173.710 174.600 0.123 0.000 1.096 397 S CA -0.544 57.731 58.200 0.126 0.000 0.953 397 S CB 2.062 65.343 63.200 0.135 0.000 1.107 397 S HN 0.924 nan 8.310 nan 0.000 0.503 398 Q N 1.767 121.597 119.800 0.050 0.000 2.522 398 Q HA 0.690 5.031 4.340 0.001 0.000 0.285 398 Q C -1.921 174.105 176.000 0.042 0.000 0.982 398 Q CA -0.887 55.005 55.803 0.149 0.000 0.805 398 Q CB 1.299 30.241 28.738 0.341 0.000 1.457 398 Q HN 0.641 nan 8.270 nan 0.000 0.394 399 I N 2.923 123.562 120.570 0.115 0.000 2.548 399 I HA 0.479 4.650 4.170 0.001 0.000 0.287 399 I C -1.261 174.971 176.117 0.192 0.000 1.103 399 I CA -0.859 60.472 61.300 0.051 0.000 1.049 399 I CB 1.497 39.501 38.000 0.007 0.000 1.232 399 I HN 0.700 nan 8.210 nan 0.000 0.429 400 F N 3.410 123.438 119.950 0.130 0.000 2.538 400 F HA 0.791 5.319 4.527 0.001 0.000 0.325 400 F C -0.558 175.336 175.800 0.157 0.000 1.066 400 F CA -0.816 57.273 58.000 0.148 0.000 0.946 400 F CB 1.548 40.636 39.000 0.146 0.000 1.199 400 F HN 0.139 nan 8.300 nan 0.000 0.473 401 T N 2.605 117.409 114.554 0.417 0.000 2.770 401 T HA 0.675 5.026 4.350 0.001 0.000 0.283 401 T C -0.411 174.467 174.700 0.296 0.000 0.988 401 T CA -0.410 61.843 62.100 0.255 0.000 0.957 401 T CB 1.063 70.020 68.868 0.148 0.000 0.930 401 T HN 0.906 nan 8.240 nan 0.000 0.443 402 A N 2.939 125.913 122.820 0.257 0.000 2.801 402 A HA 0.759 5.080 4.320 0.001 0.000 0.344 402 A C 1.169 178.719 177.584 -0.055 0.000 1.322 402 A CA 0.068 52.154 52.037 0.081 0.000 0.913 402 A CB -0.917 18.209 19.000 0.210 0.000 1.140 402 A HN 1.454 nan 8.150 nan 0.000 0.487 403 A N 2.053 124.833 122.820 -0.067 0.000 4.974 403 A HA -0.305 4.016 4.320 0.001 0.000 0.339 403 A C 0.989 178.612 177.584 0.066 0.000 1.785 403 A CA 1.660 53.705 52.037 0.013 0.000 0.707 403 A CB -2.067 16.929 19.000 -0.007 0.000 1.430 403 A HN 1.480 nan 8.150 nan 0.000 0.398 407 Y N 0.283 120.242 120.300 -0.568 0.000 2.345 407 Y HA 0.355 4.906 4.550 0.001 0.000 0.331 407 Y C 0.022 175.642 175.900 -0.467 0.000 0.959 407 Y CA -0.693 57.056 58.100 -0.585 0.000 1.204 407 Y CB 1.257 39.128 38.460 -0.981 0.000 1.135 407 Y HN 0.489 nan 8.280 nan 0.000 0.477 408 C N 5.629 124.799 119.300 -0.216 0.000 2.285 408 C HA 0.613 5.074 4.460 0.001 0.000 0.335 408 C C 0.032 174.764 174.990 -0.430 0.000 1.267 408 C CA -1.254 57.588 59.018 -0.293 0.000 1.762 408 C CB -1.133 26.520 27.740 -0.144 0.000 2.365 408 C HN 0.630 nan 8.230 nan 0.000 0.527 409 L N 3.696 124.592 121.223 -0.545 0.000 2.313 409 L HA 0.543 4.884 4.340 0.001 0.000 0.283 409 L C -1.115 175.341 176.870 -0.691 0.000 1.013 409 L CA -0.479 54.071 54.840 -0.485 0.000 0.816 409 L CB 0.715 42.670 42.059 -0.174 0.000 1.236 409 L HN 0.622 nan 8.230 nan 0.000 0.419 410 Y N 0.640 120.776 120.300 -0.275 0.000 2.327 410 Y HA 0.321 4.872 4.550 0.001 0.000 0.325 410 Y C -0.896 174.789 175.900 -0.359 0.000 0.999 410 Y CA -0.702 57.275 58.100 -0.204 0.000 1.195 410 Y CB 1.160 39.533 38.460 -0.145 0.000 1.132 410 Y HN 0.469 nan 8.280 nan 0.000 0.455 411 W N 3.756 125.072 121.300 0.028 0.000 2.332 411 W HA 0.634 5.295 4.660 0.002 0.000 0.306 411 W C -0.931 175.522 176.519 -0.110 0.000 1.149 411 W CA -0.745 56.547 57.345 -0.089 0.000 1.271 411 W CB 1.144 30.567 29.460 -0.062 0.000 1.243 411 W HN 0.151 nan 8.180 nan 0.000 0.459 412 V N 5.286 125.138 119.914 -0.104 0.000 2.417 412 V HA 0.432 4.552 4.120 0.001 0.000 0.291 412 V C -0.499 175.408 176.094 -0.311 0.000 1.024 412 V CA -1.097 61.121 62.300 -0.137 0.000 0.861 412 V CB 0.655 32.398 31.823 -0.133 0.000 0.985 412 V HN 0.199 nan 8.190 nan 0.000 0.436 413 F N 4.278 124.110 119.950 -0.197 0.000 2.450 413 F HA 0.756 5.284 4.527 0.001 0.000 0.332 413 F C 0.299 176.219 175.800 0.201 0.000 1.093 413 F CA -0.533 57.392 58.000 -0.125 0.000 1.003 413 F CB 1.828 40.643 39.000 -0.309 0.000 1.151 413 F HN 0.286 nan 8.300 nan 0.000 0.474 414 M N 1.565 121.519 119.600 0.590 0.000 2.644 414 M HA 0.309 4.790 4.480 0.001 0.000 0.304 414 M C 0.400 177.100 176.300 0.667 0.000 1.215 414 M CA -0.609 55.044 55.300 0.588 0.000 0.871 414 M CB 2.327 35.107 32.600 0.299 0.000 1.740 414 M HN 0.568 nan 8.290 nan 0.000 0.464 415 Q N 0.710 120.774 119.800 0.439 0.000 2.515 415 Q HA -0.093 4.247 4.340 0.001 0.000 0.214 415 Q C 0.069 176.163 176.000 0.157 0.000 0.971 415 Q CA 0.574 56.507 55.803 0.217 0.000 0.952 415 Q CB -0.152 28.634 28.738 0.081 0.000 0.999 415 Q HN 0.586 nan 8.270 nan 0.000 0.524 416 D N -1.689 118.824 120.400 0.188 0.000 2.398 416 D HA 0.098 4.739 4.640 0.001 0.000 0.210 416 D C 1.149 177.485 176.300 0.059 0.000 1.094 416 D CA 0.518 54.572 54.000 0.090 0.000 0.839 416 D CB 0.430 41.294 40.800 0.107 0.000 0.963 416 D HN 0.184 nan 8.370 nan 0.000 0.506 417 G N -0.056 108.866 108.800 0.203 0.000 2.195 417 G HA2 -0.144 3.817 3.960 0.001 0.000 0.246 417 G HA3 -0.144 3.817 3.960 0.001 0.000 0.246 417 G C 0.533 175.750 174.900 0.528 0.000 0.984 417 G CA 0.104 45.365 45.100 0.267 0.000 0.633 417 G HN 0.801 nan 8.290 nan 0.000 0.525 418 A N -0.164 122.878 122.820 0.370 0.000 2.304 418 A HA 0.793 5.114 4.320 0.001 0.000 0.271 418 A C 0.176 177.902 177.584 0.236 0.000 1.091 418 A CA 0.105 52.309 52.037 0.278 0.000 0.812 418 A CB 0.487 19.563 19.000 0.126 0.000 1.056 418 A HN 0.842 nan 8.150 nan 0.000 0.489 419 I N 0.710 121.337 120.570 0.096 0.000 2.533 419 I HA 0.493 4.664 4.170 0.001 0.000 0.290 419 I C 0.046 176.064 176.117 -0.166 0.000 1.056 419 I CA -0.395 60.771 61.300 -0.224 0.000 1.057 419 I CB 2.018 39.836 38.000 -0.303 0.000 1.240 419 I HN 0.810 nan 8.210 nan 0.000 0.423 420 R N 6.239 126.589 120.500 -0.250 0.000 2.750 420 R HA 0.629 4.970 4.340 0.001 0.000 0.281 420 R C -1.957 174.170 176.300 -0.288 0.000 0.972 420 R CA -0.708 55.264 56.100 -0.212 0.000 0.912 420 R CB 2.304 32.511 30.300 -0.156 0.000 1.187 420 R HN 0.615 nan 8.270 nan 0.000 0.464 421 L N 4.251 125.259 121.223 -0.358 0.000 2.316 421 L HA 0.442 4.783 4.340 0.001 0.000 0.280 421 L C -1.432 175.197 176.870 -0.401 0.000 1.006 421 L CA -0.599 53.912 54.840 -0.549 0.000 0.836 421 L CB 1.466 43.086 42.059 -0.732 0.000 1.221 421 L HN 0.730 nan 8.230 nan 0.000 0.418 422 D N 5.893 126.116 120.400 -0.295 0.000 2.192 422 D HA 0.570 5.210 4.640 0.001 0.000 0.246 422 D C -0.303 175.958 176.300 -0.066 0.000 1.042 422 D CA -0.007 53.902 54.000 -0.152 0.000 0.847 422 D CB 2.773 43.504 40.800 -0.114 0.000 1.186 422 D HN 0.369 nan 8.370 nan 0.000 0.461 423 I N 1.376 121.903 120.570 -0.071 0.000 2.647 423 I HA 0.384 4.555 4.170 0.001 0.000 0.295 423 I C -0.120 175.979 176.117 -0.030 0.000 1.078 423 I CA -0.765 60.486 61.300 -0.081 0.000 1.048 423 I CB 2.324 40.177 38.000 -0.245 0.000 1.239 423 I HN -0.046 nan 8.210 nan 0.000 0.421 424 R N 5.900 126.401 120.500 0.001 0.000 2.513 424 R HA 0.632 4.972 4.340 0.001 0.000 0.301 424 R C -1.442 174.771 176.300 -0.145 0.000 0.968 424 R CA -0.821 55.256 56.100 -0.037 0.000 0.872 424 R CB 2.365 32.698 30.300 0.056 0.000 1.177 424 R HN 0.489 nan 8.270 nan 0.000 0.444 425 L N 2.174 123.267 121.223 -0.217 0.000 2.282 425 L HA 0.529 4.870 4.340 0.001 0.000 0.288 425 L C 0.525 177.218 176.870 -0.295 0.000 1.033 425 L CA -0.266 54.356 54.840 -0.363 0.000 0.807 425 L CB 1.731 43.511 42.059 -0.464 0.000 1.209 425 L HN 0.655 nan 8.230 nan 0.000 0.423 426 T N 1.068 115.431 114.554 -0.318 0.000 2.598 426 T HA 0.841 5.192 4.350 0.001 0.000 0.289 426 T C -0.143 174.408 174.700 -0.250 0.000 1.056 426 T CA 0.372 62.330 62.100 -0.236 0.000 1.088 426 T CB 1.560 70.315 68.868 -0.188 0.000 1.519 426 T HN 1.004 nan 8.240 nan 0.000 0.488 427 G N 0.271 108.935 108.800 -0.228 0.000 2.451 427 G HA2 0.011 3.972 3.960 0.001 0.000 0.208 427 G HA3 0.011 3.972 3.960 0.001 0.000 0.208 427 G C -1.212 173.547 174.900 -0.235 0.000 1.248 427 G CA -0.231 44.733 45.100 -0.228 0.000 0.989 427 G HN 0.921 nan 8.290 nan 0.000 0.559 428 I N 0.805 121.233 120.570 -0.237 0.000 2.569 428 I HA 0.464 4.635 4.170 0.001 0.000 0.296 428 I C 0.671 176.681 176.117 -0.178 0.000 1.028 428 I CA -0.897 60.249 61.300 -0.256 0.000 1.082 428 I CB 1.826 39.561 38.000 -0.442 0.000 1.264 428 I HN 0.509 nan 8.210 nan 0.000 0.429 429 L N 4.908 126.127 121.223 -0.006 0.000 2.485 429 L HA 0.077 4.418 4.340 0.001 0.000 0.275 429 L C 0.782 177.655 176.870 0.004 0.000 1.207 429 L CA 0.097 54.979 54.840 0.071 0.000 0.855 429 L CB 0.024 42.185 42.059 0.169 0.000 1.114 429 L HN 0.676 nan 8.230 nan 0.000 0.485 430 N N 1.934 120.671 118.700 0.061 0.000 2.497 430 N HA 0.114 4.855 4.740 0.001 0.000 0.271 430 N C -0.785 174.794 175.510 0.114 0.000 1.142 430 N CA -0.207 52.915 53.050 0.119 0.000 0.965 430 N CB 1.099 39.666 38.487 0.133 0.000 1.077 430 N HN 0.699 nan 8.380 nan 0.000 0.462 431 T N 0.611 115.299 114.554 0.224 0.000 2.906 431 T HA 0.433 4.783 4.350 0.001 0.000 0.295 431 T C -1.090 173.706 174.700 0.159 0.000 1.061 431 T CA -0.736 61.449 62.100 0.142 0.000 1.000 431 T CB 1.551 70.540 68.868 0.201 0.000 1.103 431 T HN 0.521 nan 8.240 nan 0.000 0.486 432 Y N 1.131 121.320 120.300 -0.184 0.000 2.605 432 Y HA 0.697 5.248 4.550 0.001 0.000 0.343 432 Y C -0.580 175.245 175.900 -0.125 0.000 1.036 432 Y CA -2.225 55.751 58.100 -0.206 0.000 1.065 432 Y CB 1.507 39.733 38.460 -0.390 0.000 1.288 432 Y HN 1.000 nan 8.280 nan 0.000 0.481 433 I N 4.060 123.955 120.570 -1.125 0.000 2.696 433 I HA 0.293 4.463 4.170 0.001 0.000 0.284 433 I C -1.343 174.503 176.117 -0.452 0.000 1.129 433 I CA -0.288 60.609 61.300 -0.672 0.000 1.410 433 I CB 0.530 38.169 38.000 -0.601 0.000 1.399 433 I HN 0.595 nan 8.210 nan 0.000 0.579 434 L N 7.234 128.328 121.223 -0.216 0.000 2.409 434 L HA 0.634 4.975 4.340 0.001 0.000 0.272 434 L C 0.055 176.885 176.870 -0.066 0.000 0.980 434 L CA -0.122 54.663 54.840 -0.091 0.000 0.826 434 L CB 1.486 43.507 42.059 -0.064 0.000 1.268 434 L HN 0.651 nan 8.230 nan 0.000 0.407 435 G N 2.369 111.154 108.800 -0.024 0.000 2.614 435 G HA2 0.060 4.021 3.960 0.001 0.000 0.239 435 G HA3 0.060 4.021 3.960 0.001 0.000 0.239 435 G C 0.355 175.248 174.900 -0.011 0.000 1.240 435 G CA -0.141 44.953 45.100 -0.011 0.000 0.842 435 G HN 0.798 nan 8.290 nan 0.000 0.584 436 D N -0.002 120.397 120.400 -0.003 0.000 2.133 436 D HA -0.084 4.557 4.640 0.001 0.000 0.195 436 D C 1.061 177.359 176.300 -0.004 0.000 0.997 436 D CA 1.297 55.298 54.000 0.003 0.000 0.840 436 D CB 0.247 41.054 40.800 0.012 0.000 0.947 436 D HN 0.351 nan 8.370 nan 0.000 0.452 437 D N 0.109 120.510 120.400 0.001 0.000 2.593 437 D HA 0.064 4.705 4.640 0.001 0.000 0.241 437 D C -0.210 176.094 176.300 0.006 0.000 1.257 437 D CA -0.102 53.899 54.000 0.001 0.000 0.828 437 D CB 0.290 41.092 40.800 0.003 0.000 1.049 437 D HN 0.258 nan 8.370 nan 0.000 0.490 438 E N 1.296 121.500 120.200 0.008 0.000 2.216 438 E HA 0.193 4.543 4.350 0.001 0.000 0.279 438 E C -0.577 176.032 176.600 0.015 0.000 0.997 438 E CA -0.594 55.819 56.400 0.022 0.000 0.817 438 E CB 1.384 31.108 29.700 0.039 0.000 1.096 438 E HN -0.169 nan 8.360 nan 0.000 0.393 439 E N 2.813 123.024 120.200 0.018 0.000 2.200 439 E HA 0.273 4.624 4.350 0.001 0.000 0.283 439 E C -0.047 176.564 176.600 0.019 0.000 1.015 439 E CA -0.036 56.365 56.400 0.002 0.000 0.819 439 E CB 1.389 31.078 29.700 -0.017 0.000 1.081 439 E HN 0.555 nan 8.360 nan 0.000 0.397 440 A N 4.372 127.201 122.820 0.016 0.000 2.272 440 A HA 0.159 4.480 4.320 0.001 0.000 0.213 440 A C 1.393 178.987 177.584 0.016 0.000 1.183 440 A CA 0.956 53.025 52.037 0.053 0.000 0.719 440 A CB -1.587 17.438 19.000 0.042 0.000 0.771 440 A HN 1.096 nan 8.150 nan 0.000 0.484 441 G N -0.204 108.561 108.800 -0.059 0.000 2.606 441 G HA2 -0.280 3.680 3.960 0.001 0.000 0.285 441 G HA3 -0.280 3.680 3.960 0.001 0.000 0.285 441 G C -0.827 173.886 174.900 -0.311 0.000 1.311 441 G CA 0.243 45.221 45.100 -0.203 0.000 0.922 441 G HN 0.388 nan 8.290 nan 0.000 0.559 442 P HA 0.074 nan 4.420 nan 0.000 0.245 442 P C 1.104 178.165 177.300 -0.399 0.000 1.206 442 P CA 1.510 64.240 63.100 -0.617 0.000 0.781 442 P CB -0.099 31.071 31.700 -0.883 0.000 0.994 443 W N 0.447 121.786 121.300 0.065 0.000 3.003 443 W HA 0.399 5.060 4.660 0.002 0.000 0.257 443 W C 1.033 177.628 176.519 0.127 0.000 1.308 443 W CA -0.103 57.278 57.345 0.059 0.000 1.529 443 W CB 0.179 29.613 29.460 -0.044 0.000 1.115 443 W HN -0.037 nan 8.180 nan 0.000 0.659 444 G N -0.444 108.522 108.800 0.276 0.000 2.645 444 G HA2 0.544 4.505 3.960 0.001 0.000 0.292 444 G HA3 0.544 4.505 3.960 0.001 0.000 0.292 444 G C -1.415 173.573 174.900 0.146 0.000 1.415 444 G CA -0.626 44.643 45.100 0.281 0.000 0.785 444 G HN -0.277 nan 8.290 nan 0.000 0.483 445 T N -0.018 114.602 114.554 0.109 0.000 2.863 445 T HA 0.483 4.834 4.350 0.001 0.000 0.285 445 T C -0.006 174.693 174.700 -0.002 0.000 1.009 445 T CA -0.632 61.497 62.100 0.048 0.000 0.989 445 T CB 1.897 70.799 68.868 0.055 0.000 1.004 445 T HN 0.538 nan 8.240 nan 0.000 0.455 446 R N 2.734 123.222 120.500 -0.021 0.000 2.308 446 R HA 0.305 4.646 4.340 0.001 0.000 0.325 446 R C 0.925 177.184 176.300 -0.070 0.000 1.161 446 R CA -0.261 55.803 56.100 -0.060 0.000 1.022 446 R CB -0.196 30.069 30.300 -0.058 0.000 1.091 446 R HN 0.584 nan 8.270 nan 0.000 0.497 447 V N 2.088 121.925 119.914 -0.127 0.000 3.649 447 V HA 0.257 4.377 4.120 0.001 0.000 0.275 447 V C -0.322 175.748 176.094 -0.039 0.000 1.281 447 V CA -0.025 62.202 62.300 -0.121 0.000 1.143 447 V CB -1.090 30.573 31.823 -0.267 0.000 0.892 447 V HN 0.701 nan 8.190 nan 0.000 0.441 448 Y N -1.083 119.074 120.300 -0.238 0.000 2.598 448 Y HA 0.481 5.032 4.550 0.001 0.000 0.333 448 Y C -3.163 172.607 175.900 -0.216 0.000 1.196 448 Y CA -1.964 56.042 58.100 -0.157 0.000 1.145 448 Y CB 1.239 39.647 38.460 -0.086 0.000 1.349 448 Y HN -0.093 nan 8.280 nan 0.000 0.469 449 P HA 0.010 nan 4.420 nan 0.000 0.259 449 P C -0.362 176.675 177.300 -0.439 0.000 1.163 449 P CA 1.428 64.101 63.100 -0.711 0.000 0.760 449 P CB 0.274 31.173 31.700 -1.335 0.000 0.762 450 N N -0.462 118.093 118.700 -0.241 0.000 2.753 450 N HA -0.140 4.601 4.740 0.001 0.000 0.251 450 N C -0.708 174.721 175.510 -0.135 0.000 1.097 450 N CA 0.797 53.762 53.050 -0.142 0.000 0.786 450 N CB -1.400 37.031 38.487 -0.094 0.000 1.137 450 N HN 0.182 nan 8.380 nan 0.000 0.566 451 V N 1.101 120.936 119.914 -0.132 0.000 2.448 451 V HA 0.356 4.477 4.120 0.001 0.000 0.295 451 V C 0.304 176.306 176.094 -0.155 0.000 1.025 451 V CA -0.826 61.390 62.300 -0.140 0.000 0.859 451 V CB 2.123 33.839 31.823 -0.178 0.000 0.988 451 V HN 0.217 nan 8.190 nan 0.000 0.431 452 N N 2.982 121.600 118.700 -0.138 0.000 2.479 452 N HA 0.641 5.382 4.740 0.001 0.000 0.261 452 N C -0.476 174.945 175.510 -0.148 0.000 0.979 452 N CA -0.448 52.542 53.050 -0.100 0.000 0.930 452 N CB 1.307 39.777 38.487 -0.027 0.000 1.172 452 N HN 0.850 nan 8.380 nan 0.000 0.499 453 A N 3.473 126.241 122.820 -0.087 0.000 2.260 453 A HA 0.259 4.580 4.320 0.001 0.000 0.312 453 A C -0.549 177.107 177.584 0.121 0.000 1.321 453 A CA -0.392 51.626 52.037 -0.031 0.000 0.928 453 A CB -0.087 18.894 19.000 -0.031 0.000 1.158 453 A HN 0.839 nan 8.150 nan 0.000 0.542 454 H N 2.151 121.326 119.070 0.175 0.000 2.707 454 H HA 0.075 4.632 4.556 0.001 0.000 0.359 454 H C 0.176 175.667 175.328 0.272 0.000 1.113 454 H CA -0.548 55.644 56.048 0.241 0.000 1.422 454 H CB 0.694 30.630 29.762 0.289 0.000 1.443 454 H HN 0.670 nan 8.280 nan 0.000 0.591 455 N N 2.615 121.499 118.700 0.306 0.000 2.453 455 N HA 0.029 4.770 4.740 0.001 0.000 0.253 455 N C -0.130 175.320 175.510 -0.101 0.000 1.252 455 N CA 0.336 53.396 53.050 0.017 0.000 0.917 455 N CB 0.509 39.032 38.487 0.061 0.000 1.117 455 N HN 0.694 nan 8.380 nan 0.000 0.442 456 H N -2.037 116.753 119.070 -0.467 0.000 2.950 456 H HA 0.345 4.901 4.556 0.001 0.000 0.307 456 H C -1.459 173.572 175.328 -0.496 0.000 1.403 456 H CA -0.782 54.869 56.048 -0.662 0.000 1.145 456 H CB 0.940 29.848 29.762 -1.424 0.000 1.844 456 H HN 0.414 nan 8.280 nan 0.000 0.515 457 Q N 0.522 120.093 119.800 -0.382 0.000 2.387 457 Q HA 0.370 4.711 4.340 0.001 0.000 0.273 457 Q C -0.948 174.905 176.000 -0.245 0.000 1.089 457 Q CA -0.961 54.682 55.803 -0.267 0.000 0.824 457 Q CB 2.793 31.431 28.738 -0.166 0.000 1.367 457 Q HN 0.514 nan 8.270 nan 0.000 0.443 458 H N 2.022 121.082 119.070 -0.017 0.000 2.638 458 H HA 0.422 4.979 4.556 0.001 0.000 0.317 458 H C -0.916 174.280 175.328 -0.219 0.000 1.006 458 H CA -0.242 55.774 56.048 -0.053 0.000 1.222 458 H CB 0.797 30.657 29.762 0.163 0.000 1.419 458 H HN 0.363 nan 8.280 nan 0.000 0.489 459 L N 4.106 125.137 121.223 -0.320 0.000 2.365 459 L HA 0.449 4.790 4.340 0.001 0.000 0.273 459 L C -0.816 175.745 176.870 -0.516 0.000 1.000 459 L CA -0.785 53.905 54.840 -0.251 0.000 0.819 459 L CB 1.398 43.459 42.059 0.002 0.000 1.284 459 L HN 0.318 nan 8.230 nan 0.000 0.418 460 F N 0.151 119.932 119.950 -0.281 0.000 2.546 460 F HA 0.466 4.994 4.527 0.001 0.000 0.320 460 F C 0.396 176.003 175.800 -0.320 0.000 1.076 460 F CA -0.844 56.909 58.000 -0.410 0.000 0.928 460 F CB 2.116 40.633 39.000 -0.806 0.000 1.189 460 F HN 0.249 nan 8.300 nan 0.000 0.465 461 S N 3.625 119.200 115.700 -0.208 0.000 2.516 461 S HA 0.385 4.856 4.470 0.001 0.000 0.268 461 S C -0.826 173.817 174.600 0.070 0.000 1.251 461 S CA -0.605 57.477 58.200 -0.197 0.000 1.153 461 S CB -0.062 62.623 63.200 -0.858 0.000 1.009 461 S HN 0.646 nan 8.310 nan 0.000 0.479 462 L N 5.623 127.013 121.223 0.278 0.000 2.418 462 L HA 0.376 4.717 4.340 0.001 0.000 0.274 462 L C 0.391 177.272 176.870 0.017 0.000 1.135 462 L CA -0.031 54.950 54.840 0.236 0.000 0.870 462 L CB 0.450 42.695 42.059 0.310 0.000 1.154 462 L HN 0.678 nan 8.230 nan 0.000 0.462 463 R N 6.552 126.951 120.500 -0.168 0.000 2.295 463 R HA 0.545 4.886 4.340 0.001 0.000 0.324 463 R C -1.213 174.842 176.300 -0.409 0.000 0.968 463 R CA -0.570 55.190 56.100 -0.567 0.000 0.837 463 R CB 0.909 30.803 30.300 -0.676 0.000 1.133 463 R HN 0.638 nan 8.270 nan 0.000 0.450 464 I N 3.745 124.078 120.570 -0.395 0.000 2.389 464 I HA 0.179 4.350 4.170 0.001 0.000 0.288 464 I C -0.719 175.256 176.117 -0.236 0.000 0.999 464 I CA -0.817 60.261 61.300 -0.370 0.000 1.129 464 I CB 1.929 39.665 38.000 -0.439 0.000 1.288 464 I HN 0.536 nan 8.210 nan 0.000 0.444 465 D N 9.702 129.993 120.400 -0.181 0.000 2.473 465 D HA 0.333 4.974 4.640 0.001 0.000 0.226 465 D C -2.550 173.771 176.300 0.035 0.000 1.089 465 D CA -2.059 51.921 54.000 -0.032 0.000 0.883 465 D CB 1.463 42.279 40.800 0.027 0.000 1.029 465 D HN 0.150 nan 8.370 nan 0.000 0.517 466 P HA 0.355 nan 4.420 nan 0.000 0.278 466 P C -0.448 176.933 177.300 0.136 0.000 1.258 466 P CA -0.582 62.654 63.100 0.227 0.000 0.811 466 P CB 1.302 33.127 31.700 0.208 0.000 1.063 467 R N 1.396 121.978 120.500 0.137 0.000 2.533 467 R HA 0.254 4.595 4.340 0.001 0.000 0.268 467 R C -0.228 176.110 176.300 0.063 0.000 1.303 467 R CA -0.260 55.883 56.100 0.072 0.000 1.429 467 R CB -0.321 30.027 30.300 0.081 0.000 1.361 467 R HN 0.273 nan 8.270 nan 0.000 0.745 468 I N 2.679 123.297 120.570 0.080 0.000 2.818 468 I HA -0.046 4.125 4.170 0.001 0.000 0.285 468 I C 0.374 176.606 176.117 0.193 0.000 1.160 468 I CA 1.102 62.488 61.300 0.144 0.000 1.370 468 I CB -0.433 37.689 38.000 0.203 0.000 1.440 468 I HN 0.637 nan 8.210 nan 0.000 0.555 469 D N 4.820 125.370 120.400 0.249 0.000 2.870 469 D HA -0.145 4.496 4.640 0.001 0.000 0.228 469 D C 0.544 176.868 176.300 0.040 0.000 1.147 469 D CA 1.601 55.661 54.000 0.100 0.000 0.757 469 D CB -0.706 40.037 40.800 -0.095 0.000 1.091 469 D HN 1.152 nan 8.370 nan 0.000 0.429 470 G N -1.063 107.770 108.800 0.056 0.000 2.362 470 G HA2 0.009 3.970 3.960 0.001 0.000 0.517 470 G HA3 0.009 3.970 3.960 0.001 0.000 0.517 470 G C -1.275 173.635 174.900 0.017 0.000 1.256 470 G CA -0.235 44.882 45.100 0.028 0.000 1.027 470 G HN 0.190 nan 8.290 nan 0.000 0.491 471 D N 0.773 121.173 120.400 -0.001 0.000 2.225 471 D HA 0.539 5.179 4.640 0.001 0.000 0.249 471 D C 0.721 177.012 176.300 -0.015 0.000 1.052 471 D CA 1.232 55.223 54.000 -0.016 0.000 0.909 471 D CB 1.343 42.127 40.800 -0.027 0.000 1.186 471 D HN 2.033 nan 8.370 nan 0.000 0.431 472 G N 1.531 110.318 108.800 -0.022 0.000 2.721 472 G HA2 -0.150 3.810 3.960 0.001 0.000 0.462 472 G HA3 -0.150 3.810 3.960 0.001 0.000 0.462 472 G C -0.738 174.133 174.900 -0.047 0.000 1.062 472 G CA -0.823 44.261 45.100 -0.026 0.000 1.233 472 G HN 0.402 nan 8.290 nan 0.000 0.545 473 N N -0.387 118.274 118.700 -0.065 0.000 2.545 473 N HA 0.899 5.640 4.740 0.001 0.000 0.289 473 N C -0.135 175.244 175.510 -0.218 0.000 1.279 473 N CA -0.309 52.661 53.050 -0.133 0.000 0.824 473 N CB 2.141 40.596 38.487 -0.052 0.000 1.395 473 N HN 0.488 nan 8.380 nan 0.000 0.526 474 S N -0.879 114.551 115.700 -0.450 0.000 2.596 474 S HA 0.891 5.362 4.470 0.001 0.000 0.270 474 S C -1.377 172.980 174.600 -0.404 0.000 1.155 474 S CA -0.752 57.163 58.200 -0.475 0.000 0.827 474 S CB 1.914 64.651 63.200 -0.772 0.000 1.130 474 S HN 0.718 nan 8.310 nan 0.000 0.467 475 A N 0.372 123.186 122.820 -0.011 0.000 2.413 475 A HA 1.020 5.340 4.320 0.001 0.000 0.307 475 A C -0.777 176.803 177.584 -0.007 0.000 1.087 475 A CA -0.518 51.674 52.037 0.258 0.000 0.750 475 A CB 1.538 20.891 19.000 0.589 0.000 1.296 475 A HN 1.480 nan 8.150 nan 0.000 0.423 476 A N -0.216 122.566 122.820 -0.064 0.000 2.609 476 A HA 0.896 5.216 4.320 0.001 0.000 0.291 476 A C -0.412 177.012 177.584 -0.268 0.000 1.096 476 A CA -0.006 51.739 52.037 -0.485 0.000 0.684 476 A CB 1.048 20.019 19.000 -0.048 0.000 1.282 476 A HN 2.440 nan 8.150 nan 0.000 0.412 477 A N -0.284 122.373 122.820 -0.271 0.000 2.312 477 A HA 0.617 4.937 4.320 0.001 0.000 0.326 477 A C -0.500 177.005 177.584 -0.130 0.000 1.172 477 A CA -0.358 51.638 52.037 -0.068 0.000 0.821 477 A CB 0.382 19.478 19.000 0.160 0.000 1.166 477 A HN 1.218 nan 8.150 nan 0.000 0.493 478 C N 2.409 121.584 119.300 -0.207 0.000 2.322 478 C HA 0.599 5.060 4.460 0.001 0.000 0.324 478 C C -0.845 174.037 174.990 -0.179 0.000 1.249 478 C CA -0.836 58.094 59.018 -0.147 0.000 1.453 478 C CB 0.105 27.786 27.740 -0.098 0.000 2.145 478 C HN 0.789 nan 8.230 nan 0.000 0.466 479 D N 2.265 122.576 120.400 -0.150 0.000 2.502 479 D HA 0.479 5.120 4.640 0.001 0.000 0.249 479 D C -0.320 175.860 176.300 -0.200 0.000 1.092 479 D CA 0.064 53.962 54.000 -0.171 0.000 0.839 479 D CB 2.226 42.938 40.800 -0.147 0.000 1.264 479 D HN 0.647 nan 8.370 nan 0.000 0.511 480 A N 3.051 125.755 122.820 -0.193 0.000 2.409 480 A HA 0.381 4.701 4.320 0.001 0.000 0.267 480 A C 0.104 177.528 177.584 -0.267 0.000 1.127 480 A CA -0.060 51.845 52.037 -0.219 0.000 0.795 480 A CB 0.393 19.271 19.000 -0.205 0.000 1.061 480 A HN 0.386 nan 8.150 nan 0.000 0.502 481 K N 2.288 122.466 120.400 -0.370 0.000 2.464 481 K HA 0.437 4.758 4.320 0.001 0.000 0.253 481 K C -0.694 175.855 176.600 -0.085 0.000 0.933 481 K CA -0.618 55.492 56.287 -0.296 0.000 0.801 481 K CB 2.187 34.438 32.500 -0.415 0.000 1.271 481 K HN 0.607 nan 8.250 nan 0.000 0.430 482 S N 0.961 116.691 115.700 0.051 0.000 2.584 482 S HA 0.034 4.505 4.470 0.001 0.000 0.270 482 S C 0.434 175.222 174.600 0.314 0.000 1.346 482 S CA -0.306 58.012 58.200 0.197 0.000 1.018 482 S CB 1.029 64.303 63.200 0.124 0.000 0.899 482 S HN 0.611 nan 8.310 nan 0.000 0.542 483 S N 2.175 118.084 115.700 0.348 0.000 2.568 483 S HA 0.120 4.591 4.470 0.001 0.000 0.282 483 S C -1.227 173.503 174.600 0.215 0.000 1.338 483 S CA -1.161 57.239 58.200 0.332 0.000 1.045 483 S CB 0.300 63.666 63.200 0.276 0.000 0.873 483 S HN 0.535 nan 8.310 nan 0.000 0.516 484 P HA 0.002 nan 4.420 nan 0.000 0.225 484 P C -0.251 176.959 177.300 -0.151 0.000 1.156 484 P CA 0.730 63.797 63.100 -0.056 0.000 0.787 484 P CB -0.114 31.477 31.700 -0.182 0.000 0.802 485 Y N 2.425 122.746 120.300 0.036 0.000 2.411 485 Y HA 0.179 4.730 4.550 0.001 0.000 0.333 485 Y C -1.341 174.576 175.900 0.029 0.000 1.186 485 Y CA -2.184 55.929 58.100 0.021 0.000 1.381 485 Y CB -0.529 37.936 38.460 0.008 0.000 1.273 485 Y HN 0.049 nan 8.280 nan 0.000 0.546 486 P HA 0.083 nan 4.420 nan 0.000 0.278 486 P C -0.440 176.910 177.300 0.082 0.000 1.266 486 P CA -0.597 62.557 63.100 0.092 0.000 0.807 486 P CB 1.214 32.947 31.700 0.055 0.000 1.094 487 L N 0.536 121.792 121.223 0.054 0.000 2.559 487 L HA 0.051 4.391 4.340 0.001 0.000 0.282 487 L C 1.575 178.441 176.870 -0.008 0.000 1.232 487 L CA 1.841 56.697 54.840 0.026 0.000 0.885 487 L CB -0.742 41.331 42.059 0.024 0.000 1.131 487 L HN 0.921 nan 8.230 nan 0.000 0.498 488 G N 2.264 111.027 108.800 -0.061 0.000 2.179 488 G HA2 -0.291 3.670 3.960 0.001 0.000 0.260 488 G HA3 -0.291 3.670 3.960 0.001 0.000 0.260 488 G C 0.264 175.127 174.900 -0.061 0.000 0.977 488 G CA 0.400 45.447 45.100 -0.089 0.000 0.641 488 G HN 0.881 nan 8.290 nan 0.000 0.533 489 S N 0.103 115.789 115.700 -0.022 0.000 2.610 489 S HA 0.648 5.118 4.470 0.001 0.000 0.273 489 S C -0.872 173.697 174.600 -0.053 0.000 1.274 489 S CA -0.740 57.458 58.200 -0.003 0.000 1.023 489 S CB 2.318 65.568 63.200 0.083 0.000 0.962 489 S HN -0.027 nan 8.310 nan 0.000 0.523 490 P HA -0.106 nan 4.420 nan 0.000 0.217 490 P C 0.659 177.883 177.300 -0.125 0.000 1.148 490 P CA 1.270 64.317 63.100 -0.089 0.000 0.828 490 P CB -0.014 31.636 31.700 -0.083 0.000 0.783 491 E N -2.066 118.014 120.200 -0.200 0.000 2.371 491 E HA -0.003 4.347 4.350 0.001 0.000 0.194 491 E C 0.747 177.262 176.600 -0.141 0.000 1.012 491 E CA 0.470 56.688 56.400 -0.303 0.000 0.860 491 E CB -0.276 28.921 29.700 -0.839 0.000 0.811 491 E HN 0.092 nan 8.360 nan 0.000 0.502 492 N N -0.244 118.432 118.700 -0.040 0.000 2.620 492 N HA 0.079 4.820 4.740 0.001 0.000 0.277 492 N C 0.272 175.790 175.510 0.013 0.000 1.726 492 N CA -0.017 53.057 53.050 0.040 0.000 0.840 492 N CB 0.036 38.594 38.487 0.119 0.000 1.379 492 N HN -0.055 nan 8.380 nan 0.000 0.506 493 M N 0.255 119.825 119.600 -0.050 0.000 2.103 493 M HA -0.167 4.314 4.480 0.001 0.000 0.255 493 M C 0.297 176.388 176.300 -0.348 0.000 1.074 493 M CA 2.119 57.279 55.300 -0.234 0.000 1.090 493 M CB -0.346 32.035 32.600 -0.366 0.000 1.325 493 M HN 0.373 nan 8.290 nan 0.000 0.403 494 Y N -0.933 119.381 120.300 0.023 0.000 2.457 494 Y HA 0.434 4.985 4.550 0.001 0.000 0.263 494 Y C 1.500 177.427 175.900 0.044 0.000 1.164 494 Y CA 0.142 58.259 58.100 0.029 0.000 1.274 494 Y CB -0.268 38.206 38.460 0.023 0.000 1.097 494 Y HN 0.445 nan 8.280 nan 0.000 0.523 495 G N 1.454 110.343 108.800 0.149 0.000 2.179 495 G HA2 -0.372 3.589 3.960 0.001 0.000 0.257 495 G HA3 -0.372 3.589 3.960 0.001 0.000 0.257 495 G C 0.894 175.889 174.900 0.160 0.000 1.010 495 G CA 0.737 45.918 45.100 0.135 0.000 0.736 495 G HN 0.569 nan 8.290 nan 0.000 0.513 496 N N -0.119 118.687 118.700 0.176 0.000 2.325 496 N HA 0.371 5.111 4.740 0.001 0.000 0.182 496 N C 1.099 176.734 175.510 0.209 0.000 1.088 496 N CA 0.703 53.865 53.050 0.187 0.000 0.879 496 N CB -0.007 38.566 38.487 0.144 0.000 0.983 496 N HN 1.015 nan 8.380 nan 0.000 0.471 497 A N 1.049 123.965 122.820 0.161 0.000 2.511 497 A HA 0.407 4.727 4.320 0.001 0.000 0.242 497 A C -0.424 177.322 177.584 0.271 0.000 1.069 497 A CA -0.090 52.021 52.037 0.123 0.000 0.763 497 A CB -0.589 18.477 19.000 0.110 0.000 1.001 497 A HN 0.491 nan 8.150 nan 0.000 0.498 498 F N 0.880 120.925 119.950 0.159 0.000 2.678 498 F HA 0.707 5.235 4.527 0.001 0.000 0.308 498 F C -1.089 174.850 175.800 0.231 0.000 1.118 498 F CA -1.566 56.544 58.000 0.183 0.000 0.959 498 F CB 0.619 39.658 39.000 0.065 0.000 1.305 498 F HN 0.771 nan 8.300 nan 0.000 0.443 499 Y N -0.192 120.296 120.300 0.314 0.000 2.889 499 Y HA 0.836 5.387 4.550 0.001 0.000 0.317 499 Y C -1.357 174.665 175.900 0.203 0.000 1.414 499 Y CA -1.814 56.389 58.100 0.171 0.000 1.091 499 Y CB 0.817 39.318 38.460 0.067 0.000 1.358 499 Y HN 0.808 nan 8.280 nan 0.000 0.487 500 S N 0.305 116.015 115.700 0.017 0.000 2.478 500 S HA 0.319 4.789 4.470 0.001 0.000 0.312 500 S C -1.207 173.368 174.600 -0.042 0.000 1.094 500 S CA -0.614 57.526 58.200 -0.099 0.000 1.081 500 S CB 0.526 63.735 63.200 0.015 0.000 1.007 500 S HN 0.694 nan 8.310 nan 0.000 0.475 501 E N 3.766 123.867 120.200 -0.165 0.000 2.130 501 E HA 0.211 4.562 4.350 0.001 0.000 0.284 501 E C -0.609 175.990 176.600 -0.002 0.000 1.018 501 E CA -0.409 56.005 56.400 0.023 0.000 0.817 501 E CB 0.552 30.254 29.700 0.004 0.000 1.078 501 E HN 0.478 nan 8.360 nan 0.000 0.396 502 K N 3.693 124.104 120.400 0.018 0.000 2.253 502 K HA 0.205 4.525 4.320 0.001 0.000 0.277 502 K C -1.177 175.416 176.600 -0.011 0.000 1.053 502 K CA -0.306 55.960 56.287 -0.035 0.000 0.892 502 K CB 1.044 33.494 32.500 -0.083 0.000 1.102 502 K HN 0.382 nan 8.250 nan 0.000 0.469 503 T N 3.291 117.835 114.554 -0.017 0.000 2.947 503 T HA 0.060 4.410 4.350 0.001 0.000 0.337 503 T C -0.106 174.564 174.700 -0.051 0.000 1.139 503 T CA -0.502 61.617 62.100 0.031 0.000 0.992 503 T CB 0.751 69.689 68.868 0.116 0.000 1.043 503 T HN 0.640 nan 8.240 nan 0.000 0.498 504 T N 2.178 116.735 114.554 0.005 0.000 2.832 504 T HA 0.467 4.818 4.350 0.001 0.000 0.296 504 T C -0.025 174.739 174.700 0.107 0.000 0.968 504 T CA -0.660 61.441 62.100 0.001 0.000 1.107 504 T CB -0.161 68.843 68.868 0.226 0.000 0.916 504 T HN 0.206 nan 8.240 nan 0.000 0.517 505 F N 3.569 123.644 119.950 0.208 0.000 2.504 505 F HA 0.382 4.910 4.527 0.001 0.000 0.369 505 F C 1.387 177.257 175.800 0.116 0.000 1.082 505 F CA -0.995 57.093 58.000 0.147 0.000 1.216 505 F CB 0.581 39.667 39.000 0.143 0.000 1.108 505 F HN 0.710 nan 8.300 nan 0.000 0.554 506 K N 0.248 120.818 120.400 0.282 0.000 2.313 506 K HA 0.119 4.440 4.320 0.001 0.000 0.197 506 K C 0.485 177.168 176.600 0.138 0.000 1.061 506 K CA 0.612 57.003 56.287 0.174 0.000 0.980 506 K CB 0.459 33.041 32.500 0.135 0.000 0.888 506 K HN 0.577 nan 8.250 nan 0.000 0.502 507 T N -0.293 114.340 114.554 0.130 0.000 2.893 507 T HA 0.164 4.515 4.350 0.001 0.000 0.291 507 T C 1.099 175.825 174.700 0.044 0.000 1.028 507 T CA -0.665 61.481 62.100 0.077 0.000 0.995 507 T CB 2.012 70.912 68.868 0.055 0.000 1.051 507 T HN -0.267 nan 8.240 nan 0.000 0.470 508 V N 3.396 123.324 119.914 0.024 0.000 2.250 508 V HA -0.229 3.892 4.120 0.001 0.000 0.253 508 V C 2.682 178.719 176.094 -0.096 0.000 1.065 508 V CA 2.078 64.365 62.300 -0.021 0.000 1.039 508 V CB -0.524 31.297 31.823 -0.004 0.000 0.647 508 V HN 0.854 nan 8.190 nan 0.000 0.446 509 K N -0.392 119.965 120.400 -0.071 0.000 2.160 509 K HA -0.275 4.045 4.320 0.001 0.000 0.206 509 K C 1.765 178.275 176.600 -0.149 0.000 1.047 509 K CA 2.000 58.225 56.287 -0.102 0.000 0.930 509 K CB -0.286 32.185 32.500 -0.049 0.000 0.720 509 K HN 0.550 nan 8.250 nan 0.000 0.450 510 D N -0.125 120.204 120.400 -0.117 0.000 2.178 510 D HA -0.122 4.519 4.640 0.001 0.000 0.202 510 D C 1.967 177.929 176.300 -0.563 0.000 0.974 510 D CA 1.512 55.437 54.000 -0.125 0.000 0.841 510 D CB -0.152 40.715 40.800 0.112 0.000 0.953 510 D HN 0.345 nan 8.370 nan 0.000 0.478 511 S N 0.428 115.624 115.700 -0.840 0.000 2.428 511 S HA -0.071 4.400 4.470 0.001 0.000 0.230 511 S C 1.372 175.478 174.600 -0.824 0.000 1.014 511 S CA 0.032 57.314 58.200 -1.529 0.000 0.957 511 S CB -0.656 62.076 63.200 -0.780 0.000 0.784 511 S HN 0.205 nan 8.310 nan 0.000 0.499 512 L N 3.823 124.716 121.223 -0.550 0.000 2.694 512 L HA 0.154 4.494 4.340 0.001 0.000 0.287 512 L C 0.448 177.136 176.870 -0.304 0.000 1.249 512 L CA -0.111 54.372 54.840 -0.595 0.000 1.177 512 L CB -1.511 40.034 42.059 -0.857 0.000 1.435 512 L HN 0.445 nan 8.230 nan 0.000 0.440 513 T N -1.455 113.072 114.554 -0.044 0.000 2.930 513 T HA 0.576 4.926 4.350 0.001 0.000 0.290 513 T C -0.215 174.746 174.700 0.435 0.000 1.052 513 T CA -1.085 61.174 62.100 0.264 0.000 1.017 513 T CB 2.545 71.691 68.868 0.464 0.000 1.137 513 T HN 0.186 nan 8.240 nan 0.000 0.511 514 N N -0.251 118.729 118.700 0.466 0.000 2.328 514 N HA 0.363 5.103 4.740 0.001 0.000 0.299 514 N C -1.470 174.408 175.510 0.613 0.000 1.179 514 N CA -0.719 52.622 53.050 0.486 0.000 0.793 514 N CB 1.316 39.981 38.487 0.296 0.000 1.366 514 N HN 0.790 nan 8.380 nan 0.000 0.493 515 Y N 0.938 121.593 120.300 0.592 0.000 2.497 515 Y HA 0.105 4.655 4.550 0.001 0.000 0.334 515 Y C -0.303 175.733 175.900 0.226 0.000 1.199 515 Y CA 0.391 58.788 58.100 0.495 0.000 1.425 515 Y CB 0.575 39.357 38.460 0.537 0.000 1.291 515 Y HN 0.283 nan 8.280 nan 0.000 0.562 516 E N 3.857 123.570 120.200 -0.812 0.000 2.220 516 E HA 0.136 4.487 4.350 0.001 0.000 0.256 516 E C 0.484 176.593 176.600 -0.819 0.000 0.881 516 E CA 0.001 56.047 56.400 -0.590 0.000 0.766 516 E CB 1.623 31.146 29.700 -0.293 0.000 1.187 516 E HN 0.828 nan 8.360 nan 0.000 0.419 517 S N 1.921 117.303 115.700 -0.531 0.000 2.382 517 S HA -0.174 4.297 4.470 0.001 0.000 0.228 517 S C 1.897 176.394 174.600 -0.171 0.000 1.027 517 S CA 0.957 59.005 58.200 -0.255 0.000 0.991 517 S CB -0.130 63.070 63.200 0.001 0.000 0.823 517 S HN 0.486 nan 8.310 nan 0.000 0.469 518 A N 1.837 124.563 122.820 -0.157 0.000 2.076 518 A HA -0.038 4.283 4.320 0.001 0.000 0.220 518 A C 2.243 179.746 177.584 -0.135 0.000 1.160 518 A CA 1.871 53.839 52.037 -0.115 0.000 0.653 518 A CB -1.023 17.923 19.000 -0.091 0.000 0.801 518 A HN 0.821 nan 8.150 nan 0.000 0.455 519 T N -5.534 108.911 114.554 -0.181 0.000 3.091 519 T HA 0.439 4.789 4.350 0.001 0.000 0.277 519 T C 1.079 175.674 174.700 -0.174 0.000 0.996 519 T CA 0.868 62.862 62.100 -0.177 0.000 0.897 519 T CB -0.014 68.747 68.868 -0.178 0.000 1.109 519 T HN 1.631 nan 8.240 nan 0.000 0.534 520 G N 2.907 111.613 108.800 -0.157 0.000 2.356 520 G HA2 -0.357 3.604 3.960 0.001 0.000 0.296 520 G HA3 -0.357 3.604 3.960 0.001 0.000 0.296 520 G C 0.065 174.934 174.900 -0.052 0.000 1.022 520 G CA 0.355 45.428 45.100 -0.044 0.000 0.961 520 G HN 0.964 nan 8.290 nan 0.000 0.510 521 R N -0.022 120.352 120.500 -0.211 0.000 2.583 521 R HA 0.357 4.698 4.340 0.001 0.000 0.274 521 R C 0.732 176.856 176.300 -0.294 0.000 0.998 521 R CA 0.890 56.798 56.100 -0.320 0.000 1.081 521 R CB 0.249 30.239 30.300 -0.515 0.000 0.940 521 R HN 0.681 nan 8.270 nan 0.000 0.413 522 S N 3.701 119.148 115.700 -0.421 0.000 2.661 522 S HA 0.605 5.076 4.470 0.001 0.000 0.285 522 S C -1.209 173.201 174.600 -0.317 0.000 1.138 522 S CA -1.049 57.009 58.200 -0.237 0.000 0.855 522 S CB 1.381 64.576 63.200 -0.008 0.000 1.136 522 S HN 0.639 nan 8.310 nan 0.000 0.484 523 W N 0.493 121.899 121.300 0.177 0.000 2.819 523 W HA 0.456 5.117 4.660 0.001 0.000 0.337 523 W C -1.384 175.233 176.519 0.163 0.000 1.077 523 W CA -0.424 57.059 57.345 0.230 0.000 1.226 523 W CB 2.129 31.854 29.460 0.441 0.000 1.419 523 W HN 0.630 nan 8.180 nan 0.000 0.502 524 D N 1.910 122.544 120.400 0.390 0.000 2.256 524 D HA 0.530 5.171 4.640 0.001 0.000 0.246 524 D C -0.559 176.002 176.300 0.435 0.000 1.042 524 D CA -0.313 53.881 54.000 0.324 0.000 0.841 524 D CB 2.004 42.929 40.800 0.209 0.000 1.223 524 D HN 0.073 nan 8.370 nan 0.000 0.470 525 I N 3.453 124.235 120.570 0.353 0.000 2.382 525 I HA 0.439 4.610 4.170 0.001 0.000 0.286 525 I C -0.736 175.607 176.117 0.377 0.000 1.002 525 I CA -0.912 60.556 61.300 0.280 0.000 1.135 525 I CB 0.517 38.586 38.000 0.114 0.000 1.288 525 I HN 0.242 nan 8.210 nan 0.000 0.448 526 F N 3.197 123.228 119.950 0.134 0.000 2.692 526 F HA 0.511 5.039 4.527 0.001 0.000 0.320 526 F C -0.840 175.020 175.800 0.101 0.000 1.123 526 F CA -1.445 56.629 58.000 0.122 0.000 0.961 526 F CB 1.401 40.453 39.000 0.087 0.000 1.383 526 F HN 0.279 nan 8.300 nan 0.000 0.483 527 N N 2.244 121.085 118.700 0.235 0.000 2.609 527 N HA 0.367 5.108 4.740 0.001 0.000 0.234 527 N C -2.016 173.602 175.510 0.181 0.000 1.001 527 N CA -2.156 50.953 53.050 0.098 0.000 0.926 527 N CB 1.185 39.724 38.487 0.086 0.000 1.130 527 N HN 0.366 nan 8.380 nan 0.000 0.510 528 P HA -0.092 nan 4.420 nan 0.000 0.231 528 P C -0.070 177.296 177.300 0.109 0.000 1.158 528 P CA 0.907 64.137 63.100 0.216 0.000 0.763 528 P CB 0.277 32.071 31.700 0.158 0.000 0.805 529 N N -0.169 118.568 118.700 0.062 0.000 2.398 529 N HA 0.051 4.791 4.740 0.001 0.000 0.188 529 N C 0.491 176.015 175.510 0.022 0.000 1.122 529 N CA 0.569 53.639 53.050 0.033 0.000 0.866 529 N CB 0.443 38.939 38.487 0.015 0.000 0.970 529 N HN 0.343 nan 8.380 nan 0.000 0.462 530 K N -0.006 120.413 120.400 0.031 0.000 2.480 530 K HA 0.604 4.925 4.320 0.001 0.000 0.258 530 K C -1.102 175.501 176.600 0.004 0.000 0.990 530 K CA -0.705 55.582 56.287 0.000 0.000 0.857 530 K CB 3.022 35.502 32.500 -0.032 0.000 1.384 530 K HN -0.309 nan 8.250 nan 0.000 0.446 531 V N 0.729 120.629 119.914 -0.023 0.000 2.789 531 V HA 0.313 4.434 4.120 0.001 0.000 0.311 531 V C -0.647 175.422 176.094 -0.042 0.000 1.073 531 V CA -1.189 61.096 62.300 -0.025 0.000 0.921 531 V CB 1.796 33.608 31.823 -0.017 0.000 1.009 531 V HN 0.757 nan 8.190 nan 0.000 0.426 532 N N 5.161 123.845 118.700 -0.027 0.000 2.470 532 N HA 0.193 4.934 4.740 0.001 0.000 0.268 532 N C -1.459 174.041 175.510 -0.018 0.000 1.136 532 N CA -1.432 51.602 53.050 -0.027 0.000 0.961 532 N CB 2.091 40.617 38.487 0.065 0.000 1.067 532 N HN 0.410 nan 8.380 nan 0.000 0.468 533 P HA -0.119 nan 4.420 nan 0.000 0.222 533 P C 0.524 177.897 177.300 0.121 0.000 1.147 533 P CA 1.234 64.309 63.100 -0.042 0.000 0.790 533 P CB 0.184 31.795 31.700 -0.148 0.000 0.780 534 Y N 0.920 121.230 120.300 0.018 0.000 2.239 534 Y HA 0.000 4.551 4.550 0.001 0.000 0.293 534 Y C 2.893 178.811 175.900 0.030 0.000 1.126 534 Y CA 0.950 59.062 58.100 0.020 0.000 1.128 534 Y CB -1.339 37.134 38.460 0.022 0.000 1.066 534 Y HN 0.045 nan 8.280 nan 0.000 0.516 535 S N -1.054 114.797 115.700 0.251 0.000 2.461 535 S HA 0.176 4.647 4.470 0.001 0.000 0.228 535 S C 1.877 176.521 174.600 0.074 0.000 1.005 535 S CA 0.761 59.068 58.200 0.178 0.000 0.942 535 S CB -0.342 63.052 63.200 0.324 0.000 0.776 535 S HN 0.650 nan 8.310 nan 0.000 0.514 536 G N 0.968 109.800 108.800 0.052 0.000 2.159 536 G HA2 -0.207 3.754 3.960 0.001 0.000 0.256 536 G HA3 -0.207 3.754 3.960 0.001 0.000 0.256 536 G C -0.050 174.810 174.900 -0.067 0.000 0.977 536 G CA 0.370 45.468 45.100 -0.003 0.000 0.652 536 G HN 0.524 nan 8.290 nan 0.000 0.531 537 K N 0.731 121.050 120.400 -0.135 0.000 2.123 537 K HA 0.601 4.922 4.320 0.001 0.000 0.248 537 K C -2.260 174.248 176.600 -0.153 0.000 0.969 537 K CA -2.404 53.722 56.287 -0.268 0.000 0.882 537 K CB 1.443 33.520 32.500 -0.705 0.000 1.080 537 K HN 0.141 nan 8.250 nan 0.000 0.441 538 P HA 0.187 nan 4.420 nan 0.000 0.274 538 P C -2.524 174.814 177.300 0.063 0.000 1.237 538 P CA -1.435 61.673 63.100 0.014 0.000 0.793 538 P CB -0.364 31.421 31.700 0.141 0.000 0.977 539 P HA 0.077 nan 4.420 nan 0.000 0.271 539 P C -0.270 177.209 177.300 0.299 0.000 1.216 539 P CA 0.407 63.578 63.100 0.119 0.000 0.776 539 P CB 0.509 32.152 31.700 -0.096 0.000 0.881 540 S N 2.123 118.041 115.700 0.362 0.000 2.588 540 S HA 0.573 5.044 4.470 0.001 0.000 0.269 540 S C -1.907 172.832 174.600 0.230 0.000 1.157 540 S CA -0.651 57.761 58.200 0.355 0.000 0.824 540 S CB 1.091 64.465 63.200 0.291 0.000 1.126 540 S HN 0.246 nan 8.310 nan 0.000 0.464 541 Y N 1.205 121.565 120.300 0.100 0.000 2.350 541 Y HA 0.590 5.141 4.550 0.001 0.000 0.338 541 Y C 0.036 175.984 175.900 0.080 0.000 0.961 541 Y CA -0.483 57.628 58.100 0.019 0.000 1.100 541 Y CB 1.939 40.374 38.460 -0.041 0.000 1.179 541 Y HN 0.864 nan 8.280 nan 0.000 0.454 542 K N 4.838 125.281 120.400 0.071 0.000 2.235 542 K HA 0.448 4.769 4.320 0.001 0.000 0.266 542 K C -1.467 175.192 176.600 0.099 0.000 0.980 542 K CA -0.906 55.443 56.287 0.103 0.000 0.849 542 K CB 0.929 33.468 32.500 0.065 0.000 1.098 542 K HN 0.637 nan 8.250 nan 0.000 0.445 543 L N 5.808 127.109 121.223 0.129 0.000 2.325 543 L HA 0.202 4.543 4.340 0.001 0.000 0.284 543 L C -1.266 175.709 176.870 0.174 0.000 1.089 543 L CA 0.095 54.986 54.840 0.085 0.000 0.836 543 L CB 0.988 43.057 42.059 0.017 0.000 1.184 543 L HN 0.410 nan 8.230 nan 0.000 0.444 544 V N 5.200 125.163 119.914 0.081 0.000 2.259 544 V HA 0.454 4.574 4.120 0.001 0.000 0.267 544 V C 0.124 176.244 176.094 0.043 0.000 1.051 544 V CA -0.173 62.176 62.300 0.082 0.000 0.830 544 V CB 0.596 32.439 31.823 0.033 0.000 1.080 544 V HN 0.855 nan 8.190 nan 0.000 0.467 545 S N 2.795 118.563 115.700 0.113 0.000 2.538 545 S HA 0.583 5.054 4.470 0.001 0.000 0.288 545 S C 0.418 174.990 174.600 -0.046 0.000 1.108 545 S CA -0.194 58.049 58.200 0.072 0.000 0.971 545 S CB 2.251 65.567 63.200 0.195 0.000 1.041 545 S HN 0.616 nan 8.310 nan 0.000 0.483 546 T N 2.852 117.312 114.554 -0.156 0.000 2.969 546 T HA 0.235 4.586 4.350 0.001 0.000 0.258 546 T C 0.065 174.638 174.700 -0.211 0.000 0.962 546 T CA 0.188 62.017 62.100 -0.451 0.000 0.903 546 T CB 0.124 68.806 68.868 -0.309 0.000 1.177 546 T HN 0.666 nan 8.240 nan 0.000 0.511 547 Q N 1.282 121.082 119.800 -0.000 0.000 3.027 547 Q HA 0.266 4.607 4.340 0.001 0.000 0.260 547 Q C -0.843 175.275 176.000 0.196 0.000 1.379 547 Q CA -0.268 55.598 55.803 0.105 0.000 1.038 547 Q CB -0.335 28.485 28.738 0.136 0.000 1.578 547 Q HN 0.337 nan 8.270 nan 0.000 0.571 548 C N 2.766 122.176 119.300 0.184 0.000 2.439 548 C HA 0.360 4.820 4.460 0.001 0.000 0.298 548 C C -2.031 173.098 174.990 0.232 0.000 1.094 548 C CA -1.943 57.225 59.018 0.251 0.000 1.609 548 C CB -0.941 27.025 27.740 0.375 0.000 1.723 548 C HN 0.520 nan 8.230 nan 0.000 0.423 549 P HA 0.266 nan 4.420 nan 0.000 0.271 549 P C -2.219 175.142 177.300 0.101 0.000 1.216 549 P CA -0.737 62.441 63.100 0.129 0.000 0.776 549 P CB 0.103 31.856 31.700 0.088 0.000 0.881 550 P HA 0.140 nan 4.420 nan 0.000 0.276 550 P C -0.711 176.583 177.300 -0.010 0.000 1.244 550 P CA -0.502 62.623 63.100 0.042 0.000 0.801 550 P CB 0.594 32.322 31.700 0.046 0.000 1.006 551 L N 2.806 123.990 121.223 -0.064 0.000 2.433 551 L HA 0.056 4.397 4.340 0.001 0.000 0.275 551 L C 1.085 177.903 176.870 -0.087 0.000 1.128 551 L CA 0.374 55.149 54.840 -0.108 0.000 0.875 551 L CB -0.656 41.295 42.059 -0.179 0.000 1.171 551 L HN 0.324 nan 8.230 nan 0.000 0.463 552 L N 4.840 126.020 121.223 -0.072 0.000 2.313 552 L HA 0.140 4.481 4.340 0.001 0.000 0.214 552 L C 1.318 178.146 176.870 -0.072 0.000 1.119 552 L CA 0.363 55.175 54.840 -0.047 0.000 0.809 552 L CB -0.422 41.626 42.059 -0.019 0.000 0.933 552 L HN 0.830 nan 8.230 nan 0.000 0.449 553 A N 0.551 123.305 122.820 -0.110 0.000 2.440 553 A HA 0.205 4.526 4.320 0.001 0.000 0.251 553 A C 0.236 177.742 177.584 -0.130 0.000 1.089 553 A CA -0.270 51.688 52.037 -0.131 0.000 0.779 553 A CB 0.171 19.069 19.000 -0.170 0.000 1.022 553 A HN 0.036 nan 8.150 nan 0.000 0.492 554 K N 1.464 121.793 120.400 -0.118 0.000 2.397 554 K HA 0.095 4.416 4.320 0.001 0.000 0.265 554 K C 0.284 176.807 176.600 -0.128 0.000 0.982 554 K CA 0.535 56.757 56.287 -0.107 0.000 0.931 554 K CB 0.285 32.729 32.500 -0.094 0.000 0.943 554 K HN 0.771 nan 8.250 nan 0.000 0.501 555 E N 0.215 120.347 120.200 -0.114 0.000 2.392 555 E HA 0.172 4.522 4.350 0.001 0.000 0.264 555 E C 0.808 177.333 176.600 -0.126 0.000 1.024 555 E CA 0.469 56.794 56.400 -0.125 0.000 0.903 555 E CB 0.444 30.084 29.700 -0.101 0.000 0.963 555 E HN 0.761 nan 8.360 nan 0.000 0.432 556 G N 2.313 111.024 108.800 -0.148 0.000 2.199 556 G HA2 -0.344 3.617 3.960 0.001 0.000 0.254 556 G HA3 -0.344 3.617 3.960 0.001 0.000 0.254 556 G C 0.441 175.238 174.900 -0.171 0.000 0.982 556 G CA 0.364 45.375 45.100 -0.149 0.000 0.632 556 G HN 0.693 nan 8.290 nan 0.000 0.529 557 S N -0.203 115.388 115.700 -0.182 0.000 2.600 557 S HA 0.627 5.098 4.470 0.001 0.000 0.265 557 S C 1.610 176.055 174.600 -0.260 0.000 1.325 557 S CA -0.028 58.053 58.200 -0.199 0.000 1.002 557 S CB 1.556 64.638 63.200 -0.197 0.000 0.921 557 S HN 0.460 nan 8.310 nan 0.000 0.554 558 L N 1.116 122.173 121.223 -0.276 0.000 2.012 558 L HA -0.122 4.219 4.340 0.001 0.000 0.210 558 L C 2.573 179.175 176.870 -0.446 0.000 1.073 558 L CA 1.447 56.078 54.840 -0.350 0.000 0.748 558 L CB -0.603 41.267 42.059 -0.316 0.000 0.891 558 L HN 0.697 nan 8.230 nan 0.000 0.431 559 V N -0.104 119.524 119.914 -0.476 0.000 2.255 559 V HA -0.340 3.780 4.120 0.001 0.000 0.247 559 V C 2.701 178.582 176.094 -0.355 0.000 1.051 559 V CA 1.954 63.997 62.300 -0.427 0.000 1.018 559 V CB -0.957 30.666 31.823 -0.333 0.000 0.641 559 V HN 0.562 nan 8.190 nan 0.000 0.445 560 A N -0.603 122.024 122.820 -0.322 0.000 1.972 560 A HA -0.222 4.098 4.320 0.001 0.000 0.219 560 A C 2.281 179.665 177.584 -0.334 0.000 1.169 560 A CA 1.856 53.705 52.037 -0.314 0.000 0.635 560 A CB -0.381 18.466 19.000 -0.254 0.000 0.810 560 A HN 0.571 nan 8.150 nan 0.000 0.446 561 K N -0.680 119.504 120.400 -0.359 0.000 2.076 561 K HA -0.030 4.291 4.320 0.001 0.000 0.204 561 K C 2.025 178.296 176.600 -0.548 0.000 1.051 561 K CA 1.089 57.122 56.287 -0.423 0.000 0.949 561 K CB -0.133 32.086 32.500 -0.468 0.000 0.726 561 K HN 0.415 nan 8.250 nan 0.000 0.443 562 R N 0.356 120.546 120.500 -0.517 0.000 2.236 562 R HA 0.071 4.411 4.340 0.001 0.000 0.208 562 R C 0.673 176.895 176.300 -0.130 0.000 1.036 562 R CA 0.510 56.363 56.100 -0.412 0.000 1.001 562 R CB 0.278 30.449 30.300 -0.214 0.000 0.896 562 R HN -0.004 nan 8.270 nan 0.000 0.464 563 A N 1.589 124.218 122.820 -0.319 0.000 3.248 563 A HA 0.297 4.618 4.320 0.001 0.000 0.315 563 A C -1.980 175.136 177.584 -0.779 0.000 0.974 563 A CA -1.278 50.382 52.037 -0.628 0.000 0.939 563 A CB 0.491 18.996 19.000 -0.826 0.000 1.061 563 A HN -0.080 nan 8.150 nan 0.000 0.481 564 P HA -0.190 nan 4.420 nan 0.000 0.217 564 P C 1.406 178.567 177.300 -0.233 0.000 1.148 564 P CA 1.285 64.227 63.100 -0.264 0.000 0.828 564 P CB -0.232 31.403 31.700 -0.109 0.000 0.783 565 W N -0.130 121.129 121.300 -0.068 0.000 2.519 565 W HA 0.278 4.939 4.660 0.001 0.000 0.266 565 W C 1.564 178.085 176.519 0.005 0.000 1.253 565 W CA 0.558 57.883 57.345 -0.032 0.000 1.274 565 W CB -1.690 27.749 29.460 -0.035 0.000 1.114 565 W HN -0.090 nan 8.180 nan 0.000 0.596 566 A N 1.432 123.823 122.820 -0.714 0.000 2.168 566 A HA -0.065 4.256 4.320 0.001 0.000 0.215 566 A C 2.029 179.455 177.584 -0.265 0.000 1.152 566 A CA 1.508 53.224 52.037 -0.535 0.000 0.716 566 A CB -0.777 17.640 19.000 -0.971 0.000 0.794 566 A HN 0.244 nan 8.150 nan 0.000 0.465 567 S N -0.554 114.979 115.700 -0.278 0.000 2.515 567 S HA 0.025 4.496 4.470 0.001 0.000 0.231 567 S C 0.198 174.485 174.600 -0.521 0.000 0.987 567 S CA 0.492 58.470 58.200 -0.371 0.000 0.936 567 S CB -0.275 62.670 63.200 -0.425 0.000 0.766 567 S HN 0.780 nan 8.310 nan 0.000 0.528 568 H N -0.916 118.159 119.070 0.008 0.000 2.768 568 H HA 0.443 5.000 4.556 0.001 0.000 0.371 568 H C 0.537 175.920 175.328 0.092 0.000 1.151 568 H CA -0.526 55.553 56.048 0.053 0.000 1.165 568 H CB 1.512 31.287 29.762 0.022 0.000 1.722 568 H HN -0.124 nan 8.280 nan 0.000 0.543 569 S N 0.634 116.486 115.700 0.254 0.000 2.402 569 S HA 0.024 4.495 4.470 0.001 0.000 0.229 569 S C 0.430 175.091 174.600 0.101 0.000 1.021 569 S CA 0.620 58.941 58.200 0.200 0.000 0.974 569 S CB 0.299 63.712 63.200 0.355 0.000 0.800 569 S HN 0.255 nan 8.310 nan 0.000 0.484 570 V N 2.341 122.262 119.914 0.013 0.000 2.841 570 V HA 0.442 4.562 4.120 0.001 0.000 0.310 570 V C -1.094 174.883 176.094 -0.195 0.000 1.090 570 V CA -0.982 61.171 62.300 -0.245 0.000 0.930 570 V CB 2.143 33.566 31.823 -0.667 0.000 1.014 570 V HN 0.237 nan 8.190 nan 0.000 0.425 571 N N 2.758 121.331 118.700 -0.212 0.000 2.430 571 N HA 0.563 5.304 4.740 0.001 0.000 0.290 571 N C -1.539 173.900 175.510 -0.119 0.000 1.063 571 N CA -0.304 52.673 53.050 -0.122 0.000 0.883 571 N CB 2.734 41.248 38.487 0.044 0.000 1.465 571 N HN 0.342 nan 8.380 nan 0.000 0.493 572 V N 2.002 121.840 119.914 -0.127 0.000 2.487 572 V HA 0.535 4.655 4.120 0.001 0.000 0.298 572 V C 0.258 176.399 176.094 0.079 0.000 1.028 572 V CA -0.771 61.534 62.300 0.009 0.000 0.860 572 V CB 1.586 33.443 31.823 0.057 0.000 0.991 572 V HN 0.484 nan 8.190 nan 0.000 0.427 573 V N 3.168 123.174 119.914 0.152 0.000 3.102 573 V HA 0.806 4.927 4.120 0.001 0.000 0.312 573 V C -2.921 173.232 176.094 0.100 0.000 1.135 573 V CA -3.020 59.352 62.300 0.119 0.000 1.022 573 V CB 2.214 34.124 31.823 0.145 0.000 1.056 573 V HN 0.623 nan 8.190 nan 0.000 0.436 574 P HA 0.223 nan 4.420 nan 0.000 0.271 574 P C -1.279 176.022 177.300 0.002 0.000 1.218 574 P CA 0.112 63.242 63.100 0.050 0.000 0.780 574 P CB 0.099 31.817 31.700 0.031 0.000 0.901 575 Y N 2.840 123.107 120.300 -0.056 0.000 2.346 575 Y HA 0.379 4.930 4.550 0.001 0.000 0.330 575 Y C 0.121 175.945 175.900 -0.127 0.000 1.178 575 Y CA 0.467 58.504 58.100 -0.104 0.000 1.331 575 Y CB 0.701 39.112 38.460 -0.081 0.000 1.253 575 Y HN 0.256 nan 8.280 nan 0.000 0.529 576 K N 3.786 123.463 120.400 -1.205 0.000 2.542 576 K HA 0.213 4.534 4.320 0.001 0.000 0.259 576 K C -1.792 174.112 176.600 -1.159 0.000 0.932 576 K CA -0.740 55.043 56.287 -0.840 0.000 0.820 576 K CB 1.226 33.434 32.500 -0.488 0.000 1.345 576 K HN 0.625 nan 8.250 nan 0.000 0.432 577 D N 2.653 122.684 120.400 -0.614 0.000 2.488 577 D HA 0.010 4.651 4.640 0.001 0.000 0.238 577 D C 0.023 176.109 176.300 -0.356 0.000 1.138 577 D CA 1.047 54.835 54.000 -0.353 0.000 0.873 577 D CB 0.440 41.191 40.800 -0.081 0.000 1.183 577 D HN 0.583 nan 8.370 nan 0.000 0.458 578 N N 1.420 119.936 118.700 -0.306 0.000 2.829 578 N HA -0.213 4.528 4.740 0.001 0.000 0.250 578 N C -0.407 174.876 175.510 -0.379 0.000 1.090 578 N CA 0.430 53.301 53.050 -0.299 0.000 0.781 578 N CB -0.758 37.594 38.487 -0.226 0.000 1.124 578 N HN 0.456 nan 8.380 nan 0.000 0.559 579 R N 0.939 121.110 120.500 -0.549 0.000 2.825 579 R HA 0.332 4.673 4.340 0.001 0.000 0.261 579 R C 1.336 177.291 176.300 -0.576 0.000 1.341 579 R CA -0.069 55.542 56.100 -0.816 0.000 1.353 579 R CB 0.278 29.800 30.300 -1.298 0.000 1.191 579 R HN 0.218 nan 8.270 nan 0.000 0.590 580 L N 1.129 122.099 121.223 -0.421 0.000 2.515 580 L HA 0.234 4.574 4.340 0.001 0.000 0.202 580 L C -0.198 176.526 176.870 -0.243 0.000 1.056 580 L CA 0.156 54.687 54.840 -0.514 0.000 0.847 580 L CB 0.103 41.455 42.059 -1.177 0.000 1.131 580 L HN 0.321 nan 8.230 nan 0.000 0.484 581 Y N 1.636 122.111 120.300 0.292 0.000 2.385 581 Y HA 0.284 4.835 4.550 0.001 0.000 0.341 581 Y C -1.591 174.413 175.900 0.172 0.000 0.965 581 Y CA -3.500 54.713 58.100 0.189 0.000 1.180 581 Y CB -0.126 38.337 38.460 0.006 0.000 1.139 581 Y HN -0.072 nan 8.280 nan 0.000 0.502 582 P HA -0.093 nan 4.420 nan 0.000 0.222 582 P C 0.557 177.830 177.300 -0.046 0.000 1.147 582 P CA 1.130 64.099 63.100 -0.217 0.000 0.790 582 P CB 0.494 32.053 31.700 -0.234 0.000 0.780 583 S N -0.935 114.844 115.700 0.133 0.000 2.575 583 S HA 0.488 4.959 4.470 0.001 0.000 0.237 583 S C 0.800 175.377 174.600 -0.040 0.000 0.975 583 S CA 0.260 58.594 58.200 0.225 0.000 0.960 583 S CB -0.073 63.371 63.200 0.407 0.000 0.822 583 S HN 0.506 nan 8.310 nan 0.000 0.472 584 G N 1.362 110.061 108.800 -0.169 0.000 2.619 584 G HA2 -0.128 3.833 3.960 0.001 0.000 0.686 584 G HA3 -0.128 3.833 3.960 0.001 0.000 0.686 584 G C -0.447 174.382 174.900 -0.118 0.000 1.256 584 G CA -0.503 44.432 45.100 -0.275 0.000 0.826 584 G HN 0.172 nan 8.290 nan 0.000 0.619 585 D N -0.106 120.194 120.400 -0.167 0.000 2.149 585 D HA 0.044 4.685 4.640 0.001 0.000 0.201 585 D C 0.860 176.852 176.300 -0.514 0.000 0.972 585 D CA 1.378 55.226 54.000 -0.254 0.000 0.835 585 D CB 0.011 40.611 40.800 -0.334 0.000 0.966 585 D HN 0.487 nan 8.370 nan 0.000 0.476 586 H N 0.411 119.458 119.070 -0.037 0.000 2.725 586 H HA 0.237 4.794 4.556 0.001 0.000 0.283 586 H C 1.023 176.334 175.328 -0.028 0.000 1.110 586 H CA -0.308 55.729 56.048 -0.019 0.000 1.289 586 H CB 1.414 31.172 29.762 -0.006 0.000 1.400 586 H HN -0.192 nan 8.280 nan 0.000 0.493 587 V N 3.793 123.736 119.914 0.048 0.000 2.323 587 V HA -0.066 4.054 4.120 0.001 0.000 0.244 587 V C -1.525 174.663 176.094 0.156 0.000 1.041 587 V CA 0.779 63.139 62.300 0.099 0.000 1.025 587 V CB -1.128 30.720 31.823 0.040 0.000 0.656 587 V HN 0.479 nan 8.190 nan 0.000 0.451 588 P HA 0.008 nan 4.420 nan 0.000 0.264 588 P C 0.293 177.707 177.300 0.189 0.000 1.183 588 P CA 0.748 63.908 63.100 0.100 0.000 0.763 588 P CB -0.011 31.713 31.700 0.040 0.000 0.807 589 Q N -2.065 117.875 119.800 0.234 0.000 2.439 589 Q HA -0.235 4.105 4.340 0.001 0.000 0.247 589 Q C -0.358 175.915 176.000 0.455 0.000 0.899 589 Q CA 0.536 56.550 55.803 0.352 0.000 1.201 589 Q CB -1.673 27.215 28.738 0.250 0.000 1.608 589 Q HN 0.558 nan 8.270 nan 0.000 0.563 590 W N 1.380 122.760 121.300 0.133 0.000 2.238 590 W HA 0.329 4.990 4.660 0.001 0.000 0.321 590 W C 1.218 177.612 176.519 -0.209 0.000 1.293 590 W CA -0.233 57.118 57.345 0.010 0.000 1.204 590 W CB 0.608 30.060 29.460 -0.014 0.000 1.167 590 W HN 0.094 nan 8.180 nan 0.000 0.553 591 S N 3.299 118.615 115.700 -0.641 0.000 2.461 591 S HA 0.149 4.620 4.470 0.001 0.000 0.228 591 S C 1.511 175.330 174.600 -1.301 0.000 1.005 591 S CA 0.923 58.306 58.200 -1.361 0.000 0.942 591 S CB -0.300 62.331 63.200 -0.949 0.000 0.776 591 S HN 1.699 nan 8.310 nan 0.000 0.514 592 G N 0.576 108.152 108.800 -2.041 0.000 2.201 592 G HA2 -0.144 3.817 3.960 0.001 0.000 0.212 592 G HA3 -0.144 3.817 3.960 0.001 0.000 0.212 592 G C -0.509 173.793 174.900 -0.996 0.000 0.994 592 G CA 0.009 43.946 45.100 -1.938 0.000 0.644 592 G HN 0.554 nan 8.290 nan 0.000 0.508 593 D N 1.199 121.261 120.400 -0.563 0.000 2.225 593 D HA 0.556 5.197 4.640 0.001 0.000 0.248 593 D C 0.664 177.106 176.300 0.237 0.000 1.096 593 D CA 1.366 55.296 54.000 -0.116 0.000 0.863 593 D CB 1.404 42.147 40.800 -0.095 0.000 1.156 593 D HN 1.335 nan 8.370 nan 0.000 0.450 594 G N 0.216 109.139 108.800 0.204 0.000 2.402 594 G HA2 -0.057 3.904 3.960 0.001 0.000 0.666 594 G HA3 -0.057 3.904 3.960 0.001 0.000 0.666 594 G C -1.038 173.965 174.900 0.171 0.000 1.402 594 G CA -0.993 44.237 45.100 0.217 0.000 0.920 594 G HN 0.324 nan 8.290 nan 0.000 0.651 595 V N 2.618 122.565 119.914 0.055 0.000 2.299 595 V HA 0.607 4.728 4.120 0.001 0.000 0.255 595 V C 0.791 176.836 176.094 -0.082 0.000 1.100 595 V CA 0.450 62.747 62.300 -0.005 0.000 0.938 595 V CB -0.386 31.429 31.823 -0.013 0.000 1.139 595 V HN 0.977 nan 8.190 nan 0.000 0.490 596 R N 2.754 123.159 120.500 -0.158 0.000 2.764 596 R HA 0.840 5.181 4.340 0.001 0.000 0.270 596 R C 0.399 176.414 176.300 -0.475 0.000 1.014 596 R CA -0.193 55.714 56.100 -0.321 0.000 0.904 596 R CB 1.314 31.328 30.300 -0.476 0.000 1.236 596 R HN 0.762 nan 8.270 nan 0.000 0.466 597 G N 1.230 109.636 108.800 -0.657 0.000 2.564 597 G HA2 -0.422 3.539 3.960 0.001 0.000 0.273 597 G HA3 -0.422 3.539 3.960 0.001 0.000 0.273 597 G C 0.538 174.365 174.900 -1.789 0.000 1.242 597 G CA 0.723 45.147 45.100 -1.126 0.000 0.951 597 G HN 0.758 nan 8.290 nan 0.000 0.564 598 M N 0.384 119.184 119.600 -1.333 0.000 2.089 598 M HA -0.077 4.404 4.480 0.001 0.000 0.257 598 M C 2.488 178.514 176.300 -0.457 0.000 1.071 598 M CA 3.001 57.801 55.300 -0.833 0.000 1.096 598 M CB -0.593 31.812 32.600 -0.326 0.000 1.330 598 M HN 0.647 nan 8.290 nan 0.000 0.403 599 R N -0.457 119.850 120.500 -0.321 0.000 2.139 599 R HA -0.223 4.118 4.340 0.001 0.000 0.243 599 R C 2.213 178.416 176.300 -0.162 0.000 1.145 599 R CA 2.078 58.078 56.100 -0.165 0.000 0.976 599 R CB -0.373 29.881 30.300 -0.076 0.000 0.866 599 R HN 0.700 nan 8.270 nan 0.000 0.449 600 E N -0.625 119.406 120.200 -0.282 0.000 2.076 600 E HA -0.158 4.192 4.350 0.001 0.000 0.190 600 E C 1.415 178.022 176.600 0.011 0.000 0.979 600 E CA 0.918 57.227 56.400 -0.152 0.000 0.807 600 E CB -0.091 29.501 29.700 -0.181 0.000 0.761 600 E HN 0.395 nan 8.360 nan 0.000 0.454 601 W N 0.851 122.101 121.300 -0.083 0.000 2.363 601 W HA -0.054 4.606 4.660 0.001 0.000 0.296 601 W C 2.119 178.597 176.519 -0.069 0.000 1.212 601 W CA 0.265 57.557 57.345 -0.089 0.000 1.260 601 W CB -0.934 28.447 29.460 -0.132 0.000 1.131 601 W HN 0.162 nan 8.180 nan 0.000 0.530 602 I N -0.054 120.581 120.570 0.107 0.000 2.252 602 I HA -0.121 4.050 4.170 0.001 0.000 0.245 602 I C 2.189 178.323 176.117 0.028 0.000 1.102 602 I CA 1.658 62.983 61.300 0.040 0.000 1.385 602 I CB -1.068 36.922 38.000 -0.016 0.000 1.064 602 I HN 0.118 nan 8.210 nan 0.000 0.414 603 G N 2.023 110.833 108.800 0.017 0.000 2.591 603 G HA2 -0.424 3.537 3.960 0.001 0.000 0.298 603 G HA3 -0.424 3.537 3.960 0.001 0.000 0.298 603 G C 0.418 175.319 174.900 0.003 0.000 1.195 603 G CA 0.638 45.746 45.100 0.013 0.000 0.989 603 G HN 0.533 nan 8.290 nan 0.000 0.551 604 D N 1.347 121.751 120.400 0.007 0.000 2.325 604 D HA 0.406 5.046 4.640 0.001 0.000 0.225 604 D C 1.766 178.065 176.300 -0.001 0.000 1.096 604 D CA 1.024 55.025 54.000 0.002 0.000 0.844 604 D CB -0.433 40.370 40.800 0.005 0.000 0.925 604 D HN 2.138 nan 8.370 nan 0.000 0.513 605 G N 0.508 109.307 108.800 -0.002 0.000 2.166 605 G HA2 -0.379 3.581 3.960 0.001 0.000 0.260 605 G HA3 -0.379 3.581 3.960 0.001 0.000 0.260 605 G C 1.078 175.979 174.900 0.001 0.000 0.986 605 G CA 0.971 46.065 45.100 -0.010 0.000 0.683 605 G HN 0.743 nan 8.290 nan 0.000 0.527 606 S N -0.961 114.746 115.700 0.011 0.000 2.548 606 S HA 0.313 4.784 4.470 0.001 0.000 0.215 606 S C 0.635 175.251 174.600 0.027 0.000 0.976 606 S CA 0.617 58.828 58.200 0.019 0.000 0.908 606 S CB 0.427 63.638 63.200 0.018 0.000 0.781 606 S HN 0.597 nan 8.310 nan 0.000 0.519 607 E N 2.373 122.590 120.200 0.029 0.000 2.398 607 E HA 0.171 4.522 4.350 0.001 0.000 0.263 607 E C -0.214 176.413 176.600 0.045 0.000 1.046 607 E CA -0.356 56.065 56.400 0.035 0.000 0.908 607 E CB 0.302 30.024 29.700 0.037 0.000 0.963 607 E HN 0.437 nan 8.360 nan 0.000 0.431 608 N N 2.354 121.082 118.700 0.047 0.000 2.492 608 N HA 0.026 4.767 4.740 0.001 0.000 0.260 608 N C -0.115 175.435 175.510 0.066 0.000 1.215 608 N CA 0.270 53.355 53.050 0.057 0.000 0.923 608 N CB 0.399 38.916 38.487 0.049 0.000 1.092 608 N HN 0.531 nan 8.380 nan 0.000 0.448 609 I N -1.899 118.722 120.570 0.085 0.000 3.817 609 I HA 0.415 4.586 4.170 0.001 0.000 0.322 609 I C -0.565 175.607 176.117 0.091 0.000 1.512 609 I CA -0.555 60.803 61.300 0.098 0.000 1.066 609 I CB 0.336 38.415 38.000 0.132 0.000 1.336 609 I HN 0.235 nan 8.210 nan 0.000 0.539 610 D N 2.457 122.899 120.400 0.070 0.000 2.280 610 D HA 0.221 4.861 4.640 0.001 0.000 0.236 610 D C 0.305 176.611 176.300 0.010 0.000 1.082 610 D CA 0.046 54.072 54.000 0.043 0.000 0.834 610 D CB 0.721 41.565 40.800 0.073 0.000 1.100 610 D HN 0.256 nan 8.370 nan 0.000 0.486 611 N N 2.551 121.225 118.700 -0.044 0.000 2.708 611 N HA -0.218 4.523 4.740 0.001 0.000 0.255 611 N C -1.364 174.139 175.510 -0.012 0.000 1.046 611 N CA 1.253 54.279 53.050 -0.040 0.000 0.715 611 N CB -0.966 37.515 38.487 -0.010 0.000 0.895 611 N HN 0.547 nan 8.380 nan 0.000 0.545 612 T N -0.895 113.654 114.554 -0.009 0.000 2.648 612 T HA 0.316 4.667 4.350 0.001 0.000 0.304 612 T C -1.860 172.847 174.700 0.011 0.000 1.312 612 T CA -0.541 61.564 62.100 0.009 0.000 1.023 612 T CB 0.721 69.607 68.868 0.029 0.000 1.612 612 T HN 0.055 nan 8.240 nan 0.000 0.487 613 D N 2.306 122.721 120.400 0.024 0.000 2.316 613 D HA 0.472 5.112 4.640 0.001 0.000 0.245 613 D C 0.209 176.567 176.300 0.097 0.000 1.171 613 D CA 0.061 54.074 54.000 0.021 0.000 0.856 613 D CB 0.382 41.179 40.800 -0.006 0.000 1.090 613 D HN 0.614 nan 8.370 nan 0.000 0.476 614 I N -1.780 118.849 120.570 0.098 0.000 3.170 614 I HA 0.615 4.785 4.170 0.001 0.000 0.312 614 I C -1.119 175.105 176.117 0.179 0.000 1.085 614 I CA -1.167 60.221 61.300 0.147 0.000 0.999 614 I CB 1.941 40.031 38.000 0.149 0.000 1.233 614 I HN 0.009 nan 8.210 nan 0.000 0.467 615 L N 2.369 123.717 121.223 0.207 0.000 2.409 615 L HA 0.472 4.812 4.340 0.001 0.000 0.272 615 L C -1.544 175.513 176.870 0.310 0.000 0.980 615 L CA -0.396 54.569 54.840 0.208 0.000 0.826 615 L CB 2.349 44.549 42.059 0.235 0.000 1.268 615 L HN 0.525 nan 8.230 nan 0.000 0.407 616 F N 3.751 123.710 119.950 0.015 0.000 2.375 616 F HA 0.528 5.055 4.527 0.001 0.000 0.361 616 F C -0.926 174.858 175.800 -0.027 0.000 1.117 616 F CA -0.587 57.455 58.000 0.069 0.000 1.037 616 F CB 0.688 39.698 39.000 0.017 0.000 1.192 616 F HN 0.118 nan 8.300 nan 0.000 0.452 617 F N 5.287 125.318 119.950 0.136 0.000 2.385 617 F HA 0.270 4.797 4.527 0.001 0.000 0.360 617 F C -0.195 175.711 175.800 0.176 0.000 1.122 617 F CA -0.663 57.441 58.000 0.174 0.000 1.090 617 F CB 0.665 39.755 39.000 0.149 0.000 1.150 617 F HN 0.415 nan 8.300 nan 0.000 0.472 618 H N 1.630 120.880 119.070 0.299 0.000 2.476 618 H HA 0.453 5.010 4.556 0.001 0.000 0.328 618 H C -0.792 174.755 175.328 0.365 0.000 1.073 618 H CA -0.559 55.640 56.048 0.252 0.000 1.229 618 H CB 1.129 31.048 29.762 0.261 0.000 1.432 618 H HN 0.497 nan 8.280 nan 0.000 0.477 619 T N 7.621 122.154 114.554 -0.034 0.000 2.744 619 T HA 0.409 4.760 4.350 0.001 0.000 0.291 619 T C -0.892 173.767 174.700 -0.069 0.000 0.957 619 T CA -0.323 61.832 62.100 0.091 0.000 1.002 619 T CB -0.391 68.632 68.868 0.259 0.000 0.919 619 T HN 0.492 nan 8.240 nan 0.000 0.468 620 F N 0.457 120.351 119.950 -0.093 0.000 2.664 620 F HA 0.965 5.493 4.527 0.001 0.000 0.317 620 F C 0.132 176.083 175.800 0.252 0.000 1.108 620 F CA -0.883 57.106 58.000 -0.019 0.000 0.957 620 F CB 1.110 40.049 39.000 -0.101 0.000 1.365 620 F HN 0.840 nan 8.300 nan 0.000 0.475 621 G N 0.412 109.326 108.800 0.190 0.000 2.398 621 G HA2 0.473 4.434 3.960 0.001 0.000 0.251 621 G HA3 0.473 4.434 3.960 0.001 0.000 0.251 621 G C -1.948 173.082 174.900 0.217 0.000 1.277 621 G CA -0.216 45.026 45.100 0.236 0.000 0.927 621 G HN 1.573 nan 8.290 nan 0.000 0.477 622 I N -3.278 117.411 120.570 0.199 0.000 3.195 622 I HA 0.850 5.021 4.170 0.001 0.000 0.313 622 I C -0.827 175.326 176.117 0.059 0.000 1.237 622 I CA -1.029 60.344 61.300 0.122 0.000 0.963 622 I CB 2.178 40.234 38.000 0.093 0.000 1.278 622 I HN 0.463 nan 8.210 nan 0.000 0.460 623 T N 0.933 115.477 114.554 -0.017 0.000 2.791 623 T HA 0.330 4.681 4.350 0.001 0.000 0.288 623 T C -0.989 173.542 174.700 -0.282 0.000 0.999 623 T CA -0.146 61.838 62.100 -0.193 0.000 0.952 623 T CB -0.026 68.743 68.868 -0.164 0.000 0.938 623 T HN 0.633 nan 8.240 nan 0.000 0.444 624 H N 3.113 121.820 119.070 -0.604 0.000 2.594 624 H HA 0.398 4.955 4.556 0.001 0.000 0.304 624 H C -1.095 173.807 175.328 -0.709 0.000 1.068 624 H CA -1.008 54.694 56.048 -0.577 0.000 1.308 624 H CB 0.297 29.672 29.762 -0.645 0.000 1.409 624 H HN 0.415 nan 8.280 nan 0.000 0.460 625 F N 6.809 126.835 119.950 0.128 0.000 2.311 625 F HA 0.273 4.801 4.527 0.002 0.000 0.371 625 F C -1.964 173.891 175.800 0.091 0.000 1.083 625 F CA -2.569 55.452 58.000 0.035 0.000 1.113 625 F CB 0.870 39.898 39.000 0.047 0.000 1.349 625 F HN 0.538 nan 8.300 nan 0.000 0.470 626 P HA 0.213 nan 4.420 nan 0.000 0.265 626 P C -0.716 176.671 177.300 0.145 0.000 1.187 626 P CA 0.065 63.196 63.100 0.052 0.000 0.766 626 P CB 0.777 32.443 31.700 -0.058 0.000 0.820 627 A N 4.530 127.453 122.820 0.171 0.000 2.454 627 A HA 0.617 4.937 4.320 0.001 0.000 0.302 627 A C -2.003 175.658 177.584 0.129 0.000 1.079 627 A CA -1.615 50.499 52.037 0.130 0.000 0.731 627 A CB 0.882 19.959 19.000 0.128 0.000 1.299 627 A HN 0.252 nan 8.150 nan 0.000 0.413 628 P HA -0.168 nan 4.420 nan 0.000 0.218 628 P C 0.811 178.214 177.300 0.171 0.000 1.146 628 P CA 1.502 64.688 63.100 0.142 0.000 0.813 628 P CB 0.270 32.040 31.700 0.116 0.000 0.778 629 E N -0.690 119.587 120.200 0.128 0.000 2.209 629 E HA -0.173 4.178 4.350 0.001 0.000 0.196 629 E C 1.321 177.988 176.600 0.111 0.000 0.993 629 E CA 1.065 57.527 56.400 0.102 0.000 0.819 629 E CB -0.627 29.119 29.700 0.077 0.000 0.745 629 E HN 0.308 nan 8.360 nan 0.000 0.477 630 D N -1.052 119.445 120.400 0.162 0.000 2.355 630 D HA -0.009 4.632 4.640 0.001 0.000 0.218 630 D C -0.325 176.104 176.300 0.215 0.000 1.004 630 D CA 0.397 54.504 54.000 0.177 0.000 0.880 630 D CB 0.145 41.106 40.800 0.267 0.000 0.911 630 D HN 0.050 nan 8.370 nan 0.000 0.528 631 F N 0.745 120.709 119.950 0.023 0.000 2.522 631 F HA 0.325 4.852 4.527 0.001 0.000 0.324 631 F C -1.690 174.107 175.800 -0.004 0.000 1.077 631 F CA -2.407 55.595 58.000 0.003 0.000 0.944 631 F CB 2.054 41.074 39.000 0.033 0.000 1.175 631 F HN -0.288 nan 8.300 nan 0.000 0.468 632 P HA 0.092 nan 4.420 nan 0.000 0.240 632 P C -0.534 176.376 177.300 -0.650 0.000 1.190 632 P CA 0.825 63.161 63.100 -1.273 0.000 0.781 632 P CB 0.909 32.088 31.700 -0.869 0.000 0.931 633 L N 0.781 121.721 121.223 -0.471 0.000 2.409 633 L HA 0.481 4.822 4.340 0.001 0.000 0.272 633 L C -0.486 176.216 176.870 -0.280 0.000 0.980 633 L CA -1.216 53.298 54.840 -0.544 0.000 0.826 633 L CB 2.439 43.948 42.059 -0.918 0.000 1.268 633 L HN -0.125 nan 8.230 nan 0.000 0.407 634 M N 5.527 125.007 119.600 -0.200 0.000 2.264 634 M HA 0.597 5.078 4.480 0.001 0.000 0.352 634 M C -2.543 173.683 176.300 -0.124 0.000 1.173 634 M CA -1.428 53.811 55.300 -0.100 0.000 1.075 634 M CB 1.412 34.003 32.600 -0.015 0.000 1.621 634 M HN 0.212 nan 8.290 nan 0.000 0.457 635 P HA 0.177 nan 4.420 nan 0.000 0.271 635 P C -0.833 176.406 177.300 -0.101 0.000 1.218 635 P CA -0.164 62.882 63.100 -0.090 0.000 0.780 635 P CB 0.557 32.221 31.700 -0.060 0.000 0.901 636 A N 2.232 124.990 122.820 -0.102 0.000 2.540 636 A HA 0.047 4.368 4.320 0.001 0.000 0.239 636 A C 0.337 177.854 177.584 -0.111 0.000 1.061 636 A CA 0.305 52.275 52.037 -0.111 0.000 0.758 636 A CB -0.504 18.444 19.000 -0.087 0.000 0.991 636 A HN 0.597 nan 8.150 nan 0.000 0.502 637 E N 3.187 123.302 120.200 -0.140 0.000 2.158 637 E HA 0.493 4.844 4.350 0.001 0.000 0.271 637 E C -2.643 173.886 176.600 -0.118 0.000 0.911 637 E CA -2.247 54.071 56.400 -0.137 0.000 0.767 637 E CB 1.742 31.323 29.700 -0.199 0.000 1.120 637 E HN 0.506 nan 8.360 nan 0.000 0.405 638 P HA 0.383 nan 4.420 nan 0.000 0.286 638 P C -0.786 176.482 177.300 -0.054 0.000 1.261 638 P CA -0.350 62.707 63.100 -0.073 0.000 0.821 638 P CB 1.318 32.975 31.700 -0.071 0.000 1.013 639 I N 0.529 121.069 120.570 -0.051 0.000 2.656 639 I HA 0.514 4.684 4.170 0.001 0.000 0.292 639 I C -0.027 176.059 176.117 -0.051 0.000 1.144 639 I CA -0.420 60.874 61.300 -0.011 0.000 1.038 639 I CB 2.609 40.625 38.000 0.027 0.000 1.244 639 I HN 0.286 nan 8.210 nan 0.000 0.420 640 T N 6.444 120.959 114.554 -0.065 0.000 2.843 640 T HA 0.797 5.148 4.350 0.001 0.000 0.302 640 T C -1.866 172.712 174.700 -0.204 0.000 1.232 640 T CA -0.540 61.469 62.100 -0.151 0.000 1.009 640 T CB 1.809 70.602 68.868 -0.126 0.000 1.254 640 T HN 0.655 nan 8.240 nan 0.000 0.504 641 L N 2.186 123.245 121.223 -0.274 0.000 2.622 641 L HA 0.834 5.175 4.340 0.001 0.000 0.258 641 L C -2.114 174.630 176.870 -0.211 0.000 0.996 641 L CA -1.051 53.630 54.840 -0.265 0.000 0.858 641 L CB 2.186 43.968 42.059 -0.462 0.000 1.449 641 L HN 0.956 nan 8.230 nan 0.000 0.411 642 M N 2.523 122.041 119.600 -0.137 0.000 2.575 642 M HA 0.630 5.111 4.480 0.001 0.000 0.284 642 M C -2.269 174.011 176.300 -0.034 0.000 1.253 642 M CA -0.597 54.651 55.300 -0.087 0.000 0.861 642 M CB 2.672 35.240 32.600 -0.054 0.000 1.733 642 M HN 0.687 nan 8.290 nan 0.000 0.462 643 L N 3.987 125.231 121.223 0.036 0.000 2.388 643 L HA 0.555 4.896 4.340 0.001 0.000 0.267 643 L C -0.923 176.054 176.870 0.179 0.000 0.995 643 L CA -0.547 54.391 54.840 0.162 0.000 0.864 643 L CB 1.513 43.753 42.059 0.303 0.000 1.216 643 L HN 0.707 nan 8.230 nan 0.000 0.430 644 R N 3.554 124.048 120.500 -0.010 0.000 2.428 644 R HA 0.496 4.837 4.340 0.001 0.000 0.294 644 R C -2.570 173.360 176.300 -0.617 0.000 1.000 644 R CA -1.905 54.078 56.100 -0.196 0.000 0.960 644 R CB 0.811 31.048 30.300 -0.105 0.000 1.076 644 R HN 0.210 nan 8.270 nan 0.000 0.475 645 P HA 0.166 nan 4.420 nan 0.000 0.282 645 P C -0.953 176.132 177.300 -0.359 0.000 1.274 645 P CA -0.369 62.112 63.100 -1.032 0.000 0.770 645 P CB 0.942 32.214 31.700 -0.714 0.000 0.867 646 R N 3.335 123.701 120.500 -0.225 0.000 2.435 646 R HA 0.287 4.628 4.340 0.001 0.000 0.308 646 R C 0.486 176.782 176.300 -0.006 0.000 0.975 646 R CA -0.657 55.363 56.100 -0.134 0.000 0.867 646 R CB 0.019 30.298 30.300 -0.034 0.000 1.171 646 R HN 0.650 nan 8.270 nan 0.000 0.470 647 H N 0.806 119.892 119.070 0.027 0.000 3.428 647 H HA -0.213 4.344 4.556 0.001 0.000 0.204 647 H C 0.694 176.022 175.328 -0.001 0.000 1.078 647 H CA 1.092 57.152 56.048 0.021 0.000 1.183 647 H CB -1.230 28.534 29.762 0.003 0.000 1.132 647 H HN 0.516 nan 8.280 nan 0.000 0.323 648 F N 0.523 120.387 119.950 -0.143 0.000 2.149 648 F HA 0.149 4.677 4.527 0.001 0.000 0.294 648 F C 1.008 176.544 175.800 -0.441 0.000 1.095 648 F CA 0.779 58.571 58.000 -0.346 0.000 1.276 648 F CB 0.216 38.863 39.000 -0.589 0.000 1.023 648 F HN -0.061 nan 8.300 nan 0.000 0.480 649 F N -0.505 119.497 119.950 0.087 0.000 2.457 649 F HA 0.265 4.793 4.527 0.001 0.000 0.330 649 F C 1.602 177.367 175.800 -0.057 0.000 1.069 649 F CA -0.243 57.752 58.000 -0.009 0.000 1.009 649 F CB 0.610 39.614 39.000 0.007 0.000 1.276 649 F HN -0.242 nan 8.300 nan 0.000 0.492 650 T N -3.207 111.422 114.554 0.125 0.000 3.069 650 T HA 0.265 4.616 4.350 0.001 0.000 0.252 650 T C -0.174 174.598 174.700 0.119 0.000 1.053 650 T CA 0.111 62.190 62.100 -0.036 0.000 0.964 650 T CB -0.552 68.080 68.868 -0.393 0.000 1.005 650 T HN 0.733 nan 8.240 nan 0.000 0.532 651 E N 0.265 120.534 120.200 0.115 0.000 2.409 651 E HA 0.256 4.606 4.350 0.001 0.000 0.280 651 E C -1.485 175.107 176.600 -0.014 0.000 1.079 651 E CA -1.165 55.275 56.400 0.066 0.000 0.840 651 E CB 0.045 29.782 29.700 0.061 0.000 1.309 651 E HN -0.102 nan 8.360 nan 0.000 0.447 652 N N 2.279 120.936 118.700 -0.072 0.000 2.315 652 N HA -0.006 4.734 4.740 0.001 0.000 0.270 652 N C -1.334 174.078 175.510 -0.163 0.000 1.329 652 N CA -1.162 51.810 53.050 -0.131 0.000 0.860 652 N CB 0.734 39.102 38.487 -0.198 0.000 1.095 652 N HN 0.406 nan 8.380 nan 0.000 0.487 653 P HA 0.043 nan 4.420 nan 0.000 0.237 653 P C 0.623 177.849 177.300 -0.124 0.000 1.178 653 P CA 0.657 63.525 63.100 -0.388 0.000 0.766 653 P CB 0.103 31.142 31.700 -1.102 0.000 0.876 654 G N -0.435 108.370 108.800 0.009 0.000 3.502 654 G HA2 0.124 4.085 3.960 0.001 0.000 0.267 654 G HA3 0.124 4.085 3.960 0.001 0.000 0.267 654 G C 1.170 176.236 174.900 0.276 0.000 1.090 654 G CA -0.187 45.000 45.100 0.145 0.000 0.795 654 G HN 0.157 nan 8.290 nan 0.000 0.535 655 L N 0.897 122.207 121.223 0.145 0.000 2.362 655 L HA -0.003 4.338 4.340 0.001 0.000 0.219 655 L C 1.778 178.731 176.870 0.138 0.000 1.134 655 L CA 1.012 55.921 54.840 0.116 0.000 0.807 655 L CB 0.025 42.055 42.059 -0.047 0.000 0.927 655 L HN 0.270 nan 8.230 nan 0.000 0.447 656 D N -0.559 119.914 120.400 0.122 0.000 2.325 656 D HA 0.064 4.705 4.640 0.001 0.000 0.225 656 D C 0.541 176.883 176.300 0.070 0.000 1.096 656 D CA -0.042 54.017 54.000 0.098 0.000 0.844 656 D CB -0.136 40.747 40.800 0.138 0.000 0.925 656 D HN 0.185 nan 8.370 nan 0.000 0.513 657 I N 1.492 122.114 120.570 0.087 0.000 2.395 657 I HA 0.014 4.185 4.170 0.001 0.000 0.289 657 I C 0.602 176.746 176.117 0.045 0.000 1.023 657 I CA -0.684 60.638 61.300 0.035 0.000 1.350 657 I CB 1.017 39.022 38.000 0.009 0.000 1.409 657 I HN -0.235 nan 8.210 nan 0.000 0.507 658 Q N 7.590 127.401 119.800 0.019 0.000 2.247 658 Q HA 0.093 4.434 4.340 0.001 0.000 0.288 658 Q C -2.077 173.935 176.000 0.020 0.000 1.079 658 Q CA -1.144 54.671 55.803 0.021 0.000 0.932 658 Q CB 0.075 28.818 28.738 0.009 0.000 1.133 658 Q HN 0.301 nan 8.270 nan 0.000 0.377 659 P HA 0.065 nan 4.420 nan 0.000 0.270 659 P C 0.277 177.597 177.300 0.035 0.000 1.223 659 P CA -0.079 63.047 63.100 0.043 0.000 0.785 659 P CB 0.785 32.529 31.700 0.075 0.000 0.923 660 S N -0.358 115.371 115.700 0.048 0.000 2.395 660 S HA -0.023 4.448 4.470 0.001 0.000 0.225 660 S C 0.244 174.937 174.600 0.155 0.000 1.027 660 S CA 1.088 59.333 58.200 0.075 0.000 0.965 660 S CB -0.432 62.805 63.200 0.061 0.000 0.812 660 S HN 0.634 nan 8.310 nan 0.000 0.482 661 Y N -0.385 119.925 120.300 0.017 0.000 2.544 661 Y HA 0.590 5.141 4.550 0.001 0.000 0.342 661 Y C -1.615 174.308 175.900 0.038 0.000 1.062 661 Y CA -1.074 57.041 58.100 0.023 0.000 1.023 661 Y CB 1.309 39.780 38.460 0.019 0.000 1.308 661 Y HN -0.060 nan 8.280 nan 0.000 0.457 662 A N 6.248 128.582 122.820 -0.809 0.000 2.500 662 A HA 0.615 4.935 4.320 0.001 0.000 0.288 662 A C -1.955 175.292 177.584 -0.561 0.000 1.045 662 A CA -0.418 51.335 52.037 -0.473 0.000 0.830 662 A CB 0.850 19.742 19.000 -0.180 0.000 1.337 662 A HN 0.845 nan 8.150 nan 0.000 0.400 663 M N 2.789 122.175 119.600 -0.357 0.000 2.197 663 M HA 0.543 5.024 4.480 0.001 0.000 0.301 663 M C -0.284 175.984 176.300 -0.053 0.000 0.987 663 M CA 0.111 55.302 55.300 -0.181 0.000 0.921 663 M CB 1.806 34.380 32.600 -0.043 0.000 1.569 663 M HN 0.635 nan 8.290 nan 0.000 0.431 664 T N 2.499 117.024 114.554 -0.048 0.000 2.828 664 T HA 0.186 4.537 4.350 0.001 0.000 0.290 664 T C 1.052 175.747 174.700 -0.008 0.000 1.019 664 T CA -0.085 62.003 62.100 -0.021 0.000 1.031 664 T CB 1.221 70.073 68.868 -0.026 0.000 1.001 664 T HN 0.858 nan 8.240 nan 0.000 0.531 665 T N 1.581 116.131 114.554 -0.007 0.000 2.737 665 T HA -0.116 4.234 4.350 0.001 0.000 0.265 665 T C 2.357 177.048 174.700 -0.016 0.000 1.038 665 T CA 1.755 63.847 62.100 -0.013 0.000 1.144 665 T CB -0.434 68.420 68.868 -0.022 0.000 0.866 665 T HN 0.752 nan 8.240 nan 0.000 0.434 666 S N 1.595 117.285 115.700 -0.016 0.000 2.368 666 S HA -0.118 4.353 4.470 0.001 0.000 0.225 666 S C 1.876 176.468 174.600 -0.013 0.000 1.030 666 S CA 1.199 59.390 58.200 -0.016 0.000 0.999 666 S CB -0.488 62.703 63.200 -0.016 0.000 0.844 666 S HN 0.576 nan 8.310 nan 0.000 0.459 667 E N 1.728 121.920 120.200 -0.014 0.000 2.110 667 E HA -0.051 4.300 4.350 0.001 0.000 0.193 667 E C 2.387 178.986 176.600 -0.003 0.000 0.988 667 E CA 1.026 57.418 56.400 -0.013 0.000 0.804 667 E CB -0.440 29.245 29.700 -0.025 0.000 0.745 667 E HN 0.744 nan 8.360 nan 0.000 0.458 668 A N 1.287 124.108 122.820 0.002 0.000 1.972 668 A HA -0.201 4.120 4.320 0.001 0.000 0.219 668 A C 1.903 179.490 177.584 0.004 0.000 1.169 668 A CA 1.277 53.322 52.037 0.013 0.000 0.635 668 A CB -0.171 18.838 19.000 0.015 0.000 0.810 668 A HN 0.040 nan 8.150 nan 0.000 0.446 669 K N -0.851 119.546 120.400 -0.005 0.000 2.116 669 K HA -0.021 4.299 4.320 0.001 0.000 0.203 669 K C 2.324 178.921 176.600 -0.004 0.000 1.052 669 K CA 0.930 57.212 56.287 -0.008 0.000 0.952 669 K CB -0.127 32.365 32.500 -0.013 0.000 0.729 669 K HN 0.360 nan 8.250 nan 0.000 0.446 670 R N 0.571 121.069 120.500 -0.004 0.000 2.080 670 R HA -0.124 4.217 4.340 0.001 0.000 0.236 670 R C 2.179 178.480 176.300 0.002 0.000 1.137 670 R CA 1.565 57.664 56.100 -0.002 0.000 0.943 670 R CB -0.393 29.905 30.300 -0.003 0.000 0.846 670 R HN 0.162 nan 8.270 nan 0.000 0.431 671 A N 0.667 123.491 122.820 0.007 0.000 2.234 671 A HA 0.030 4.351 4.320 0.001 0.000 0.216 671 A C 0.667 178.257 177.584 0.010 0.000 1.167 671 A CA 0.754 52.800 52.037 0.014 0.000 0.698 671 A CB -0.242 18.773 19.000 0.025 0.000 0.779 671 A HN 0.181 nan 8.150 nan 0.000 0.475 672 V N 0.000 119.917 119.914 0.005 0.000 2.409 672 V HA 0.000 4.121 4.120 0.001 0.000 0.244 672 V CA 0.000 62.301 62.300 0.001 0.000 1.235 672 V CB 0.000 31.824 31.823 0.001 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556