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 4req_1_B DATA FIRST_RESID 20 DATA SEQUENCE TLSLAGDFPK ATEEQWEREV EKVLNRGRPP EKQLTFAECL KRLTVHTVDG DATA SEQUENCE IDIVPMYRPK DAPKKLGYPG VAPFTRGTTV RNGDMDAWDV RALHEDPDEK DATA SEQUENCE FTRKAILEGL ERGVTSLLLR VDPDAIAPEH LDEVLSDVLL EMTKVEVFSR DATA SEQUENCE YDQGAAAEAL VSVYERSDKP AKDLALNLGL DPIGFAALQG TEPDLTVLGD DATA SEQUENCE WVRRLAKFSP DSRAVTIDAN IYHNAGAGDV AELAWALATG AEYVRALVEQ DATA SEQUENCE GFTATEAFDT INFRVTATHD QFLTIARLRA LREAWARIGE VFGVDEDKRG DATA SEQUENCE ARQNAITSWR ELTREDPYVN ILRGSIATFS ASVGGAESIT TLPFTQALGL DATA SEQUENCE PEDDFPLRIA RNTGIVLAEE VNIGRVNDPA GGSYYVESLT RSLADAAWKE DATA SEQUENCE FQEVEKLGGM SKAVMTEHVT KVLDACNAER AKRLANRKQP ITAVSEFPMI DATA SEQUENCE GARSIETKPF PAAPARKGLA WHRDSEVFEQ LMDRSTSVSE RPKVFLACLG DATA SEQUENCE TRRDFGGREG FSSPVWHIAG IDTPQVEGGT TAEIVEAFKK SGAQVADLCS DATA SEQUENCE SAKVYAQQGL EVAKALKAAG AKALYLSGAF KEFGDDAAEA EKLIDGRLFM DATA SEQUENCE GMDVVDTLSS TLDILGVAK 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 20 T HA 0.000 nan 4.350 nan 0.000 0.228 20 T C 0.000 174.703 174.700 0.004 0.000 1.109 20 T CA 0.000 62.103 62.100 0.005 0.000 1.349 20 T CB 0.000 68.869 68.868 0.002 0.000 0.612 21 L N 3.575 124.802 121.223 0.007 0.000 2.477 21 L HA 0.630 4.970 4.340 0.001 0.000 0.272 21 L C 0.359 177.236 176.870 0.011 0.000 1.157 21 L CA 0.358 55.203 54.840 0.008 0.000 0.889 21 L CB 0.845 42.911 42.059 0.012 0.000 1.158 21 L HN 0.424 nan 8.230 nan 0.000 0.473 22 S N 5.206 120.910 115.700 0.006 0.000 2.475 22 S HA 0.468 4.938 4.470 0.001 0.000 0.281 22 S C 0.619 175.232 174.600 0.021 0.000 1.198 22 S CA -0.607 57.597 58.200 0.007 0.000 1.063 22 S CB 0.457 63.649 63.200 -0.013 0.000 0.972 22 S HN 0.773 nan 8.310 nan 0.000 0.486 23 L N 4.361 125.613 121.223 0.050 0.000 2.919 23 L HA 0.385 4.726 4.340 0.001 0.000 0.169 23 L C 2.552 179.527 176.870 0.174 0.000 1.228 23 L CA 0.567 55.465 54.840 0.097 0.000 0.862 23 L CB -0.941 41.165 42.059 0.078 0.000 1.313 23 L HN 0.727 nan 8.230 nan 0.000 0.526 24 A N 0.206 123.116 122.820 0.150 0.000 2.014 24 A HA -0.021 4.300 4.320 0.001 0.000 0.218 24 A C 2.108 179.797 177.584 0.174 0.000 1.163 24 A CA 1.377 53.533 52.037 0.198 0.000 0.652 24 A CB -1.081 17.985 19.000 0.110 0.000 0.808 24 A HN 0.488 nan 8.150 nan 0.000 0.449 25 G N -0.368 108.480 108.800 0.081 0.000 2.498 25 G HA2 -0.180 3.781 3.960 0.001 0.000 0.219 25 G HA3 -0.180 3.781 3.960 0.001 0.000 0.219 25 G C 0.855 175.734 174.900 -0.035 0.000 1.119 25 G CA 1.150 46.266 45.100 0.027 0.000 0.766 25 G HN 0.471 nan 8.290 nan 0.000 0.552 26 D N -0.739 119.588 120.400 -0.122 0.000 2.347 26 D HA 0.155 4.795 4.640 0.001 0.000 0.213 26 D C 0.092 176.021 176.300 -0.619 0.000 0.985 26 D CA 0.267 54.052 54.000 -0.359 0.000 0.879 26 D CB 0.136 40.609 40.800 -0.545 0.000 0.919 26 D HN 0.278 nan 8.370 nan 0.000 0.526 27 F N 0.042 119.993 119.950 0.002 0.000 2.579 27 F HA 0.421 4.949 4.527 0.001 0.000 0.324 27 F C -1.788 174.013 175.800 0.001 0.000 1.058 27 F CA -2.729 55.273 58.000 0.002 0.000 0.944 27 F CB 0.520 39.522 39.000 0.004 0.000 1.245 27 F HN -0.333 nan 8.300 nan 0.000 0.477 28 P HA -0.004 nan 4.420 nan 0.000 0.266 28 P C -0.843 176.519 177.300 0.104 0.000 1.195 28 P CA -0.383 62.787 63.100 0.116 0.000 0.768 28 P CB 0.494 32.251 31.700 0.096 0.000 0.838 29 K N 1.958 122.395 120.400 0.062 0.000 2.419 29 K HA 0.316 4.637 4.320 0.001 0.000 0.282 29 K C -0.052 176.567 176.600 0.033 0.000 1.056 29 K CA -0.366 55.948 56.287 0.044 0.000 1.035 29 K CB -0.056 32.459 32.500 0.025 0.000 0.921 29 K HN 0.547 nan 8.250 nan 0.000 0.472 30 A N 3.760 126.596 122.820 0.026 0.000 2.388 30 A HA 0.250 4.571 4.320 0.001 0.000 0.257 30 A C 0.125 177.710 177.584 0.001 0.000 1.095 30 A CA -0.225 51.820 52.037 0.013 0.000 0.791 30 A CB 0.357 19.358 19.000 0.002 0.000 1.029 30 A HN 0.860 nan 8.150 nan 0.000 0.489 31 T N -0.966 113.591 114.554 0.006 0.000 2.942 31 T HA 0.457 4.807 4.350 0.001 0.000 0.289 31 T C 0.799 175.503 174.700 0.007 0.000 1.044 31 T CA -0.060 62.037 62.100 -0.004 0.000 1.023 31 T CB 1.466 70.331 68.868 -0.006 0.000 1.123 31 T HN 0.684 nan 8.240 nan 0.000 0.512 32 E N 0.556 120.749 120.200 -0.010 0.000 2.058 32 E HA -0.168 4.183 4.350 0.001 0.000 0.194 32 E C 2.473 179.068 176.600 -0.009 0.000 0.997 32 E CA 1.965 58.365 56.400 0.001 0.000 0.801 32 E CB -0.582 29.097 29.700 -0.034 0.000 0.746 32 E HN 0.866 nan 8.360 nan 0.000 0.450 33 E N 0.890 121.062 120.200 -0.046 0.000 2.065 33 E HA -0.353 3.997 4.350 0.001 0.000 0.201 33 E C 1.817 178.378 176.600 -0.065 0.000 1.016 33 E CA 2.078 58.436 56.400 -0.071 0.000 0.818 33 E CB -1.054 28.621 29.700 -0.041 0.000 0.749 33 E HN 0.542 nan 8.360 nan 0.000 0.453 34 Q N -1.693 118.096 119.800 -0.018 0.000 2.061 34 Q HA -0.145 4.196 4.340 0.001 0.000 0.204 34 Q C 2.180 178.185 176.000 0.009 0.000 0.984 34 Q CA 1.785 57.585 55.803 -0.005 0.000 0.846 34 Q CB -0.345 28.404 28.738 0.019 0.000 0.902 34 Q HN 0.804 nan 8.270 nan 0.000 0.421 35 W N 1.978 123.195 121.300 -0.138 0.000 2.355 35 W HA -0.184 4.476 4.660 0.001 0.000 0.309 35 W C 1.590 177.989 176.519 -0.199 0.000 1.206 35 W CA 1.739 58.996 57.345 -0.146 0.000 1.284 35 W CB -0.050 29.321 29.460 -0.148 0.000 1.145 35 W HN 0.104 nan 8.180 nan 0.000 0.502 36 E N -0.150 119.764 120.200 -0.478 0.000 2.070 36 E HA -0.279 4.072 4.350 0.001 0.000 0.197 36 E C 2.179 178.545 176.600 -0.391 0.000 1.004 36 E CA 1.820 57.723 56.400 -0.827 0.000 0.805 36 E CB -0.434 28.721 29.700 -0.909 0.000 0.744 36 E HN 0.366 nan 8.360 nan 0.000 0.451 37 R N 0.653 121.014 120.500 -0.231 0.000 2.081 37 R HA -0.120 4.220 4.340 0.001 0.000 0.235 37 R C 2.258 178.469 176.300 -0.149 0.000 1.131 37 R CA 1.022 57.042 56.100 -0.133 0.000 0.960 37 R CB -0.132 30.118 30.300 -0.084 0.000 0.856 37 R HN 0.163 nan 8.270 nan 0.000 0.436 38 E N 0.489 120.576 120.200 -0.189 0.000 2.077 38 E HA -0.136 4.214 4.350 0.001 0.000 0.193 38 E C 2.204 178.662 176.600 -0.238 0.000 0.989 38 E CA 1.041 57.336 56.400 -0.176 0.000 0.800 38 E CB -0.251 29.368 29.700 -0.135 0.000 0.746 38 E HN 0.142 nan 8.360 nan 0.000 0.452 39 V N 1.739 121.410 119.914 -0.405 0.000 2.295 39 V HA -0.250 3.870 4.120 0.001 0.000 0.246 39 V C 2.243 178.248 176.094 -0.147 0.000 1.049 39 V CA 1.857 63.960 62.300 -0.329 0.000 1.024 39 V CB -0.523 31.024 31.823 -0.459 0.000 0.648 39 V HN 0.241 nan 8.190 nan 0.000 0.447 40 E N 0.153 120.300 120.200 -0.087 0.000 2.049 40 E HA -0.300 4.051 4.350 0.001 0.000 0.198 40 E C 2.299 178.864 176.600 -0.059 0.000 1.007 40 E CA 1.711 58.084 56.400 -0.045 0.000 0.809 40 E CB -0.229 29.459 29.700 -0.020 0.000 0.749 40 E HN 0.569 nan 8.360 nan 0.000 0.450 41 K N 0.287 120.646 120.400 -0.067 0.000 2.074 41 K HA -0.166 4.155 4.320 0.001 0.000 0.209 41 K C 2.148 178.717 176.600 -0.052 0.000 1.048 41 K CA 1.392 57.647 56.287 -0.054 0.000 0.926 41 K CB -0.152 32.316 32.500 -0.053 0.000 0.713 41 K HN -0.008 nan 8.250 nan 0.000 0.444 42 V N 0.939 120.816 119.914 -0.062 0.000 2.427 42 V HA -0.188 3.932 4.120 0.001 0.000 0.248 42 V C 1.861 177.926 176.094 -0.047 0.000 1.051 42 V CA 1.418 63.687 62.300 -0.051 0.000 1.048 42 V CB -0.288 31.502 31.823 -0.056 0.000 0.666 42 V HN 0.191 nan 8.190 nan 0.000 0.456 43 L N 0.156 121.346 121.223 -0.056 0.000 2.418 43 L HA 0.089 4.430 4.340 0.001 0.000 0.218 43 L C 1.911 178.755 176.870 -0.044 0.000 1.125 43 L CA 1.183 55.992 54.840 -0.052 0.000 0.835 43 L CB -0.744 41.275 42.059 -0.066 0.000 0.953 43 L HN 0.293 nan 8.230 nan 0.000 0.454 44 N N -0.211 118.465 118.700 -0.040 0.000 2.424 44 N HA 0.033 4.774 4.740 0.001 0.000 0.178 44 N C 0.470 175.963 175.510 -0.028 0.000 1.060 44 N CA 0.129 53.159 53.050 -0.033 0.000 0.901 44 N CB 0.121 38.589 38.487 -0.031 0.000 0.979 44 N HN 0.215 nan 8.380 nan 0.000 0.451 45 R N 0.451 120.934 120.500 -0.029 0.000 2.486 45 R HA 0.063 4.403 4.340 0.001 0.000 0.303 45 R C 1.116 177.403 176.300 -0.022 0.000 0.958 45 R CA 0.982 57.068 56.100 -0.024 0.000 1.077 45 R CB -0.196 30.090 30.300 -0.024 0.000 0.921 45 R HN 0.303 nan 8.270 nan 0.000 0.406 46 G N 2.893 111.681 108.800 -0.019 0.000 2.176 46 G HA2 -0.320 3.640 3.960 0.001 0.000 0.253 46 G HA3 -0.320 3.640 3.960 0.001 0.000 0.253 46 G C 0.070 174.959 174.900 -0.018 0.000 0.979 46 G CA -0.169 44.920 45.100 -0.018 0.000 0.641 46 G HN 0.542 nan 8.290 nan 0.000 0.530 47 R N 1.220 121.709 120.500 -0.019 0.000 2.368 47 R HA 0.477 4.818 4.340 0.001 0.000 0.302 47 R C -2.189 174.101 176.300 -0.017 0.000 1.002 47 R CA -1.730 54.359 56.100 -0.019 0.000 0.929 47 R CB 1.204 31.490 30.300 -0.022 0.000 1.073 47 R HN 0.122 nan 8.270 nan 0.000 0.464 48 P HA 0.019 nan 4.420 nan 0.000 0.269 48 P C -2.068 175.224 177.300 -0.013 0.000 1.217 48 P CA -1.198 61.894 63.100 -0.013 0.000 0.783 48 P CB 0.202 31.895 31.700 -0.011 0.000 0.898 49 P HA -0.146 nan 4.420 nan 0.000 0.218 49 P C 1.135 178.428 177.300 -0.011 0.000 1.146 49 P CA 1.953 65.047 63.100 -0.011 0.000 0.813 49 P CB -0.447 31.247 31.700 -0.009 0.000 0.778 50 E N -0.013 120.180 120.200 -0.010 0.000 2.481 50 E HA 0.066 4.417 4.350 0.001 0.000 0.198 50 E C 1.351 177.944 176.600 -0.012 0.000 1.027 50 E CA 0.220 56.614 56.400 -0.010 0.000 0.900 50 E CB -0.527 29.168 29.700 -0.009 0.000 0.993 50 E HN 0.293 nan 8.360 nan 0.000 0.482 51 K N 1.131 121.523 120.400 -0.014 0.000 2.726 51 K HA 0.152 4.472 4.320 0.001 0.000 0.209 51 K C -0.221 176.368 176.600 -0.019 0.000 1.082 51 K CA -0.248 56.029 56.287 -0.016 0.000 1.081 51 K CB 0.729 33.219 32.500 -0.016 0.000 0.830 51 K HN 0.156 nan 8.250 nan 0.000 0.470 52 Q N 1.238 121.027 119.800 -0.018 0.000 2.314 52 Q HA 0.216 4.557 4.340 0.001 0.000 0.258 52 Q C -0.027 175.959 176.000 -0.023 0.000 0.954 52 Q CA 0.148 55.939 55.803 -0.020 0.000 0.890 52 Q CB 1.168 29.896 28.738 -0.017 0.000 1.210 52 Q HN 0.268 nan 8.270 nan 0.000 0.410 53 L N 1.844 123.050 121.223 -0.029 0.000 2.334 53 L HA 0.370 4.711 4.340 0.001 0.000 0.277 53 L C 1.032 177.884 176.870 -0.030 0.000 1.075 53 L CA -0.657 54.160 54.840 -0.038 0.000 0.804 53 L CB 1.127 43.154 42.059 -0.055 0.000 1.174 53 L HN 0.658 nan 8.230 nan 0.000 0.438 54 T N -1.867 112.670 114.554 -0.030 0.000 2.862 54 T HA 0.195 4.546 4.350 0.001 0.000 0.276 54 T C 0.863 175.558 174.700 -0.009 0.000 0.974 54 T CA -0.399 61.700 62.100 -0.001 0.000 0.966 54 T CB 0.884 69.756 68.868 0.006 0.000 1.072 54 T HN 0.433 nan 8.240 nan 0.000 0.538 55 F N 1.458 121.366 119.950 -0.071 0.000 2.095 55 F HA 0.040 4.568 4.527 0.001 0.000 0.298 55 F C 2.647 178.408 175.800 -0.065 0.000 1.104 55 F CA 1.905 59.850 58.000 -0.093 0.000 1.232 55 F CB -1.106 37.834 39.000 -0.099 0.000 0.987 55 F HN 0.746 nan 8.300 nan 0.000 0.475 56 A N 0.161 122.868 122.820 -0.188 0.000 1.917 56 A HA -0.272 4.049 4.320 0.001 0.000 0.219 56 A C 2.148 179.581 177.584 -0.252 0.000 1.182 56 A CA 2.185 54.094 52.037 -0.213 0.000 0.633 56 A CB -1.010 17.962 19.000 -0.047 0.000 0.819 56 A HN 0.607 nan 8.150 nan 0.000 0.448 57 E N -0.989 119.098 120.200 -0.187 0.000 2.047 57 E HA -0.178 4.173 4.350 0.001 0.000 0.191 57 E C 2.162 178.637 176.600 -0.209 0.000 0.987 57 E CA 1.253 57.563 56.400 -0.150 0.000 0.799 57 E CB -0.386 29.256 29.700 -0.097 0.000 0.752 57 E HN 0.693 nan 8.360 nan 0.000 0.449 58 C N 0.800 119.924 119.300 -0.293 0.000 2.413 58 C HA -0.144 4.316 4.460 0.001 0.000 0.276 58 C C 2.688 177.435 174.990 -0.404 0.000 1.236 58 C CA 0.445 59.271 59.018 -0.320 0.000 1.735 58 C CB -0.907 26.638 27.740 -0.326 0.000 2.031 58 C HN 0.429 nan 8.230 nan 0.000 0.474 59 L N 1.629 122.438 121.223 -0.690 0.000 1.989 59 L HA -0.179 4.162 4.340 0.001 0.000 0.211 59 L C 2.449 179.168 176.870 -0.251 0.000 1.071 59 L CA 1.979 56.507 54.840 -0.520 0.000 0.749 59 L CB -0.793 40.889 42.059 -0.628 0.000 0.890 59 L HN 0.283 nan 8.230 nan 0.000 0.431 60 K N -0.635 119.651 120.400 -0.190 0.000 2.044 60 K HA -0.242 4.079 4.320 0.001 0.000 0.210 60 K C 2.234 178.796 176.600 -0.063 0.000 1.049 60 K CA 2.170 58.408 56.287 -0.083 0.000 0.927 60 K CB -0.288 32.181 32.500 -0.053 0.000 0.713 60 K HN 0.337 nan 8.250 nan 0.000 0.443 61 R N 0.612 121.060 120.500 -0.088 0.000 2.120 61 R HA -0.046 4.294 4.340 0.001 0.000 0.234 61 R C 2.006 178.262 176.300 -0.072 0.000 1.123 61 R CA 0.944 57.005 56.100 -0.065 0.000 0.975 61 R CB -0.125 30.131 30.300 -0.074 0.000 0.866 61 R HN 0.150 nan 8.270 nan 0.000 0.446 62 L N 0.182 121.347 121.223 -0.096 0.000 2.591 62 L HA 0.072 4.412 4.340 0.001 0.000 0.228 62 L C 0.152 176.966 176.870 -0.094 0.000 1.133 62 L CA 0.098 54.892 54.840 -0.078 0.000 0.880 62 L CB 0.151 42.174 42.059 -0.060 0.000 1.033 62 L HN 0.004 nan 8.230 nan 0.000 0.450 63 T N 0.457 114.931 114.554 -0.132 0.000 2.817 63 T HA 0.315 4.665 4.350 0.001 0.000 0.293 63 T C 0.041 174.522 174.700 -0.366 0.000 0.964 63 T CA -0.137 61.836 62.100 -0.212 0.000 1.085 63 T CB 2.227 70.979 68.868 -0.193 0.000 0.921 63 T HN -0.236 nan 8.240 nan 0.000 0.502 64 V N 4.994 124.722 119.914 -0.310 0.000 2.481 64 V HA 0.296 4.417 4.120 0.001 0.000 0.286 64 V C -0.215 175.660 176.094 -0.364 0.000 1.042 64 V CA -0.777 61.368 62.300 -0.257 0.000 0.928 64 V CB 1.085 32.866 31.823 -0.071 0.000 0.986 64 V HN 0.823 nan 8.190 nan 0.000 0.462 65 H N 2.586 121.685 119.070 0.048 0.000 2.511 65 H HA 0.380 4.936 4.556 0.001 0.000 0.328 65 H C 0.351 175.710 175.328 0.051 0.000 1.044 65 H CA -0.412 55.665 56.048 0.048 0.000 1.212 65 H CB 1.721 31.504 29.762 0.035 0.000 1.428 65 H HN 0.775 nan 8.280 nan 0.000 0.483 66 T N -1.336 113.310 114.554 0.153 0.000 2.754 66 T HA 0.121 4.471 4.350 0.001 0.000 0.286 66 T C 1.750 176.508 174.700 0.097 0.000 0.997 66 T CA -0.660 61.507 62.100 0.110 0.000 0.982 66 T CB 0.695 69.618 68.868 0.092 0.000 1.027 66 T HN 0.205 nan 8.240 nan 0.000 0.529 67 V N 1.872 121.829 119.914 0.071 0.000 2.287 67 V HA -0.150 3.971 4.120 0.001 0.000 0.248 67 V C 1.940 178.055 176.094 0.035 0.000 1.053 67 V CA 2.422 64.751 62.300 0.049 0.000 1.027 67 V CB -1.051 30.794 31.823 0.037 0.000 0.646 67 V HN 1.056 nan 8.190 nan 0.000 0.447 68 D N -0.129 120.286 120.400 0.026 0.000 2.413 68 D HA 0.288 4.929 4.640 0.001 0.000 0.237 68 D C 1.291 177.609 176.300 0.030 0.000 1.171 68 D CA 0.578 54.584 54.000 0.011 0.000 0.839 68 D CB -0.442 40.346 40.800 -0.020 0.000 0.950 68 D HN 0.428 nan 8.370 nan 0.000 0.499 69 G N 0.470 109.301 108.800 0.053 0.000 2.198 69 G HA2 -0.252 3.708 3.960 0.001 0.000 0.260 69 G HA3 -0.252 3.708 3.960 0.001 0.000 0.260 69 G C -0.038 174.922 174.900 0.101 0.000 1.025 69 G CA -0.182 44.961 45.100 0.071 0.000 0.769 69 G HN 0.399 nan 8.290 nan 0.000 0.507 70 I N 0.870 121.504 120.570 0.106 0.000 2.371 70 I HA 0.271 4.441 4.170 0.001 0.000 0.290 70 I C -0.162 176.046 176.117 0.152 0.000 1.028 70 I CA -0.742 60.625 61.300 0.113 0.000 1.345 70 I CB 1.038 39.091 38.000 0.089 0.000 1.407 70 I HN -0.041 nan 8.210 nan 0.000 0.501 71 D N 7.238 127.736 120.400 0.163 0.000 2.249 71 D HA 0.447 5.087 4.640 0.001 0.000 0.246 71 D C 0.047 176.425 176.300 0.129 0.000 1.114 71 D CA 0.020 54.112 54.000 0.154 0.000 0.854 71 D CB 1.559 42.468 40.800 0.183 0.000 1.132 71 D HN 0.261 nan 8.370 nan 0.000 0.461 72 I N 2.914 123.532 120.570 0.080 0.000 2.382 72 I HA 0.199 4.370 4.170 0.001 0.000 0.286 72 I C 0.418 176.576 176.117 0.068 0.000 1.002 72 I CA -1.130 60.274 61.300 0.173 0.000 1.135 72 I CB 1.472 39.586 38.000 0.191 0.000 1.288 72 I HN 0.090 nan 8.210 nan 0.000 0.448 73 V N 4.810 124.754 119.914 0.050 0.000 3.036 73 V HA 0.462 4.582 4.120 0.001 0.000 0.308 73 V C -1.674 174.319 176.094 -0.167 0.000 1.070 73 V CA -1.091 61.127 62.300 -0.136 0.000 1.056 73 V CB 0.699 32.381 31.823 -0.235 0.000 1.084 73 V HN 0.567 nan 8.190 nan 0.000 0.471 74 P HA 0.075 nan 4.420 nan 0.000 0.222 74 P C 0.209 177.448 177.300 -0.101 0.000 1.153 74 P CA 1.039 64.104 63.100 -0.057 0.000 0.798 74 P CB 0.388 32.130 31.700 0.071 0.000 0.796 75 M N -0.565 118.907 119.600 -0.214 0.000 2.327 75 M HA 0.405 4.885 4.480 0.001 0.000 0.298 75 M C -1.724 174.281 176.300 -0.492 0.000 1.065 75 M CA -0.957 54.167 55.300 -0.294 0.000 0.916 75 M CB 2.114 34.452 32.600 -0.437 0.000 1.630 75 M HN -0.301 nan 8.290 nan 0.000 0.442 76 Y N 2.677 122.925 120.300 -0.087 0.000 2.429 76 Y HA 0.631 5.181 4.550 0.001 0.000 0.342 76 Y C -0.198 175.677 175.900 -0.042 0.000 1.004 76 Y CA -0.605 57.489 58.100 -0.009 0.000 1.075 76 Y CB 1.828 40.351 38.460 0.105 0.000 1.214 76 Y HN 0.594 nan 8.280 nan 0.000 0.455 77 R N 2.385 122.852 120.500 -0.055 0.000 2.902 77 R HA 0.383 4.724 4.340 0.001 0.000 0.258 77 R C -1.875 173.984 176.300 -0.734 0.000 1.071 77 R CA -2.077 53.816 56.100 -0.345 0.000 1.024 77 R CB 1.168 31.320 30.300 -0.247 0.000 1.184 77 R HN 0.306 nan 8.270 nan 0.000 0.492 78 P HA -0.268 nan 4.420 nan 0.000 0.217 78 P C 0.340 177.393 177.300 -0.413 0.000 1.151 78 P CA 1.726 64.252 63.100 -0.956 0.000 0.849 78 P CB 0.066 31.463 31.700 -0.504 0.000 0.787 79 K N -0.832 119.422 120.400 -0.244 0.000 2.360 79 K HA -0.127 4.194 4.320 0.001 0.000 0.201 79 K C 0.979 177.543 176.600 -0.061 0.000 1.046 79 K CA 1.451 57.667 56.287 -0.117 0.000 0.945 79 K CB -0.670 31.776 32.500 -0.090 0.000 0.750 79 K HN 0.084 nan 8.250 nan 0.000 0.464 80 D N 1.085 121.461 120.400 -0.040 0.000 2.347 80 D HA 0.057 4.697 4.640 0.001 0.000 0.213 80 D C 0.281 176.620 176.300 0.064 0.000 0.985 80 D CA 0.585 54.619 54.000 0.057 0.000 0.879 80 D CB 0.370 41.282 40.800 0.187 0.000 0.919 80 D HN 0.412 nan 8.370 nan 0.000 0.526 81 A N 1.565 124.422 122.820 0.061 0.000 2.340 81 A HA 0.577 4.898 4.320 0.001 0.000 0.331 81 A C -2.447 175.160 177.584 0.038 0.000 1.140 81 A CA -1.339 50.752 52.037 0.090 0.000 0.801 81 A CB 1.186 20.316 19.000 0.217 0.000 1.234 81 A HN -0.170 nan 8.150 nan 0.000 0.469 82 P HA 0.219 nan 4.420 nan 0.000 0.271 82 P C 0.052 177.355 177.300 0.005 0.000 1.218 82 P CA -0.187 62.915 63.100 0.003 0.000 0.780 82 P CB 0.944 32.637 31.700 -0.011 0.000 0.901 83 K N 1.251 121.650 120.400 -0.001 0.000 2.026 83 K HA -0.044 4.276 4.320 0.001 0.000 0.208 83 K C 0.713 177.308 176.600 -0.009 0.000 1.048 83 K CA 1.569 57.855 56.287 -0.001 0.000 0.929 83 K CB -0.147 32.352 32.500 -0.002 0.000 0.713 83 K HN 0.417 nan 8.250 nan 0.000 0.439 84 K N 1.205 121.595 120.400 -0.017 0.000 2.234 84 K HA 0.178 4.498 4.320 0.001 0.000 0.277 84 K C 0.587 177.147 176.600 -0.067 0.000 1.038 84 K CA -0.142 56.125 56.287 -0.034 0.000 0.888 84 K CB 1.127 33.618 32.500 -0.014 0.000 1.091 84 K HN 0.004 nan 8.250 nan 0.000 0.467 85 L N 1.808 122.961 121.223 -0.116 0.000 2.240 85 L HA 0.005 4.346 4.340 0.001 0.000 0.211 85 L C 1.055 177.801 176.870 -0.208 0.000 1.106 85 L CA 0.573 55.325 54.840 -0.147 0.000 0.793 85 L CB -0.573 41.393 42.059 -0.155 0.000 0.927 85 L HN 1.012 nan 8.230 nan 0.000 0.446 86 G N -0.909 107.709 108.800 -0.304 0.000 2.707 86 G HA2 -0.210 3.751 3.960 0.001 0.000 0.686 86 G HA3 -0.210 3.751 3.960 0.001 0.000 0.686 86 G C -1.275 173.321 174.900 -0.507 0.000 1.315 86 G CA -0.817 44.128 45.100 -0.259 0.000 0.832 86 G HN 0.020 nan 8.290 nan 0.000 0.573 87 Y N -0.168 120.088 120.300 -0.073 0.000 2.512 87 Y HA 0.635 5.185 4.550 0.001 0.000 0.348 87 Y C -1.871 173.963 175.900 -0.110 0.000 0.990 87 Y CA -1.897 56.157 58.100 -0.076 0.000 1.033 87 Y CB 2.498 40.913 38.460 -0.075 0.000 1.259 87 Y HN 0.540 nan 8.280 nan 0.000 0.461 88 P HA 0.192 nan 4.420 nan 0.000 0.275 88 P C 0.695 177.989 177.300 -0.010 0.000 1.228 88 P CA 0.614 63.730 63.100 0.026 0.000 0.786 88 P CB 1.054 32.788 31.700 0.057 0.000 0.927 89 G N 0.477 109.253 108.800 -0.040 0.000 2.184 89 G HA2 -0.170 3.790 3.960 0.001 0.000 0.264 89 G HA3 -0.170 3.790 3.960 0.001 0.000 0.264 89 G C -0.173 174.516 174.900 -0.353 0.000 0.975 89 G CA 0.174 45.252 45.100 -0.036 0.000 0.642 89 G HN 0.582 nan 8.290 nan 0.000 0.536 90 V N 0.006 119.495 119.914 -0.709 0.000 2.841 90 V HA 0.831 4.951 4.120 0.001 0.000 0.310 90 V C 0.698 176.227 176.094 -0.942 0.000 1.090 90 V CA -0.752 61.149 62.300 -0.665 0.000 0.930 90 V CB 1.743 33.425 31.823 -0.235 0.000 1.014 90 V HN 1.356 nan 8.190 nan 0.000 0.425 91 A N 4.919 127.373 122.820 -0.610 0.000 2.561 91 A HA 0.389 4.710 4.320 0.001 0.000 0.234 91 A C -0.869 176.656 177.584 -0.098 0.000 1.055 91 A CA -0.323 51.621 52.037 -0.156 0.000 0.756 91 A CB -0.172 18.870 19.000 0.069 0.000 0.986 91 A HN 0.790 nan 8.150 nan 0.000 0.505 92 P HA 0.116 nan 4.420 nan 0.000 0.245 92 P C 0.118 177.574 177.300 0.260 0.000 1.212 92 P CA 0.233 63.400 63.100 0.112 0.000 0.774 92 P CB -0.232 31.507 31.700 0.066 0.000 0.999 93 F N -2.416 117.567 119.950 0.055 0.000 2.656 93 F HA -0.283 4.244 4.527 0.001 0.000 0.381 93 F C 1.755 177.578 175.800 0.039 0.000 0.603 93 F CA 1.315 59.354 58.000 0.065 0.000 1.335 93 F CB -2.802 36.258 39.000 0.101 0.000 1.836 93 F HN -0.088 nan 8.300 nan 0.000 0.290 94 T N -0.201 114.438 114.554 0.141 0.000 2.624 94 T HA -0.293 4.058 4.350 0.001 0.000 0.268 94 T C 1.845 176.568 174.700 0.038 0.000 1.041 94 T CA 2.009 64.147 62.100 0.065 0.000 1.159 94 T CB -0.236 68.642 68.868 0.018 0.000 0.863 94 T HN 0.428 nan 8.240 nan 0.000 0.434 95 R N 1.239 121.749 120.500 0.017 0.000 2.189 95 R HA 0.219 4.560 4.340 0.001 0.000 0.223 95 R C 1.188 177.507 176.300 0.031 0.000 1.092 95 R CA 0.706 56.806 56.100 -0.001 0.000 0.989 95 R CB -0.124 30.158 30.300 -0.031 0.000 0.876 95 R HN 0.514 nan 8.270 nan 0.000 0.457 96 G N -1.716 107.138 108.800 0.090 0.000 2.352 96 G HA2 -0.011 3.950 3.960 0.001 0.000 0.305 96 G HA3 -0.011 3.950 3.960 0.001 0.000 0.305 96 G C -0.155 174.889 174.900 0.240 0.000 1.537 96 G CA -0.665 44.507 45.100 0.120 0.000 0.959 96 G HN -0.108 nan 8.290 nan 0.000 0.668 97 T N 0.077 114.783 114.554 0.253 0.000 2.980 97 T HA 0.202 4.553 4.350 0.001 0.000 0.239 97 T C 1.261 176.115 174.700 0.258 0.000 1.011 97 T CA 1.584 63.900 62.100 0.361 0.000 1.171 97 T CB -0.089 68.918 68.868 0.231 0.000 0.873 97 T HN 0.637 nan 8.240 nan 0.000 0.431 98 T N 3.406 118.062 114.554 0.170 0.000 2.728 98 T HA 0.458 4.809 4.350 0.001 0.000 0.296 98 T C -0.148 174.616 174.700 0.108 0.000 0.940 98 T CA -0.364 61.815 62.100 0.132 0.000 1.013 98 T CB 1.257 70.192 68.868 0.111 0.000 0.912 98 T HN -0.051 nan 8.240 nan 0.000 0.484 99 V N 5.532 125.503 119.914 0.095 0.000 2.521 99 V HA 0.145 4.265 4.120 0.001 0.000 0.286 99 V C 0.894 177.028 176.094 0.066 0.000 1.034 99 V CA -0.181 62.164 62.300 0.075 0.000 1.045 99 V CB -0.012 31.849 31.823 0.063 0.000 0.974 99 V HN 0.719 nan 8.190 nan 0.000 0.480 100 R N 3.892 124.430 120.500 0.063 0.000 2.410 100 R HA 0.220 4.561 4.340 0.001 0.000 0.288 100 R C 1.002 177.327 176.300 0.043 0.000 1.051 100 R CA -0.390 55.744 56.100 0.057 0.000 1.021 100 R CB 0.453 30.793 30.300 0.066 0.000 1.032 100 R HN 0.839 nan 8.270 nan 0.000 0.481 101 N N 1.582 120.301 118.700 0.032 0.000 2.398 101 N HA 0.019 4.760 4.740 0.001 0.000 0.188 101 N C 0.870 176.391 175.510 0.018 0.000 1.122 101 N CA 0.667 53.731 53.050 0.024 0.000 0.866 101 N CB 0.690 39.188 38.487 0.018 0.000 0.970 101 N HN 0.843 nan 8.380 nan 0.000 0.462 102 G N -0.796 108.015 108.800 0.019 0.000 2.176 102 G HA2 -0.216 3.745 3.960 0.001 0.000 0.232 102 G HA3 -0.216 3.745 3.960 0.001 0.000 0.232 102 G C -0.636 174.266 174.900 0.003 0.000 0.986 102 G CA 0.072 45.180 45.100 0.015 0.000 0.643 102 G HN 0.450 nan 8.290 nan 0.000 0.522 103 D N 0.484 120.879 120.400 -0.008 0.000 2.313 103 D HA 0.419 5.060 4.640 0.001 0.000 0.247 103 D C 2.123 178.395 176.300 -0.048 0.000 1.094 103 D CA 0.141 54.127 54.000 -0.024 0.000 0.925 103 D CB 0.855 41.640 40.800 -0.025 0.000 1.188 103 D HN 0.363 nan 8.370 nan 0.000 0.430 104 M N 0.151 119.714 119.600 -0.063 0.000 2.108 104 M HA -0.118 4.363 4.480 0.001 0.000 0.261 104 M C 0.014 176.195 176.300 -0.198 0.000 1.066 104 M CA 1.551 56.790 55.300 -0.102 0.000 1.107 104 M CB -0.018 32.532 32.600 -0.084 0.000 1.356 104 M HN -0.018 nan 8.290 nan 0.000 0.406 105 D N 1.963 122.244 120.400 -0.197 0.000 2.470 105 D HA 0.356 4.997 4.640 0.001 0.000 0.226 105 D C 0.796 176.945 176.300 -0.251 0.000 1.196 105 D CA 0.279 54.103 54.000 -0.293 0.000 0.979 105 D CB 1.281 41.958 40.800 -0.205 0.000 1.059 105 D HN 0.452 nan 8.370 nan 0.000 0.515 106 A N 2.866 125.495 122.820 -0.318 0.000 1.924 106 A HA 0.134 4.455 4.320 0.001 0.000 0.211 106 A C 0.582 178.189 177.584 0.038 0.000 1.198 106 A CA 0.188 52.169 52.037 -0.093 0.000 0.657 106 A CB -0.024 19.016 19.000 0.068 0.000 0.852 106 A HN 0.572 nan 8.150 nan 0.000 0.454 107 W N -0.980 120.313 121.300 -0.011 0.000 2.703 107 W HA 0.668 5.329 4.660 0.001 0.000 0.359 107 W C -0.915 175.601 176.519 -0.005 0.000 1.168 107 W CA -1.010 56.328 57.345 -0.012 0.000 1.177 107 W CB 0.223 29.668 29.460 -0.025 0.000 1.434 107 W HN -0.005 nan 8.180 nan 0.000 0.618 108 D N 0.755 121.304 120.400 0.248 0.000 2.280 108 D HA 0.224 4.864 4.640 0.001 0.000 0.243 108 D C -0.902 175.525 176.300 0.213 0.000 1.129 108 D CA -0.564 53.511 54.000 0.125 0.000 0.848 108 D CB 1.515 42.377 40.800 0.104 0.000 1.107 108 D HN 0.286 nan 8.370 nan 0.000 0.471 109 V N 5.870 125.848 119.914 0.106 0.000 2.372 109 V HA 0.220 4.341 4.120 0.001 0.000 0.261 109 V C 0.782 176.938 176.094 0.103 0.000 1.055 109 V CA -0.372 62.015 62.300 0.144 0.000 0.930 109 V CB 0.210 32.076 31.823 0.072 0.000 1.031 109 V HN 0.444 nan 8.190 nan 0.000 0.479 110 R N 4.534 125.096 120.500 0.103 0.000 2.247 110 R HA 0.624 4.964 4.340 0.001 0.000 0.329 110 R C 0.102 176.436 176.300 0.058 0.000 1.014 110 R CA -0.353 55.791 56.100 0.073 0.000 0.907 110 R CB 0.772 31.103 30.300 0.051 0.000 1.146 110 R HN 0.778 nan 8.270 nan 0.000 0.499 111 A N 4.620 127.481 122.820 0.069 0.000 2.409 111 A HA 0.193 4.514 4.320 0.001 0.000 0.262 111 A C -0.529 177.037 177.584 -0.030 0.000 1.113 111 A CA -0.525 51.514 52.037 0.004 0.000 0.790 111 A CB 0.410 19.421 19.000 0.019 0.000 1.046 111 A HN 0.710 nan 8.150 nan 0.000 0.496 112 L N 4.331 125.495 121.223 -0.097 0.000 2.313 112 L HA 0.322 4.662 4.340 0.001 0.000 0.282 112 L C -0.464 176.307 176.870 -0.165 0.000 1.092 112 L CA 0.474 55.298 54.840 -0.026 0.000 0.831 112 L CB 0.041 42.119 42.059 0.032 0.000 1.159 112 L HN 0.665 nan 8.230 nan 0.000 0.442 113 H N 5.238 124.398 119.070 0.151 0.000 2.646 113 H HA 0.336 4.893 4.556 0.001 0.000 0.328 113 H C -0.520 174.891 175.328 0.137 0.000 0.998 113 H CA -0.277 55.856 56.048 0.142 0.000 1.225 113 H CB 1.448 31.282 29.762 0.119 0.000 1.457 113 H HN 0.723 nan 8.280 nan 0.000 0.505 114 E N 1.224 121.559 120.200 0.225 0.000 2.759 114 E HA 0.010 4.360 4.350 0.001 0.000 0.220 114 E C -0.403 176.284 176.600 0.146 0.000 0.974 114 E CA -0.176 56.320 56.400 0.159 0.000 1.148 114 E CB 1.194 30.983 29.700 0.150 0.000 1.059 114 E HN 0.374 nan 8.360 nan 0.000 0.493 115 D N 1.891 122.392 120.400 0.168 0.000 2.317 115 D HA 0.057 4.697 4.640 0.001 0.000 0.252 115 D C -1.523 174.823 176.300 0.076 0.000 1.174 115 D CA -2.319 51.742 54.000 0.101 0.000 0.866 115 D CB 1.541 42.399 40.800 0.097 0.000 1.127 115 D HN -0.132 nan 8.370 nan 0.000 0.467 116 P HA -0.128 nan 4.420 nan 0.000 0.215 116 P C 0.185 177.458 177.300 -0.044 0.000 1.157 116 P CA 0.616 63.714 63.100 -0.003 0.000 0.868 116 P CB -0.057 31.637 31.700 -0.011 0.000 0.788 117 D N 0.048 120.424 120.400 -0.040 0.000 2.570 117 D HA -0.027 4.614 4.640 0.001 0.000 0.243 117 D C 1.359 177.652 176.300 -0.011 0.000 1.171 117 D CA 0.937 54.913 54.000 -0.039 0.000 0.879 117 D CB 0.556 41.352 40.800 -0.007 0.000 1.143 117 D HN 0.224 nan 8.370 nan 0.000 0.511 118 E N 4.876 125.003 120.200 -0.121 0.000 2.152 118 E HA -0.179 4.171 4.350 0.001 0.000 0.192 118 E C 1.678 178.270 176.600 -0.013 0.000 0.983 118 E CA 0.953 57.285 56.400 -0.112 0.000 0.818 118 E CB -0.448 nan 29.700 nan 0.000 0.758 118 E HN 0.448 nan 8.360 nan 0.000 0.467 119 K N -0.766 119.642 120.400 0.013 0.000 2.031 119 K HA 0.033 4.353 4.320 0.001 0.000 0.205 119 K C 2.009 178.650 176.600 0.068 0.000 1.049 119 K CA 1.045 57.352 56.287 0.034 0.000 0.939 119 K CB -0.682 31.840 32.500 0.037 0.000 0.717 119 K HN 0.451 nan 8.250 nan 0.000 0.438 120 F N 2.501 122.440 119.950 -0.019 0.000 2.069 120 F HA -0.252 4.275 4.527 0.001 0.000 0.298 120 F C 2.274 178.079 175.800 0.007 0.000 1.113 120 F CA 1.929 59.930 58.000 0.001 0.000 1.214 120 F CB -0.496 38.508 39.000 0.008 0.000 0.978 120 F HN 0.000 nan 8.300 nan 0.000 0.474 121 T N 0.668 115.361 114.554 0.232 0.000 2.720 121 T HA -0.233 4.118 4.350 0.001 0.000 0.268 121 T C 2.134 176.786 174.700 -0.079 0.000 1.037 121 T CA 1.542 63.701 62.100 0.099 0.000 1.144 121 T CB -0.392 68.542 68.868 0.110 0.000 0.864 121 T HN 0.237 nan 8.240 nan 0.000 0.444 122 R N 1.159 121.624 120.500 -0.058 0.000 2.083 122 R HA -0.117 4.223 4.340 0.001 0.000 0.237 122 R C 2.330 178.564 176.300 -0.109 0.000 1.137 122 R CA 1.547 57.600 56.100 -0.079 0.000 0.951 122 R CB -0.102 30.175 30.300 -0.038 0.000 0.851 122 R HN 0.348 nan 8.270 nan 0.000 0.434 123 K N -0.204 120.122 120.400 -0.124 0.000 2.026 123 K HA -0.092 4.228 4.320 0.001 0.000 0.208 123 K C 2.168 178.654 176.600 -0.190 0.000 1.048 123 K CA 1.286 57.483 56.287 -0.151 0.000 0.929 123 K CB -0.179 32.215 32.500 -0.176 0.000 0.713 123 K HN 0.214 nan 8.250 nan 0.000 0.439 124 A N 1.894 124.554 122.820 -0.266 0.000 1.865 124 A HA -0.184 4.136 4.320 0.001 0.000 0.217 124 A C 2.186 179.737 177.584 -0.056 0.000 1.191 124 A CA 1.423 53.357 52.037 -0.171 0.000 0.623 124 A CB -0.722 18.227 19.000 -0.085 0.000 0.826 124 A HN 0.170 nan 8.150 nan 0.000 0.444 125 I N -0.958 119.456 120.570 -0.260 0.000 2.091 125 I HA -0.280 3.891 4.170 0.001 0.000 0.239 125 I C 2.493 178.551 176.117 -0.097 0.000 1.061 125 I CA 1.736 62.856 61.300 -0.299 0.000 1.317 125 I CB -0.349 37.431 38.000 -0.368 0.000 1.031 125 I HN 0.428 nan 8.210 nan 0.000 0.401 126 L N 0.919 122.089 121.223 -0.088 0.000 2.083 126 L HA -0.232 4.109 4.340 0.001 0.000 0.209 126 L C 2.389 179.241 176.870 -0.030 0.000 1.083 126 L CA 1.905 56.715 54.840 -0.050 0.000 0.752 126 L CB -0.607 41.421 42.059 -0.051 0.000 0.899 126 L HN 0.239 nan 8.230 nan 0.000 0.433 127 E N -0.759 119.420 120.200 -0.035 0.000 2.023 127 E HA -0.204 4.147 4.350 0.001 0.000 0.196 127 E C 2.131 178.738 176.600 0.012 0.000 1.003 127 E CA 1.557 57.947 56.400 -0.017 0.000 0.809 127 E CB -0.689 28.991 29.700 -0.033 0.000 0.755 127 E HN 0.558 nan 8.360 nan 0.000 0.449 128 G N 1.097 109.920 108.800 0.039 0.000 2.440 128 G HA2 -0.240 3.721 3.960 0.001 0.000 0.218 128 G HA3 -0.240 3.721 3.960 0.001 0.000 0.218 128 G C 1.478 176.407 174.900 0.049 0.000 1.154 128 G CA 0.771 45.912 45.100 0.068 0.000 0.767 128 G HN 0.219 nan 8.290 nan 0.000 0.552 129 L N 0.563 121.807 121.223 0.034 0.000 2.141 129 L HA 0.009 4.350 4.340 0.001 0.000 0.209 129 L C 2.619 179.495 176.870 0.011 0.000 1.094 129 L CA 1.445 56.298 54.840 0.022 0.000 0.763 129 L CB -1.043 41.022 42.059 0.010 0.000 0.908 129 L HN 0.391 nan 8.230 nan 0.000 0.437 130 E N -0.461 119.743 120.200 0.006 0.000 2.358 130 E HA -0.097 4.254 4.350 0.001 0.000 0.195 130 E C 0.908 177.511 176.600 0.006 0.000 1.010 130 E CA 0.339 56.740 56.400 0.002 0.000 0.856 130 E CB 0.171 29.870 29.700 -0.001 0.000 0.795 130 E HN 0.280 nan 8.360 nan 0.000 0.504 131 R N -0.616 119.891 120.500 0.012 0.000 3.130 131 R HA 0.208 4.549 4.340 0.001 0.000 0.348 131 R C 0.292 176.601 176.300 0.015 0.000 1.241 131 R CA 0.306 56.415 56.100 0.015 0.000 1.141 131 R CB 0.858 31.172 30.300 0.023 0.000 1.453 131 R HN 0.210 nan 8.270 nan 0.000 0.590 132 G N -0.249 108.553 108.800 0.005 0.000 2.225 132 G HA2 -0.282 3.678 3.960 0.001 0.000 0.254 132 G HA3 -0.282 3.678 3.960 0.001 0.000 0.254 132 G C 0.309 175.211 174.900 0.003 0.000 0.988 132 G CA 0.027 45.124 45.100 -0.005 0.000 0.625 132 G HN 0.246 nan 8.290 nan 0.000 0.527 133 V N 1.974 121.903 119.914 0.026 0.000 2.637 133 V HA 0.443 4.564 4.120 0.001 0.000 0.296 133 V C 1.711 177.824 176.094 0.031 0.000 1.046 133 V CA 1.356 63.682 62.300 0.043 0.000 1.066 133 V CB 1.383 33.252 31.823 0.076 0.000 0.968 133 V HN 0.732 nan 8.190 nan 0.000 0.483 134 T N -0.870 113.702 114.554 0.031 0.000 3.010 134 T HA 0.267 4.617 4.350 0.001 0.000 0.257 134 T C 0.419 175.143 174.700 0.040 0.000 1.020 134 T CA 0.387 62.500 62.100 0.022 0.000 0.938 134 T CB 0.241 69.109 68.868 -0.000 0.000 1.049 134 T HN 0.814 nan 8.240 nan 0.000 0.522 135 S N 0.381 116.115 115.700 0.057 0.000 2.588 135 S HA 0.732 5.202 4.470 0.001 0.000 0.269 135 S C -1.629 173.022 174.600 0.086 0.000 1.157 135 S CA -1.112 57.127 58.200 0.064 0.000 0.824 135 S CB 1.293 64.526 63.200 0.054 0.000 1.126 135 S HN 0.265 nan 8.310 nan 0.000 0.464 136 L N 1.169 122.448 121.223 0.094 0.000 2.342 136 L HA 0.727 5.067 4.340 0.001 0.000 0.271 136 L C -1.285 175.657 176.870 0.121 0.000 1.008 136 L CA -1.036 53.885 54.840 0.136 0.000 0.818 136 L CB 1.796 43.937 42.059 0.136 0.000 1.296 136 L HN 0.689 nan 8.230 nan 0.000 0.427 137 L N 3.352 124.672 121.223 0.161 0.000 2.454 137 L HA 0.478 4.819 4.340 0.001 0.000 0.258 137 L C -1.258 175.775 176.870 0.271 0.000 1.025 137 L CA -0.127 54.805 54.840 0.154 0.000 0.901 137 L CB 1.027 43.118 42.059 0.054 0.000 1.210 137 L HN 0.348 nan 8.230 nan 0.000 0.457 138 L N 3.798 125.173 121.223 0.253 0.000 2.292 138 L HA 0.487 4.827 4.340 0.001 0.000 0.284 138 L C 0.404 177.381 176.870 0.177 0.000 1.065 138 L CA 0.113 55.089 54.840 0.227 0.000 0.806 138 L CB 1.214 43.358 42.059 0.140 0.000 1.175 138 L HN 0.490 nan 8.230 nan 0.000 0.431 139 R N 2.611 123.144 120.500 0.055 0.000 2.202 139 R HA 0.530 4.871 4.340 0.001 0.000 0.334 139 R C -1.392 174.794 176.300 -0.190 0.000 1.036 139 R CA -0.430 55.458 56.100 -0.354 0.000 0.878 139 R CB 0.732 30.723 30.300 -0.516 0.000 1.067 139 R HN 0.430 nan 8.270 nan 0.000 0.457 140 V N 5.446 125.235 119.914 -0.208 0.000 2.328 140 V HA 0.385 4.505 4.120 0.001 0.000 0.278 140 V C -0.211 175.819 176.094 -0.106 0.000 1.021 140 V CA -0.358 61.883 62.300 -0.100 0.000 0.838 140 V CB 1.209 32.994 31.823 -0.063 0.000 0.999 140 V HN 0.833 nan 8.190 nan 0.000 0.447 141 D N 4.693 125.057 120.400 -0.060 0.000 2.713 141 D HA 0.336 4.976 4.640 0.001 0.000 0.306 141 D C -2.113 174.173 176.300 -0.024 0.000 1.299 141 D CA -0.766 53.227 54.000 -0.012 0.000 0.823 141 D CB 2.481 43.290 40.800 0.015 0.000 1.353 141 D HN 0.138 nan 8.370 nan 0.000 0.447 142 P HA -0.055 nan 4.420 nan 0.000 0.217 142 P C 0.458 177.699 177.300 -0.098 0.000 1.150 142 P CA 1.416 64.440 63.100 -0.127 0.000 0.832 142 P CB 0.140 31.668 31.700 -0.287 0.000 0.787 143 D N -1.654 118.695 120.400 -0.085 0.000 2.388 143 D HA 0.331 4.971 4.640 0.001 0.000 0.221 143 D C 0.710 177.009 176.300 -0.001 0.000 1.133 143 D CA -0.436 53.541 54.000 -0.039 0.000 0.831 143 D CB 0.163 40.939 40.800 -0.041 0.000 0.962 143 D HN 0.118 nan 8.370 nan 0.000 0.502 144 A N 0.097 122.914 122.820 -0.006 0.000 3.689 144 A HA 0.578 4.899 4.320 0.001 0.000 0.174 144 A C -0.543 177.052 177.584 0.018 0.000 0.741 144 A CA -0.676 51.365 52.037 0.008 0.000 0.952 144 A CB 0.144 19.121 19.000 -0.039 0.000 1.740 144 A HN 0.087 nan 8.150 nan 0.000 0.770 145 I N 1.456 122.039 120.570 0.021 0.000 2.441 145 I HA 0.433 4.604 4.170 0.001 0.000 0.287 145 I C 0.727 176.873 176.117 0.049 0.000 1.049 145 I CA -0.116 61.211 61.300 0.045 0.000 1.381 145 I CB 1.339 39.374 38.000 0.057 0.000 1.409 145 I HN 0.586 nan 8.210 nan 0.000 0.523 146 A N 8.563 131.442 122.820 0.099 0.000 2.388 146 A HA 0.403 4.724 4.320 0.001 0.000 0.257 146 A C -1.555 176.075 177.584 0.077 0.000 1.095 146 A CA -1.296 50.798 52.037 0.096 0.000 0.791 146 A CB -0.030 19.072 19.000 0.169 0.000 1.029 146 A HN 0.570 nan 8.150 nan 0.000 0.489 147 P HA -0.216 nan 4.420 nan 0.000 0.218 147 P C 1.150 178.442 177.300 -0.013 0.000 1.146 147 P CA 1.680 64.782 63.100 0.004 0.000 0.813 147 P CB 0.138 31.833 31.700 -0.008 0.000 0.778 148 E N -1.298 118.866 120.200 -0.060 0.000 2.285 148 E HA -0.179 4.171 4.350 0.001 0.000 0.194 148 E C 1.293 177.757 176.600 -0.227 0.000 0.997 148 E CA 0.996 57.306 56.400 -0.150 0.000 0.845 148 E CB -0.897 28.665 29.700 -0.231 0.000 0.782 148 E HN 0.390 nan 8.360 nan 0.000 0.491 149 H N 0.091 119.164 119.070 0.005 0.000 2.553 149 H HA 0.135 4.691 4.556 0.001 0.000 0.265 149 H C 1.912 177.244 175.328 0.006 0.000 0.964 149 H CA 0.103 56.155 56.048 0.007 0.000 1.156 149 H CB 0.461 30.229 29.762 0.010 0.000 1.411 149 H HN 0.138 nan 8.280 nan 0.000 0.558 150 L N 1.177 122.453 121.223 0.089 0.000 2.013 150 L HA -0.200 4.140 4.340 0.001 0.000 0.212 150 L C 2.097 178.992 176.870 0.042 0.000 1.073 150 L CA 2.007 56.882 54.840 0.059 0.000 0.753 150 L CB -0.357 41.726 42.059 0.040 0.000 0.890 150 L HN 0.142 nan 8.230 nan 0.000 0.432 151 D N -1.278 119.139 120.400 0.029 0.000 2.097 151 D HA -0.259 4.381 4.640 0.001 0.000 0.195 151 D C 2.145 178.456 176.300 0.018 0.000 0.989 151 D CA 1.417 55.425 54.000 0.013 0.000 0.827 151 D CB -0.064 40.738 40.800 0.004 0.000 0.966 151 D HN 0.457 nan 8.370 nan 0.000 0.456 152 E N -0.381 119.846 120.200 0.045 0.000 2.077 152 E HA -0.172 4.179 4.350 0.001 0.000 0.193 152 E C 2.249 178.871 176.600 0.038 0.000 0.989 152 E CA 1.610 58.045 56.400 0.058 0.000 0.800 152 E CB 0.066 29.845 29.700 0.133 0.000 0.746 152 E HN 0.376 nan 8.360 nan 0.000 0.452 153 V N -1.011 118.928 119.914 0.041 0.000 2.667 153 V HA -0.088 4.033 4.120 0.001 0.000 0.252 153 V C 1.977 178.054 176.094 -0.028 0.000 1.065 153 V CA 1.081 63.382 62.300 0.001 0.000 1.083 153 V CB -0.413 31.413 31.823 0.003 0.000 0.692 153 V HN 0.167 nan 8.190 nan 0.000 0.468 154 L N 1.171 122.385 121.223 -0.017 0.000 2.592 154 L HA 0.142 4.483 4.340 0.001 0.000 0.227 154 L C 2.651 179.497 176.870 -0.041 0.000 1.127 154 L CA 0.803 55.625 54.840 -0.030 0.000 0.884 154 L CB -0.162 41.886 42.059 -0.018 0.000 1.065 154 L HN 0.482 nan 8.230 nan 0.000 0.457 155 S N 0.717 116.398 115.700 -0.032 0.000 2.372 155 S HA -0.252 4.219 4.470 0.001 0.000 0.227 155 S C 1.456 176.033 174.600 -0.037 0.000 1.044 155 S CA 2.000 60.181 58.200 -0.031 0.000 1.050 155 S CB -0.095 63.095 63.200 -0.017 0.000 0.901 155 S HN 0.487 nan 8.310 nan 0.000 0.447 156 D N 0.623 121.000 120.400 -0.038 0.000 2.349 156 D HA 0.121 4.762 4.640 0.001 0.000 0.215 156 D C 0.086 176.363 176.300 -0.039 0.000 1.016 156 D CA 0.167 54.145 54.000 -0.037 0.000 0.870 156 D CB 0.122 40.901 40.800 -0.036 0.000 0.917 156 D HN 0.285 nan 8.370 nan 0.000 0.524 157 V N 2.853 122.740 119.914 -0.046 0.000 2.425 157 V HA -0.028 4.093 4.120 0.001 0.000 0.276 157 V C 0.840 176.904 176.094 -0.051 0.000 1.017 157 V CA -0.037 62.238 62.300 -0.042 0.000 1.062 157 V CB 0.307 32.106 31.823 -0.040 0.000 0.997 157 V HN 0.053 nan 8.190 nan 0.000 0.476 158 L N 6.518 127.719 121.223 -0.036 0.000 2.485 158 L HA 0.156 4.497 4.340 0.001 0.000 0.279 158 L C 1.338 178.183 176.870 -0.042 0.000 1.124 158 L CA -0.145 54.672 54.840 -0.038 0.000 0.888 158 L CB 0.290 42.337 42.059 -0.020 0.000 1.217 158 L HN 0.663 nan 8.230 nan 0.000 0.464 159 L N 2.681 123.851 121.223 -0.088 0.000 2.265 159 L HA -0.168 4.172 4.340 0.001 0.000 0.215 159 L C 2.512 179.375 176.870 -0.010 0.000 1.117 159 L CA 0.797 55.568 54.840 -0.115 0.000 0.782 159 L CB -0.434 41.403 42.059 -0.370 0.000 0.914 159 L HN 0.749 nan 8.230 nan 0.000 0.441 160 E N 0.537 120.740 120.200 0.005 0.000 2.216 160 E HA -0.162 4.189 4.350 0.001 0.000 0.192 160 E C 1.929 178.554 176.600 0.042 0.000 0.988 160 E CA 1.013 57.437 56.400 0.040 0.000 0.834 160 E CB -0.115 29.602 29.700 0.028 0.000 0.772 160 E HN 0.562 nan 8.360 nan 0.000 0.479 161 M N 0.612 120.229 119.600 0.027 0.000 2.534 161 M HA 0.125 4.606 4.480 0.001 0.000 0.263 161 M C 0.200 176.519 176.300 0.033 0.000 1.152 161 M CA 0.645 55.961 55.300 0.025 0.000 1.145 161 M CB 0.576 33.183 32.600 0.013 0.000 1.333 161 M HN -0.166 nan 8.290 nan 0.000 0.477 162 T N 1.933 116.511 114.554 0.039 0.000 2.812 162 T HA 0.298 4.649 4.350 0.001 0.000 0.282 162 T C -0.497 174.256 174.700 0.087 0.000 0.990 162 T CA -0.786 61.345 62.100 0.051 0.000 0.960 162 T CB 2.395 71.286 68.868 0.038 0.000 0.948 162 T HN 0.108 nan 8.240 nan 0.000 0.438 163 K N 2.823 123.270 120.400 0.079 0.000 2.298 163 K HA 0.502 4.822 4.320 0.001 0.000 0.280 163 K C -0.978 175.673 176.600 0.084 0.000 1.032 163 K CA -0.420 55.917 56.287 0.083 0.000 0.958 163 K CB 0.521 33.047 32.500 0.043 0.000 0.978 163 K HN 0.328 nan 8.250 nan 0.000 0.472 164 V N 3.761 123.733 119.914 0.096 0.000 2.604 164 V HA 0.323 4.444 4.120 0.001 0.000 0.305 164 V C -0.717 175.380 176.094 0.005 0.000 1.043 164 V CA -0.716 61.636 62.300 0.087 0.000 0.888 164 V CB 1.508 33.434 31.823 0.171 0.000 0.995 164 V HN 0.951 nan 8.190 nan 0.000 0.429 165 E N 3.244 123.457 120.200 0.021 0.000 2.266 165 E HA 0.756 5.107 4.350 0.001 0.000 0.268 165 E C -1.360 175.273 176.600 0.055 0.000 0.879 165 E CA -0.618 55.778 56.400 -0.007 0.000 0.762 165 E CB 2.385 32.072 29.700 -0.022 0.000 1.199 165 E HN 0.591 nan 8.360 nan 0.000 0.422 166 V N 0.832 120.767 119.914 0.036 0.000 2.960 166 V HA 0.875 4.996 4.120 0.001 0.000 0.315 166 V C -0.808 175.388 176.094 0.170 0.000 1.087 166 V CA -0.821 61.533 62.300 0.089 0.000 0.982 166 V CB 1.257 33.076 31.823 -0.006 0.000 1.039 166 V HN 0.680 nan 8.190 nan 0.000 0.437 167 F N -0.251 119.657 119.950 -0.071 0.000 2.665 167 F HA 0.896 5.423 4.527 0.001 0.000 0.308 167 F C -0.812 174.954 175.800 -0.057 0.000 1.112 167 F CA -0.906 57.047 58.000 -0.078 0.000 0.972 167 F CB 1.200 40.165 39.000 -0.059 0.000 1.295 167 F HN 0.825 nan 8.300 nan 0.000 0.440 168 S N 1.742 117.352 115.700 -0.149 0.000 2.546 168 S HA 0.590 5.060 4.470 0.001 0.000 0.274 168 S C -0.089 174.444 174.600 -0.112 0.000 1.121 168 S CA -0.776 57.286 58.200 -0.229 0.000 0.887 168 S CB 1.957 65.072 63.200 -0.142 0.000 1.094 168 S HN 0.880 nan 8.310 nan 0.000 0.474 169 R N 1.468 121.856 120.500 -0.187 0.000 2.237 169 R HA 0.203 4.544 4.340 0.001 0.000 0.195 169 R C 0.310 176.431 176.300 -0.298 0.000 0.956 169 R CA 0.652 56.565 56.100 -0.311 0.000 1.029 169 R CB 0.157 30.075 30.300 -0.637 0.000 0.972 169 R HN 0.699 nan 8.270 nan 0.000 0.493 170 Y N -0.933 119.411 120.300 0.072 0.000 2.500 170 Y HA 0.287 4.837 4.550 0.001 0.000 0.246 170 Y C -0.197 175.808 175.900 0.175 0.000 1.146 170 Y CA -0.475 57.725 58.100 0.166 0.000 1.230 170 Y CB 1.068 39.529 38.460 0.001 0.000 1.214 170 Y HN -0.174 nan 8.280 nan 0.000 0.526 171 D N -0.181 120.297 120.400 0.130 0.000 2.684 171 D HA 0.067 4.707 4.640 0.001 0.000 0.233 171 D C 0.196 176.400 176.300 -0.161 0.000 1.374 171 D CA 0.078 54.044 54.000 -0.056 0.000 0.906 171 D CB 0.249 41.053 40.800 0.006 0.000 1.526 171 D HN 0.166 nan 8.370 nan 0.000 0.518 172 Q N 0.454 120.062 119.800 -0.320 0.000 2.119 172 Q HA 0.008 4.349 4.340 0.001 0.000 0.201 172 Q C 1.880 177.689 176.000 -0.318 0.000 0.972 172 Q CA 1.337 56.947 55.803 -0.321 0.000 0.847 172 Q CB 0.315 28.813 28.738 -0.400 0.000 0.903 172 Q HN 0.460 nan 8.270 nan 0.000 0.433 173 G N 1.104 109.775 108.800 -0.216 0.000 2.402 173 G HA2 -0.183 3.777 3.960 0.001 0.000 0.216 173 G HA3 -0.183 3.777 3.960 0.001 0.000 0.216 173 G C 1.554 176.460 174.900 0.009 0.000 1.162 173 G CA 0.839 45.931 45.100 -0.014 0.000 0.777 173 G HN 0.401 nan 8.290 nan 0.000 0.539 174 A N 1.342 124.147 122.820 -0.024 0.000 1.865 174 A HA 0.199 4.519 4.320 0.001 0.000 0.217 174 A C 2.844 180.405 177.584 -0.038 0.000 1.191 174 A CA 2.552 54.585 52.037 -0.006 0.000 0.623 174 A CB -0.972 18.020 19.000 -0.013 0.000 0.826 174 A HN 0.814 nan 8.150 nan 0.000 0.444 175 A N -0.283 122.481 122.820 -0.092 0.000 1.877 175 A HA 0.154 4.474 4.320 0.001 0.000 0.216 175 A C 2.547 180.036 177.584 -0.158 0.000 1.186 175 A CA 2.307 54.280 52.037 -0.108 0.000 0.620 175 A CB -1.140 17.784 19.000 -0.126 0.000 0.822 175 A HN 1.110 nan 8.150 nan 0.000 0.443 176 A N -0.346 122.291 122.820 -0.306 0.000 1.865 176 A HA -0.185 4.136 4.320 0.001 0.000 0.217 176 A C 1.979 179.443 177.584 -0.200 0.000 1.191 176 A CA 2.258 54.002 52.037 -0.488 0.000 0.623 176 A CB -0.616 17.663 19.000 -1.202 0.000 0.826 176 A HN 0.538 nan 8.150 nan 0.000 0.444 177 E N 0.191 120.425 120.200 0.057 0.000 2.049 177 E HA -0.146 4.204 4.350 0.001 0.000 0.198 177 E C 2.080 178.753 176.600 0.121 0.000 1.007 177 E CA 1.912 58.468 56.400 0.260 0.000 0.809 177 E CB -0.557 29.300 29.700 0.261 0.000 0.749 177 E HN 0.482 nan 8.360 nan 0.000 0.450 178 A N 0.243 123.096 122.820 0.054 0.000 1.883 178 A HA -0.182 4.139 4.320 0.001 0.000 0.217 178 A C 2.259 179.871 177.584 0.046 0.000 1.186 178 A CA 1.727 53.787 52.037 0.039 0.000 0.624 178 A CB -0.902 18.107 19.000 0.014 0.000 0.822 178 A HN 0.384 nan 8.150 nan 0.000 0.444 179 L N 0.442 121.676 121.223 0.018 0.000 2.056 179 L HA -0.121 4.220 4.340 0.001 0.000 0.207 179 L C 2.577 179.485 176.870 0.063 0.000 1.078 179 L CA 2.325 57.187 54.840 0.036 0.000 0.749 179 L CB -0.483 41.547 42.059 -0.047 0.000 0.901 179 L HN 0.362 nan 8.230 nan 0.000 0.433 180 V N -3.982 115.952 119.914 0.035 0.000 2.358 180 V HA -0.182 3.939 4.120 0.001 0.000 0.246 180 V C 2.363 178.562 176.094 0.175 0.000 1.047 180 V CA 1.708 64.053 62.300 0.076 0.000 1.035 180 V CB -1.444 30.501 31.823 0.203 0.000 0.658 180 V HN 0.428 nan 8.190 nan 0.000 0.452 181 S N 1.108 116.898 115.700 0.151 0.000 2.365 181 S HA -0.217 4.254 4.470 0.001 0.000 0.221 181 S C 2.056 176.730 174.600 0.123 0.000 1.037 181 S CA 1.974 60.251 58.200 0.129 0.000 1.060 181 S CB -0.802 62.450 63.200 0.088 0.000 0.974 181 S HN 0.483 nan 8.310 nan 0.000 0.427 182 V N 0.693 120.668 119.914 0.101 0.000 2.250 182 V HA -0.280 3.840 4.120 0.001 0.000 0.250 182 V C 2.053 178.161 176.094 0.024 0.000 1.060 182 V CA 2.095 64.425 62.300 0.051 0.000 1.030 182 V CB -1.000 30.847 31.823 0.041 0.000 0.643 182 V HN 0.426 nan 8.190 nan 0.000 0.445 183 Y N 0.517 120.795 120.300 -0.037 0.000 2.097 183 Y HA -0.262 4.288 4.550 0.001 0.000 0.282 183 Y C 2.639 178.650 175.900 0.185 0.000 1.152 183 Y CA 2.197 60.266 58.100 -0.052 0.000 1.136 183 Y CB -0.476 37.698 38.460 -0.476 0.000 0.975 183 Y HN 0.301 nan 8.280 nan 0.000 0.498 184 E N -0.451 120.006 120.200 0.429 0.000 2.118 184 E HA -0.221 4.130 4.350 0.001 0.000 0.195 184 E C 1.986 178.698 176.600 0.185 0.000 0.992 184 E CA 0.866 57.490 56.400 0.373 0.000 0.804 184 E CB -0.141 29.744 29.700 0.309 0.000 0.741 184 E HN 0.258 nan 8.360 nan 0.000 0.458 185 R N 0.711 121.284 120.500 0.122 0.000 2.319 185 R HA 0.049 4.390 4.340 0.001 0.000 0.204 185 R C 0.148 176.467 176.300 0.032 0.000 0.954 185 R CA -0.044 56.093 56.100 0.063 0.000 1.066 185 R CB 0.240 30.568 30.300 0.046 0.000 0.991 185 R HN -0.063 nan 8.270 nan 0.000 0.486 186 S N 0.517 116.235 115.700 0.031 0.000 2.525 186 S HA 0.099 4.569 4.470 0.001 0.000 0.290 186 S C -0.615 173.998 174.600 0.022 0.000 1.152 186 S CA -0.945 57.253 58.200 -0.003 0.000 1.072 186 S CB 1.489 64.655 63.200 -0.056 0.000 1.027 186 S HN 0.305 nan 8.310 nan 0.000 0.500 187 D N 1.228 121.633 120.400 0.008 0.000 2.638 187 D HA 0.535 5.175 4.640 0.001 0.000 0.245 187 D C -0.229 176.079 176.300 0.014 0.000 1.176 187 D CA -0.497 53.511 54.000 0.014 0.000 0.996 187 D CB 0.247 41.052 40.800 0.008 0.000 1.012 187 D HN 0.606 nan 8.370 nan 0.000 0.515 188 K N 1.349 121.765 120.400 0.027 0.000 2.525 188 K HA 0.568 4.889 4.320 0.001 0.000 0.254 188 K C -3.192 173.444 176.600 0.060 0.000 0.934 188 K CA -1.879 54.428 56.287 0.034 0.000 0.802 188 K CB 0.418 nan 32.500 nan 0.000 1.295 188 K HN 0.073 nan 8.250 nan 0.000 0.433 189 P HA 0.126 nan 4.420 nan 0.000 0.258 189 P C 1.100 178.455 177.300 0.091 0.000 1.187 189 P CA 0.643 63.775 63.100 0.053 0.000 0.767 189 P CB 0.892 32.616 31.700 0.040 0.000 0.770 190 A N 4.971 127.839 122.820 0.080 0.000 1.909 190 A HA -0.316 4.005 4.320 0.001 0.000 0.221 190 A C 2.047 179.735 177.584 0.173 0.000 1.223 190 A CA 2.247 54.349 52.037 0.108 0.000 0.658 190 A CB -1.054 17.838 19.000 -0.181 0.000 0.831 190 A HN 0.446 nan 8.150 nan 0.000 0.462 191 K N -0.313 120.141 120.400 0.090 0.000 2.442 191 K HA -0.096 4.225 4.320 0.001 0.000 0.198 191 K C 0.912 177.587 176.600 0.124 0.000 1.044 191 K CA 1.354 57.702 56.287 0.101 0.000 0.948 191 K CB -0.085 32.446 32.500 0.052 0.000 0.762 191 K HN 0.620 nan 8.250 nan 0.000 0.472 192 D N -0.466 120.013 120.400 0.131 0.000 2.367 192 D HA 0.026 4.667 4.640 0.001 0.000 0.207 192 D C -0.090 176.299 176.300 0.149 0.000 1.034 192 D CA 0.279 54.348 54.000 0.115 0.000 0.861 192 D CB 0.468 41.319 40.800 0.085 0.000 0.943 192 D HN 0.161 nan 8.370 nan 0.000 0.515 193 L N 1.199 122.560 121.223 0.230 0.000 2.289 193 L HA 0.570 4.911 4.340 0.001 0.000 0.285 193 L C -0.019 177.015 176.870 0.272 0.000 1.049 193 L CA -0.748 54.273 54.840 0.301 0.000 0.804 193 L CB 1.778 44.097 42.059 0.433 0.000 1.195 193 L HN -0.214 nan 8.230 nan 0.000 0.428 194 A N 5.166 128.110 122.820 0.206 0.000 2.342 194 A HA 0.938 5.259 4.320 0.001 0.000 0.323 194 A C -0.760 176.732 177.584 -0.154 0.000 1.125 194 A CA -0.509 51.546 52.037 0.029 0.000 0.785 194 A CB 1.547 20.577 19.000 0.049 0.000 1.221 194 A HN 0.752 nan 8.150 nan 0.000 0.463 195 L N -0.395 120.609 121.223 -0.365 0.000 2.518 195 L HA 0.779 5.119 4.340 0.001 0.000 0.257 195 L C -1.622 175.052 176.870 -0.326 0.000 0.980 195 L CA -1.065 53.465 54.840 -0.516 0.000 0.837 195 L CB 2.199 43.513 42.059 -1.240 0.000 1.410 195 L HN 0.403 nan 8.230 nan 0.000 0.410 196 N N 1.800 120.354 118.700 -0.244 0.000 2.392 196 N HA 0.554 5.294 4.740 0.001 0.000 0.283 196 N C 0.467 175.852 175.510 -0.209 0.000 1.003 196 N CA -0.659 52.279 53.050 -0.187 0.000 0.892 196 N CB 2.420 40.830 38.487 -0.129 0.000 1.193 196 N HN 0.758 nan 8.380 nan 0.000 0.487 197 L N 0.781 121.862 121.223 -0.237 0.000 2.179 197 L HA 0.166 4.507 4.340 0.001 0.000 0.208 197 L C 1.288 177.995 176.870 -0.272 0.000 1.096 197 L CA 0.698 55.358 54.840 -0.300 0.000 0.779 197 L CB -0.215 41.597 42.059 -0.411 0.000 0.922 197 L HN 0.841 nan 8.230 nan 0.000 0.443 198 G N -0.173 108.497 108.800 -0.217 0.000 2.131 198 G HA2 -0.199 3.761 3.960 0.001 0.000 0.223 198 G HA3 -0.199 3.761 3.960 0.001 0.000 0.223 198 G C 0.003 174.788 174.900 -0.193 0.000 0.990 198 G CA -0.574 44.437 45.100 -0.148 0.000 0.671 198 G HN 0.026 nan 8.290 nan 0.000 0.521 199 L N 1.073 122.121 121.223 -0.292 0.000 2.455 199 L HA 0.559 4.900 4.340 0.001 0.000 0.272 199 L C 0.254 176.987 176.870 -0.228 0.000 1.174 199 L CA 0.632 55.283 54.840 -0.316 0.000 0.869 199 L CB 1.089 42.900 42.059 -0.412 0.000 1.130 199 L HN 0.325 nan 8.230 nan 0.000 0.474 200 D N 4.522 124.833 120.400 -0.148 0.000 2.826 200 D HA 0.209 4.850 4.640 0.001 0.000 0.239 200 D C -1.946 174.423 176.300 0.114 0.000 1.329 200 D CA -0.862 53.151 54.000 0.021 0.000 0.854 200 D CB 1.312 42.157 40.800 0.076 0.000 1.494 200 D HN 0.113 nan 8.370 nan 0.000 0.540 201 P HA -0.095 nan 4.420 nan 0.000 0.215 201 P C 1.860 179.321 177.300 0.268 0.000 1.157 201 P CA 0.804 63.994 63.100 0.150 0.000 0.868 201 P CB 0.599 32.347 31.700 0.080 0.000 0.788 202 I N -0.394 120.377 120.570 0.336 0.000 2.202 202 I HA -0.147 4.024 4.170 0.001 0.000 0.242 202 I C 2.707 178.938 176.117 0.191 0.000 1.091 202 I CA 1.761 63.201 61.300 0.233 0.000 1.368 202 I CB -1.442 36.660 38.000 0.169 0.000 1.058 202 I HN -0.003 nan 8.210 nan 0.000 0.410 203 G N 0.972 109.891 108.800 0.199 0.000 2.476 203 G HA2 -0.341 3.619 3.960 0.001 0.000 0.218 203 G HA3 -0.341 3.619 3.960 0.001 0.000 0.218 203 G C 1.634 176.544 174.900 0.018 0.000 1.164 203 G CA 0.832 45.981 45.100 0.082 0.000 0.768 203 G HN 0.339 nan 8.290 nan 0.000 0.560 204 F N 2.483 122.399 119.950 -0.056 0.000 2.095 204 F HA 0.037 4.564 4.527 0.001 0.000 0.298 204 F C 2.806 178.546 175.800 -0.101 0.000 1.104 204 F CA 1.438 59.375 58.000 -0.104 0.000 1.232 204 F CB -0.426 38.530 39.000 -0.074 0.000 0.987 204 F HN 0.240 nan 8.300 nan 0.000 0.475 205 A N 0.604 123.406 122.820 -0.031 0.000 1.865 205 A HA -0.108 4.212 4.320 0.001 0.000 0.217 205 A C 2.455 179.941 177.584 -0.163 0.000 1.191 205 A CA 2.112 54.097 52.037 -0.085 0.000 0.623 205 A CB -1.684 17.353 19.000 0.061 0.000 0.826 205 A HN 0.544 nan 8.150 nan 0.000 0.444 206 A N -0.475 122.285 122.820 -0.101 0.000 1.908 206 A HA -0.086 4.234 4.320 0.001 0.000 0.218 206 A C 2.125 179.579 177.584 -0.216 0.000 1.181 206 A CA 1.620 53.599 52.037 -0.096 0.000 0.627 206 A CB -0.599 18.394 19.000 -0.011 0.000 0.818 206 A HN 0.486 nan 8.150 nan 0.000 0.445 207 L N -1.241 119.774 121.223 -0.346 0.000 2.395 207 L HA -0.091 4.249 4.340 0.001 0.000 0.218 207 L C 2.362 178.911 176.870 -0.535 0.000 1.130 207 L CA 0.722 55.267 54.840 -0.492 0.000 0.826 207 L CB -0.126 41.574 42.059 -0.599 0.000 0.941 207 L HN 0.427 nan 8.230 nan 0.000 0.451 208 Q N -1.310 118.170 119.800 -0.532 0.000 2.322 208 Q HA 0.187 4.527 4.340 0.001 0.000 0.250 208 Q C 1.547 177.385 176.000 -0.270 0.000 0.853 208 Q CA 0.923 56.447 55.803 -0.465 0.000 0.951 208 Q CB 1.427 29.768 28.738 -0.661 0.000 1.114 208 Q HN 0.439 nan 8.270 nan 0.000 0.523 209 G N 1.694 110.363 108.800 -0.218 0.000 2.195 209 G HA2 -0.282 3.678 3.960 0.001 0.000 0.224 209 G HA3 -0.282 3.678 3.960 0.001 0.000 0.224 209 G C 0.625 175.473 174.900 -0.086 0.000 0.990 209 G CA 0.550 45.575 45.100 -0.126 0.000 0.639 209 G HN 0.445 nan 8.290 nan 0.000 0.514 210 T N -0.807 113.691 114.554 -0.094 0.000 2.667 210 T HA 0.529 4.879 4.350 0.001 0.000 0.305 210 T C 0.129 174.829 174.700 -0.001 0.000 1.022 210 T CA 0.297 62.379 62.100 -0.030 0.000 0.995 210 T CB 1.211 70.083 68.868 0.007 0.000 1.026 210 T HN 0.376 nan 8.240 nan 0.000 0.527 211 E N 1.741 121.961 120.200 0.033 0.000 2.197 211 E HA 0.313 4.664 4.350 0.001 0.000 0.281 211 E C -2.503 174.145 176.600 0.080 0.000 0.995 211 E CA -2.295 54.132 56.400 0.044 0.000 0.808 211 E CB 0.839 30.561 29.700 0.036 0.000 1.093 211 E HN 0.499 nan 8.360 nan 0.000 0.394 212 P HA -0.050 nan 4.420 nan 0.000 0.261 212 P C -0.694 176.674 177.300 0.113 0.000 1.203 212 P CA 0.275 63.450 63.100 0.125 0.000 0.767 212 P CB 0.336 32.114 31.700 0.130 0.000 0.785 213 D N 3.667 124.136 120.400 0.116 0.000 2.485 213 D HA 0.142 4.782 4.640 0.001 0.000 0.229 213 D C 0.409 176.754 176.300 0.074 0.000 1.101 213 D CA -0.413 53.638 54.000 0.085 0.000 0.906 213 D CB 0.333 41.176 40.800 0.071 0.000 1.019 213 D HN 0.044 nan 8.370 nan 0.000 0.516 214 L N 2.532 123.806 121.223 0.086 0.000 2.591 214 L HA 0.046 4.386 4.340 0.001 0.000 0.228 214 L C 2.430 179.334 176.870 0.056 0.000 1.133 214 L CA 0.616 55.501 54.840 0.074 0.000 0.880 214 L CB -0.184 41.957 42.059 0.136 0.000 1.033 214 L HN 0.404 nan 8.230 nan 0.000 0.450 215 T N -4.765 109.823 114.554 0.056 0.000 3.035 215 T HA -0.051 4.300 4.350 0.001 0.000 0.268 215 T C 1.507 176.232 174.700 0.042 0.000 1.109 215 T CA 0.994 63.124 62.100 0.050 0.000 1.119 215 T CB -0.345 68.548 68.868 0.041 0.000 0.900 215 T HN 0.137 nan 8.240 nan 0.000 0.503 216 V N 0.651 120.594 119.914 0.048 0.000 3.235 216 V HA 0.183 4.304 4.120 0.001 0.000 0.259 216 V C 2.501 178.662 176.094 0.113 0.000 1.133 216 V CA 0.167 62.498 62.300 0.051 0.000 1.128 216 V CB -1.021 30.865 31.823 0.105 0.000 0.757 216 V HN 0.378 nan 8.190 nan 0.000 0.469 217 L N 1.708 122.984 121.223 0.089 0.000 1.991 217 L HA -0.211 4.130 4.340 0.001 0.000 0.221 217 L C 2.785 179.671 176.870 0.027 0.000 1.079 217 L CA 2.273 57.134 54.840 0.035 0.000 0.778 217 L CB -1.362 40.631 42.059 -0.109 0.000 0.893 217 L HN 0.476 nan 8.230 nan 0.000 0.437 218 G N -0.621 108.210 108.800 0.052 0.000 2.469 218 G HA2 -0.377 3.583 3.960 0.001 0.000 0.220 218 G HA3 -0.377 3.583 3.960 0.001 0.000 0.220 218 G C 1.265 176.272 174.900 0.178 0.000 1.136 218 G CA 1.490 46.705 45.100 0.192 0.000 0.759 218 G HN 0.551 nan 8.290 nan 0.000 0.562 219 D N 0.320 120.737 120.400 0.028 0.000 2.087 219 D HA -0.208 4.433 4.640 0.001 0.000 0.192 219 D C 2.151 178.372 176.300 -0.132 0.000 0.993 219 D CA 1.416 55.338 54.000 -0.130 0.000 0.828 219 D CB -1.058 39.537 40.800 -0.342 0.000 0.968 219 D HN 0.592 nan 8.370 nan 0.000 0.448 220 W N 0.383 121.673 121.300 -0.017 0.000 2.321 220 W HA -0.070 4.590 4.660 0.001 0.000 0.306 220 W C 2.737 179.233 176.519 -0.038 0.000 1.217 220 W CA 1.142 58.463 57.345 -0.040 0.000 1.257 220 W CB -0.400 29.007 29.460 -0.089 0.000 1.145 220 W HN 0.152 nan 8.180 nan 0.000 0.509 221 V N 0.699 120.689 119.914 0.128 0.000 2.332 221 V HA -0.323 3.798 4.120 0.001 0.000 0.248 221 V C 2.170 178.344 176.094 0.134 0.000 1.055 221 V CA 2.020 64.328 62.300 0.013 0.000 1.038 221 V CB -0.886 30.728 31.823 -0.347 0.000 0.651 221 V HN 0.219 nan 8.190 nan 0.000 0.450 222 R N -0.180 120.436 120.500 0.193 0.000 2.092 222 R HA -0.131 4.210 4.340 0.001 0.000 0.231 222 R C 2.500 178.861 176.300 0.102 0.000 1.119 222 R CA 1.354 57.554 56.100 0.165 0.000 0.970 222 R CB -0.391 29.993 30.300 0.139 0.000 0.864 222 R HN 0.319 nan 8.270 nan 0.000 0.440 223 R N 1.268 121.824 120.500 0.094 0.000 2.105 223 R HA -0.111 4.230 4.340 0.001 0.000 0.239 223 R C 1.794 178.232 176.300 0.230 0.000 1.135 223 R CA 1.260 57.432 56.100 0.120 0.000 0.967 223 R CB -0.470 29.900 30.300 0.118 0.000 0.861 223 R HN 0.164 nan 8.270 nan 0.000 0.442 224 L N -0.019 121.368 121.223 0.274 0.000 2.599 224 L HA 0.272 4.612 4.340 0.001 0.000 0.230 224 L C 1.702 178.737 176.870 0.275 0.000 1.141 224 L CA 0.950 56.012 54.840 0.371 0.000 0.877 224 L CB -0.081 42.111 42.059 0.220 0.000 1.009 224 L HN 0.281 nan 8.230 nan 0.000 0.447 225 A N -0.544 122.359 122.820 0.137 0.000 2.015 225 A HA -0.195 4.126 4.320 0.001 0.000 0.219 225 A C 2.231 179.808 177.584 -0.011 0.000 1.163 225 A CA 1.505 53.587 52.037 0.074 0.000 0.646 225 A CB -0.261 18.781 19.000 0.069 0.000 0.806 225 A HN 0.452 nan 8.150 nan 0.000 0.448 226 K N -0.686 119.615 120.400 -0.165 0.000 1.978 226 K HA -0.047 4.273 4.320 0.001 0.000 0.214 226 K C 0.120 176.562 176.600 -0.263 0.000 1.049 226 K CA 0.975 57.056 56.287 -0.344 0.000 0.939 226 K CB -0.442 31.602 32.500 -0.759 0.000 0.721 226 K HN 0.428 nan 8.250 nan 0.000 0.441 227 F N 1.742 121.724 119.950 0.053 0.000 2.640 227 F HA -0.102 4.426 4.527 0.001 0.000 0.329 227 F C 1.462 177.288 175.800 0.042 0.000 1.224 227 F CA -0.333 57.700 58.000 0.054 0.000 1.373 227 F CB -0.250 38.770 39.000 0.034 0.000 1.129 227 F HN 0.012 nan 8.300 nan 0.000 0.610 228 S N 2.274 118.132 115.700 0.263 0.000 2.560 228 S HA 0.028 4.498 4.470 0.001 0.000 0.276 228 S C -1.342 173.329 174.600 0.118 0.000 1.350 228 S CA -0.974 57.316 58.200 0.151 0.000 1.024 228 S CB 0.486 63.765 63.200 0.131 0.000 0.864 228 S HN 0.441 nan 8.310 nan 0.000 0.536 229 P HA 0.057 nan 4.420 nan 0.000 0.229 229 P C 0.299 177.636 177.300 0.062 0.000 1.160 229 P CA 0.748 63.892 63.100 0.073 0.000 0.777 229 P CB -0.043 31.698 31.700 0.068 0.000 0.814 230 D N -0.704 119.729 120.400 0.055 0.000 2.323 230 D HA 0.004 4.644 4.640 0.001 0.000 0.209 230 D C 0.577 176.885 176.300 0.013 0.000 0.973 230 D CA 0.601 54.625 54.000 0.040 0.000 0.874 230 D CB -0.362 40.464 40.800 0.043 0.000 0.930 230 D HN 0.068 nan 8.370 nan 0.000 0.521 231 S N 1.383 117.088 115.700 0.007 0.000 2.549 231 S HA 0.200 4.671 4.470 0.001 0.000 0.283 231 S C 0.441 175.018 174.600 -0.039 0.000 1.320 231 S CA -0.161 58.014 58.200 -0.041 0.000 1.058 231 S CB 0.833 64.018 63.200 -0.025 0.000 0.882 231 S HN 0.044 nan 8.310 nan 0.000 0.498 232 R N 1.203 121.655 120.500 -0.080 0.000 2.686 232 R HA 0.585 4.925 4.340 0.001 0.000 0.286 232 R C 0.506 176.730 176.300 -0.126 0.000 0.969 232 R CA -0.747 55.299 56.100 -0.090 0.000 0.898 232 R CB 1.311 31.550 30.300 -0.101 0.000 1.183 232 R HN 0.610 nan 8.270 nan 0.000 0.456 233 A N 1.737 124.477 122.820 -0.132 0.000 1.924 233 A HA 0.173 4.494 4.320 0.001 0.000 0.211 233 A C 0.530 177.976 177.584 -0.229 0.000 1.198 233 A CA 0.630 52.569 52.037 -0.163 0.000 0.657 233 A CB 0.460 19.389 19.000 -0.118 0.000 0.852 233 A HN 0.290 nan 8.150 nan 0.000 0.454 234 V N 0.955 120.736 119.914 -0.223 0.000 2.472 234 V HA 0.501 4.622 4.120 0.001 0.000 0.290 234 V C -0.462 175.495 176.094 -0.228 0.000 1.037 234 V CA -0.165 61.985 62.300 -0.250 0.000 0.908 234 V CB 1.436 33.092 31.823 -0.278 0.000 0.985 234 V HN 0.255 nan 8.190 nan 0.000 0.454 235 T N 5.737 120.172 114.554 -0.198 0.000 3.038 235 T HA 0.473 4.823 4.350 0.001 0.000 0.344 235 T C -0.190 174.431 174.700 -0.131 0.000 1.054 235 T CA -0.171 61.813 62.100 -0.192 0.000 1.092 235 T CB 0.405 69.181 68.868 -0.153 0.000 1.031 235 T HN 0.395 nan 8.240 nan 0.000 0.482 236 I N 3.210 123.667 120.570 -0.189 0.000 2.578 236 I HA 0.050 4.221 4.170 0.001 0.000 0.286 236 I C 0.571 176.688 176.117 0.001 0.000 1.126 236 I CA -0.030 61.237 61.300 -0.056 0.000 1.380 236 I CB 0.269 38.149 38.000 -0.200 0.000 1.408 236 I HN 0.475 nan 8.210 nan 0.000 0.532 237 D N 6.669 127.097 120.400 0.047 0.000 2.422 237 D HA 0.226 4.867 4.640 0.001 0.000 0.227 237 D C 0.853 177.214 176.300 0.102 0.000 1.190 237 D CA -0.052 53.969 54.000 0.035 0.000 0.905 237 D CB 1.374 42.188 40.800 0.024 0.000 1.034 237 D HN 0.638 nan 8.370 nan 0.000 0.507 238 A N 4.164 127.063 122.820 0.131 0.000 2.014 238 A HA -0.142 4.179 4.320 0.001 0.000 0.218 238 A C 1.953 179.652 177.584 0.192 0.000 1.163 238 A CA 0.541 52.714 52.037 0.226 0.000 0.652 238 A CB -0.387 18.701 19.000 0.147 0.000 0.808 238 A HN 0.704 nan 8.150 nan 0.000 0.449 239 N N 0.075 118.817 118.700 0.069 0.000 2.223 239 N HA -0.143 4.597 4.740 0.001 0.000 0.185 239 N C 1.672 177.199 175.510 0.027 0.000 1.016 239 N CA 1.163 54.228 53.050 0.025 0.000 0.863 239 N CB -0.184 38.263 38.487 -0.066 0.000 0.983 239 N HN 0.540 nan 8.380 nan 0.000 0.429 240 I N 0.503 121.089 120.570 0.027 0.000 2.091 240 I HA -0.336 3.834 4.170 0.001 0.000 0.239 240 I C 1.679 177.789 176.117 -0.013 0.000 1.061 240 I CA 1.535 62.865 61.300 0.050 0.000 1.317 240 I CB -0.401 37.501 38.000 -0.164 0.000 1.031 240 I HN 0.192 nan 8.210 nan 0.000 0.401 241 Y N -0.728 119.723 120.300 0.251 0.000 2.224 241 Y HA -0.296 4.255 4.550 0.001 0.000 0.289 241 Y C 2.647 178.642 175.900 0.159 0.000 1.146 241 Y CA 1.872 60.137 58.100 0.275 0.000 1.182 241 Y CB -1.105 37.602 38.460 0.411 0.000 0.983 241 Y HN 0.298 nan 8.280 nan 0.000 0.524 242 H N 0.286 119.425 119.070 0.115 0.000 2.293 242 H HA -0.139 4.418 4.556 0.001 0.000 0.300 242 H C 1.873 177.160 175.328 -0.069 0.000 1.082 242 H CA 2.068 58.119 56.048 0.005 0.000 1.308 242 H CB -0.259 29.475 29.762 -0.046 0.000 1.375 242 H HN 0.091 nan 8.280 nan 0.000 0.495 243 N N 0.219 118.786 118.700 -0.221 0.000 2.272 243 N HA -0.100 4.640 4.740 0.001 0.000 0.185 243 N C 1.594 176.864 175.510 -0.399 0.000 1.014 243 N CA 1.175 53.899 53.050 -0.544 0.000 0.870 243 N CB -0.477 37.080 38.487 -1.550 0.000 0.975 243 N HN 0.565 nan 8.380 nan 0.000 0.433 244 A N -0.735 122.026 122.820 -0.099 0.000 2.208 244 A HA 0.414 4.735 4.320 0.001 0.000 0.209 244 A C 1.511 179.164 177.584 0.116 0.000 1.161 244 A CA 0.999 53.144 52.037 0.180 0.000 0.782 244 A CB -0.120 19.072 19.000 0.320 0.000 0.816 244 A HN 0.332 nan 8.150 nan 0.000 0.477 245 G N -2.439 106.362 108.800 0.001 0.000 2.192 245 G HA2 0.187 4.147 3.960 0.001 0.000 0.193 245 G HA3 0.187 4.147 3.960 0.001 0.000 0.193 245 G C 0.401 175.292 174.900 -0.015 0.000 0.999 245 G CA 0.064 45.154 45.100 -0.018 0.000 0.659 245 G HN 1.415 nan 8.290 nan 0.000 0.503 246 A N 0.345 123.179 122.820 0.023 0.000 2.386 246 A HA 0.766 5.087 4.320 0.001 0.000 0.248 246 A C 1.272 178.836 177.584 -0.034 0.000 1.082 246 A CA 1.134 53.163 52.037 -0.013 0.000 0.789 246 A CB 0.391 19.387 19.000 -0.006 0.000 1.025 246 A HN 1.629 nan 8.150 nan 0.000 0.490 247 G N -0.613 108.152 108.800 -0.058 0.000 2.574 247 G HA2 0.346 4.306 3.960 0.001 0.000 0.248 247 G HA3 0.346 4.306 3.960 0.001 0.000 0.248 247 G C 0.268 175.154 174.900 -0.023 0.000 1.422 247 G CA 0.196 45.286 45.100 -0.018 0.000 1.051 247 G HN 0.665 nan 8.290 nan 0.000 0.560 248 D N -1.023 119.366 120.400 -0.018 0.000 2.097 248 D HA -0.117 4.523 4.640 0.001 0.000 0.197 248 D C 2.789 179.033 176.300 -0.093 0.000 0.984 248 D CA 0.950 54.927 54.000 -0.039 0.000 0.826 248 D CB -0.165 40.623 40.800 -0.020 0.000 0.973 248 D HN 0.062 nan 8.370 nan 0.000 0.460 249 V N 2.142 121.995 119.914 -0.103 0.000 2.233 249 V HA -0.275 3.845 4.120 0.001 0.000 0.247 249 V C 2.706 178.630 176.094 -0.284 0.000 1.050 249 V CA 2.092 64.310 62.300 -0.138 0.000 1.010 249 V CB -0.941 30.826 31.823 -0.094 0.000 0.637 249 V HN 0.171 nan 8.190 nan 0.000 0.444 250 A N -0.282 122.275 122.820 -0.439 0.000 1.883 250 A HA -0.308 4.013 4.320 0.001 0.000 0.217 250 A C 2.293 179.367 177.584 -0.849 0.000 1.186 250 A CA 2.202 53.662 52.037 -0.962 0.000 0.624 250 A CB -0.629 17.636 19.000 -1.225 0.000 0.822 250 A HN 0.690 nan 8.150 nan 0.000 0.444 251 E N -0.636 119.341 120.200 -0.371 0.000 2.058 251 E HA -0.229 4.121 4.350 0.001 0.000 0.194 251 E C 1.894 178.425 176.600 -0.116 0.000 0.997 251 E CA 1.532 57.862 56.400 -0.116 0.000 0.801 251 E CB -0.257 29.444 29.700 0.002 0.000 0.746 251 E HN 0.422 nan 8.360 nan 0.000 0.450 252 L N 0.881 122.010 121.223 -0.157 0.000 2.017 252 L HA -0.072 4.269 4.340 0.001 0.000 0.208 252 L C 2.355 179.137 176.870 -0.147 0.000 1.073 252 L CA 2.303 57.056 54.840 -0.144 0.000 0.745 252 L CB -0.929 41.059 42.059 -0.117 0.000 0.894 252 L HN 0.233 nan 8.230 nan 0.000 0.432 253 A N -0.935 121.777 122.820 -0.181 0.000 1.883 253 A HA -0.228 4.093 4.320 0.001 0.000 0.217 253 A C 1.984 179.583 177.584 0.026 0.000 1.186 253 A CA 1.978 53.950 52.037 -0.108 0.000 0.624 253 A CB -1.210 17.691 19.000 -0.166 0.000 0.822 253 A HN 0.688 nan 8.150 nan 0.000 0.444 254 W N -0.549 120.672 121.300 -0.131 0.000 2.467 254 W HA 0.200 4.861 4.660 0.001 0.000 0.275 254 W C 2.626 179.065 176.519 -0.133 0.000 1.239 254 W CA 0.135 57.358 57.345 -0.203 0.000 1.266 254 W CB -1.302 27.867 29.460 -0.484 0.000 1.112 254 W HN 0.458 nan 8.180 nan 0.000 0.576 255 A N 0.737 123.605 122.820 0.080 0.000 1.873 255 A HA -0.125 4.195 4.320 0.001 0.000 0.215 255 A C 2.150 179.737 177.584 0.004 0.000 1.186 255 A CA 1.535 53.617 52.037 0.075 0.000 0.616 255 A CB -0.984 17.992 19.000 -0.041 0.000 0.823 255 A HN 0.199 nan 8.150 nan 0.000 0.442 256 L N -0.690 120.439 121.223 -0.158 0.000 2.046 256 L HA -0.173 4.168 4.340 0.001 0.000 0.208 256 L C 3.083 179.748 176.870 -0.342 0.000 1.077 256 L CA 1.076 55.732 54.840 -0.307 0.000 0.747 256 L CB -0.701 40.951 42.059 -0.678 0.000 0.896 256 L HN 0.425 nan 8.230 nan 0.000 0.432 257 A N -0.095 122.619 122.820 -0.176 0.000 1.877 257 A HA -0.197 4.123 4.320 0.001 0.000 0.216 257 A C 2.389 180.017 177.584 0.073 0.000 1.186 257 A CA 2.416 54.555 52.037 0.171 0.000 0.620 257 A CB -0.989 18.173 19.000 0.270 0.000 0.822 257 A HN 0.385 nan 8.150 nan 0.000 0.443 258 T N -0.334 114.187 114.554 -0.055 0.000 2.821 258 T HA -0.005 4.346 4.350 0.001 0.000 0.267 258 T C 1.913 176.335 174.700 -0.464 0.000 1.046 258 T CA 1.320 63.240 62.100 -0.299 0.000 1.139 258 T CB -0.507 68.220 68.868 -0.235 0.000 0.871 258 T HN 0.585 nan 8.240 nan 0.000 0.454 259 G N 1.157 109.880 108.800 -0.128 0.000 2.404 259 G HA2 -0.007 3.953 3.960 0.001 0.000 0.215 259 G HA3 -0.007 3.953 3.960 0.001 0.000 0.215 259 G C 1.855 176.995 174.900 0.400 0.000 1.174 259 G CA 0.809 45.976 45.100 0.111 0.000 0.780 259 G HN 0.555 nan 8.290 nan 0.000 0.537 260 A N 0.860 123.949 122.820 0.447 0.000 1.883 260 A HA -0.068 4.252 4.320 0.001 0.000 0.217 260 A C 2.222 180.031 177.584 0.375 0.000 1.186 260 A CA 1.991 54.350 52.037 0.537 0.000 0.624 260 A CB -0.389 18.964 19.000 0.590 0.000 0.822 260 A HN 0.337 nan 8.150 nan 0.000 0.444 261 E N -0.709 119.608 120.200 0.195 0.000 2.058 261 E HA -0.203 4.147 4.350 0.001 0.000 0.194 261 E C 1.914 178.662 176.600 0.247 0.000 0.997 261 E CA 1.503 57.995 56.400 0.153 0.000 0.801 261 E CB -0.490 29.225 29.700 0.025 0.000 0.746 261 E HN 0.773 nan 8.360 nan 0.000 0.450 262 Y N 0.470 120.848 120.300 0.131 0.000 2.352 262 Y HA -0.108 4.442 4.550 0.001 0.000 0.292 262 Y C 2.468 178.397 175.900 0.047 0.000 1.136 262 Y CA 0.067 58.209 58.100 0.070 0.000 1.227 262 Y CB -0.991 37.483 38.460 0.022 0.000 0.991 262 Y HN -0.143 nan 8.280 nan 0.000 0.545 263 V N -0.146 119.900 119.914 0.220 0.000 2.283 263 V HA -0.226 3.894 4.120 0.001 0.000 0.243 263 V C 2.428 178.484 176.094 -0.063 0.000 1.039 263 V CA 1.555 63.840 62.300 -0.025 0.000 1.016 263 V CB -0.524 31.121 31.823 -0.297 0.000 0.650 263 V HN 0.212 nan 8.190 nan 0.000 0.449 264 R N 0.174 120.727 120.500 0.089 0.000 2.097 264 R HA -0.213 4.127 4.340 0.001 0.000 0.236 264 R C 2.479 178.864 176.300 0.142 0.000 1.135 264 R CA 1.779 57.984 56.100 0.176 0.000 0.934 264 R CB -0.833 29.634 30.300 0.279 0.000 0.846 264 R HN 0.531 nan 8.270 nan 0.000 0.431 265 A N 1.373 124.290 122.820 0.162 0.000 1.859 265 A HA -0.218 4.103 4.320 0.001 0.000 0.218 265 A C 2.247 179.910 177.584 0.131 0.000 1.209 265 A CA 1.649 53.774 52.037 0.146 0.000 0.639 265 A CB -0.921 18.177 19.000 0.164 0.000 0.835 265 A HN 0.255 nan 8.150 nan 0.000 0.450 266 L N -0.508 120.780 121.223 0.108 0.000 2.127 266 L HA -0.193 4.148 4.340 0.001 0.000 0.211 266 L C 2.495 179.511 176.870 0.243 0.000 1.089 266 L CA 1.131 56.048 54.840 0.128 0.000 0.757 266 L CB -0.475 41.553 42.059 -0.051 0.000 0.899 266 L HN 0.300 nan 8.230 nan 0.000 0.434 267 V N -0.571 119.425 119.914 0.136 0.000 2.379 267 V HA -0.232 3.888 4.120 0.001 0.000 0.245 267 V C 2.290 178.455 176.094 0.119 0.000 1.044 267 V CA 1.586 63.956 62.300 0.116 0.000 1.036 267 V CB -0.405 31.447 31.823 0.047 0.000 0.664 267 V HN 0.419 nan 8.190 nan 0.000 0.453 268 E N 0.244 120.514 120.200 0.116 0.000 2.023 268 E HA -0.261 4.089 4.350 0.001 0.000 0.196 268 E C 2.002 178.657 176.600 0.092 0.000 1.003 268 E CA 1.373 57.830 56.400 0.095 0.000 0.809 268 E CB -0.236 29.520 29.700 0.094 0.000 0.755 268 E HN 0.641 nan 8.360 nan 0.000 0.449 269 Q N -0.418 119.464 119.800 0.137 0.000 2.541 269 Q HA -0.018 4.323 4.340 0.001 0.000 0.216 269 Q C 0.736 176.742 176.000 0.011 0.000 0.968 269 Q CA 0.481 56.364 55.803 0.135 0.000 0.989 269 Q CB 0.125 29.024 28.738 0.268 0.000 0.991 269 Q HN 0.508 nan 8.270 nan 0.000 0.549 270 G N -0.021 108.740 108.800 -0.065 0.000 2.175 270 G HA2 -0.271 3.689 3.960 0.001 0.000 0.244 270 G HA3 -0.271 3.689 3.960 0.001 0.000 0.244 270 G C -0.081 174.676 174.900 -0.239 0.000 0.982 270 G CA -0.342 44.638 45.100 -0.201 0.000 0.641 270 G HN 0.318 nan 8.290 nan 0.000 0.527 271 F N 1.997 121.951 119.950 0.006 0.000 2.370 271 F HA 0.583 5.110 4.527 0.001 0.000 0.324 271 F C 1.481 177.278 175.800 -0.005 0.000 1.116 271 F CA 0.080 58.082 58.000 0.004 0.000 1.123 271 F CB 0.543 39.549 39.000 0.010 0.000 1.238 271 F HN -0.008 nan 8.300 nan 0.000 0.536 272 T N 0.368 115.043 114.554 0.201 0.000 2.766 272 T HA 0.302 4.652 4.350 0.001 0.000 0.295 272 T C 1.109 175.841 174.700 0.054 0.000 1.024 272 T CA -0.024 62.132 62.100 0.093 0.000 1.018 272 T CB 1.083 69.999 68.868 0.080 0.000 1.002 272 T HN 0.707 nan 8.240 nan 0.000 0.532 273 A N 0.833 123.636 122.820 -0.029 0.000 1.930 273 A HA 0.001 4.322 4.320 0.001 0.000 0.215 273 A C 2.445 179.958 177.584 -0.119 0.000 1.176 273 A CA 1.364 53.311 52.037 -0.150 0.000 0.632 273 A CB -1.285 17.589 19.000 -0.210 0.000 0.819 273 A HN 0.805 nan 8.150 nan 0.000 0.445 274 T N 0.037 114.537 114.554 -0.090 0.000 2.720 274 T HA -0.049 4.302 4.350 0.001 0.000 0.268 274 T C 2.175 176.920 174.700 0.075 0.000 1.037 274 T CA 2.160 64.234 62.100 -0.043 0.000 1.144 274 T CB -0.413 68.441 68.868 -0.023 0.000 0.864 274 T HN 0.762 nan 8.240 nan 0.000 0.444 275 E N 0.938 121.191 120.200 0.088 0.000 2.208 275 E HA 0.221 4.571 4.350 0.001 0.000 0.193 275 E C 2.277 178.917 176.600 0.067 0.000 0.988 275 E CA 1.224 57.687 56.400 0.105 0.000 0.828 275 E CB -0.925 nan 29.700 nan 0.000 0.763 275 E HN 0.630 nan 8.360 nan 0.000 0.478 276 A N -0.172 122.695 122.820 0.078 0.000 1.873 276 A HA 0.138 4.458 4.320 0.001 0.000 0.215 276 A C 2.131 179.829 177.584 0.191 0.000 1.186 276 A CA 1.419 53.495 52.037 0.064 0.000 0.616 276 A CB -0.539 18.496 19.000 0.058 0.000 0.823 276 A HN 0.435 nan 8.150 nan 0.000 0.442 277 F N 0.968 120.934 119.950 0.028 0.000 2.161 277 F HA -0.147 4.380 4.527 0.001 0.000 0.300 277 F C 1.609 177.477 175.800 0.112 0.000 1.089 277 F CA 1.734 59.811 58.000 0.128 0.000 1.282 277 F CB -0.402 38.626 39.000 0.047 0.000 1.010 277 F HN 0.239 nan 8.300 nan 0.000 0.485 278 D N -1.845 118.689 120.400 0.225 0.000 2.363 278 D HA -0.064 4.576 4.640 0.001 0.000 0.220 278 D C 2.090 178.423 176.300 0.055 0.000 0.994 278 D CA 0.946 55.024 54.000 0.129 0.000 0.890 278 D CB -0.233 40.633 40.800 0.109 0.000 0.906 278 D HN 0.174 nan 8.370 nan 0.000 0.530 279 T N -0.905 113.657 114.554 0.012 0.000 2.985 279 T HA 0.259 4.610 4.350 0.001 0.000 0.254 279 T C 0.569 175.209 174.700 -0.100 0.000 1.021 279 T CA -0.201 61.867 62.100 -0.052 0.000 0.957 279 T CB 0.344 69.153 68.868 -0.099 0.000 1.047 279 T HN -0.063 nan 8.240 nan 0.000 0.511 280 I N 2.643 123.152 120.570 -0.102 0.000 2.359 280 I HA 0.444 4.615 4.170 0.001 0.000 0.294 280 I C -0.457 175.472 176.117 -0.314 0.000 0.987 280 I CA -0.834 60.326 61.300 -0.234 0.000 1.225 280 I CB 1.481 39.328 38.000 -0.254 0.000 1.366 280 I HN 0.018 nan 8.210 nan 0.000 0.466 281 N N 4.566 123.026 118.700 -0.399 0.000 2.312 281 N HA 0.590 5.330 4.740 0.001 0.000 0.296 281 N C -1.395 173.793 175.510 -0.537 0.000 1.193 281 N CA -0.496 52.356 53.050 -0.331 0.000 0.773 281 N CB 1.703 40.091 38.487 -0.165 0.000 1.435 281 N HN 0.195 nan 8.380 nan 0.000 0.484 282 F N 0.114 119.930 119.950 -0.223 0.000 2.482 282 F HA 0.471 4.999 4.527 0.001 0.000 0.331 282 F C 0.668 176.364 175.800 -0.173 0.000 1.115 282 F CA -0.848 57.014 58.000 -0.230 0.000 0.955 282 F CB 1.567 40.384 39.000 -0.304 0.000 1.136 282 F HN 0.141 nan 8.300 nan 0.000 0.452 283 R N 3.704 124.204 120.500 -0.001 0.000 2.239 283 R HA 0.665 5.006 4.340 0.001 0.000 0.332 283 R C -1.508 174.766 176.300 -0.044 0.000 0.988 283 R CA -0.498 55.561 56.100 -0.069 0.000 0.859 283 R CB 0.661 30.875 30.300 -0.143 0.000 1.148 283 R HN 0.604 nan 8.270 nan 0.000 0.482 284 V N 0.579 120.453 119.914 -0.067 0.000 2.919 284 V HA 0.633 4.753 4.120 0.001 0.000 0.316 284 V C -0.126 175.882 176.094 -0.144 0.000 1.077 284 V CA -0.807 61.440 62.300 -0.089 0.000 0.977 284 V CB 1.950 33.710 31.823 -0.105 0.000 1.039 284 V HN 0.621 nan 8.190 nan 0.000 0.441 285 T N 2.619 117.060 114.554 -0.189 0.000 2.856 285 T HA 0.689 5.040 4.350 0.001 0.000 0.292 285 T C 0.134 174.677 174.700 -0.261 0.000 0.980 285 T CA 0.277 62.202 62.100 -0.292 0.000 1.091 285 T CB 1.265 69.785 68.868 -0.579 0.000 0.936 285 T HN 1.371 nan 8.240 nan 0.000 0.503 286 A N 3.003 125.682 122.820 -0.236 0.000 2.258 286 A HA 0.662 4.983 4.320 0.001 0.000 0.316 286 A C 0.722 178.190 177.584 -0.194 0.000 1.279 286 A CA -0.777 51.148 52.037 -0.187 0.000 0.876 286 A CB 0.279 19.185 19.000 -0.157 0.000 1.170 286 A HN 0.896 nan 8.150 nan 0.000 0.520 287 T N -0.723 113.730 114.554 -0.169 0.000 2.876 287 T HA 0.372 4.723 4.350 0.001 0.000 0.277 287 T C 1.145 175.823 174.700 -0.037 0.000 0.997 287 T CA 0.254 62.260 62.100 -0.157 0.000 0.966 287 T CB 0.375 69.156 68.868 -0.145 0.000 1.312 287 T HN 0.782 nan 8.240 nan 0.000 0.598 288 H N -1.492 117.565 119.070 -0.022 0.000 2.502 288 H HA 0.138 4.695 4.556 0.001 0.000 0.283 288 H C 0.290 175.607 175.328 -0.018 0.000 1.015 288 H CA -0.077 55.958 56.048 -0.021 0.000 1.298 288 H CB 0.090 29.847 29.762 -0.008 0.000 1.411 288 H HN 0.518 nan 8.280 nan 0.000 0.556 289 D N 2.005 122.591 120.400 0.309 0.000 2.374 289 D HA -0.054 4.586 4.640 0.001 0.000 0.240 289 D C 1.035 177.376 176.300 0.069 0.000 1.229 289 D CA 0.046 54.157 54.000 0.184 0.000 0.895 289 D CB 1.262 42.182 40.800 0.200 0.000 1.046 289 D HN 0.488 nan 8.370 nan 0.000 0.498 290 Q N 3.089 122.887 119.800 -0.004 0.000 2.014 290 Q HA -0.231 4.110 4.340 0.001 0.000 0.207 290 Q C 1.190 177.073 176.000 -0.195 0.000 0.993 290 Q CA 1.815 57.525 55.803 -0.157 0.000 0.850 290 Q CB 0.008 28.522 28.738 -0.373 0.000 0.916 290 Q HN 0.535 nan 8.270 nan 0.000 0.417 291 F N 0.087 120.055 119.950 0.030 0.000 2.325 291 F HA -0.046 4.481 4.527 0.001 0.000 0.299 291 F C 1.964 177.684 175.800 -0.134 0.000 1.090 291 F CA 0.551 58.501 58.000 -0.084 0.000 1.392 291 F CB -0.086 38.835 39.000 -0.130 0.000 1.053 291 F HN 0.102 nan 8.300 nan 0.000 0.521 292 L N -0.837 120.439 121.223 0.088 0.000 2.072 292 L HA -0.178 4.162 4.340 0.001 0.000 0.205 292 L C 2.386 179.244 176.870 -0.020 0.000 1.079 292 L CA 1.406 56.264 54.840 0.031 0.000 0.752 292 L CB -0.845 41.251 42.059 0.062 0.000 0.906 292 L HN 0.084 nan 8.230 nan 0.000 0.436 293 T N 0.112 114.645 114.554 -0.035 0.000 2.708 293 T HA -0.147 4.204 4.350 0.001 0.000 0.266 293 T C 1.878 176.519 174.700 -0.099 0.000 1.037 293 T CA 1.436 63.489 62.100 -0.079 0.000 1.146 293 T CB -0.200 68.613 68.868 -0.091 0.000 0.865 293 T HN 0.165 nan 8.240 nan 0.000 0.435 294 I N 1.510 122.021 120.570 -0.098 0.000 2.127 294 I HA -0.202 3.969 4.170 0.001 0.000 0.241 294 I C 2.976 179.038 176.117 -0.091 0.000 1.075 294 I CA 1.321 62.557 61.300 -0.106 0.000 1.334 294 I CB -0.577 37.374 38.000 -0.082 0.000 1.040 294 I HN 0.186 nan 8.210 nan 0.000 0.405 295 A N 0.630 123.400 122.820 -0.084 0.000 1.940 295 A HA -0.252 4.068 4.320 0.001 0.000 0.219 295 A C 2.421 179.955 177.584 -0.083 0.000 1.176 295 A CA 1.920 53.900 52.037 -0.096 0.000 0.631 295 A CB -0.675 18.252 19.000 -0.121 0.000 0.814 295 A HN 0.381 nan 8.150 nan 0.000 0.446 296 R N -0.223 120.228 120.500 -0.081 0.000 2.075 296 R HA -0.010 4.331 4.340 0.001 0.000 0.232 296 R C 1.897 178.132 176.300 -0.108 0.000 1.126 296 R CA 1.426 57.473 56.100 -0.088 0.000 0.963 296 R CB -0.361 29.885 30.300 -0.090 0.000 0.858 296 R HN 0.518 nan 8.270 nan 0.000 0.435 297 L N -0.023 121.130 121.223 -0.115 0.000 2.093 297 L HA -0.097 4.244 4.340 0.001 0.000 0.208 297 L C 2.507 179.317 176.870 -0.101 0.000 1.085 297 L CA 1.342 56.107 54.840 -0.126 0.000 0.755 297 L CB -0.449 41.532 42.059 -0.130 0.000 0.904 297 L HN 0.225 nan 8.230 nan 0.000 0.435 298 R N 0.317 120.769 120.500 -0.080 0.000 2.090 298 R HA -0.024 4.317 4.340 0.001 0.000 0.228 298 R C 2.515 178.791 176.300 -0.039 0.000 1.110 298 R CA 1.121 57.191 56.100 -0.050 0.000 0.973 298 R CB -0.417 29.851 30.300 -0.053 0.000 0.869 298 R HN 0.294 nan 8.270 nan 0.000 0.440 299 A N 1.561 124.349 122.820 -0.054 0.000 1.902 299 A HA -0.141 4.180 4.320 0.001 0.000 0.217 299 A C 2.145 179.703 177.584 -0.043 0.000 1.181 299 A CA 0.982 52.996 52.037 -0.039 0.000 0.623 299 A CB -0.546 18.431 19.000 -0.038 0.000 0.818 299 A HN 0.278 nan 8.150 nan 0.000 0.443 300 L N -0.574 120.586 121.223 -0.105 0.000 1.970 300 L HA -0.248 4.092 4.340 0.001 0.000 0.212 300 L C 2.884 179.690 176.870 -0.107 0.000 1.071 300 L CA 1.832 56.556 54.840 -0.195 0.000 0.751 300 L CB -0.321 41.511 42.059 -0.378 0.000 0.889 300 L HN 0.384 nan 8.230 nan 0.000 0.432 301 R N -0.496 119.973 120.500 -0.052 0.000 2.091 301 R HA -0.254 4.087 4.340 0.001 0.000 0.238 301 R C 2.185 178.568 176.300 0.139 0.000 1.136 301 R CA 1.885 58.027 56.100 0.070 0.000 0.959 301 R CB -0.503 29.867 30.300 0.117 0.000 0.856 301 R HN 0.507 nan 8.270 nan 0.000 0.437 302 E N 0.703 120.960 120.200 0.096 0.000 2.038 302 E HA -0.218 4.133 4.350 0.001 0.000 0.195 302 E C 2.013 178.661 176.600 0.080 0.000 1.000 302 E CA 1.389 57.838 56.400 0.083 0.000 0.803 302 E CB -0.061 29.651 29.700 0.019 0.000 0.750 302 E HN 0.383 nan 8.360 nan 0.000 0.448 303 A N 1.166 124.046 122.820 0.101 0.000 1.898 303 A HA -0.191 4.129 4.320 0.001 0.000 0.216 303 A C 2.072 179.881 177.584 0.374 0.000 1.181 303 A CA 1.214 53.378 52.037 0.212 0.000 0.620 303 A CB -1.257 17.934 19.000 0.317 0.000 0.819 303 A HN 0.722 nan 8.150 nan 0.000 0.442 304 W N 0.502 121.843 121.300 0.068 0.000 2.363 304 W HA -0.154 4.507 4.660 0.001 0.000 0.296 304 W C 2.380 179.042 176.519 0.239 0.000 1.212 304 W CA 1.368 58.776 57.345 0.106 0.000 1.260 304 W CB -0.027 29.391 29.460 -0.069 0.000 1.131 304 W HN 0.446 nan 8.180 nan 0.000 0.530 305 A N 0.860 123.809 122.820 0.215 0.000 1.902 305 A HA -0.268 4.052 4.320 0.001 0.000 0.217 305 A C 1.821 179.468 177.584 0.106 0.000 1.181 305 A CA 2.104 54.214 52.037 0.121 0.000 0.623 305 A CB -0.924 18.221 19.000 0.242 0.000 0.818 305 A HN 0.282 nan 8.150 nan 0.000 0.443 306 R N 0.381 120.948 120.500 0.112 0.000 2.091 306 R HA -0.061 4.279 4.340 0.001 0.000 0.238 306 R C 1.764 178.171 176.300 0.177 0.000 1.136 306 R CA 1.903 58.053 56.100 0.082 0.000 0.959 306 R CB -0.823 29.432 30.300 -0.075 0.000 0.856 306 R HN 0.567 nan 8.270 nan 0.000 0.437 307 I N -0.129 120.612 120.570 0.284 0.000 2.127 307 I HA -0.222 3.949 4.170 0.001 0.000 0.241 307 I C 2.321 178.513 176.117 0.124 0.000 1.075 307 I CA 1.689 63.144 61.300 0.258 0.000 1.334 307 I CB -0.913 37.251 38.000 0.274 0.000 1.040 307 I HN 0.470 nan 8.210 nan 0.000 0.405 308 G N 0.114 108.888 108.800 -0.043 0.000 2.476 308 G HA2 -0.317 3.643 3.960 0.001 0.000 0.218 308 G HA3 -0.317 3.643 3.960 0.001 0.000 0.218 308 G C 1.571 176.351 174.900 -0.200 0.000 1.164 308 G CA 0.967 45.802 45.100 -0.441 0.000 0.768 308 G HN 0.442 nan 8.290 nan 0.000 0.560 309 E N -0.259 119.901 120.200 -0.066 0.000 2.110 309 E HA -0.085 4.266 4.350 0.001 0.000 0.193 309 E C 2.686 179.279 176.600 -0.012 0.000 0.988 309 E CA 0.913 57.299 56.400 -0.023 0.000 0.804 309 E CB -0.025 29.682 29.700 0.012 0.000 0.745 309 E HN 0.312 nan 8.360 nan 0.000 0.458 310 V N 0.292 120.197 119.914 -0.015 0.000 2.453 310 V HA -0.176 3.944 4.120 0.001 0.000 0.247 310 V C 1.615 177.661 176.094 -0.079 0.000 1.048 310 V CA 1.222 63.486 62.300 -0.061 0.000 1.049 310 V CB -0.374 31.396 31.823 -0.087 0.000 0.672 310 V HN 0.248 nan 8.190 nan 0.000 0.457 311 F N 0.745 120.666 119.950 -0.047 0.000 2.797 311 F HA 0.382 4.909 4.527 0.001 0.000 0.302 311 F C 1.861 177.594 175.800 -0.112 0.000 1.130 311 F CA 0.270 58.228 58.000 -0.070 0.000 1.387 311 F CB -0.557 38.375 39.000 -0.112 0.000 1.107 311 F HN 0.276 nan 8.300 nan 0.000 0.577 312 G N 1.148 109.976 108.800 0.046 0.000 2.221 312 G HA2 -0.257 3.703 3.960 0.001 0.000 0.265 312 G HA3 -0.257 3.703 3.960 0.001 0.000 0.265 312 G C 0.196 175.046 174.900 -0.082 0.000 1.041 312 G CA 0.172 45.265 45.100 -0.012 0.000 0.807 312 G HN 0.149 nan 8.290 nan 0.000 0.502 313 V N 0.654 120.445 119.914 -0.205 0.000 2.963 313 V HA 0.180 4.301 4.120 0.001 0.000 0.306 313 V C 0.949 176.947 176.094 -0.160 0.000 1.077 313 V CA -0.505 61.609 62.300 -0.310 0.000 1.124 313 V CB 0.796 32.163 31.823 -0.760 0.000 0.987 313 V HN 0.386 nan 8.190 nan 0.000 0.487 314 D N 2.908 123.252 120.400 -0.094 0.000 2.472 314 D HA -0.029 4.612 4.640 0.001 0.000 0.237 314 D C 1.397 177.700 176.300 0.004 0.000 1.141 314 D CA 0.276 54.263 54.000 -0.023 0.000 0.875 314 D CB 0.698 41.504 40.800 0.011 0.000 1.192 314 D HN 0.824 nan 8.370 nan 0.000 0.450 315 E N 1.556 121.783 120.200 0.044 0.000 2.097 315 E HA -0.282 4.069 4.350 0.001 0.000 0.196 315 E C 0.759 177.490 176.600 0.218 0.000 1.000 315 E CA 1.396 57.859 56.400 0.106 0.000 0.804 315 E CB -0.131 29.619 29.700 0.084 0.000 0.740 315 E HN 0.452 nan 8.360 nan 0.000 0.454 316 D N 0.881 121.397 120.400 0.193 0.000 2.347 316 D HA -0.105 4.536 4.640 0.001 0.000 0.215 316 D C 1.216 177.698 176.300 0.303 0.000 0.976 316 D CA 0.637 54.800 54.000 0.271 0.000 0.884 316 D CB -0.062 40.831 40.800 0.156 0.000 0.915 316 D HN 0.155 nan 8.370 nan 0.000 0.526 317 K N 0.158 120.661 120.400 0.172 0.000 2.399 317 K HA 0.227 4.548 4.320 0.001 0.000 0.204 317 K C 0.998 177.631 176.600 0.055 0.000 1.023 317 K CA -0.224 56.134 56.287 0.118 0.000 1.127 317 K CB 0.755 33.309 32.500 0.091 0.000 0.856 317 K HN 0.128 nan 8.250 nan 0.000 0.514 318 R N 0.908 121.346 120.500 -0.102 0.000 2.320 318 R HA 0.051 4.392 4.340 0.001 0.000 0.211 318 R C 0.800 176.732 176.300 -0.613 0.000 0.931 318 R CA -0.085 55.877 56.100 -0.230 0.000 1.071 318 R CB 0.337 30.544 30.300 -0.155 0.000 1.025 318 R HN 0.010 nan 8.270 nan 0.000 0.495 319 G N 0.746 108.984 108.800 -0.936 0.000 2.338 319 G HA2 0.435 4.396 3.960 0.001 0.000 0.295 319 G HA3 0.435 4.396 3.960 0.001 0.000 0.295 319 G C -0.141 174.781 174.900 0.037 0.000 1.132 319 G CA -0.481 44.181 45.100 -0.731 0.000 0.922 319 G HN 0.232 nan 8.290 nan 0.000 0.427 320 A N 3.689 126.626 122.820 0.196 0.000 2.462 320 A HA 0.507 4.828 4.320 0.001 0.000 0.243 320 A C 0.698 178.344 177.584 0.103 0.000 1.076 320 A CA -0.080 52.061 52.037 0.173 0.000 0.773 320 A CB 0.349 19.219 19.000 -0.218 0.000 1.010 320 A HN 0.718 nan 8.150 nan 0.000 0.493 321 R N 1.712 122.296 120.500 0.141 0.000 2.310 321 R HA 0.345 4.686 4.340 0.001 0.000 0.324 321 R C -0.973 175.384 176.300 0.095 0.000 0.955 321 R CA -0.144 56.011 56.100 0.092 0.000 0.830 321 R CB 1.403 31.744 30.300 0.068 0.000 1.154 321 R HN 0.831 nan 8.270 nan 0.000 0.458 322 Q N 1.896 121.718 119.800 0.037 0.000 2.322 322 Q HA 0.323 4.663 4.340 0.001 0.000 0.265 322 Q C -0.715 175.273 176.000 -0.020 0.000 0.985 322 Q CA -0.754 55.055 55.803 0.009 0.000 0.849 322 Q CB 2.165 30.869 28.738 -0.057 0.000 1.274 322 Q HN 0.382 nan 8.270 nan 0.000 0.449 323 N N 1.747 120.427 118.700 -0.034 0.000 2.546 323 N HA 0.313 5.053 4.740 0.001 0.000 0.238 323 N C -1.098 174.360 175.510 -0.087 0.000 0.984 323 N CA -0.131 52.885 53.050 -0.056 0.000 0.935 323 N CB 1.552 39.998 38.487 -0.068 0.000 1.122 323 N HN 0.557 nan 8.380 nan 0.000 0.510 324 A N 2.787 125.548 122.820 -0.099 0.000 2.363 324 A HA 0.497 4.818 4.320 0.001 0.000 0.270 324 A C 0.126 177.636 177.584 -0.125 0.000 1.121 324 A CA -0.415 51.546 52.037 -0.127 0.000 0.800 324 A CB 0.421 19.328 19.000 -0.155 0.000 1.052 324 A HN 0.748 nan 8.150 nan 0.000 0.493 325 I N 1.971 122.459 120.570 -0.137 0.000 2.545 325 I HA 0.463 4.634 4.170 0.001 0.000 0.292 325 I C 0.651 176.695 176.117 -0.122 0.000 1.040 325 I CA -0.325 60.902 61.300 -0.122 0.000 1.068 325 I CB 2.181 40.097 38.000 -0.140 0.000 1.251 325 I HN 0.830 nan 8.210 nan 0.000 0.424 326 T N 2.699 117.202 114.554 -0.085 0.000 2.898 326 T HA 0.139 4.490 4.350 0.001 0.000 0.301 326 T C 0.396 175.055 174.700 -0.069 0.000 1.049 326 T CA -0.474 61.576 62.100 -0.083 0.000 1.095 326 T CB 1.154 69.994 68.868 -0.046 0.000 0.976 326 T HN 0.620 nan 8.240 nan 0.000 0.539 327 S N 1.847 117.488 115.700 -0.099 0.000 2.555 327 S HA -0.001 4.469 4.470 0.001 0.000 0.293 327 S C 0.624 175.257 174.600 0.055 0.000 1.248 327 S CA -0.549 57.626 58.200 -0.041 0.000 1.096 327 S CB -0.598 62.571 63.200 -0.052 0.000 0.881 327 S HN 0.877 nan 8.310 nan 0.000 0.498 328 W N 6.258 127.518 121.300 -0.067 0.000 2.443 328 W HA 0.004 4.665 4.660 0.001 0.000 0.296 328 W C 2.201 178.674 176.519 -0.077 0.000 1.202 328 W CA 0.890 58.185 57.345 -0.083 0.000 1.312 328 W CB -0.275 29.089 29.460 -0.160 0.000 1.120 328 W HN 0.778 nan 8.180 nan 0.000 0.536 329 R N 0.574 121.020 120.500 -0.090 0.000 2.117 329 R HA -0.215 4.125 4.340 0.001 0.000 0.243 329 R C 1.777 177.869 176.300 -0.347 0.000 1.143 329 R CA 2.184 58.072 56.100 -0.353 0.000 0.968 329 R CB -0.358 29.800 30.300 -0.238 0.000 0.863 329 R HN 0.313 nan 8.270 nan 0.000 0.444 330 E N -0.168 119.905 120.200 -0.211 0.000 2.481 330 E HA 0.020 4.371 4.350 0.001 0.000 0.195 330 E C -0.064 176.452 176.600 -0.140 0.000 1.047 330 E CA -0.155 56.146 56.400 -0.165 0.000 0.867 330 E CB 0.180 29.751 29.700 -0.216 0.000 0.858 330 E HN 0.278 nan 8.360 nan 0.000 0.513 331 L N 1.440 122.527 121.223 -0.227 0.000 2.467 331 L HA 0.105 4.445 4.340 0.001 0.000 0.270 331 L C 0.705 177.481 176.870 -0.158 0.000 1.205 331 L CA -0.036 54.702 54.840 -0.170 0.000 0.828 331 L CB 0.508 42.443 42.059 -0.206 0.000 1.101 331 L HN 0.022 nan 8.230 nan 0.000 0.479 332 T N -1.509 113.007 114.554 -0.063 0.000 2.908 332 T HA 0.381 4.731 4.350 0.001 0.000 0.290 332 T C 0.477 175.174 174.700 -0.005 0.000 1.034 332 T CA -0.908 61.175 62.100 -0.027 0.000 1.010 332 T CB 2.363 71.240 68.868 0.013 0.000 1.068 332 T HN 0.643 nan 8.240 nan 0.000 0.481 333 R N 0.234 120.740 120.500 0.012 0.000 2.090 333 R HA 0.158 4.498 4.340 0.001 0.000 0.219 333 R C 0.059 176.387 176.300 0.047 0.000 1.100 333 R CA 0.413 56.530 56.100 0.028 0.000 0.991 333 R CB 0.057 30.380 30.300 0.039 0.000 0.893 333 R HN 0.682 nan 8.270 nan 0.000 0.443 334 E N 1.516 121.747 120.200 0.052 0.000 2.354 334 E HA 0.010 4.361 4.350 0.001 0.000 0.269 334 E C -0.837 175.807 176.600 0.073 0.000 1.036 334 E CA 0.208 56.645 56.400 0.061 0.000 0.876 334 E CB 0.627 30.359 29.700 0.053 0.000 1.009 334 E HN 0.114 nan 8.360 nan 0.000 0.416 335 D N 3.182 123.641 120.400 0.098 0.000 3.003 335 D HA -0.147 4.494 4.640 0.001 0.000 0.223 335 D C -1.717 174.677 176.300 0.157 0.000 1.204 335 D CA 0.193 54.273 54.000 0.133 0.000 0.828 335 D CB 0.037 40.894 40.800 0.095 0.000 0.918 335 D HN 0.314 nan 8.370 nan 0.000 0.401 336 P HA -0.170 nan 4.420 nan 0.000 0.221 336 P C 1.415 178.869 177.300 0.256 0.000 1.150 336 P CA 0.879 64.091 63.100 0.186 0.000 0.800 336 P CB -0.068 31.703 31.700 0.118 0.000 0.787 337 Y N 0.171 120.583 120.300 0.187 0.000 2.333 337 Y HA -0.141 4.409 4.550 0.001 0.000 0.290 337 Y C 2.609 178.484 175.900 -0.041 0.000 1.144 337 Y CA 0.766 58.838 58.100 -0.047 0.000 1.228 337 Y CB -1.460 36.945 38.460 -0.091 0.000 0.985 337 Y HN -0.240 nan 8.280 nan 0.000 0.542 338 V N 0.560 120.552 119.914 0.130 0.000 2.469 338 V HA -0.331 3.789 4.120 0.001 0.000 0.251 338 V C 1.810 177.939 176.094 0.058 0.000 1.064 338 V CA 1.897 64.240 62.300 0.072 0.000 1.066 338 V CB -0.567 31.293 31.823 0.062 0.000 0.667 338 V HN 0.530 nan 8.190 nan 0.000 0.461 339 N N 0.246 118.994 118.700 0.080 0.000 2.348 339 N HA -0.113 4.628 4.740 0.001 0.000 0.185 339 N C 1.685 177.234 175.510 0.065 0.000 1.019 339 N CA 1.383 54.481 53.050 0.079 0.000 0.880 339 N CB -0.294 38.260 38.487 0.112 0.000 0.965 339 N HN 0.487 nan 8.380 nan 0.000 0.437 340 I N 0.797 121.376 120.570 0.015 0.000 2.179 340 I HA -0.252 3.918 4.170 0.001 0.000 0.242 340 I C 2.025 178.132 176.117 -0.017 0.000 1.088 340 I CA 1.008 62.280 61.300 -0.047 0.000 1.357 340 I CB -0.289 37.607 38.000 -0.173 0.000 1.051 340 I HN 0.047 nan 8.210 nan 0.000 0.409 341 L N 0.089 121.307 121.223 -0.009 0.000 2.027 341 L HA -0.151 4.190 4.340 0.001 0.000 0.206 341 L C 2.769 179.643 176.870 0.006 0.000 1.074 341 L CA 1.283 56.118 54.840 -0.008 0.000 0.745 341 L CB -0.623 41.432 42.059 -0.008 0.000 0.898 341 L HN 0.097 nan 8.230 nan 0.000 0.433 342 R N 0.104 120.620 120.500 0.028 0.000 2.083 342 R HA -0.142 4.198 4.340 0.001 0.000 0.237 342 R C 2.374 178.691 176.300 0.028 0.000 1.137 342 R CA 1.534 57.662 56.100 0.048 0.000 0.951 342 R CB -0.761 29.574 30.300 0.060 0.000 0.851 342 R HN 0.456 nan 8.270 nan 0.000 0.434 343 G N -0.625 108.188 108.800 0.022 0.000 2.408 343 G HA2 -0.216 3.744 3.960 0.001 0.000 0.217 343 G HA3 -0.216 3.744 3.960 0.001 0.000 0.217 343 G C 1.413 176.321 174.900 0.013 0.000 1.150 343 G CA 0.709 45.818 45.100 0.015 0.000 0.776 343 G HN 0.226 nan 8.290 nan 0.000 0.542 344 S N 0.197 115.904 115.700 0.011 0.000 2.351 344 S HA -0.102 4.369 4.470 0.001 0.000 0.220 344 S C 2.195 176.806 174.600 0.017 0.000 1.035 344 S CA 1.098 59.307 58.200 0.014 0.000 1.031 344 S CB -0.281 62.913 63.200 -0.009 0.000 0.928 344 S HN 0.381 nan 8.310 nan 0.000 0.433 345 I N 0.972 121.534 120.570 -0.012 0.000 2.394 345 I HA -0.157 4.014 4.170 0.001 0.000 0.251 345 I C 2.247 178.381 176.117 0.029 0.000 1.136 345 I CA 0.995 62.281 61.300 -0.024 0.000 1.425 345 I CB -0.276 37.686 38.000 -0.064 0.000 1.079 345 I HN 0.289 nan 8.210 nan 0.000 0.425 346 A N -0.303 122.521 122.820 0.007 0.000 1.897 346 A HA -0.151 4.169 4.320 0.001 0.000 0.215 346 A C 2.256 179.805 177.584 -0.060 0.000 1.181 346 A CA 2.107 54.126 52.037 -0.031 0.000 0.620 346 A CB -1.030 17.945 19.000 -0.042 0.000 0.821 346 A HN 0.420 nan 8.150 nan 0.000 0.443 347 T N -0.690 113.839 114.554 -0.041 0.000 2.777 347 T HA -0.107 4.244 4.350 0.001 0.000 0.266 347 T C 1.615 176.225 174.700 -0.151 0.000 1.040 347 T CA 1.489 63.533 62.100 -0.094 0.000 1.141 347 T CB -0.396 68.458 68.868 -0.023 0.000 0.868 347 T HN 0.479 nan 8.240 nan 0.000 0.444 348 F N 2.265 122.099 119.950 -0.193 0.000 2.102 348 F HA -0.154 4.374 4.527 0.001 0.000 0.298 348 F C 2.513 178.157 175.800 -0.260 0.000 1.105 348 F CA 1.384 59.258 58.000 -0.209 0.000 1.239 348 F CB -0.523 38.388 39.000 -0.148 0.000 0.991 348 F HN 0.033 nan 8.300 nan 0.000 0.474 349 S N 0.620 116.298 115.700 -0.035 0.000 2.370 349 S HA -0.195 4.276 4.470 0.001 0.000 0.226 349 S C 2.309 176.741 174.600 -0.279 0.000 1.033 349 S CA 1.118 59.227 58.200 -0.151 0.000 1.011 349 S CB -0.963 62.197 63.200 -0.066 0.000 0.852 349 S HN 0.564 nan 8.310 nan 0.000 0.457 350 A N 1.184 123.831 122.820 -0.289 0.000 1.877 350 A HA -0.109 4.212 4.320 0.001 0.000 0.216 350 A C 2.328 179.652 177.584 -0.433 0.000 1.186 350 A CA 2.036 53.882 52.037 -0.318 0.000 0.620 350 A CB -1.109 17.713 19.000 -0.297 0.000 0.822 350 A HN 0.512 nan 8.150 nan 0.000 0.443 351 S N -0.562 114.744 115.700 -0.656 0.000 2.368 351 S HA -0.116 4.354 4.470 0.001 0.000 0.224 351 S C 1.863 176.152 174.600 -0.518 0.000 1.029 351 S CA 1.674 59.385 58.200 -0.815 0.000 0.988 351 S CB -0.532 61.831 63.200 -1.397 0.000 0.838 351 S HN 0.284 nan 8.310 nan 0.000 0.462 352 V N 1.628 121.212 119.914 -0.551 0.000 2.515 352 V HA 0.008 4.128 4.120 0.001 0.000 0.250 352 V C 2.735 178.673 176.094 -0.259 0.000 1.058 352 V CA 1.632 63.677 62.300 -0.425 0.000 1.064 352 V CB -1.431 30.069 31.823 -0.537 0.000 0.675 352 V HN 0.656 nan 8.190 nan 0.000 0.461 353 G N -0.339 108.316 108.800 -0.243 0.000 2.559 353 G HA2 0.201 4.162 3.960 0.001 0.000 0.216 353 G HA3 0.201 4.162 3.960 0.001 0.000 0.216 353 G C 1.220 176.038 174.900 -0.137 0.000 1.126 353 G CA 0.679 45.674 45.100 -0.174 0.000 0.778 353 G HN 1.065 nan 8.290 nan 0.000 0.543 354 G N -0.861 107.855 108.800 -0.140 0.000 2.248 354 G HA2 0.170 4.131 3.960 0.001 0.000 0.263 354 G HA3 0.170 4.131 3.960 0.001 0.000 0.263 354 G C 0.341 175.202 174.900 -0.066 0.000 1.082 354 G CA 0.175 45.229 45.100 -0.077 0.000 0.863 354 G HN 1.305 nan 8.290 nan 0.000 0.495 355 A N -0.687 122.057 122.820 -0.128 0.000 2.425 355 A HA 0.690 5.011 4.320 0.001 0.000 0.249 355 A C 1.237 178.807 177.584 -0.023 0.000 1.084 355 A CA 0.871 52.848 52.037 -0.100 0.000 0.781 355 A CB 0.411 19.314 19.000 -0.161 0.000 1.019 355 A HN 0.403 nan 8.150 nan 0.000 0.490 356 E N 0.712 120.921 120.200 0.016 0.000 2.072 356 E HA -0.019 4.332 4.350 0.001 0.000 0.191 356 E C 0.841 177.504 176.600 0.104 0.000 0.985 356 E CA 1.720 58.160 56.400 0.068 0.000 0.801 356 E CB -0.003 29.730 29.700 0.056 0.000 0.750 356 E HN 0.765 nan 8.360 nan 0.000 0.452 357 S N -0.942 114.796 115.700 0.063 0.000 2.569 357 S HA 0.693 5.164 4.470 0.001 0.000 0.280 357 S C -0.574 174.049 174.600 0.040 0.000 1.111 357 S CA -1.000 57.261 58.200 0.103 0.000 0.887 357 S CB 1.547 64.787 63.200 0.066 0.000 1.095 357 S HN 0.018 nan 8.310 nan 0.000 0.476 358 I N 1.427 122.049 120.570 0.088 0.000 2.498 358 I HA 0.412 4.582 4.170 0.001 0.000 0.290 358 I C -0.682 175.452 176.117 0.029 0.000 1.032 358 I CA -0.326 60.959 61.300 -0.025 0.000 1.073 358 I CB 2.618 40.507 38.000 -0.186 0.000 1.251 358 I HN 0.687 nan 8.210 nan 0.000 0.426 359 T N 3.812 118.353 114.554 -0.022 0.000 2.809 359 T HA 0.327 4.677 4.350 0.001 0.000 0.296 359 T C -0.190 174.499 174.700 -0.018 0.000 1.015 359 T CA -0.446 61.646 62.100 -0.014 0.000 0.954 359 T CB 0.892 69.732 68.868 -0.046 0.000 0.950 359 T HN 0.442 nan 8.240 nan 0.000 0.450 360 T N 4.910 119.469 114.554 0.008 0.000 2.767 360 T HA 0.420 4.770 4.350 0.001 0.000 0.288 360 T C 0.537 175.247 174.700 0.016 0.000 0.963 360 T CA -0.628 61.477 62.100 0.009 0.000 1.019 360 T CB 0.418 69.303 68.868 0.028 0.000 0.923 360 T HN 0.367 nan 8.240 nan 0.000 0.468 361 L N 5.573 126.809 121.223 0.022 0.000 2.426 361 L HA 0.272 4.613 4.340 0.001 0.000 0.271 361 L C -1.782 175.116 176.870 0.046 0.000 1.169 361 L CA -2.021 52.846 54.840 0.046 0.000 0.836 361 L CB 0.153 42.256 42.059 0.074 0.000 1.112 361 L HN 0.343 nan 8.230 nan 0.000 0.465 362 P HA -0.065 nan 4.420 nan 0.000 0.269 362 P C 0.415 177.723 177.300 0.014 0.000 1.209 362 P CA -0.180 62.925 63.100 0.010 0.000 0.776 362 P CB 0.319 31.990 31.700 -0.048 0.000 0.876 363 F N 0.619 120.498 119.950 -0.118 0.000 2.269 363 F HA -0.115 4.412 4.527 0.001 0.000 0.301 363 F C 1.444 177.168 175.800 -0.126 0.000 1.082 363 F CA 1.481 59.400 58.000 -0.135 0.000 1.360 363 F CB -1.953 36.919 39.000 -0.214 0.000 1.041 363 F HN 0.236 nan 8.300 nan 0.000 0.512 364 T N -2.790 111.337 114.554 -0.712 0.000 3.148 364 T HA -0.016 4.335 4.350 0.001 0.000 0.253 364 T C 1.516 176.081 174.700 -0.224 0.000 1.134 364 T CA 0.641 62.389 62.100 -0.586 0.000 1.051 364 T CB -0.338 68.141 68.868 -0.648 0.000 0.959 364 T HN 0.360 nan 8.240 nan 0.000 0.525 365 Q N 1.699 121.466 119.800 -0.056 0.000 2.297 365 Q HA 0.137 4.477 4.340 0.001 0.000 0.208 365 Q C 2.113 178.295 176.000 0.303 0.000 0.981 365 Q CA 1.459 57.367 55.803 0.175 0.000 0.876 365 Q CB -0.699 28.170 28.738 0.218 0.000 0.921 365 Q HN 0.716 nan 8.270 nan 0.000 0.446 366 A N -1.199 121.703 122.820 0.137 0.000 2.195 366 A HA 0.157 4.478 4.320 0.001 0.000 0.210 366 A C 1.516 179.202 177.584 0.171 0.000 1.165 366 A CA 0.283 52.412 52.037 0.153 0.000 0.806 366 A CB -0.006 18.983 19.000 -0.018 0.000 0.847 366 A HN 0.392 nan 8.150 nan 0.000 0.482 367 L N -2.186 119.063 121.223 0.044 0.000 2.388 367 L HA 0.456 4.796 4.340 0.001 0.000 0.209 367 L C 1.302 178.039 176.870 -0.221 0.000 1.061 367 L CA 0.545 55.359 54.840 -0.044 0.000 0.834 367 L CB -0.252 41.742 42.059 -0.108 0.000 1.029 367 L HN 0.449 nan 8.230 nan 0.000 0.473 368 G N -0.283 108.215 108.800 -0.503 0.000 2.336 368 G HA2 0.307 4.267 3.960 0.001 0.000 0.286 368 G HA3 0.307 4.267 3.960 0.001 0.000 0.286 368 G C -1.817 172.550 174.900 -0.887 0.000 1.269 368 G CA -0.912 43.523 45.100 -1.109 0.000 0.873 368 G HN -0.098 nan 8.290 nan 0.000 0.494 369 L N 1.605 122.409 121.223 -0.699 0.000 2.357 369 L HA 0.473 4.813 4.340 0.001 0.000 0.273 369 L C -2.055 174.647 176.870 -0.280 0.000 1.080 369 L CA -1.912 52.715 54.840 -0.355 0.000 0.803 369 L CB 1.679 43.585 42.059 -0.254 0.000 1.174 369 L HN 0.232 nan 8.230 nan 0.000 0.443 370 P HA 0.014 nan 4.420 nan 0.000 0.265 370 P C -0.009 177.221 177.300 -0.117 0.000 1.193 370 P CA 0.123 63.165 63.100 -0.096 0.000 0.765 370 P CB 0.674 32.407 31.700 0.055 0.000 0.823 371 E N 1.116 121.287 120.200 -0.049 0.000 2.152 371 E HA -0.116 4.235 4.350 0.001 0.000 0.192 371 E C 0.365 177.081 176.600 0.192 0.000 0.983 371 E CA 1.065 57.445 56.400 -0.034 0.000 0.818 371 E CB 0.307 30.009 29.700 0.004 0.000 0.758 371 E HN 0.656 nan 8.360 nan 0.000 0.467 372 D N -1.970 118.623 120.400 0.322 0.000 3.076 372 D HA -0.007 4.634 4.640 0.001 0.000 0.301 372 D C 0.250 176.753 176.300 0.339 0.000 1.260 372 D CA -0.540 53.690 54.000 0.383 0.000 1.027 372 D CB -0.262 40.676 40.800 0.230 0.000 1.370 372 D HN -0.283 nan 8.370 nan 0.000 0.602 373 D N -1.876 118.647 120.400 0.206 0.000 2.289 373 D HA -0.000 4.640 4.640 0.001 0.000 0.207 373 D C 1.577 178.011 176.300 0.224 0.000 0.966 373 D CA 0.134 54.231 54.000 0.162 0.000 0.868 373 D CB -0.194 40.660 40.800 0.090 0.000 0.943 373 D HN 0.213 nan 8.370 nan 0.000 0.514 374 F N 2.148 122.169 119.950 0.118 0.000 2.037 374 F HA -0.243 4.284 4.527 0.001 0.000 0.296 374 F C -1.060 174.854 175.800 0.189 0.000 1.132 374 F CA 1.930 60.019 58.000 0.148 0.000 1.211 374 F CB -1.746 37.356 39.000 0.169 0.000 0.951 374 F HN 0.090 nan 8.300 nan 0.000 0.503 375 P HA -0.167 nan 4.420 nan 0.000 0.215 375 P C 2.352 179.620 177.300 -0.054 0.000 1.153 375 P CA 1.927 64.932 63.100 -0.158 0.000 0.853 375 P CB -0.272 31.248 31.700 -0.301 0.000 0.788 376 L N -0.808 120.419 121.223 0.007 0.000 2.017 376 L HA -0.139 4.201 4.340 0.001 0.000 0.208 376 L C 2.986 179.872 176.870 0.025 0.000 1.073 376 L CA 1.572 56.425 54.840 0.021 0.000 0.745 376 L CB -0.708 41.390 42.059 0.065 0.000 0.894 376 L HN -0.085 nan 8.230 nan 0.000 0.432 377 R N 0.296 120.823 120.500 0.045 0.000 2.081 377 R HA -0.171 4.170 4.340 0.001 0.000 0.235 377 R C 2.278 178.595 176.300 0.028 0.000 1.131 377 R CA 1.321 57.455 56.100 0.056 0.000 0.960 377 R CB 0.009 30.373 30.300 0.107 0.000 0.856 377 R HN 0.210 nan 8.270 nan 0.000 0.436 378 I N 1.071 121.623 120.570 -0.029 0.000 2.202 378 I HA -0.171 3.999 4.170 0.001 0.000 0.242 378 I C 2.579 178.695 176.117 -0.003 0.000 1.091 378 I CA 1.386 62.656 61.300 -0.050 0.000 1.368 378 I CB -1.709 36.190 38.000 -0.168 0.000 1.058 378 I HN 0.236 nan 8.210 nan 0.000 0.410 379 A N 2.186 125.012 122.820 0.010 0.000 1.859 379 A HA -0.264 4.057 4.320 0.001 0.000 0.217 379 A C 2.486 180.092 177.584 0.038 0.000 1.198 379 A CA 2.606 54.658 52.037 0.025 0.000 0.629 379 A CB -0.850 18.157 19.000 0.013 0.000 0.830 379 A HN 0.555 nan 8.150 nan 0.000 0.446 380 R N -1.015 119.509 120.500 0.039 0.000 2.115 380 R HA -0.082 4.259 4.340 0.001 0.000 0.230 380 R C 1.429 177.766 176.300 0.063 0.000 1.111 380 R CA 1.612 57.745 56.100 0.055 0.000 0.976 380 R CB -0.630 29.700 30.300 0.050 0.000 0.870 380 R HN 0.399 nan 8.270 nan 0.000 0.445 381 N N 0.616 119.348 118.700 0.053 0.000 2.244 381 N HA -0.080 4.660 4.740 0.001 0.000 0.183 381 N C 1.382 176.933 175.510 0.069 0.000 1.016 381 N CA 1.799 54.882 53.050 0.054 0.000 0.866 381 N CB -0.452 38.063 38.487 0.047 0.000 0.980 381 N HN 0.284 nan 8.380 nan 0.000 0.430 382 T N -0.127 114.469 114.554 0.070 0.000 2.607 382 T HA -0.132 4.218 4.350 0.001 0.000 0.267 382 T C 1.901 176.691 174.700 0.150 0.000 1.049 382 T CA 1.731 63.883 62.100 0.086 0.000 1.162 382 T CB -0.828 68.079 68.868 0.066 0.000 0.863 382 T HN 0.396 nan 8.240 nan 0.000 0.424 383 G N 0.657 109.575 108.800 0.198 0.000 2.408 383 G HA2 -0.073 3.888 3.960 0.001 0.000 0.217 383 G HA3 -0.073 3.888 3.960 0.001 0.000 0.217 383 G C 1.574 176.644 174.900 0.284 0.000 1.150 383 G CA 0.345 45.675 45.100 0.385 0.000 0.776 383 G HN 0.490 nan 8.290 nan 0.000 0.542 384 I N 0.322 120.962 120.570 0.118 0.000 2.226 384 I HA -0.144 4.026 4.170 0.001 0.000 0.245 384 I C 2.735 178.874 176.117 0.037 0.000 1.100 384 I CA 0.497 61.808 61.300 0.019 0.000 1.374 384 I CB -0.191 37.816 38.000 0.011 0.000 1.057 384 I HN 0.018 nan 8.210 nan 0.000 0.413 385 V N 0.862 120.821 119.914 0.075 0.000 2.358 385 V HA -0.254 3.866 4.120 0.001 0.000 0.246 385 V C 2.387 178.547 176.094 0.110 0.000 1.047 385 V CA 1.593 63.936 62.300 0.073 0.000 1.035 385 V CB -0.418 31.447 31.823 0.069 0.000 0.658 385 V HN 0.350 nan 8.190 nan 0.000 0.452 386 L N -0.070 121.265 121.223 0.187 0.000 2.042 386 L HA -0.203 4.138 4.340 0.001 0.000 0.210 386 L C 2.649 179.688 176.870 0.283 0.000 1.076 386 L CA 1.777 56.782 54.840 0.275 0.000 0.749 386 L CB -0.649 41.640 42.059 0.383 0.000 0.893 386 L HN 0.381 nan 8.230 nan 0.000 0.432 387 A N -0.574 122.344 122.820 0.163 0.000 1.897 387 A HA -0.138 4.182 4.320 0.001 0.000 0.215 387 A C 2.115 179.657 177.584 -0.069 0.000 1.181 387 A CA 1.268 53.235 52.037 -0.116 0.000 0.620 387 A CB -0.231 18.385 19.000 -0.639 0.000 0.821 387 A HN 0.447 nan 8.150 nan 0.000 0.443 388 E N -0.799 119.372 120.200 -0.048 0.000 2.340 388 E HA -0.022 4.328 4.350 0.001 0.000 0.194 388 E C 1.314 177.916 176.600 0.003 0.000 0.996 388 E CA 0.740 57.119 56.400 -0.034 0.000 0.869 388 E CB 0.123 29.797 29.700 -0.043 0.000 0.835 388 E HN 0.726 nan 8.360 nan 0.000 0.493 389 E N 0.137 120.355 120.200 0.029 0.000 2.391 389 E HA 0.029 4.380 4.350 0.001 0.000 0.206 389 E C 1.850 178.483 176.600 0.053 0.000 0.851 389 E CA 0.171 56.592 56.400 0.036 0.000 1.059 389 E CB 0.897 30.619 29.700 0.037 0.000 1.065 389 E HN -0.029 nan 8.360 nan 0.000 0.512 390 V N 1.437 121.401 119.914 0.083 0.000 3.052 390 V HA -0.041 4.080 4.120 0.001 0.000 0.254 390 V C 0.449 176.607 176.094 0.106 0.000 1.100 390 V CA 0.376 62.741 62.300 0.108 0.000 1.112 390 V CB -0.444 31.474 31.823 0.158 0.000 0.738 390 V HN 0.297 nan 8.190 nan 0.000 0.469 391 N N 0.504 119.259 118.700 0.092 0.000 2.740 391 N HA -0.227 4.514 4.740 0.001 0.000 0.248 391 N C 0.839 176.411 175.510 0.103 0.000 1.062 391 N CA 1.235 54.329 53.050 0.074 0.000 0.704 391 N CB -1.064 37.452 38.487 0.049 0.000 0.968 391 N HN 0.760 nan 8.380 nan 0.000 0.547 392 I N -4.249 116.419 120.570 0.163 0.000 3.059 392 I HA 0.133 4.304 4.170 0.001 0.000 0.270 392 I C 1.893 178.108 176.117 0.165 0.000 1.238 392 I CA 1.198 62.575 61.300 0.129 0.000 1.478 392 I CB -0.097 37.932 38.000 0.048 0.000 1.097 392 I HN 0.049 nan 8.210 nan 0.000 0.455 393 G N 1.065 110.043 108.800 0.297 0.000 2.985 393 G HA2 0.036 3.997 3.960 0.001 0.000 0.209 393 G HA3 0.036 3.997 3.960 0.001 0.000 0.209 393 G C 1.564 176.539 174.900 0.124 0.000 1.165 393 G CA -0.264 45.025 45.100 0.315 0.000 0.776 393 G HN 0.190 nan 8.290 nan 0.000 0.541 394 R N -0.225 120.320 120.500 0.074 0.000 2.189 394 R HA 0.072 4.413 4.340 0.001 0.000 0.218 394 R C 0.060 176.384 176.300 0.039 0.000 1.074 394 R CA 0.317 56.443 56.100 0.042 0.000 0.991 394 R CB -0.020 30.300 30.300 0.034 0.000 0.883 394 R HN 0.264 nan 8.270 nan 0.000 0.457 395 V N 2.290 122.229 119.914 0.041 0.000 2.540 395 V HA 0.210 4.331 4.120 0.001 0.000 0.302 395 V C -0.124 175.986 176.094 0.026 0.000 1.035 395 V CA -1.045 61.273 62.300 0.029 0.000 0.873 395 V CB 2.204 34.038 31.823 0.018 0.000 0.992 395 V HN 0.126 nan 8.190 nan 0.000 0.428 396 N N 2.846 121.560 118.700 0.025 0.000 2.488 396 N HA 0.137 4.877 4.740 0.001 0.000 0.274 396 N C -0.107 175.400 175.510 -0.004 0.000 1.111 396 N CA -0.092 52.971 53.050 0.021 0.000 0.974 396 N CB 0.825 39.332 38.487 0.033 0.000 1.089 396 N HN 0.904 nan 8.380 nan 0.000 0.465 397 D N 1.584 121.973 120.400 -0.019 0.000 2.890 397 D HA -0.119 4.522 4.640 0.001 0.000 0.226 397 D C -1.499 174.774 176.300 -0.045 0.000 1.207 397 D CA -0.237 53.739 54.000 -0.041 0.000 0.764 397 D CB 0.153 40.930 40.800 -0.038 0.000 0.948 397 D HN 0.401 nan 8.370 nan 0.000 0.404 398 P HA -0.128 nan 4.420 nan 0.000 0.219 398 P C 1.134 178.418 177.300 -0.027 0.000 1.146 398 P CA 1.657 64.736 63.100 -0.035 0.000 0.808 398 P CB 0.087 31.763 31.700 -0.040 0.000 0.779 399 A N -0.142 122.660 122.820 -0.030 0.000 2.169 399 A HA 0.266 4.587 4.320 0.001 0.000 0.212 399 A C 1.533 179.088 177.584 -0.048 0.000 1.153 399 A CA 0.411 52.440 52.037 -0.013 0.000 0.756 399 A CB -1.318 17.689 19.000 0.012 0.000 0.813 399 A HN 0.263 nan 8.150 nan 0.000 0.471 400 G N -1.110 107.655 108.800 -0.057 0.000 2.202 400 G HA2 0.422 4.382 3.960 0.001 0.000 0.251 400 G HA3 0.422 4.382 3.960 0.001 0.000 0.251 400 G C 1.195 176.050 174.900 -0.075 0.000 1.219 400 G CA 0.213 45.272 45.100 -0.069 0.000 0.943 400 G HN 1.500 nan 8.290 nan 0.000 0.465 401 G N 1.217 109.975 108.800 -0.070 0.000 2.234 401 G HA2 -0.220 3.741 3.960 0.001 0.000 0.235 401 G HA3 -0.220 3.741 3.960 0.001 0.000 0.235 401 G C 0.950 175.783 174.900 -0.111 0.000 0.997 401 G CA 0.771 45.835 45.100 -0.061 0.000 0.623 401 G HN 1.907 nan 8.290 nan 0.000 0.514 402 S N 0.561 116.173 115.700 -0.145 0.000 2.544 402 S HA 0.328 4.799 4.470 0.001 0.000 0.290 402 S C 1.696 176.223 174.600 -0.123 0.000 1.276 402 S CA 0.506 58.575 58.200 -0.219 0.000 1.075 402 S CB 0.225 63.343 63.200 -0.136 0.000 0.849 402 S HN 0.386 nan 8.310 nan 0.000 0.494 403 Y N 4.638 124.925 120.300 -0.022 0.000 2.097 403 Y HA -0.121 4.429 4.550 0.001 0.000 0.282 403 Y C 2.139 177.988 175.900 -0.085 0.000 1.152 403 Y CA 1.764 59.863 58.100 -0.001 0.000 1.136 403 Y CB -1.665 36.835 38.460 0.066 0.000 0.975 403 Y HN 0.920 nan 8.280 nan 0.000 0.498 404 Y N 0.728 120.911 120.300 -0.195 0.000 2.070 404 Y HA -0.227 4.323 4.550 0.001 0.000 0.280 404 Y C 2.470 178.063 175.900 -0.511 0.000 1.148 404 Y CA 1.343 59.031 58.100 -0.687 0.000 1.125 404 Y CB -0.948 37.203 38.460 -0.515 0.000 0.975 404 Y HN -0.071 nan 8.280 nan 0.000 0.492 405 V N 0.987 120.636 119.914 -0.442 0.000 2.332 405 V HA -0.267 3.853 4.120 0.001 0.000 0.248 405 V C 2.459 178.403 176.094 -0.250 0.000 1.055 405 V CA 2.241 64.294 62.300 -0.412 0.000 1.038 405 V CB -0.614 31.078 31.823 -0.217 0.000 0.651 405 V HN 0.365 nan 8.190 nan 0.000 0.450 406 E N -0.048 120.062 120.200 -0.151 0.000 2.047 406 E HA -0.184 4.167 4.350 0.001 0.000 0.191 406 E C 2.485 179.031 176.600 -0.089 0.000 0.987 406 E CA 1.600 57.949 56.400 -0.086 0.000 0.799 406 E CB -0.630 29.056 29.700 -0.022 0.000 0.752 406 E HN 0.548 nan 8.360 nan 0.000 0.449 407 S N 0.875 116.510 115.700 -0.107 0.000 2.353 407 S HA -0.173 4.298 4.470 0.001 0.000 0.222 407 S C 2.031 176.574 174.600 -0.096 0.000 1.035 407 S CA 1.208 59.365 58.200 -0.072 0.000 1.025 407 S CB -0.258 62.900 63.200 -0.070 0.000 0.902 407 S HN 0.173 nan 8.310 nan 0.000 0.440 408 L N 1.416 122.517 121.223 -0.203 0.000 2.131 408 L HA -0.028 4.312 4.340 0.001 0.000 0.210 408 L C 2.396 179.202 176.870 -0.107 0.000 1.092 408 L CA 2.208 56.953 54.840 -0.158 0.000 0.759 408 L CB -1.223 40.662 42.059 -0.290 0.000 0.903 408 L HN 0.321 nan 8.230 nan 0.000 0.435 409 T N -0.844 113.640 114.554 -0.116 0.000 2.674 409 T HA -0.172 4.178 4.350 0.001 0.000 0.265 409 T C 2.043 176.715 174.700 -0.045 0.000 1.039 409 T CA 1.264 63.317 62.100 -0.079 0.000 1.150 409 T CB -0.239 68.582 68.868 -0.077 0.000 0.864 409 T HN 0.147 nan 8.240 nan 0.000 0.427 410 R N 1.418 121.896 120.500 -0.038 0.000 2.083 410 R HA 0.016 4.357 4.340 0.001 0.000 0.237 410 R C 2.702 179.004 176.300 0.003 0.000 1.137 410 R CA 1.523 57.612 56.100 -0.018 0.000 0.951 410 R CB -1.241 29.052 30.300 -0.011 0.000 0.851 410 R HN 0.301 nan 8.270 nan 0.000 0.434 411 S N 0.796 116.504 115.700 0.013 0.000 2.359 411 S HA -0.096 4.375 4.470 0.001 0.000 0.224 411 S C 1.989 176.611 174.600 0.036 0.000 1.035 411 S CA 1.370 59.592 58.200 0.037 0.000 1.018 411 S CB -0.231 63.001 63.200 0.054 0.000 0.876 411 S HN 0.276 nan 8.310 nan 0.000 0.448 412 L N 0.737 121.970 121.223 0.015 0.000 2.093 412 L HA -0.092 4.249 4.340 0.001 0.000 0.208 412 L C 2.751 179.640 176.870 0.033 0.000 1.085 412 L CA 1.045 55.892 54.840 0.013 0.000 0.755 412 L CB -0.710 41.340 42.059 -0.015 0.000 0.904 412 L HN 0.321 nan 8.230 nan 0.000 0.435 413 A N 0.276 123.115 122.820 0.031 0.000 1.845 413 A HA -0.230 4.091 4.320 0.001 0.000 0.215 413 A C 1.915 179.574 177.584 0.125 0.000 1.195 413 A CA 1.985 54.059 52.037 0.062 0.000 0.616 413 A CB -0.615 18.388 19.000 0.005 0.000 0.832 413 A HN 0.333 nan 8.150 nan 0.000 0.443 414 D N 0.161 120.613 120.400 0.087 0.000 2.123 414 D HA -0.095 4.546 4.640 0.001 0.000 0.196 414 D C 2.160 178.563 176.300 0.171 0.000 0.992 414 D CA 1.728 55.805 54.000 0.128 0.000 0.833 414 D CB -0.499 40.346 40.800 0.076 0.000 0.954 414 D HN 0.438 nan 8.370 nan 0.000 0.455 415 A N 0.725 123.617 122.820 0.120 0.000 1.929 415 A HA 0.087 4.408 4.320 0.001 0.000 0.216 415 A C 2.257 179.908 177.584 0.111 0.000 1.176 415 A CA 1.849 53.947 52.037 0.103 0.000 0.628 415 A CB -0.504 18.533 19.000 0.062 0.000 0.816 415 A HN 0.232 nan 8.150 nan 0.000 0.444 416 A N -1.714 121.174 122.820 0.113 0.000 2.014 416 A HA -0.081 4.240 4.320 0.001 0.000 0.218 416 A C 2.036 179.753 177.584 0.222 0.000 1.163 416 A CA 0.975 53.068 52.037 0.093 0.000 0.652 416 A CB -0.706 18.317 19.000 0.039 0.000 0.808 416 A HN 0.821 nan 8.150 nan 0.000 0.449 417 W N 1.013 122.385 121.300 0.119 0.000 2.381 417 W HA -0.125 4.536 4.660 0.001 0.000 0.301 417 W C 2.058 178.700 176.519 0.204 0.000 1.205 417 W CA 1.872 59.352 57.345 0.225 0.000 1.285 417 W CB -0.123 29.437 29.460 0.166 0.000 1.133 417 W HN 0.362 nan 8.180 nan 0.000 0.521 418 K N 0.665 121.232 120.400 0.278 0.000 2.097 418 K HA -0.267 4.053 4.320 0.001 0.000 0.206 418 K C 1.868 178.526 176.600 0.097 0.000 1.049 418 K CA 1.981 58.360 56.287 0.153 0.000 0.933 418 K CB -0.243 32.345 32.500 0.147 0.000 0.717 418 K HN -0.052 nan 8.250 nan 0.000 0.442 419 E N 0.236 120.510 120.200 0.124 0.000 2.107 419 E HA -0.171 4.179 4.350 0.001 0.000 0.191 419 E C 1.668 178.390 176.600 0.204 0.000 0.982 419 E CA 0.903 57.396 56.400 0.156 0.000 0.809 419 E CB -0.382 29.380 29.700 0.104 0.000 0.756 419 E HN 0.301 nan 8.360 nan 0.000 0.459 420 F N 1.486 121.410 119.950 -0.043 0.000 2.102 420 F HA -0.136 4.392 4.527 0.002 0.000 0.298 420 F C 1.984 177.661 175.800 -0.204 0.000 1.105 420 F CA 1.950 59.869 58.000 -0.136 0.000 1.239 420 F CB -0.813 37.989 39.000 -0.329 0.000 0.991 420 F HN 0.090 nan 8.300 nan 0.000 0.474 421 Q N -0.098 119.470 119.800 -0.387 0.000 2.030 421 Q HA -0.219 4.122 4.340 0.001 0.000 0.204 421 Q C 2.308 178.173 176.000 -0.225 0.000 0.986 421 Q CA 2.291 57.844 55.803 -0.416 0.000 0.843 421 Q CB -0.645 27.925 28.738 -0.280 0.000 0.904 421 Q HN 0.413 nan 8.270 nan 0.000 0.420 422 E N -0.171 119.970 120.200 -0.097 0.000 2.070 422 E HA -0.174 4.177 4.350 0.001 0.000 0.197 422 E C 2.066 178.564 176.600 -0.170 0.000 1.004 422 E CA 1.236 57.587 56.400 -0.081 0.000 0.805 422 E CB -0.503 29.211 29.700 0.023 0.000 0.744 422 E HN 0.331 nan 8.360 nan 0.000 0.451 423 V N 1.235 121.069 119.914 -0.135 0.000 2.343 423 V HA -0.197 3.924 4.120 0.001 0.000 0.247 423 V C 2.578 178.575 176.094 -0.161 0.000 1.051 423 V CA 2.097 64.294 62.300 -0.171 0.000 1.036 423 V CB -0.513 31.331 31.823 0.034 0.000 0.654 423 V HN 0.408 nan 8.190 nan 0.000 0.451 424 E N 0.097 120.179 120.200 -0.196 0.000 2.072 424 E HA -0.247 4.103 4.350 0.001 0.000 0.191 424 E C 2.223 178.713 176.600 -0.182 0.000 0.985 424 E CA 1.184 57.446 56.400 -0.230 0.000 0.801 424 E CB -0.178 29.263 29.700 -0.431 0.000 0.750 424 E HN 0.425 nan 8.360 nan 0.000 0.452 425 K N 1.144 121.437 120.400 -0.179 0.000 2.152 425 K HA -0.078 4.242 4.320 0.001 0.000 0.206 425 K C 1.990 178.522 176.600 -0.114 0.000 1.048 425 K CA 0.754 56.961 56.287 -0.134 0.000 0.933 425 K CB -0.222 32.207 32.500 -0.119 0.000 0.721 425 K HN 0.057 nan 8.250 nan 0.000 0.447 426 L N -1.593 119.549 121.223 -0.136 0.000 2.554 426 L HA 0.159 4.500 4.340 0.001 0.000 0.226 426 L C 1.150 177.962 176.870 -0.097 0.000 1.137 426 L CA 0.562 55.325 54.840 -0.128 0.000 0.863 426 L CB 0.132 42.070 42.059 -0.201 0.000 0.985 426 L HN 0.562 nan 8.230 nan 0.000 0.451 427 G N -1.092 107.655 108.800 -0.088 0.000 2.205 427 G HA2 0.075 4.036 3.960 0.001 0.000 0.180 427 G HA3 0.075 4.036 3.960 0.001 0.000 0.180 427 G C 0.472 175.345 174.900 -0.045 0.000 1.004 427 G CA -0.365 44.700 45.100 -0.057 0.000 0.670 427 G HN 0.747 nan 8.290 nan 0.000 0.496 428 G N -1.671 107.091 108.800 -0.062 0.000 2.541 428 G HA2 0.246 4.206 3.960 0.001 0.000 0.686 428 G HA3 0.246 4.206 3.960 0.001 0.000 0.686 428 G C 0.470 175.345 174.900 -0.041 0.000 1.286 428 G CA 0.300 45.385 45.100 -0.025 0.000 0.894 428 G HN 1.238 nan 8.290 nan 0.000 0.575 429 M N 0.631 120.217 119.600 -0.023 0.000 2.213 429 M HA 0.039 4.520 4.480 0.001 0.000 0.263 429 M C 2.578 178.840 176.300 -0.063 0.000 1.062 429 M CA 2.926 58.183 55.300 -0.073 0.000 1.105 429 M CB -0.640 31.916 32.600 -0.073 0.000 1.385 429 M HN 0.645 nan 8.290 nan 0.000 0.417 430 S N -0.100 115.593 115.700 -0.013 0.000 2.348 430 S HA -0.125 4.345 4.470 0.001 0.000 0.221 430 S C 1.943 176.535 174.600 -0.014 0.000 1.033 430 S CA 1.058 59.265 58.200 0.012 0.000 1.010 430 S CB -0.229 62.998 63.200 0.046 0.000 0.891 430 S HN 0.356 nan 8.310 nan 0.000 0.442 431 K N 1.821 122.206 120.400 -0.024 0.000 2.009 431 K HA 0.035 4.356 4.320 0.001 0.000 0.210 431 K C 2.365 178.930 176.600 -0.059 0.000 1.049 431 K CA 1.421 57.687 56.287 -0.036 0.000 0.929 431 K CB -1.139 31.335 32.500 -0.042 0.000 0.714 431 K HN 0.321 nan 8.250 nan 0.000 0.440 432 A N 0.994 123.755 122.820 -0.098 0.000 1.896 432 A HA -0.208 4.112 4.320 0.001 0.000 0.220 432 A C 2.545 180.057 177.584 -0.121 0.000 1.206 432 A CA 2.471 54.435 52.037 -0.122 0.000 0.647 432 A CB -0.959 17.912 19.000 -0.216 0.000 0.828 432 A HN 0.103 nan 8.150 nan 0.000 0.455 433 V N -0.420 119.414 119.914 -0.133 0.000 2.358 433 V HA -0.303 3.817 4.120 0.001 0.000 0.246 433 V C 2.648 178.713 176.094 -0.048 0.000 1.047 433 V CA 2.279 64.524 62.300 -0.091 0.000 1.035 433 V CB -0.671 31.129 31.823 -0.038 0.000 0.658 433 V HN 0.584 nan 8.190 nan 0.000 0.452 434 M N -0.968 118.613 119.600 -0.032 0.000 2.200 434 M HA -0.066 4.414 4.480 0.001 0.000 0.265 434 M C 1.453 177.743 176.300 -0.016 0.000 1.066 434 M CA 1.228 56.517 55.300 -0.018 0.000 1.127 434 M CB -0.493 32.102 32.600 -0.008 0.000 1.379 434 M HN 0.317 nan 8.290 nan 0.000 0.420 435 T N -0.192 114.353 114.554 -0.014 0.000 2.885 435 T HA -0.025 4.325 4.350 0.001 0.000 0.356 435 T C 1.015 175.719 174.700 0.007 0.000 1.137 435 T CA -0.050 62.050 62.100 -0.000 0.000 1.014 435 T CB 0.428 69.296 68.868 0.000 0.000 1.410 435 T HN 0.082 nan 8.240 nan 0.000 0.532 436 E N -0.983 119.232 120.200 0.026 0.000 2.474 436 E HA 0.102 4.452 4.350 0.001 0.000 0.194 436 E C 1.523 178.141 176.600 0.030 0.000 1.041 436 E CA 0.312 56.727 56.400 0.025 0.000 0.874 436 E CB -0.301 29.417 29.700 0.030 0.000 0.914 436 E HN 0.572 nan 8.360 nan 0.000 0.498 437 H N -0.176 118.863 119.070 -0.052 0.000 2.252 437 H HA -0.146 4.410 4.556 0.001 0.000 0.292 437 H C 1.818 177.098 175.328 -0.080 0.000 1.082 437 H CA 2.395 58.407 56.048 -0.058 0.000 1.229 437 H CB -0.273 29.424 29.762 -0.107 0.000 1.353 437 H HN 0.004 nan 8.280 nan 0.000 0.488 438 V N -0.419 119.331 119.914 -0.274 0.000 2.233 438 V HA -0.327 3.794 4.120 0.001 0.000 0.247 438 V C 2.504 178.554 176.094 -0.074 0.000 1.050 438 V CA 2.469 64.512 62.300 -0.428 0.000 1.010 438 V CB -0.972 30.574 31.823 -0.462 0.000 0.637 438 V HN 0.582 nan 8.190 nan 0.000 0.444 439 T N -0.501 114.034 114.554 -0.032 0.000 2.665 439 T HA -0.304 4.046 4.350 0.001 0.000 0.268 439 T C 1.950 176.665 174.700 0.025 0.000 1.035 439 T CA 2.130 64.245 62.100 0.025 0.000 1.151 439 T CB -0.271 68.606 68.868 0.015 0.000 0.862 439 T HN 0.481 nan 8.240 nan 0.000 0.438 440 K N 0.568 120.960 120.400 -0.014 0.000 2.057 440 K HA -0.073 4.247 4.320 0.001 0.000 0.207 440 K C 2.195 178.797 176.600 0.004 0.000 1.049 440 K CA 1.014 57.297 56.287 -0.008 0.000 0.931 440 K CB -0.228 32.261 32.500 -0.018 0.000 0.714 440 K HN 0.154 nan 8.250 nan 0.000 0.440 441 V N 1.670 121.586 119.914 0.003 0.000 2.307 441 V HA -0.238 3.883 4.120 0.001 0.000 0.245 441 V C 2.332 178.493 176.094 0.113 0.000 1.045 441 V CA 1.541 63.883 62.300 0.071 0.000 1.024 441 V CB -0.352 31.587 31.823 0.193 0.000 0.651 441 V HN 0.327 nan 8.190 nan 0.000 0.449 442 L N -0.154 121.185 121.223 0.192 0.000 2.042 442 L HA -0.205 4.135 4.340 0.001 0.000 0.210 442 L C 2.425 179.356 176.870 0.102 0.000 1.076 442 L CA 1.661 56.606 54.840 0.174 0.000 0.749 442 L CB -0.768 41.431 42.059 0.234 0.000 0.893 442 L HN 0.360 nan 8.230 nan 0.000 0.432 443 D N 0.132 120.580 120.400 0.079 0.000 2.117 443 D HA -0.161 4.479 4.640 0.001 0.000 0.197 443 D C 2.196 178.521 176.300 0.041 0.000 0.987 443 D CA 1.545 55.578 54.000 0.056 0.000 0.829 443 D CB -0.026 40.800 40.800 0.042 0.000 0.961 443 D HN 0.330 nan 8.370 nan 0.000 0.460 444 A N 0.100 122.942 122.820 0.036 0.000 1.969 444 A HA -0.132 4.189 4.320 0.001 0.000 0.218 444 A C 2.498 180.096 177.584 0.022 0.000 1.169 444 A CA 0.959 53.011 52.037 0.025 0.000 0.635 444 A CB -0.751 18.262 19.000 0.021 0.000 0.810 444 A HN 0.321 nan 8.150 nan 0.000 0.445 445 C N -0.440 118.875 119.300 0.024 0.000 2.476 445 C HA -0.035 4.426 4.460 0.001 0.000 0.278 445 C C 2.651 177.652 174.990 0.019 0.000 1.274 445 C CA 1.005 60.032 59.018 0.015 0.000 1.713 445 C CB -1.277 26.467 27.740 0.006 0.000 2.039 445 C HN 0.628 nan 8.230 nan 0.000 0.484 446 N N 1.260 119.978 118.700 0.030 0.000 2.166 446 N HA -0.067 4.674 4.740 0.001 0.000 0.186 446 N C 1.780 177.301 175.510 0.018 0.000 1.019 446 N CA 1.642 54.710 53.050 0.030 0.000 0.856 446 N CB -0.440 38.078 38.487 0.053 0.000 0.993 446 N HN 0.549 nan 8.380 nan 0.000 0.426 447 A N 0.662 123.493 122.820 0.018 0.000 1.929 447 A HA -0.092 4.228 4.320 0.001 0.000 0.216 447 A C 2.201 179.791 177.584 0.010 0.000 1.176 447 A CA 1.368 53.411 52.037 0.011 0.000 0.628 447 A CB -0.361 18.647 19.000 0.013 0.000 0.816 447 A HN 0.223 nan 8.150 nan 0.000 0.444 448 E N 0.309 120.517 120.200 0.015 0.000 2.047 448 E HA -0.163 4.187 4.350 0.001 0.000 0.191 448 E C 2.160 178.773 176.600 0.021 0.000 0.987 448 E CA 1.536 57.947 56.400 0.018 0.000 0.799 448 E CB -0.308 29.404 29.700 0.020 0.000 0.752 448 E HN 0.525 nan 8.360 nan 0.000 0.449 449 R N -0.382 120.130 120.500 0.020 0.000 2.096 449 R HA -0.058 4.283 4.340 0.001 0.000 0.235 449 R C 2.151 178.460 176.300 0.014 0.000 1.127 449 R CA 1.253 57.367 56.100 0.022 0.000 0.968 449 R CB -0.348 29.961 30.300 0.016 0.000 0.861 449 R HN 0.248 nan 8.270 nan 0.000 0.440 450 A N 1.300 124.119 122.820 -0.002 0.000 1.933 450 A HA -0.172 4.148 4.320 0.001 0.000 0.218 450 A C 2.055 179.628 177.584 -0.017 0.000 1.175 450 A CA 1.269 53.292 52.037 -0.024 0.000 0.628 450 A CB -0.436 18.541 19.000 -0.038 0.000 0.814 450 A HN 0.164 nan 8.150 nan 0.000 0.444 451 K N 0.037 120.436 120.400 -0.002 0.000 2.002 451 K HA -0.099 4.221 4.320 0.001 0.000 0.209 451 K C 2.224 178.835 176.600 0.019 0.000 1.048 451 K CA 1.500 57.791 56.287 0.006 0.000 0.930 451 K CB -0.316 32.191 32.500 0.012 0.000 0.714 451 K HN 0.499 nan 8.250 nan 0.000 0.438 452 R N 0.258 120.776 120.500 0.030 0.000 2.081 452 R HA -0.048 4.292 4.340 0.001 0.000 0.235 452 R C 2.541 178.876 176.300 0.059 0.000 1.131 452 R CA 1.162 57.287 56.100 0.042 0.000 0.960 452 R CB -0.275 30.054 30.300 0.048 0.000 0.856 452 R HN 0.160 nan 8.270 nan 0.000 0.436 453 L N -0.123 121.145 121.223 0.075 0.000 2.056 453 L HA -0.112 4.229 4.340 0.001 0.000 0.207 453 L C 2.635 179.637 176.870 0.220 0.000 1.078 453 L CA 1.191 56.126 54.840 0.158 0.000 0.749 453 L CB -0.472 41.668 42.059 0.135 0.000 0.901 453 L HN 0.227 nan 8.230 nan 0.000 0.433 454 A N 1.106 123.976 122.820 0.083 0.000 1.930 454 A HA -0.183 4.137 4.320 0.001 0.000 0.217 454 A C 1.851 179.458 177.584 0.038 0.000 1.175 454 A CA 1.858 53.925 52.037 0.050 0.000 0.627 454 A CB -0.610 18.372 19.000 -0.031 0.000 0.815 454 A HN 0.641 nan 8.150 nan 0.000 0.443 455 N N -1.667 117.045 118.700 0.019 0.000 2.336 455 N HA 0.012 4.752 4.740 0.001 0.000 0.189 455 N C 0.377 175.877 175.510 -0.017 0.000 1.113 455 N CA 0.346 53.387 53.050 -0.014 0.000 0.858 455 N CB -0.289 38.196 38.487 -0.004 0.000 0.970 455 N HN 0.448 nan 8.380 nan 0.000 0.471 456 R N -0.714 119.788 120.500 0.004 0.000 3.651 456 R HA -0.158 4.183 4.340 0.001 0.000 0.292 456 R C 0.263 176.556 176.300 -0.011 0.000 1.161 456 R CA 0.956 57.042 56.100 -0.022 0.000 0.787 456 R CB -1.818 28.423 30.300 -0.097 0.000 1.249 456 R HN 0.350 nan 8.270 nan 0.000 0.476 457 K N 0.547 120.955 120.400 0.014 0.000 2.365 457 K HA -0.045 4.275 4.320 0.001 0.000 0.197 457 K C 0.904 177.520 176.600 0.026 0.000 1.042 457 K CA 0.682 56.982 56.287 0.023 0.000 0.987 457 K CB 0.252 32.772 32.500 0.034 0.000 0.779 457 K HN 0.212 nan 8.250 nan 0.000 0.484 458 Q N 1.339 121.157 119.800 0.031 0.000 2.907 458 Q HA 0.187 4.527 4.340 0.001 0.000 0.262 458 Q C -2.635 173.381 176.000 0.027 0.000 0.997 458 Q CA -2.270 53.556 55.803 0.039 0.000 0.797 458 Q CB 1.210 29.989 28.738 0.068 0.000 1.228 458 Q HN -0.080 nan 8.270 nan 0.000 0.466 459 P HA 0.187 nan 4.420 nan 0.000 0.274 459 P C -0.538 176.726 177.300 -0.061 0.000 1.246 459 P CA -0.086 62.974 63.100 -0.067 0.000 0.795 459 P CB 1.320 32.969 31.700 -0.086 0.000 1.006 460 I N 0.603 121.102 120.570 -0.117 0.000 2.439 460 I HA 0.148 4.318 4.170 0.001 0.000 0.283 460 I C 0.320 176.373 176.117 -0.107 0.000 1.023 460 I CA -0.546 60.706 61.300 -0.080 0.000 1.100 460 I CB 1.508 39.471 38.000 -0.061 0.000 1.238 460 I HN 0.139 nan 8.210 nan 0.000 0.445 461 T N 5.503 120.025 114.554 -0.054 0.000 2.871 461 T HA 0.140 4.490 4.350 0.001 0.000 0.296 461 T C 1.089 175.776 174.700 -0.021 0.000 0.998 461 T CA 0.895 62.979 62.100 -0.027 0.000 1.162 461 T CB 0.606 69.470 68.868 -0.007 0.000 0.947 461 T HN 0.940 nan 8.240 nan 0.000 0.536 462 A N 2.589 125.403 122.820 -0.010 0.000 2.979 462 A HA -0.160 4.160 4.320 0.001 0.000 0.260 462 A C 1.258 178.816 177.584 -0.043 0.000 1.282 462 A CA 1.301 53.339 52.037 0.002 0.000 0.971 462 A CB -2.143 16.874 19.000 0.029 0.000 1.124 462 A HN 0.683 nan 8.150 nan 0.000 0.826 463 V N -1.153 118.684 119.914 -0.128 0.000 3.278 463 V HA 0.093 4.214 4.120 0.001 0.000 0.215 463 V C 2.220 178.054 176.094 -0.434 0.000 1.287 463 V CA 1.640 63.818 62.300 -0.203 0.000 1.302 463 V CB 0.585 32.304 31.823 -0.172 0.000 1.228 463 V HN 1.231 nan 8.190 nan 0.000 0.523 464 S N -1.258 114.091 115.700 -0.584 0.000 2.502 464 S HA 0.213 4.683 4.470 0.001 0.000 0.215 464 S C 0.449 174.769 174.600 -0.467 0.000 1.009 464 S CA 0.027 57.785 58.200 -0.736 0.000 0.908 464 S CB 0.265 62.864 63.200 -1.001 0.000 0.801 464 S HN 0.423 nan 8.310 nan 0.000 0.505 465 E N 1.007 121.002 120.200 -0.341 0.000 2.224 465 E HA 0.427 4.777 4.350 0.001 0.000 0.265 465 E C -1.096 175.390 176.600 -0.190 0.000 0.878 465 E CA -0.935 55.249 56.400 -0.360 0.000 0.759 465 E CB 1.113 30.672 29.700 -0.235 0.000 1.164 465 E HN 0.272 nan 8.360 nan 0.000 0.414 466 F N 1.150 121.023 119.950 -0.129 0.000 2.738 466 F HA -0.217 4.311 4.527 0.001 0.000 0.232 466 F C -1.807 173.968 175.800 -0.043 0.000 1.025 466 F CA 0.104 58.061 58.000 -0.071 0.000 0.895 466 F CB -1.443 37.526 39.000 -0.051 0.000 0.839 466 F HN 0.227 nan 8.300 nan 0.000 0.850 467 P HA 0.405 nan 4.420 nan 0.000 0.278 467 P C -0.364 176.991 177.300 0.091 0.000 1.266 467 P CA -0.655 62.477 63.100 0.053 0.000 0.807 467 P CB 1.460 33.162 31.700 0.005 0.000 1.094 468 M N 1.354 120.983 119.600 0.048 0.000 2.151 468 M HA 0.383 4.863 4.480 0.001 0.000 0.290 468 M C -0.955 175.335 176.300 -0.016 0.000 0.965 468 M CA -0.835 54.471 55.300 0.010 0.000 0.930 468 M CB 0.846 33.453 32.600 0.013 0.000 1.560 468 M HN 0.138 nan 8.290 nan 0.000 0.438 469 I N 5.057 125.581 120.570 -0.076 0.000 2.668 469 I HA 0.160 4.330 4.170 0.001 0.000 0.285 469 I C 1.249 177.348 176.117 -0.031 0.000 1.168 469 I CA 1.200 62.467 61.300 -0.054 0.000 1.424 469 I CB 0.391 38.330 38.000 -0.101 0.000 1.377 469 I HN 1.084 nan 8.210 nan 0.000 0.560 470 G N 4.440 113.240 108.800 -0.001 0.000 2.137 470 G HA2 -0.174 3.787 3.960 0.001 0.000 0.237 470 G HA3 -0.174 3.787 3.960 0.001 0.000 0.237 470 G C 0.358 175.270 174.900 0.021 0.000 1.002 470 G CA -0.149 44.957 45.100 0.009 0.000 0.702 470 G HN 1.031 nan 8.290 nan 0.000 0.515 471 A N 0.145 122.983 122.820 0.030 0.000 2.546 471 A HA 0.538 4.859 4.320 0.001 0.000 0.243 471 A C 1.076 178.704 177.584 0.073 0.000 1.063 471 A CA 0.814 52.878 52.037 0.045 0.000 0.757 471 A CB 0.130 19.165 19.000 0.057 0.000 0.991 471 A HN 1.070 nan 8.150 nan 0.000 0.503 472 R N 2.194 122.737 120.500 0.072 0.000 2.619 472 R HA 0.163 4.503 4.340 0.001 0.000 0.268 472 R C 0.342 176.776 176.300 0.223 0.000 0.990 472 R CA 1.021 57.188 56.100 0.112 0.000 1.092 472 R CB 0.204 30.537 30.300 0.054 0.000 0.935 472 R HN 0.790 nan 8.270 nan 0.000 0.415 473 S N 2.817 118.650 115.700 0.221 0.000 2.837 473 S HA 0.704 5.174 4.470 0.001 0.000 0.314 473 S C -0.879 173.881 174.600 0.267 0.000 1.098 473 S CA -0.985 57.352 58.200 0.228 0.000 0.903 473 S CB 0.982 64.254 63.200 0.122 0.000 1.310 473 S HN 0.584 nan 8.310 nan 0.000 0.581 474 I N 0.706 121.370 120.570 0.156 0.000 2.894 474 I HA 0.459 4.630 4.170 0.001 0.000 0.302 474 I C -1.104 175.034 176.117 0.036 0.000 1.188 474 I CA -0.655 60.729 61.300 0.140 0.000 1.014 474 I CB 1.883 39.968 38.000 0.143 0.000 1.242 474 I HN 0.549 nan 8.210 nan 0.000 0.430 475 E N 3.974 124.197 120.200 0.038 0.000 2.338 475 E HA 0.353 4.704 4.350 0.001 0.000 0.272 475 E C -0.712 175.856 176.600 -0.054 0.000 1.029 475 E CA 0.008 56.404 56.400 -0.006 0.000 0.872 475 E CB 1.451 31.155 29.700 0.007 0.000 1.015 475 E HN 0.652 nan 8.360 nan 0.000 0.417 476 T N -0.568 113.927 114.554 -0.099 0.000 2.864 476 T HA 0.507 4.857 4.350 0.001 0.000 0.299 476 T C -0.402 174.194 174.700 -0.174 0.000 1.166 476 T CA -1.186 60.816 62.100 -0.164 0.000 1.007 476 T CB 1.447 70.169 68.868 -0.243 0.000 1.219 476 T HN 0.162 nan 8.240 nan 0.000 0.506 477 K N 1.884 122.150 120.400 -0.223 0.000 2.227 477 K HA 0.476 4.797 4.320 0.001 0.000 0.280 477 K C -2.639 173.803 176.600 -0.262 0.000 1.041 477 K CA -1.971 54.189 56.287 -0.211 0.000 0.905 477 K CB 0.472 32.829 32.500 -0.239 0.000 1.068 477 K HN 0.366 nan 8.250 nan 0.000 0.470 478 P HA -0.071 nan 4.420 nan 0.000 0.266 478 P C -0.674 176.543 177.300 -0.139 0.000 1.193 478 P CA 0.108 63.111 63.100 -0.161 0.000 0.770 478 P CB 0.302 31.969 31.700 -0.055 0.000 0.836 479 F N 2.692 122.638 119.950 -0.007 0.000 2.443 479 F HA 0.240 4.768 4.527 0.001 0.000 0.353 479 F C -1.190 174.604 175.800 -0.009 0.000 1.101 479 F CA -1.718 56.280 58.000 -0.003 0.000 1.226 479 F CB -1.017 37.999 39.000 0.027 0.000 1.140 479 F HN 0.223 nan 8.300 nan 0.000 0.557 480 P HA 0.161 nan 4.420 nan 0.000 0.266 480 P C -0.747 176.596 177.300 0.072 0.000 1.195 480 P CA -0.401 62.751 63.100 0.087 0.000 0.768 480 P CB 0.330 32.060 31.700 0.049 0.000 0.838 481 A N 2.455 125.294 122.820 0.032 0.000 2.555 481 A HA 0.405 4.725 4.320 0.001 0.000 0.233 481 A C 0.443 178.009 177.584 -0.030 0.000 1.060 481 A CA 0.421 52.465 52.037 0.011 0.000 0.759 481 A CB -0.427 18.570 19.000 -0.005 0.000 0.995 481 A HN 0.628 nan 8.150 nan 0.000 0.506 482 A N 3.574 126.373 122.820 -0.034 0.000 2.318 482 A HA 0.707 5.028 4.320 0.001 0.000 0.324 482 A C -2.381 175.146 177.584 -0.094 0.000 1.170 482 A CA -1.642 50.353 52.037 -0.070 0.000 0.810 482 A CB 0.149 19.139 19.000 -0.017 0.000 1.198 482 A HN 0.712 nan 8.150 nan 0.000 0.484 483 P HA 0.334 nan 4.420 nan 0.000 0.267 483 P C 0.278 177.547 177.300 -0.052 0.000 1.209 483 P CA 0.145 63.114 63.100 -0.218 0.000 0.763 483 P CB 0.574 31.997 31.700 -0.461 0.000 0.816 484 A N 4.982 127.783 122.820 -0.032 0.000 2.547 484 A HA 0.109 4.430 4.320 0.001 0.000 0.233 484 A C 0.500 178.090 177.584 0.009 0.000 1.067 484 A CA 0.362 52.392 52.037 -0.013 0.000 0.763 484 A CB -0.081 18.905 19.000 -0.022 0.000 1.007 484 A HN 0.578 nan 8.150 nan 0.000 0.506 485 R N 0.379 120.852 120.500 -0.045 0.000 2.803 485 R HA 0.419 4.760 4.340 0.001 0.000 0.276 485 R C 0.152 176.380 176.300 -0.120 0.000 0.978 485 R CA -0.868 55.168 56.100 -0.107 0.000 0.939 485 R CB 1.764 31.911 30.300 -0.255 0.000 1.179 485 R HN 0.753 nan 8.270 nan 0.000 0.472 486 K N 0.371 120.690 120.400 -0.134 0.000 2.354 486 K HA 0.123 4.443 4.320 0.001 0.000 0.194 486 K C 1.002 177.528 176.600 -0.122 0.000 1.038 486 K CA 0.107 56.331 56.287 -0.105 0.000 1.052 486 K CB 1.049 33.499 32.500 -0.083 0.000 0.861 486 K HN 0.721 nan 8.250 nan 0.000 0.535 487 G N 1.298 109.987 108.800 -0.185 0.000 2.504 487 G HA2 0.215 4.176 3.960 0.001 0.000 0.257 487 G HA3 0.215 4.176 3.960 0.001 0.000 0.257 487 G C -0.018 174.788 174.900 -0.156 0.000 1.451 487 G CA -0.733 44.257 45.100 -0.183 0.000 1.059 487 G HN 0.072 nan 8.290 nan 0.000 0.550 488 L N 0.731 121.874 121.223 -0.134 0.000 2.678 488 L HA 0.159 4.499 4.340 0.001 0.000 0.285 488 L C 1.196 178.018 176.870 -0.080 0.000 1.233 488 L CA -0.325 54.486 54.840 -0.048 0.000 0.920 488 L CB -0.381 41.695 42.059 0.028 0.000 1.176 488 L HN 0.509 nan 8.230 nan 0.000 0.495 489 A N 4.621 127.449 122.820 0.014 0.000 2.407 489 A HA 0.325 4.645 4.320 0.001 0.000 0.248 489 A C -0.939 176.725 177.584 0.133 0.000 1.082 489 A CA -0.216 51.812 52.037 -0.014 0.000 0.785 489 A CB 0.189 19.220 19.000 0.053 0.000 1.020 489 A HN 0.661 nan 8.150 nan 0.000 0.489 490 W N 2.381 123.493 121.300 -0.313 0.000 2.391 490 W HA 0.417 5.078 4.660 0.001 0.000 0.312 490 W C -0.545 175.868 176.519 -0.176 0.000 1.003 490 W CA -0.331 56.901 57.345 -0.190 0.000 1.375 490 W CB 0.640 29.914 29.460 -0.310 0.000 1.253 490 W HN 0.602 nan 8.180 nan 0.000 0.416 491 H N 2.736 122.057 119.070 0.419 0.000 2.727 491 H HA 0.399 4.955 4.556 0.001 0.000 0.330 491 H C 0.327 175.693 175.328 0.064 0.000 0.986 491 H CA -0.877 55.324 56.048 0.256 0.000 1.251 491 H CB 1.671 31.506 29.762 0.122 0.000 1.493 491 H HN 0.143 nan 8.280 nan 0.000 0.515 492 R N 1.313 121.771 120.500 -0.070 0.000 2.643 492 R HA -0.021 4.319 4.340 0.001 0.000 0.270 492 R C 0.440 176.654 176.300 -0.143 0.000 1.061 492 R CA -0.409 55.464 56.100 -0.378 0.000 1.107 492 R CB 0.755 30.683 30.300 -0.619 0.000 0.999 492 R HN 0.559 nan 8.270 nan 0.000 0.460 493 D N 0.432 120.753 120.400 -0.131 0.000 2.190 493 D HA -0.164 4.476 4.640 0.001 0.000 0.200 493 D C 1.552 177.868 176.300 0.028 0.000 0.992 493 D CA 1.918 55.898 54.000 -0.034 0.000 0.854 493 D CB -0.131 40.670 40.800 0.003 0.000 0.936 493 D HN 0.540 nan 8.370 nan 0.000 0.462 494 S N -0.396 115.330 115.700 0.044 0.000 2.603 494 S HA 0.032 4.502 4.470 0.001 0.000 0.220 494 S C 1.559 176.212 174.600 0.089 0.000 0.967 494 S CA -0.009 58.293 58.200 0.169 0.000 0.920 494 S CB -0.016 63.260 63.200 0.128 0.000 0.773 494 S HN 0.192 nan 8.310 nan 0.000 0.529 495 E N 0.986 121.183 120.200 -0.005 0.000 2.085 495 E HA -0.119 4.232 4.350 0.001 0.000 0.194 495 E C 1.995 178.539 176.600 -0.094 0.000 0.994 495 E CA 1.256 57.645 56.400 -0.019 0.000 0.801 495 E CB -0.363 29.341 29.700 0.007 0.000 0.743 495 E HN 0.409 nan 8.360 nan 0.000 0.453 496 V N 0.302 120.076 119.914 -0.233 0.000 2.392 496 V HA -0.262 3.859 4.120 0.001 0.000 0.249 496 V C 1.665 177.498 176.094 -0.435 0.000 1.059 496 V CA 1.790 63.857 62.300 -0.388 0.000 1.051 496 V CB -0.331 31.162 31.823 -0.551 0.000 0.658 496 V HN 0.214 nan 8.190 nan 0.000 0.455 497 F N 0.457 120.390 119.950 -0.028 0.000 2.234 497 F HA 0.029 4.556 4.527 0.001 0.000 0.296 497 F C 2.374 178.168 175.800 -0.009 0.000 1.089 497 F CA 1.402 59.387 58.000 -0.024 0.000 1.343 497 F CB -0.648 38.334 39.000 -0.031 0.000 1.040 497 F HN 0.201 nan 8.300 nan 0.000 0.498 498 E N 0.105 120.388 120.200 0.139 0.000 2.110 498 E HA -0.228 4.122 4.350 0.001 0.000 0.193 498 E C 2.070 178.704 176.600 0.057 0.000 0.988 498 E CA 1.226 57.681 56.400 0.091 0.000 0.804 498 E CB -0.241 29.502 29.700 0.072 0.000 0.745 498 E HN 0.534 nan 8.360 nan 0.000 0.458 499 Q N 0.335 120.149 119.800 0.023 0.000 2.079 499 Q HA -0.125 4.216 4.340 0.001 0.000 0.200 499 Q C 2.288 178.303 176.000 0.025 0.000 0.974 499 Q CA 1.003 56.813 55.803 0.011 0.000 0.840 499 Q CB -0.074 28.650 28.738 -0.023 0.000 0.898 499 Q HN 0.288 nan 8.270 nan 0.000 0.430 500 L N -0.209 121.034 121.223 0.033 0.000 2.017 500 L HA -0.203 4.137 4.340 0.001 0.000 0.208 500 L C 2.478 179.391 176.870 0.072 0.000 1.073 500 L CA 0.765 55.639 54.840 0.057 0.000 0.745 500 L CB -0.457 41.652 42.059 0.083 0.000 0.894 500 L HN 0.354 nan 8.230 nan 0.000 0.432 501 M N -0.478 119.172 119.600 0.082 0.000 2.108 501 M HA -0.224 4.257 4.480 0.001 0.000 0.261 501 M C 1.896 178.231 176.300 0.058 0.000 1.066 501 M CA 1.673 57.017 55.300 0.074 0.000 1.107 501 M CB -1.160 31.486 32.600 0.076 0.000 1.356 501 M HN 0.232 nan 8.290 nan 0.000 0.406 502 D N -0.265 120.165 120.400 0.051 0.000 2.144 502 D HA -0.118 4.523 4.640 0.001 0.000 0.199 502 D C 2.175 178.499 176.300 0.039 0.000 0.984 502 D CA 1.007 55.033 54.000 0.043 0.000 0.834 502 D CB -0.224 40.600 40.800 0.040 0.000 0.955 502 D HN 0.384 nan 8.370 nan 0.000 0.465 503 R N 0.281 120.806 120.500 0.041 0.000 2.092 503 R HA 0.010 4.351 4.340 0.001 0.000 0.231 503 R C 2.244 178.570 176.300 0.042 0.000 1.119 503 R CA 1.076 57.199 56.100 0.040 0.000 0.970 503 R CB -0.078 30.247 30.300 0.042 0.000 0.864 503 R HN 0.025 nan 8.270 nan 0.000 0.440 504 S N -0.361 115.368 115.700 0.049 0.000 2.496 504 S HA -0.014 4.456 4.470 0.001 0.000 0.224 504 S C 1.568 176.192 174.600 0.040 0.000 0.996 504 S CA 0.947 59.176 58.200 0.048 0.000 0.927 504 S CB 0.317 63.553 63.200 0.061 0.000 0.774 504 S HN 0.330 nan 8.310 nan 0.000 0.524 505 T N 1.812 116.389 114.554 0.038 0.000 3.035 505 T HA -0.005 4.346 4.350 0.001 0.000 0.259 505 T C 2.192 176.909 174.700 0.028 0.000 1.078 505 T CA 1.020 63.139 62.100 0.033 0.000 1.132 505 T CB -0.180 68.708 68.868 0.034 0.000 0.900 505 T HN 0.586 nan 8.240 nan 0.000 0.480 506 S N 1.036 116.753 115.700 0.029 0.000 2.423 506 S HA 0.019 4.489 4.470 0.001 0.000 0.231 506 S C 0.895 175.508 174.600 0.022 0.000 1.014 506 S CA 0.013 58.228 58.200 0.025 0.000 0.965 506 S CB -0.573 62.642 63.200 0.026 0.000 0.785 506 S HN 0.225 nan 8.310 nan 0.000 0.495 507 V N 2.690 122.618 119.914 0.023 0.000 2.743 507 V HA 0.327 4.447 4.120 0.001 0.000 0.301 507 V C 1.615 177.719 176.094 0.017 0.000 1.057 507 V CA 0.077 62.389 62.300 0.020 0.000 1.006 507 V CB 1.496 33.332 31.823 0.022 0.000 1.024 507 V HN 0.549 nan 8.190 nan 0.000 0.473 508 S N 1.020 116.728 115.700 0.014 0.000 2.357 508 S HA -0.082 4.389 4.470 0.001 0.000 0.221 508 S C 0.813 175.419 174.600 0.010 0.000 1.031 508 S CA 0.870 59.077 58.200 0.011 0.000 0.982 508 S CB -0.079 63.126 63.200 0.008 0.000 0.853 508 S HN 0.699 nan 8.310 nan 0.000 0.458 509 E N 1.541 121.747 120.200 0.010 0.000 2.092 509 E HA 0.359 4.709 4.350 0.001 0.000 0.271 509 E C -0.400 176.208 176.600 0.013 0.000 0.919 509 E CA -0.760 55.645 56.400 0.009 0.000 0.760 509 E CB 0.734 30.437 29.700 0.004 0.000 1.106 509 E HN 0.469 nan 8.360 nan 0.000 0.408 510 R N 4.685 125.194 120.500 0.015 0.000 2.504 510 R HA 0.074 4.414 4.340 0.001 0.000 0.291 510 R C -1.952 174.360 176.300 0.022 0.000 0.974 510 R CA -0.916 55.197 56.100 0.021 0.000 1.077 510 R CB 0.212 30.525 30.300 0.021 0.000 0.926 510 R HN 0.400 nan 8.270 nan 0.000 0.407 511 P HA -0.025 nan 4.420 nan 0.000 0.267 511 P C -1.322 175.986 177.300 0.014 0.000 1.200 511 P CA 0.373 63.486 63.100 0.022 0.000 0.772 511 P CB 0.470 32.190 31.700 0.033 0.000 0.855 512 K N 0.114 120.509 120.400 -0.007 0.000 2.482 512 K HA 0.764 5.084 4.320 0.001 0.000 0.257 512 K C -1.554 174.988 176.600 -0.096 0.000 0.969 512 K CA -1.182 55.089 56.287 -0.026 0.000 0.842 512 K CB 1.662 34.170 32.500 0.013 0.000 1.359 512 K HN 0.036 nan 8.250 nan 0.000 0.441 513 V N 2.239 122.034 119.914 -0.198 0.000 2.482 513 V HA 0.295 4.415 4.120 0.001 0.000 0.295 513 V C -1.330 174.662 176.094 -0.170 0.000 1.026 513 V CA -0.756 61.321 62.300 -0.372 0.000 0.856 513 V CB 1.137 32.273 31.823 -1.144 0.000 1.001 513 V HN 0.759 nan 8.190 nan 0.000 0.424 514 F N 5.981 125.874 119.950 -0.094 0.000 2.472 514 F HA 0.439 4.966 4.527 0.001 0.000 0.364 514 F C 0.075 175.868 175.800 -0.011 0.000 1.090 514 F CA -0.340 57.670 58.000 0.016 0.000 1.188 514 F CB 0.532 39.671 39.000 0.232 0.000 1.105 514 F HN 0.308 nan 8.300 nan 0.000 0.536 515 L N 7.475 128.293 121.223 -0.675 0.000 2.268 515 L HA 0.341 4.681 4.340 0.001 0.000 0.289 515 L C 0.246 176.694 176.870 -0.703 0.000 1.064 515 L CA -0.660 53.892 54.840 -0.480 0.000 0.824 515 L CB 0.722 42.614 42.059 -0.278 0.000 1.202 515 L HN 0.789 nan 8.230 nan 0.000 0.433 516 A N 3.933 126.569 122.820 -0.306 0.000 2.923 516 A HA 0.296 4.616 4.320 0.001 0.000 0.306 516 A C 0.160 177.653 177.584 -0.151 0.000 1.542 516 A CA -0.394 51.572 52.037 -0.118 0.000 1.225 516 A CB -0.390 18.686 19.000 0.126 0.000 1.147 516 A HN 0.753 nan 8.150 nan 0.000 0.542 517 C N 2.918 122.000 119.300 -0.363 0.000 2.576 517 C HA 0.452 4.912 4.460 0.001 0.000 0.401 517 C C 0.526 175.301 174.990 -0.358 0.000 1.314 517 C CA -0.299 58.368 59.018 -0.585 0.000 1.855 517 C CB -1.080 25.774 27.740 -1.477 0.000 2.537 517 C HN 0.686 nan 8.230 nan 0.000 0.578 518 L N 4.212 125.365 121.223 -0.118 0.000 2.325 518 L HA 0.800 5.140 4.340 0.001 0.000 0.278 518 L C 0.803 177.766 176.870 0.155 0.000 1.023 518 L CA 0.167 55.014 54.840 0.010 0.000 0.811 518 L CB 0.814 42.857 42.059 -0.026 0.000 1.249 518 L HN 0.996 nan 8.230 nan 0.000 0.431 519 G N 1.632 110.516 108.800 0.141 0.000 2.615 519 G HA2 -0.186 3.774 3.960 0.001 0.000 0.218 519 G HA3 -0.186 3.774 3.960 0.001 0.000 0.218 519 G C -0.186 174.842 174.900 0.213 0.000 1.339 519 G CA -0.281 44.896 45.100 0.129 0.000 0.884 519 G HN 0.892 nan 8.290 nan 0.000 0.559 520 T N -2.281 112.302 114.554 0.049 0.000 2.862 520 T HA 0.603 4.954 4.350 0.001 0.000 0.276 520 T C 1.519 175.951 174.700 -0.446 0.000 0.974 520 T CA 0.613 62.673 62.100 -0.066 0.000 0.966 520 T CB 1.736 70.555 68.868 -0.082 0.000 1.072 520 T HN 0.929 nan 8.240 nan 0.000 0.538 521 R N -0.118 120.039 120.500 -0.573 0.000 2.105 521 R HA -0.082 4.259 4.340 0.001 0.000 0.239 521 R C 2.685 178.618 176.300 -0.611 0.000 1.135 521 R CA 1.358 56.913 56.100 -0.908 0.000 0.967 521 R CB -0.261 29.758 30.300 -0.468 0.000 0.861 521 R HN 0.722 nan 8.270 nan 0.000 0.442 522 R N 0.138 120.437 120.500 -0.334 0.000 2.103 522 R HA -0.167 4.174 4.340 0.001 0.000 0.242 522 R C 1.420 177.599 176.300 -0.200 0.000 1.142 522 R CA 2.185 58.159 56.100 -0.210 0.000 0.960 522 R CB -0.103 30.114 30.300 -0.139 0.000 0.858 522 R HN 0.360 nan 8.270 nan 0.000 0.439 523 D N -0.297 119.977 120.400 -0.210 0.000 2.091 523 D HA -0.145 4.496 4.640 0.001 0.000 0.199 523 D C 1.592 177.837 176.300 -0.091 0.000 0.980 523 D CA 1.337 55.256 54.000 -0.135 0.000 0.831 523 D CB -0.278 40.473 40.800 -0.081 0.000 0.987 523 D HN 0.384 nan 8.370 nan 0.000 0.460 524 F N 0.237 120.144 119.950 -0.071 0.000 2.765 524 F HA 0.470 4.998 4.527 0.001 0.000 0.302 524 F C 1.907 177.696 175.800 -0.018 0.000 1.111 524 F CA -0.081 57.882 58.000 -0.061 0.000 1.359 524 F CB -0.787 38.179 39.000 -0.056 0.000 1.097 524 F HN -0.150 nan 8.300 nan 0.000 0.577 525 G N 1.601 110.318 108.800 -0.138 0.000 2.553 525 G HA2 -0.241 3.720 3.960 0.001 0.000 0.218 525 G HA3 -0.241 3.720 3.960 0.001 0.000 0.218 525 G C 1.866 176.818 174.900 0.086 0.000 1.195 525 G CA 1.141 46.222 45.100 -0.031 0.000 0.779 525 G HN 0.601 nan 8.290 nan 0.000 0.577 526 G N 0.721 109.554 108.800 0.055 0.000 2.628 526 G HA2 -0.286 3.674 3.960 0.001 0.000 0.217 526 G HA3 -0.286 3.674 3.960 0.001 0.000 0.217 526 G C 1.953 176.934 174.900 0.136 0.000 1.240 526 G CA 1.410 46.557 45.100 0.078 0.000 0.792 526 G HN 0.388 nan 8.290 nan 0.000 0.593 527 R N 0.256 120.839 120.500 0.139 0.000 2.105 527 R HA -0.015 4.326 4.340 0.001 0.000 0.239 527 R C 2.497 178.930 176.300 0.222 0.000 1.135 527 R CA 1.260 57.469 56.100 0.182 0.000 0.967 527 R CB -0.415 29.989 30.300 0.174 0.000 0.861 527 R HN 0.477 nan 8.270 nan 0.000 0.442 528 E N -0.347 119.986 120.200 0.222 0.000 2.072 528 E HA -0.085 4.266 4.350 0.001 0.000 0.191 528 E C 1.916 178.613 176.600 0.162 0.000 0.985 528 E CA 1.430 57.944 56.400 0.189 0.000 0.801 528 E CB -0.282 29.564 29.700 0.243 0.000 0.750 528 E HN 0.392 nan 8.360 nan 0.000 0.452 529 G N 0.185 109.093 108.800 0.179 0.000 2.450 529 G HA2 -0.275 3.686 3.960 0.001 0.000 0.220 529 G HA3 -0.275 3.686 3.960 0.001 0.000 0.220 529 G C 1.472 176.464 174.900 0.153 0.000 1.130 529 G CA 0.763 45.968 45.100 0.175 0.000 0.760 529 G HN 0.334 nan 8.290 nan 0.000 0.557 530 F N 1.750 121.701 119.950 0.002 0.000 2.147 530 F HA 0.074 4.602 4.527 0.001 0.000 0.291 530 F C 2.921 178.625 175.800 -0.159 0.000 1.093 530 F CA 1.631 59.581 58.000 -0.083 0.000 1.263 530 F CB -0.189 38.780 39.000 -0.052 0.000 1.036 530 F HN 0.130 nan 8.300 nan 0.000 0.481 531 S N -0.492 115.216 115.700 0.014 0.000 2.355 531 S HA -0.201 4.269 4.470 0.001 0.000 0.222 531 S C 2.173 176.622 174.600 -0.252 0.000 1.031 531 S CA 1.207 59.327 58.200 -0.134 0.000 0.993 531 S CB -0.817 62.466 63.200 0.138 0.000 0.859 531 S HN 0.454 nan 8.310 nan 0.000 0.453 532 S N 2.122 117.752 115.700 -0.116 0.000 2.404 532 S HA -0.122 4.349 4.470 0.001 0.000 0.230 532 S C -0.825 173.399 174.600 -0.627 0.000 1.046 532 S CA 1.896 59.959 58.200 -0.228 0.000 1.135 532 S CB -1.262 61.885 63.200 -0.089 0.000 1.056 532 S HN 0.311 nan 8.310 nan 0.000 0.426 533 P HA -0.047 nan 4.420 nan 0.000 0.216 533 P C 1.599 178.598 177.300 -0.502 0.000 1.150 533 P CA 0.900 63.728 63.100 -0.453 0.000 0.843 533 P CB -0.225 31.219 31.700 -0.426 0.000 0.787 534 V N -1.435 118.088 119.914 -0.653 0.000 2.255 534 V HA -0.235 3.886 4.120 0.001 0.000 0.247 534 V C 2.206 177.973 176.094 -0.544 0.000 1.051 534 V CA 1.944 63.829 62.300 -0.692 0.000 1.018 534 V CB -1.676 29.591 31.823 -0.927 0.000 0.641 534 V HN 0.127 nan 8.190 nan 0.000 0.445 535 W N -0.130 121.003 121.300 -0.277 0.000 2.338 535 W HA -0.185 4.476 4.660 0.001 0.000 0.304 535 W C 2.540 179.027 176.519 -0.053 0.000 1.212 535 W CA 1.541 58.784 57.345 -0.169 0.000 1.264 535 W CB -0.724 28.645 29.460 -0.152 0.000 1.142 535 W HN 0.384 nan 8.180 nan 0.000 0.512 536 H N -0.123 119.007 119.070 0.100 0.000 2.489 536 H HA -0.128 4.428 4.556 0.001 0.000 0.293 536 H C 2.021 177.349 175.328 -0.001 0.000 1.066 536 H CA 1.118 57.193 56.048 0.046 0.000 1.305 536 H CB -0.336 29.439 29.762 0.021 0.000 1.386 536 H HN 0.197 nan 8.280 nan 0.000 0.551 537 I N 0.902 121.491 120.570 0.032 0.000 2.194 537 I HA -0.284 3.886 4.170 0.001 0.000 0.246 537 I C 2.497 178.655 176.117 0.069 0.000 1.093 537 I CA 1.207 62.492 61.300 -0.025 0.000 1.355 537 I CB -0.235 37.694 38.000 -0.118 0.000 1.046 537 I HN 0.325 nan 8.210 nan 0.000 0.413 538 A N 0.095 122.976 122.820 0.102 0.000 2.251 538 A HA 0.352 4.673 4.320 0.001 0.000 0.209 538 A C 1.704 179.359 177.584 0.117 0.000 1.187 538 A CA 0.683 52.792 52.037 0.120 0.000 0.823 538 A CB -0.428 18.653 19.000 0.134 0.000 0.846 538 A HN 0.605 nan 8.150 nan 0.000 0.486 539 G N -0.544 108.329 108.800 0.122 0.000 2.149 539 G HA2 -0.207 3.753 3.960 0.001 0.000 0.235 539 G HA3 -0.207 3.753 3.960 0.001 0.000 0.235 539 G C -0.034 174.934 174.900 0.114 0.000 1.018 539 G CA 0.208 45.368 45.100 0.100 0.000 0.728 539 G HN 0.466 nan 8.290 nan 0.000 0.508 540 I N 1.349 122.024 120.570 0.174 0.000 2.312 540 I HA 0.222 4.392 4.170 0.001 0.000 0.291 540 I C 0.204 176.444 176.117 0.206 0.000 1.031 540 I CA -0.822 60.578 61.300 0.166 0.000 1.293 540 I CB 0.683 38.802 38.000 0.198 0.000 1.403 540 I HN -0.033 nan 8.210 nan 0.000 0.484 541 D N 4.355 124.822 120.400 0.111 0.000 2.378 541 D HA 0.107 4.748 4.640 0.001 0.000 0.238 541 D C 0.360 176.728 176.300 0.113 0.000 1.180 541 D CA 0.478 54.539 54.000 0.102 0.000 0.895 541 D CB 1.009 41.837 40.800 0.046 0.000 1.192 541 D HN 0.549 nan 8.370 nan 0.000 0.438 542 T N -1.087 113.560 114.554 0.154 0.000 3.226 542 T HA 0.410 4.760 4.350 0.001 0.000 0.378 542 T C -2.598 172.126 174.700 0.040 0.000 1.380 542 T CA -1.627 60.523 62.100 0.084 0.000 1.396 542 T CB 1.155 70.119 68.868 0.160 0.000 1.044 542 T HN 0.065 nan 8.240 nan 0.000 0.586 543 P HA 0.303 nan 4.420 nan 0.000 0.272 543 P C -0.561 176.658 177.300 -0.136 0.000 1.223 543 P CA -0.093 63.046 63.100 0.065 0.000 0.784 543 P CB 0.872 32.698 31.700 0.209 0.000 0.923 544 Q N -0.217 119.469 119.800 -0.190 0.000 2.648 544 Q HA 0.708 5.048 4.340 0.001 0.000 0.300 544 Q C -1.991 173.837 176.000 -0.287 0.000 0.954 544 Q CA -1.135 54.339 55.803 -0.549 0.000 0.757 544 Q CB 1.694 30.228 28.738 -0.341 0.000 1.482 544 Q HN 0.241 nan 8.270 nan 0.000 0.437 545 V N 0.042 119.746 119.914 -0.350 0.000 2.789 545 V HA 0.370 4.491 4.120 0.001 0.000 0.311 545 V C -1.234 174.741 176.094 -0.199 0.000 1.073 545 V CA -0.435 61.822 62.300 -0.070 0.000 0.921 545 V CB 2.043 33.967 31.823 0.167 0.000 1.009 545 V HN 0.877 nan 8.190 nan 0.000 0.426 546 E N 5.078 125.232 120.200 -0.077 0.000 2.069 546 E HA 0.486 4.836 4.350 0.001 0.000 0.254 546 E C 0.629 177.292 176.600 0.106 0.000 1.088 546 E CA 0.581 56.965 56.400 -0.026 0.000 1.017 546 E CB 0.603 30.438 29.700 0.225 0.000 1.226 546 E HN 1.206 nan 8.360 nan 0.000 0.458 547 G N 1.703 110.493 108.800 -0.018 0.000 2.601 547 G HA2 -0.051 3.910 3.960 0.001 0.000 0.252 547 G HA3 -0.051 3.910 3.960 0.001 0.000 0.252 547 G C 0.356 175.303 174.900 0.078 0.000 1.294 547 G CA -0.487 44.670 45.100 0.095 0.000 0.912 547 G HN 1.019 nan 8.290 nan 0.000 0.574 548 G N -3.282 105.567 108.800 0.083 0.000 2.498 548 G HA2 0.518 4.479 3.960 0.001 0.000 0.651 548 G HA3 0.518 4.479 3.960 0.001 0.000 0.651 548 G C 0.443 175.377 174.900 0.058 0.000 1.284 548 G CA 0.710 45.851 45.100 0.067 0.000 0.950 548 G HN 2.902 nan 8.290 nan 0.000 0.511 549 T N -2.383 112.202 114.554 0.051 0.000 2.726 549 T HA 0.488 4.839 4.350 0.001 0.000 0.294 549 T C 1.787 176.518 174.700 0.052 0.000 1.013 549 T CA 1.166 63.293 62.100 0.045 0.000 0.996 549 T CB 0.715 69.606 68.868 0.038 0.000 1.016 549 T HN 1.114 nan 8.240 nan 0.000 0.529 550 T N 1.088 115.671 114.554 0.048 0.000 2.720 550 T HA -0.051 4.299 4.350 0.001 0.000 0.268 550 T C 2.378 177.111 174.700 0.054 0.000 1.037 550 T CA 1.375 63.507 62.100 0.052 0.000 1.144 550 T CB -0.879 68.016 68.868 0.045 0.000 0.864 550 T HN 0.779 nan 8.240 nan 0.000 0.444 551 A N 1.720 124.568 122.820 0.047 0.000 1.858 551 A HA -0.164 4.157 4.320 0.001 0.000 0.216 551 A C 2.218 179.833 177.584 0.052 0.000 1.190 551 A CA 1.772 53.835 52.037 0.044 0.000 0.617 551 A CB -0.694 18.327 19.000 0.035 0.000 0.827 551 A HN 0.556 nan 8.150 nan 0.000 0.443 552 E N -0.420 119.813 120.200 0.055 0.000 2.070 552 E HA -0.221 4.130 4.350 0.001 0.000 0.197 552 E C 1.931 178.587 176.600 0.093 0.000 1.004 552 E CA 1.575 58.014 56.400 0.066 0.000 0.805 552 E CB -0.379 29.359 29.700 0.063 0.000 0.744 552 E HN 0.707 nan 8.360 nan 0.000 0.451 553 I N 0.486 121.119 120.570 0.106 0.000 2.142 553 I HA -0.272 3.898 4.170 0.001 0.000 0.240 553 I C 2.401 178.615 176.117 0.161 0.000 1.078 553 I CA 0.875 62.272 61.300 0.161 0.000 1.343 553 I CB -0.324 37.759 38.000 0.138 0.000 1.046 553 I HN -0.013 nan 8.210 nan 0.000 0.405 554 V N 0.685 120.668 119.914 0.114 0.000 2.332 554 V HA -0.296 3.825 4.120 0.001 0.000 0.248 554 V C 2.544 178.689 176.094 0.084 0.000 1.055 554 V CA 2.207 64.581 62.300 0.123 0.000 1.038 554 V CB -0.746 31.135 31.823 0.096 0.000 0.651 554 V HN 0.448 nan 8.190 nan 0.000 0.450 555 E N 1.125 121.354 120.200 0.048 0.000 2.038 555 E HA -0.205 4.145 4.350 0.001 0.000 0.195 555 E C 2.162 178.747 176.600 -0.025 0.000 1.000 555 E CA 1.965 58.369 56.400 0.007 0.000 0.803 555 E CB -0.706 29.004 29.700 0.016 0.000 0.750 555 E HN 0.473 nan 8.360 nan 0.000 0.448 556 A N 0.168 123.004 122.820 0.026 0.000 1.892 556 A HA -0.180 4.141 4.320 0.001 0.000 0.218 556 A C 2.306 179.744 177.584 -0.243 0.000 1.188 556 A CA 1.769 53.832 52.037 0.043 0.000 0.631 556 A CB -1.165 17.984 19.000 0.249 0.000 0.822 556 A HN 0.489 nan 8.150 nan 0.000 0.447 557 F N 0.922 120.452 119.950 -0.699 0.000 2.069 557 F HA -0.181 4.347 4.527 0.001 0.000 0.298 557 F C 2.082 177.517 175.800 -0.609 0.000 1.113 557 F CA 2.284 59.506 58.000 -1.296 0.000 1.214 557 F CB -0.442 38.055 39.000 -0.838 0.000 0.978 557 F HN 0.162 nan 8.300 nan 0.000 0.474 558 K N 0.200 120.265 120.400 -0.558 0.000 2.032 558 K HA -0.235 4.086 4.320 0.001 0.000 0.209 558 K C 2.113 178.484 176.600 -0.382 0.000 1.048 558 K CA 1.880 57.866 56.287 -0.502 0.000 0.927 558 K CB -0.357 32.009 32.500 -0.222 0.000 0.712 558 K HN 0.084 nan 8.250 nan 0.000 0.441 559 K N 1.140 121.390 120.400 -0.249 0.000 2.152 559 K HA -0.150 4.171 4.320 0.001 0.000 0.206 559 K C 2.100 178.604 176.600 -0.160 0.000 1.048 559 K CA 1.784 57.977 56.287 -0.157 0.000 0.933 559 K CB -0.240 32.214 32.500 -0.077 0.000 0.721 559 K HN 0.217 nan 8.250 nan 0.000 0.447 560 S N -1.294 114.278 115.700 -0.213 0.000 2.368 560 S HA -0.036 4.435 4.470 0.001 0.000 0.225 560 S C 1.683 176.194 174.600 -0.148 0.000 1.030 560 S CA 1.321 59.450 58.200 -0.117 0.000 0.999 560 S CB -0.570 62.602 63.200 -0.048 0.000 0.844 560 S HN 0.586 nan 8.310 nan 0.000 0.459 561 G N 0.633 109.265 108.800 -0.281 0.000 2.157 561 G HA2 0.005 3.965 3.960 0.001 0.000 0.239 561 G HA3 0.005 3.965 3.960 0.001 0.000 0.239 561 G C 0.189 174.974 174.900 -0.193 0.000 0.982 561 G CA 0.123 45.087 45.100 -0.227 0.000 0.650 561 G HN 1.309 nan 8.290 nan 0.000 0.527 562 A N -0.353 122.349 122.820 -0.196 0.000 2.322 562 A HA 0.731 5.052 4.320 0.001 0.000 0.269 562 A C 1.113 178.685 177.584 -0.019 0.000 1.094 562 A CA 0.748 52.761 52.037 -0.040 0.000 0.807 562 A CB 0.476 19.548 19.000 0.120 0.000 1.047 562 A HN 0.427 nan 8.150 nan 0.000 0.487 563 Q N 0.083 119.929 119.800 0.077 0.000 2.373 563 Q HA 0.166 4.507 4.340 0.001 0.000 0.210 563 Q C -0.323 175.808 176.000 0.219 0.000 0.913 563 Q CA 0.463 56.344 55.803 0.131 0.000 0.911 563 Q CB 0.407 29.187 28.738 0.070 0.000 1.040 563 Q HN 0.498 nan 8.270 nan 0.000 0.521 564 V N 0.672 120.700 119.914 0.190 0.000 2.581 564 V HA 0.728 4.848 4.120 0.001 0.000 0.303 564 V C -0.614 175.589 176.094 0.181 0.000 1.041 564 V CA -0.687 61.709 62.300 0.159 0.000 0.907 564 V CB 1.624 33.509 31.823 0.104 0.000 0.994 564 V HN 0.200 nan 8.190 nan 0.000 0.442 565 A N 2.653 125.552 122.820 0.133 0.000 2.498 565 A HA 0.801 5.122 4.320 0.001 0.000 0.298 565 A C -1.509 176.173 177.584 0.162 0.000 1.075 565 A CA -0.516 51.596 52.037 0.126 0.000 0.714 565 A CB 1.881 20.858 19.000 -0.038 0.000 1.299 565 A HN 0.724 nan 8.150 nan 0.000 0.407 566 D N 1.388 121.879 120.400 0.152 0.000 2.593 566 D HA 0.462 5.103 4.640 0.001 0.000 0.251 566 D C -1.002 175.420 176.300 0.203 0.000 1.140 566 D CA -0.181 53.972 54.000 0.254 0.000 0.855 566 D CB 0.974 41.964 40.800 0.316 0.000 1.267 566 D HN 0.419 nan 8.370 nan 0.000 0.532 567 L N 3.356 124.728 121.223 0.249 0.000 2.361 567 L HA 0.334 4.674 4.340 0.001 0.000 0.278 567 L C -0.359 176.724 176.870 0.354 0.000 1.113 567 L CA -0.396 54.616 54.840 0.286 0.000 0.849 567 L CB 0.710 42.993 42.059 0.373 0.000 1.155 567 L HN 0.417 nan 8.230 nan 0.000 0.452 568 C N 3.027 122.464 119.300 0.229 0.000 2.344 568 C HA 0.744 5.204 4.460 0.001 0.000 0.326 568 C C 0.244 175.264 174.990 0.051 0.000 1.201 568 C CA -0.454 58.685 59.018 0.202 0.000 1.410 568 C CB 0.824 28.637 27.740 0.120 0.000 2.070 568 C HN 0.904 nan 8.230 nan 0.000 0.445 569 S N 1.616 117.242 115.700 -0.124 0.000 2.683 569 S HA 0.682 5.153 4.470 0.001 0.000 0.269 569 S C -0.402 173.918 174.600 -0.467 0.000 1.165 569 S CA -0.013 58.002 58.200 -0.308 0.000 0.840 569 S CB 0.984 63.901 63.200 -0.471 0.000 1.169 569 S HN 1.098 nan 8.310 nan 0.000 0.490 570 S N 1.094 116.584 115.700 -0.350 0.000 2.655 570 S HA 0.682 5.152 4.470 0.001 0.000 0.265 570 S C 1.498 175.904 174.600 -0.324 0.000 1.240 570 S CA 0.032 58.090 58.200 -0.236 0.000 0.986 570 S CB 0.735 63.857 63.200 -0.131 0.000 0.985 570 S HN 1.477 nan 8.310 nan 0.000 0.562 571 A N 0.968 123.744 122.820 -0.073 0.000 1.933 571 A HA -0.081 4.239 4.320 0.001 0.000 0.218 571 A C 2.171 179.744 177.584 -0.018 0.000 1.175 571 A CA 1.782 53.852 52.037 0.056 0.000 0.628 571 A CB -0.955 18.090 19.000 0.075 0.000 0.814 571 A HN 0.956 nan 8.150 nan 0.000 0.444 572 K N -0.206 120.160 120.400 -0.057 0.000 2.026 572 K HA -0.101 4.220 4.320 0.001 0.000 0.208 572 K C 1.722 178.270 176.600 -0.086 0.000 1.048 572 K CA 1.781 58.036 56.287 -0.054 0.000 0.929 572 K CB -0.270 32.201 32.500 -0.048 0.000 0.713 572 K HN 0.221 nan 8.250 nan 0.000 0.439 573 V N 0.798 120.627 119.914 -0.143 0.000 2.515 573 V HA -0.208 3.913 4.120 0.001 0.000 0.250 573 V C 2.019 177.998 176.094 -0.192 0.000 1.058 573 V CA 1.383 63.589 62.300 -0.158 0.000 1.064 573 V CB -0.700 31.022 31.823 -0.168 0.000 0.675 573 V HN 0.286 nan 8.190 nan 0.000 0.461 574 Y N 0.976 121.124 120.300 -0.254 0.000 2.145 574 Y HA -0.156 4.395 4.550 0.001 0.000 0.286 574 Y C 2.548 178.071 175.900 -0.629 0.000 1.145 574 Y CA 0.944 58.697 58.100 -0.578 0.000 1.148 574 Y CB -1.279 36.674 38.460 -0.844 0.000 0.981 574 Y HN 0.188 nan 8.280 nan 0.000 0.507 575 A N 0.178 122.886 122.820 -0.187 0.000 1.834 575 A HA -0.295 4.025 4.320 0.001 0.000 0.216 575 A C 2.160 179.714 177.584 -0.049 0.000 1.203 575 A CA 2.138 54.126 52.037 -0.081 0.000 0.621 575 A CB -1.043 17.950 19.000 -0.012 0.000 0.841 575 A HN 0.540 nan 8.150 nan 0.000 0.446 576 Q N -0.747 119.028 119.800 -0.042 0.000 1.935 576 Q HA -0.285 4.056 4.340 0.001 0.000 0.212 576 Q C 2.097 178.092 176.000 -0.008 0.000 1.008 576 Q CA 2.179 57.971 55.803 -0.019 0.000 0.868 576 Q CB -0.328 28.396 28.738 -0.024 0.000 0.946 576 Q HN 0.884 nan 8.270 nan 0.000 0.418 577 Q N -0.533 119.258 119.800 -0.016 0.000 2.319 577 Q HA 0.186 4.527 4.340 0.001 0.000 0.209 577 Q C 1.881 177.910 176.000 0.049 0.000 0.884 577 Q CA 0.282 56.096 55.803 0.018 0.000 0.938 577 Q CB 0.360 29.110 28.738 0.020 0.000 1.098 577 Q HN 0.401 nan 8.270 nan 0.000 0.517 578 G N 2.446 111.253 108.800 0.011 0.000 2.672 578 G HA2 -0.338 3.622 3.960 0.001 0.000 0.218 578 G HA3 -0.338 3.622 3.960 0.001 0.000 0.218 578 G C 1.317 176.398 174.900 0.302 0.000 1.238 578 G CA 1.228 46.387 45.100 0.099 0.000 0.791 578 G HN 0.300 nan 8.290 nan 0.000 0.606 579 L N 0.794 122.223 121.223 0.343 0.000 1.990 579 L HA -0.079 4.261 4.340 0.001 0.000 0.213 579 L C 2.747 179.704 176.870 0.145 0.000 1.072 579 L CA 2.928 57.926 54.840 0.264 0.000 0.755 579 L CB -0.844 41.343 42.059 0.214 0.000 0.889 579 L HN 0.552 nan 8.230 nan 0.000 0.432 580 E N -0.874 119.392 120.200 0.109 0.000 2.033 580 E HA -0.251 4.100 4.350 0.001 0.000 0.199 580 E C 2.021 178.665 176.600 0.072 0.000 1.011 580 E CA 2.515 58.959 56.400 0.073 0.000 0.815 580 E CB -0.214 29.522 29.700 0.060 0.000 0.755 580 E HN 0.383 nan 8.360 nan 0.000 0.451 581 V N 1.341 121.306 119.914 0.084 0.000 2.287 581 V HA -0.297 3.824 4.120 0.001 0.000 0.248 581 V C 2.530 178.663 176.094 0.064 0.000 1.053 581 V CA 1.930 64.275 62.300 0.075 0.000 1.027 581 V CB -1.021 30.857 31.823 0.092 0.000 0.646 581 V HN 0.504 nan 8.190 nan 0.000 0.447 582 A N -0.186 122.696 122.820 0.102 0.000 1.865 582 A HA -0.282 4.038 4.320 0.001 0.000 0.217 582 A C 2.298 179.896 177.584 0.023 0.000 1.191 582 A CA 2.308 54.387 52.037 0.071 0.000 0.623 582 A CB -0.513 18.560 19.000 0.122 0.000 0.826 582 A HN 0.538 nan 8.150 nan 0.000 0.444 583 K N -0.437 119.985 120.400 0.036 0.000 1.991 583 K HA -0.096 4.225 4.320 0.001 0.000 0.212 583 K C 2.383 178.990 176.600 0.012 0.000 1.049 583 K CA 1.348 57.646 56.287 0.018 0.000 0.932 583 K CB -0.424 32.093 32.500 0.028 0.000 0.717 583 K HN 0.440 nan 8.250 nan 0.000 0.441 584 A N 1.354 124.186 122.820 0.020 0.000 1.873 584 A HA -0.214 4.107 4.320 0.001 0.000 0.218 584 A C 2.191 179.776 177.584 0.001 0.000 1.193 584 A CA 1.629 53.678 52.037 0.020 0.000 0.629 584 A CB -0.933 18.087 19.000 0.032 0.000 0.826 584 A HN 0.214 nan 8.150 nan 0.000 0.447 585 L N -1.053 120.139 121.223 -0.052 0.000 2.012 585 L HA -0.226 4.115 4.340 0.001 0.000 0.210 585 L C 2.660 179.450 176.870 -0.133 0.000 1.073 585 L CA 1.616 56.340 54.840 -0.193 0.000 0.748 585 L CB -0.442 41.429 42.059 -0.313 0.000 0.891 585 L HN 0.219 nan 8.230 nan 0.000 0.431 586 K N 0.068 120.426 120.400 -0.070 0.000 2.103 586 K HA -0.118 4.202 4.320 0.001 0.000 0.207 586 K C 2.111 178.716 176.600 0.008 0.000 1.048 586 K CA 1.516 57.785 56.287 -0.029 0.000 0.930 586 K CB -0.557 31.927 32.500 -0.026 0.000 0.716 586 K HN 0.319 nan 8.250 nan 0.000 0.444 587 A N 0.794 123.624 122.820 0.016 0.000 1.930 587 A HA -0.048 4.273 4.320 0.001 0.000 0.217 587 A C 2.162 179.778 177.584 0.053 0.000 1.175 587 A CA 1.819 53.873 52.037 0.028 0.000 0.627 587 A CB -0.462 18.553 19.000 0.025 0.000 0.815 587 A HN 0.264 nan 8.150 nan 0.000 0.443 588 A N -1.948 120.926 122.820 0.090 0.000 2.239 588 A HA 0.394 4.714 4.320 0.001 0.000 0.209 588 A C 1.710 179.408 177.584 0.190 0.000 1.171 588 A CA 1.366 53.494 52.037 0.152 0.000 0.768 588 A CB -0.841 18.318 19.000 0.265 0.000 0.790 588 A HN 1.813 nan 8.150 nan 0.000 0.478 589 G N -2.349 106.546 108.800 0.159 0.000 2.211 589 G HA2 0.150 4.110 3.960 0.001 0.000 0.201 589 G HA3 0.150 4.110 3.960 0.001 0.000 0.201 589 G C 0.450 175.464 174.900 0.190 0.000 0.997 589 G CA -0.040 45.141 45.100 0.136 0.000 0.652 589 G HN 1.576 nan 8.290 nan 0.000 0.500 590 A N 0.785 123.764 122.820 0.265 0.000 2.553 590 A HA 0.492 4.812 4.320 0.001 0.000 0.258 590 A C 1.314 178.955 177.584 0.094 0.000 1.069 590 A CA 1.659 53.822 52.037 0.211 0.000 0.767 590 A CB 0.201 19.149 19.000 -0.087 0.000 0.997 590 A HN 0.575 nan 8.150 nan 0.000 0.512 591 K N 1.744 122.206 120.400 0.103 0.000 2.217 591 K HA 0.201 4.521 4.320 0.001 0.000 0.202 591 K C 0.461 177.078 176.600 0.029 0.000 1.051 591 K CA 1.356 57.678 56.287 0.059 0.000 0.952 591 K CB -0.027 32.513 32.500 0.066 0.000 0.736 591 K HN 0.919 nan 8.250 nan 0.000 0.453 592 A N 0.586 123.421 122.820 0.026 0.000 2.547 592 A HA 0.536 4.856 4.320 0.001 0.000 0.297 592 A C -1.712 175.844 177.584 -0.046 0.000 1.056 592 A CA -0.777 51.237 52.037 -0.039 0.000 0.688 592 A CB 1.239 20.225 19.000 -0.024 0.000 1.282 592 A HN 0.137 nan 8.150 nan 0.000 0.400 593 L N 1.950 123.089 121.223 -0.139 0.000 2.356 593 L HA 0.577 4.917 4.340 0.001 0.000 0.277 593 L C -1.466 175.311 176.870 -0.155 0.000 0.996 593 L CA -0.539 54.258 54.840 -0.071 0.000 0.822 593 L CB 1.780 43.812 42.059 -0.045 0.000 1.256 593 L HN 0.823 nan 8.230 nan 0.000 0.413 594 Y N 3.090 123.467 120.300 0.128 0.000 2.487 594 Y HA 0.555 5.106 4.550 0.001 0.000 0.337 594 Y C -0.368 175.634 175.900 0.171 0.000 1.076 594 Y CA -0.677 57.538 58.100 0.191 0.000 1.115 594 Y CB 2.202 40.858 38.460 0.326 0.000 1.235 594 Y HN 0.332 nan 8.280 nan 0.000 0.468 595 L N 1.495 122.893 121.223 0.292 0.000 2.333 595 L HA 0.554 4.894 4.340 0.001 0.000 0.280 595 L C -0.688 176.289 176.870 0.179 0.000 1.004 595 L CA -0.208 54.733 54.840 0.167 0.000 0.820 595 L CB 1.687 43.739 42.059 -0.012 0.000 1.247 595 L HN 0.503 nan 8.230 nan 0.000 0.416 596 S N 4.127 119.972 115.700 0.243 0.000 2.642 596 S HA 0.802 5.272 4.470 0.001 0.000 0.309 596 S C 0.236 174.963 174.600 0.211 0.000 1.125 596 S CA 0.227 58.574 58.200 0.244 0.000 1.055 596 S CB -0.187 63.187 63.200 0.290 0.000 1.157 596 S HN 1.177 nan 8.310 nan 0.000 0.513 597 G N 1.721 110.575 108.800 0.090 0.000 2.340 597 G HA2 0.429 4.390 3.960 0.001 0.000 0.282 597 G HA3 0.429 4.390 3.960 0.001 0.000 0.282 597 G C -1.240 173.581 174.900 -0.132 0.000 1.312 597 G CA -0.396 44.731 45.100 0.044 0.000 0.942 597 G HN 0.817 nan 8.290 nan 0.000 0.495 598 A N -1.042 121.702 122.820 -0.127 0.000 2.306 598 A HA 0.788 5.108 4.320 0.001 0.000 0.330 598 A C 0.638 178.124 177.584 -0.163 0.000 1.146 598 A CA -0.348 51.544 52.037 -0.242 0.000 0.827 598 A CB 0.564 19.484 19.000 -0.133 0.000 1.178 598 A HN 0.985 nan 8.150 nan 0.000 0.490 599 F N 0.569 120.471 119.950 -0.080 0.000 2.365 599 F HA -0.085 4.442 4.527 0.001 0.000 0.300 599 F C 2.446 178.245 175.800 -0.002 0.000 1.090 599 F CA 1.643 59.563 58.000 -0.133 0.000 1.408 599 F CB -0.131 38.748 39.000 -0.201 0.000 1.060 599 F HN 0.743 nan 8.300 nan 0.000 0.534 600 K N 0.589 121.099 120.400 0.183 0.000 2.365 600 K HA -0.113 4.208 4.320 0.001 0.000 0.199 600 K C 1.263 177.972 176.600 0.182 0.000 1.045 600 K CA 1.270 57.645 56.287 0.147 0.000 0.962 600 K CB -0.540 32.006 32.500 0.077 0.000 0.759 600 K HN 0.301 nan 8.250 nan 0.000 0.469 601 E N 0.251 120.592 120.200 0.234 0.000 2.338 601 E HA -0.083 4.268 4.350 0.001 0.000 0.197 601 E C 0.983 177.708 176.600 0.208 0.000 1.007 601 E CA 0.707 57.241 56.400 0.224 0.000 0.849 601 E CB -0.140 29.722 29.700 0.270 0.000 0.774 601 E HN 0.328 nan 8.360 nan 0.000 0.506 602 F N 0.167 120.176 119.950 0.098 0.000 2.710 602 F HA 0.113 4.640 4.527 0.001 0.000 0.298 602 F C 1.893 177.732 175.800 0.065 0.000 1.137 602 F CA 0.700 58.754 58.000 0.090 0.000 1.444 602 F CB -0.245 38.791 39.000 0.061 0.000 1.111 602 F HN 0.050 nan 8.300 nan 0.000 0.580 603 G N 0.881 109.808 108.800 0.212 0.000 2.634 603 G HA2 -0.408 3.553 3.960 0.001 0.000 0.318 603 G HA3 -0.408 3.553 3.960 0.001 0.000 0.318 603 G C 1.114 176.082 174.900 0.113 0.000 1.207 603 G CA 0.654 45.829 45.100 0.125 0.000 0.987 603 G HN 0.275 nan 8.290 nan 0.000 0.547 604 D N 1.263 121.715 120.400 0.086 0.000 2.218 604 D HA -0.056 4.585 4.640 0.001 0.000 0.204 604 D C 1.523 177.866 176.300 0.071 0.000 0.976 604 D CA 1.385 55.423 54.000 0.064 0.000 0.853 604 D CB -0.181 40.648 40.800 0.047 0.000 0.939 604 D HN 0.466 nan 8.370 nan 0.000 0.481 605 D N 0.581 121.052 120.400 0.118 0.000 2.349 605 D HA 0.056 4.697 4.640 0.001 0.000 0.224 605 D C 1.975 178.326 176.300 0.084 0.000 1.029 605 D CA 0.050 54.131 54.000 0.135 0.000 0.879 605 D CB 0.229 41.182 40.800 0.255 0.000 0.906 605 D HN 0.067 nan 8.370 nan 0.000 0.528 606 A N 1.625 124.486 122.820 0.068 0.000 1.884 606 A HA -0.212 4.109 4.320 0.001 0.000 0.219 606 A C 2.372 179.838 177.584 -0.197 0.000 1.197 606 A CA 2.377 54.385 52.037 -0.049 0.000 0.637 606 A CB -0.732 18.284 19.000 0.027 0.000 0.827 606 A HN 0.270 nan 8.150 nan 0.000 0.450 607 A N -0.824 121.915 122.820 -0.135 0.000 1.858 607 A HA -0.197 4.123 4.320 0.001 0.000 0.216 607 A C 1.979 179.448 177.584 -0.192 0.000 1.190 607 A CA 1.857 53.792 52.037 -0.169 0.000 0.617 607 A CB -0.717 18.222 19.000 -0.103 0.000 0.827 607 A HN 0.639 nan 8.150 nan 0.000 0.443 608 E N -0.493 119.630 120.200 -0.129 0.000 2.049 608 E HA -0.198 4.153 4.350 0.001 0.000 0.198 608 E C 2.352 178.844 176.600 -0.180 0.000 1.007 608 E CA 1.188 57.520 56.400 -0.113 0.000 0.809 608 E CB -0.324 29.351 29.700 -0.043 0.000 0.749 608 E HN 0.597 nan 8.360 nan 0.000 0.450 609 A N 1.423 124.089 122.820 -0.256 0.000 1.903 609 A HA -0.299 4.022 4.320 0.001 0.000 0.219 609 A C 2.126 179.413 177.584 -0.496 0.000 1.191 609 A CA 1.793 53.567 52.037 -0.438 0.000 0.638 609 A CB -0.634 17.776 19.000 -0.984 0.000 0.823 609 A HN 0.230 nan 8.150 nan 0.000 0.451 610 E N 0.256 120.040 120.200 -0.694 0.000 2.118 610 E HA -0.222 4.129 4.350 0.001 0.000 0.195 610 E C 1.949 178.272 176.600 -0.462 0.000 0.992 610 E CA 1.582 57.438 56.400 -0.906 0.000 0.804 610 E CB -0.211 28.875 29.700 -1.022 0.000 0.741 610 E HN 0.696 nan 8.360 nan 0.000 0.458 611 K N -0.031 120.187 120.400 -0.302 0.000 2.097 611 K HA -0.111 4.210 4.320 0.001 0.000 0.206 611 K C 2.342 178.852 176.600 -0.149 0.000 1.049 611 K CA 1.122 57.296 56.287 -0.189 0.000 0.933 611 K CB -0.117 32.297 32.500 -0.142 0.000 0.717 611 K HN 0.199 nan 8.250 nan 0.000 0.442 612 L N 0.646 121.782 121.223 -0.144 0.000 2.270 612 L HA 0.073 4.413 4.340 0.001 0.000 0.210 612 L C 0.908 177.722 176.870 -0.093 0.000 1.104 612 L CA 0.186 54.968 54.840 -0.098 0.000 0.804 612 L CB -0.088 41.928 42.059 -0.072 0.000 0.937 612 L HN 0.042 nan 8.230 nan 0.000 0.450 613 I N 0.165 120.674 120.570 -0.103 0.000 2.342 613 I HA 0.043 4.214 4.170 0.001 0.000 0.291 613 I C 0.184 176.273 176.117 -0.046 0.000 1.010 613 I CA -0.025 61.251 61.300 -0.040 0.000 1.308 613 I CB 1.316 39.388 38.000 0.119 0.000 1.400 613 I HN -0.040 nan 8.210 nan 0.000 0.488 614 D N 3.834 124.155 120.400 -0.133 0.000 2.339 614 D HA 0.285 4.925 4.640 0.001 0.000 0.217 614 D C 0.572 176.780 176.300 -0.153 0.000 1.050 614 D CA 0.364 54.257 54.000 -0.178 0.000 0.856 614 D CB 0.619 41.225 40.800 -0.323 0.000 0.922 614 D HN 0.744 nan 8.370 nan 0.000 0.518 615 G N -0.501 108.265 108.800 -0.057 0.000 2.361 615 G HA2 0.384 4.344 3.960 0.001 0.000 0.299 615 G HA3 0.384 4.344 3.960 0.001 0.000 0.299 615 G C -1.499 173.572 174.900 0.284 0.000 1.544 615 G CA -1.152 44.046 45.100 0.162 0.000 0.860 615 G HN -0.055 nan 8.290 nan 0.000 0.610 616 R N -0.612 120.054 120.500 0.278 0.000 2.832 616 R HA 0.754 5.094 4.340 0.001 0.000 0.271 616 R C -0.521 175.955 176.300 0.293 0.000 0.996 616 R CA -0.893 55.348 56.100 0.235 0.000 0.977 616 R CB 2.149 32.472 30.300 0.038 0.000 1.168 616 R HN 0.353 nan 8.270 nan 0.000 0.482 617 L N 3.875 125.238 121.223 0.233 0.000 2.325 617 L HA 0.607 4.947 4.340 0.001 0.000 0.281 617 L C -1.012 175.980 176.870 0.203 0.000 1.004 617 L CA -0.617 54.285 54.840 0.103 0.000 0.823 617 L CB 0.627 42.714 42.059 0.047 0.000 1.236 617 L HN 0.624 nan 8.230 nan 0.000 0.415 618 F N 1.327 121.304 119.950 0.044 0.000 2.686 618 F HA 0.588 5.115 4.527 0.001 0.000 0.311 618 F C -0.442 175.278 175.800 -0.133 0.000 1.128 618 F CA -1.484 56.425 58.000 -0.151 0.000 0.946 618 F CB 1.480 40.398 39.000 -0.137 0.000 1.336 618 F HN 0.289 nan 8.300 nan 0.000 0.457 619 M N 2.881 122.386 119.600 -0.158 0.000 2.303 619 M HA 0.432 4.913 4.480 0.001 0.000 0.350 619 M C 0.983 177.334 176.300 0.085 0.000 1.518 619 M CA 1.999 57.259 55.300 -0.067 0.000 1.070 619 M CB -0.217 32.308 32.600 -0.125 0.000 1.910 619 M HN 1.414 nan 8.290 nan 0.000 0.458 620 G N 3.775 112.580 108.800 0.009 0.000 2.176 620 G HA2 -0.216 3.745 3.960 0.001 0.000 0.232 620 G HA3 -0.216 3.745 3.960 0.001 0.000 0.232 620 G C 0.158 174.971 174.900 -0.146 0.000 0.986 620 G CA 0.214 45.320 45.100 0.010 0.000 0.643 620 G HN 0.889 nan 8.290 nan 0.000 0.522 621 M N 0.080 119.336 119.600 -0.574 0.000 2.207 621 M HA 0.573 5.054 4.480 0.001 0.000 0.311 621 M C -0.147 175.956 176.300 -0.328 0.000 1.127 621 M CA 0.033 54.829 55.300 -0.839 0.000 1.181 621 M CB 0.523 32.454 32.600 -1.114 0.000 1.409 621 M HN 0.018 nan 8.290 nan 0.000 0.461 622 D N 2.182 122.449 120.400 -0.220 0.000 2.365 622 D HA 0.209 4.849 4.640 0.001 0.000 0.237 622 D C 0.958 177.180 176.300 -0.130 0.000 1.190 622 D CA -0.501 53.435 54.000 -0.107 0.000 0.867 622 D CB 1.288 42.063 40.800 -0.042 0.000 1.050 622 D HN 0.616 nan 8.370 nan 0.000 0.491 623 V N 2.629 122.471 119.914 -0.120 0.000 2.591 623 V HA -0.121 3.999 4.120 0.001 0.000 0.249 623 V C 1.931 177.989 176.094 -0.060 0.000 1.053 623 V CA 0.859 63.075 62.300 -0.140 0.000 1.068 623 V CB -0.582 31.140 31.823 -0.168 0.000 0.689 623 V HN 0.364 nan 8.190 nan 0.000 0.462 624 V N 1.750 121.657 119.914 -0.013 0.000 2.220 624 V HA -0.307 3.814 4.120 0.001 0.000 0.246 624 V C 2.528 178.606 176.094 -0.026 0.000 1.049 624 V CA 2.817 65.097 62.300 -0.033 0.000 1.003 624 V CB -1.066 30.694 31.823 -0.106 0.000 0.634 624 V HN 0.740 nan 8.190 nan 0.000 0.444 625 D N 0.072 120.458 120.400 -0.023 0.000 2.156 625 D HA -0.231 4.409 4.640 0.001 0.000 0.190 625 D C 2.127 178.444 176.300 0.029 0.000 0.998 625 D CA 2.582 56.585 54.000 0.005 0.000 0.842 625 D CB -0.420 40.387 40.800 0.012 0.000 0.974 625 D HN 0.397 nan 8.370 nan 0.000 0.447 626 T N 0.149 114.711 114.554 0.014 0.000 2.624 626 T HA -0.188 4.162 4.350 0.001 0.000 0.268 626 T C 2.068 176.792 174.700 0.040 0.000 1.041 626 T CA 1.575 63.697 62.100 0.037 0.000 1.159 626 T CB -0.528 68.300 68.868 -0.067 0.000 0.863 626 T HN 0.168 nan 8.240 nan 0.000 0.434 627 L N 1.328 122.547 121.223 -0.007 0.000 2.046 627 L HA -0.136 4.204 4.340 0.001 0.000 0.208 627 L C 2.969 179.899 176.870 0.100 0.000 1.077 627 L CA 1.569 56.447 54.840 0.065 0.000 0.747 627 L CB -0.797 41.283 42.059 0.034 0.000 0.896 627 L HN 0.407 nan 8.230 nan 0.000 0.432 628 S N -1.552 114.188 115.700 0.067 0.000 2.368 628 S HA -0.222 4.249 4.470 0.001 0.000 0.225 628 S C 2.180 176.832 174.600 0.087 0.000 1.030 628 S CA 1.384 59.622 58.200 0.063 0.000 0.999 628 S CB -0.543 62.676 63.200 0.032 0.000 0.844 628 S HN 0.374 nan 8.310 nan 0.000 0.459 629 S N 1.503 117.269 115.700 0.110 0.000 2.356 629 S HA -0.135 4.336 4.470 0.001 0.000 0.223 629 S C 1.981 176.694 174.600 0.188 0.000 1.032 629 S CA 1.998 60.283 58.200 0.141 0.000 1.005 629 S CB -1.303 61.995 63.200 0.163 0.000 0.867 629 S HN 0.719 nan 8.310 nan 0.000 0.449 630 T N 2.787 117.485 114.554 0.239 0.000 2.746 630 T HA -0.001 4.349 4.350 0.001 0.000 0.267 630 T C 1.759 176.555 174.700 0.160 0.000 1.039 630 T CA 1.552 63.805 62.100 0.256 0.000 1.142 630 T CB -0.432 68.603 68.868 0.278 0.000 0.866 630 T HN 0.318 nan 8.240 nan 0.000 0.444 631 L N 0.834 122.134 121.223 0.129 0.000 2.017 631 L HA -0.113 4.228 4.340 0.001 0.000 0.208 631 L C 2.551 179.469 176.870 0.080 0.000 1.073 631 L CA 1.214 56.109 54.840 0.092 0.000 0.745 631 L CB -0.658 41.450 42.059 0.081 0.000 0.894 631 L HN 0.125 nan 8.230 nan 0.000 0.432 632 D N 0.548 120.997 120.400 0.081 0.000 2.108 632 D HA -0.222 4.418 4.640 0.001 0.000 0.190 632 D C 2.228 178.571 176.300 0.072 0.000 0.995 632 D CA 1.612 55.653 54.000 0.068 0.000 0.834 632 D CB -0.391 40.449 40.800 0.067 0.000 0.967 632 D HN 0.264 nan 8.370 nan 0.000 0.446 633 I N 0.506 121.131 120.570 0.092 0.000 2.185 633 I HA -0.274 3.896 4.170 0.001 0.000 0.246 633 I C 2.241 178.403 176.117 0.075 0.000 1.088 633 I CA 0.917 62.270 61.300 0.088 0.000 1.347 633 I CB -0.293 37.779 38.000 0.121 0.000 1.041 633 I HN 0.001 nan 8.210 nan 0.000 0.415 634 L N 0.459 121.727 121.223 0.075 0.000 2.622 634 L HA 0.042 4.383 4.340 0.001 0.000 0.233 634 L C 1.647 178.542 176.870 0.043 0.000 1.156 634 L CA 0.694 55.568 54.840 0.056 0.000 0.866 634 L CB -0.588 41.501 42.059 0.051 0.000 0.980 634 L HN 0.578 nan 8.230 nan 0.000 0.448 635 G N -0.290 108.536 108.800 0.043 0.000 2.143 635 G HA2 -0.257 3.704 3.960 0.001 0.000 0.249 635 G HA3 -0.257 3.704 3.960 0.001 0.000 0.249 635 G C 0.318 175.238 174.900 0.033 0.000 0.981 635 G CA 0.090 45.210 45.100 0.034 0.000 0.665 635 G HN 0.108 nan 8.290 nan 0.000 0.528 636 V N 1.306 121.242 119.914 0.038 0.000 2.740 636 V HA 0.490 4.610 4.120 0.001 0.000 0.303 636 V C 1.508 177.622 176.094 0.034 0.000 1.054 636 V CA 0.237 62.559 62.300 0.036 0.000 1.106 636 V CB 0.960 32.809 31.823 0.043 0.000 0.957 636 V HN 1.220 nan 8.190 nan 0.000 0.486 637 A N 5.859 128.696 122.820 0.029 0.000 2.504 637 A HA 0.408 4.729 4.320 0.001 0.000 0.242 637 A C 0.632 178.232 177.584 0.027 0.000 1.100 637 A CA 0.643 52.695 52.037 0.026 0.000 0.786 637 A CB 0.051 19.065 19.000 0.023 0.000 1.050 637 A HN 1.023 nan 8.150 nan 0.000 0.512 638 K N 0.000 120.414 120.400 0.023 0.000 2.780 638 K HA 0.000 4.321 4.320 0.001 0.000 0.191 638 K CA 0.000 56.299 56.287 0.020 0.000 0.838 638 K CB 0.000 32.512 32.500 0.020 0.000 1.064 638 K HN 0.000 nan 8.250 nan 0.000 0.543