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 3c4x_1_A DATA FIRST_RESID 30 DATA SEQUENCE SRDRKYLARL KLPPLSKCEA LRESLDLGFE GMCLEQPIGK RLFQQFLRTH DATA SEQUENCE EQHGPALQLW KDIEDYDTAD DALRPQKAQA LRAAYLEPQA QLFCSFLDAE DATA SEQUENCE TVARARAGAG DGLFQPLLRA VLAHLGQAPF QEFLDSLYFL RFLQWKWLEA DATA SEQUENCE QPMGEDWFLD FRVLGRGGFG EVFACQMKAT GKLYACKKLN KKRLKKRKGY DATA SEQUENCE QGAMVEKKIL AKVHSRFIVS LAYAFETKTD LCLVMTIMNG GDIRYHIYNV DATA SEQUENCE DEDNPGFQEP RAIFYTAQIV SGLEHLHQRN IIYRDLKPEN VLLDDDGNVR DATA SEQUENCE ISDLGLAVEL KAGQTKTKGY AGTPGFMAPE LLLGEEYDFS VDYFALGVTL DATA SEQUENCE YEMIAARGPF RARGEKVENK ELKQRVLEQA VTYPDKFSPA SKDFCEALLQ DATA SEQUENCE KDPEKRLGFR DGSCDGLRTH PLFRDISWRQ LEAGMLTPPF VPDXXXXXXX DATA SEQUENCE XIQDVGAFST VKGVAFEKAD TEFFQEFASG TCPIPWQEEM IETGVFGDLN DATA SEQUENCE VWRP 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 30 S HA 0.000 nan 4.470 nan 0.000 0.327 30 S C 0.000 174.582 174.600 -0.029 0.000 1.055 30 S CA 0.000 58.173 58.200 -0.045 0.000 1.107 30 S CB 0.000 63.180 63.200 -0.033 0.000 0.593 31 R N 0.351 120.835 120.500 -0.027 0.000 5.732 31 R HA 0.130 4.472 4.340 0.002 0.000 0.241 31 R C -2.788 173.509 176.300 -0.005 0.000 0.916 31 R CA -0.445 55.648 56.100 -0.012 0.000 1.345 31 R CB -0.928 29.376 30.300 0.008 0.000 1.279 31 R HN 0.136 nan 8.270 nan 0.000 0.712 32 D N 1.669 122.072 120.400 0.005 0.000 2.280 32 D HA 0.260 4.902 4.640 0.002 0.000 0.243 32 D C 0.992 177.300 176.300 0.013 0.000 1.129 32 D CA -0.450 53.562 54.000 0.021 0.000 0.848 32 D CB 1.206 42.054 40.800 0.080 0.000 1.107 32 D HN 0.486 nan 8.370 nan 0.000 0.471 33 R N 3.101 123.592 120.500 -0.015 0.000 2.112 33 R HA -0.226 4.116 4.340 0.002 0.000 0.242 33 R C 1.892 178.141 176.300 -0.085 0.000 1.137 33 R CA 1.499 57.577 56.100 -0.038 0.000 0.944 33 R CB -0.125 30.148 30.300 -0.045 0.000 0.857 33 R HN 0.445 nan 8.270 nan 0.000 0.435 34 K N -0.079 120.237 120.400 -0.140 0.000 2.089 34 K HA -0.224 4.097 4.320 0.002 0.000 0.210 34 K C 1.835 178.145 176.600 -0.483 0.000 1.048 34 K CA 1.869 57.964 56.287 -0.319 0.000 0.926 34 K CB -0.115 32.138 32.500 -0.412 0.000 0.714 34 K HN 0.210 nan 8.250 nan 0.000 0.448 35 Y N -0.583 119.545 120.300 -0.287 0.000 2.347 35 Y HA -0.049 4.503 4.550 0.002 0.000 0.294 35 Y C 1.884 177.659 175.900 -0.209 0.000 1.117 35 Y CA 0.259 58.083 58.100 -0.460 0.000 1.184 35 Y CB -0.103 37.948 38.460 -0.682 0.000 1.047 35 Y HN 0.032 nan 8.280 nan 0.000 0.546 36 L N 0.670 121.915 121.223 0.036 0.000 2.043 36 L HA -0.217 4.125 4.340 0.002 0.000 0.212 36 L C 2.329 179.236 176.870 0.063 0.000 1.075 36 L CA 2.074 56.962 54.840 0.080 0.000 0.752 36 L CB -1.074 41.017 42.059 0.054 0.000 0.891 36 L HN 0.173 nan 8.230 nan 0.000 0.432 37 A N -0.865 121.951 122.820 -0.006 0.000 2.070 37 A HA -0.190 4.132 4.320 0.002 0.000 0.220 37 A C 2.298 179.892 177.584 0.017 0.000 1.159 37 A CA 1.550 53.579 52.037 -0.014 0.000 0.656 37 A CB -0.547 18.416 19.000 -0.062 0.000 0.800 37 A HN 0.562 nan 8.150 nan 0.000 0.453 38 R N -0.945 119.579 120.500 0.041 0.000 2.276 38 R HA 0.229 4.570 4.340 0.002 0.000 0.196 38 R C -0.264 176.203 176.300 0.279 0.000 0.961 38 R CA -0.043 56.142 56.100 0.143 0.000 1.024 38 R CB -0.117 30.282 30.300 0.165 0.000 0.940 38 R HN 0.377 nan 8.270 nan 0.000 0.480 39 L N 2.759 124.152 121.223 0.285 0.000 2.401 39 L HA 0.164 4.505 4.340 0.002 0.000 0.283 39 L C -0.281 176.689 176.870 0.166 0.000 1.151 39 L CA 0.219 55.244 54.840 0.309 0.000 0.942 39 L CB 0.123 42.398 42.059 0.359 0.000 1.283 39 L HN -0.177 nan 8.230 nan 0.000 0.442 40 K N 4.310 124.789 120.400 0.133 0.000 2.535 40 K HA 0.435 4.757 4.320 0.002 0.000 0.250 40 K C -0.603 175.963 176.600 -0.056 0.000 0.948 40 K CA -0.691 55.601 56.287 0.009 0.000 0.796 40 K CB 2.717 35.217 32.500 0.001 0.000 1.216 40 K HN 0.372 nan 8.250 nan 0.000 0.432 41 L N 5.051 126.148 121.223 -0.210 0.000 2.578 41 L HA 0.049 4.390 4.340 0.002 0.000 0.279 41 L C -1.453 175.237 176.870 -0.300 0.000 1.227 41 L CA -0.854 53.802 54.840 -0.306 0.000 0.900 41 L CB -0.218 41.596 42.059 -0.410 0.000 1.144 41 L HN 0.296 nan 8.230 nan 0.000 0.496 42 P HA 0.399 nan 4.420 nan 0.000 0.280 42 P C -2.643 174.367 177.300 -0.482 0.000 1.272 42 P CA -1.924 60.781 63.100 -0.659 0.000 0.819 42 P CB 0.283 31.079 31.700 -1.507 0.000 1.122 43 P HA 0.122 nan 4.420 nan 0.000 0.269 43 P C 1.235 178.357 177.300 -0.297 0.000 1.217 43 P CA 0.012 62.936 63.100 -0.292 0.000 0.783 43 P CB 0.359 31.915 31.700 -0.239 0.000 0.898 44 L N 0.955 122.059 121.223 -0.199 0.000 2.093 44 L HA -0.180 4.161 4.340 0.002 0.000 0.208 44 L C 2.312 179.095 176.870 -0.143 0.000 1.085 44 L CA 2.013 56.756 54.840 -0.161 0.000 0.755 44 L CB -0.828 41.170 42.059 -0.103 0.000 0.904 44 L HN 0.466 nan 8.230 nan 0.000 0.435 45 S N -0.645 114.978 115.700 -0.129 0.000 2.442 45 S HA -0.183 4.289 4.470 0.002 0.000 0.236 45 S C 1.742 176.284 174.600 -0.096 0.000 1.007 45 S CA 0.833 58.978 58.200 -0.092 0.000 0.965 45 S CB -0.310 62.843 63.200 -0.078 0.000 0.773 45 S HN 0.402 nan 8.310 nan 0.000 0.504 46 K N 0.026 120.320 120.400 -0.177 0.000 2.459 46 K HA 0.167 4.489 4.320 0.002 0.000 0.193 46 K C 0.529 177.078 176.600 -0.085 0.000 1.030 46 K CA 0.471 56.656 56.287 -0.170 0.000 1.026 46 K CB -0.156 32.090 32.500 -0.423 0.000 0.809 46 K HN 0.470 nan 8.250 nan 0.000 0.504 47 C N 0.666 119.908 119.300 -0.097 0.000 2.884 47 C HA 0.185 4.646 4.460 0.002 0.000 0.287 47 C C 1.696 176.700 174.990 0.023 0.000 1.310 47 C CA -0.543 58.477 59.018 0.003 0.000 1.725 47 C CB -0.764 26.938 27.740 -0.063 0.000 2.060 47 C HN 0.449 nan 8.230 nan 0.000 0.618 48 E N 2.121 122.331 120.200 0.017 0.000 2.072 48 E HA -0.128 4.224 4.350 0.002 0.000 0.191 48 E C 2.384 179.013 176.600 0.048 0.000 0.985 48 E CA 1.392 57.808 56.400 0.027 0.000 0.801 48 E CB -0.070 29.639 29.700 0.015 0.000 0.750 48 E HN 0.666 nan 8.360 nan 0.000 0.452 49 A N 1.129 123.984 122.820 0.060 0.000 1.859 49 A HA -0.230 4.091 4.320 0.002 0.000 0.217 49 A C 2.172 179.796 177.584 0.066 0.000 1.198 49 A CA 1.469 53.542 52.037 0.061 0.000 0.629 49 A CB -0.904 18.136 19.000 0.067 0.000 0.830 49 A HN 0.143 nan 8.150 nan 0.000 0.446 50 L N -0.545 120.727 121.223 0.083 0.000 2.043 50 L HA -0.244 4.097 4.340 0.002 0.000 0.212 50 L C 2.745 179.672 176.870 0.095 0.000 1.075 50 L CA 1.768 56.656 54.840 0.080 0.000 0.752 50 L CB -0.546 41.565 42.059 0.086 0.000 0.891 50 L HN 0.309 nan 8.230 nan 0.000 0.432 51 R N -0.252 120.303 120.500 0.091 0.000 2.159 51 R HA -0.213 4.128 4.340 0.002 0.000 0.249 51 R C 2.143 178.524 176.300 0.136 0.000 1.136 51 R CA 1.938 58.112 56.100 0.124 0.000 0.951 51 R CB -0.535 29.824 30.300 0.098 0.000 0.876 51 R HN 0.513 nan 8.270 nan 0.000 0.440 52 E N 0.267 120.524 120.200 0.095 0.000 2.022 52 E HA -0.033 4.318 4.350 0.002 0.000 0.190 52 E C 0.922 177.570 176.600 0.079 0.000 0.973 52 E CA 0.686 57.135 56.400 0.081 0.000 0.816 52 E CB -0.338 29.397 29.700 0.057 0.000 0.781 52 E HN 0.240 nan 8.360 nan 0.000 0.456 53 S N 1.761 117.499 115.700 0.063 0.000 3.806 53 S HA 0.239 4.711 4.470 0.002 0.000 0.218 53 S C 0.046 174.684 174.600 0.064 0.000 1.146 53 S CA -0.042 58.189 58.200 0.052 0.000 1.030 53 S CB -0.613 62.607 63.200 0.034 0.000 1.617 53 S HN 0.160 nan 8.310 nan 0.000 0.487 54 L N 1.003 122.277 121.223 0.085 0.000 2.794 54 L HA 0.457 4.798 4.340 0.002 0.000 0.261 54 L C -1.521 175.425 176.870 0.125 0.000 0.989 54 L CA -0.399 54.508 54.840 0.112 0.000 0.900 54 L CB 2.002 44.156 42.059 0.158 0.000 1.473 54 L HN 0.415 nan 8.230 nan 0.000 0.414 55 D N 1.885 122.365 120.400 0.134 0.000 2.344 55 D HA 0.200 4.841 4.640 0.002 0.000 0.253 55 D C 0.749 177.148 176.300 0.166 0.000 1.255 55 D CA 0.028 54.101 54.000 0.122 0.000 0.894 55 D CB 0.724 41.581 40.800 0.094 0.000 1.067 55 D HN 0.560 nan 8.370 nan 0.000 0.492 56 L N 3.810 125.122 121.223 0.148 0.000 2.610 56 L HA 0.282 4.624 4.340 0.002 0.000 0.232 56 L C 1.294 178.287 176.870 0.205 0.000 1.149 56 L CA 0.334 55.280 54.840 0.176 0.000 0.872 56 L CB -0.393 41.736 42.059 0.116 0.000 0.992 56 L HN 0.567 nan 8.230 nan 0.000 0.447 57 G N -1.122 107.743 108.800 0.109 0.000 2.272 57 G HA2 -0.140 3.821 3.960 0.002 0.000 0.247 57 G HA3 -0.140 3.821 3.960 0.002 0.000 0.247 57 G C 0.549 175.404 174.900 -0.075 0.000 1.272 57 G CA -0.102 45.009 45.100 0.019 0.000 0.921 57 G HN 0.310 nan 8.290 nan 0.000 0.495 58 F N 2.012 121.661 119.950 -0.502 0.000 2.095 58 F HA -0.134 4.394 4.527 0.002 0.000 0.298 58 F C 2.288 177.736 175.800 -0.586 0.000 1.104 58 F CA 2.248 59.641 58.000 -1.012 0.000 1.232 58 F CB -0.131 37.935 39.000 -1.557 0.000 0.987 58 F HN 0.643 nan 8.300 nan 0.000 0.475 59 E N -0.304 119.513 120.200 -0.637 0.000 2.085 59 E HA -0.167 4.184 4.350 0.002 0.000 0.194 59 E C 2.456 178.796 176.600 -0.434 0.000 0.994 59 E CA 1.304 57.341 56.400 -0.604 0.000 0.801 59 E CB -0.777 28.742 29.700 -0.303 0.000 0.743 59 E HN 0.536 nan 8.360 nan 0.000 0.453 60 G N 0.588 109.224 108.800 -0.272 0.000 2.408 60 G HA2 -0.237 3.724 3.960 0.002 0.000 0.217 60 G HA3 -0.237 3.724 3.960 0.002 0.000 0.217 60 G C 1.481 176.298 174.900 -0.138 0.000 1.150 60 G CA 0.720 45.729 45.100 -0.152 0.000 0.776 60 G HN 0.234 nan 8.290 nan 0.000 0.542 61 M N -0.478 119.008 119.600 -0.191 0.000 2.191 61 M HA 0.050 4.532 4.480 0.002 0.000 0.262 61 M C 1.897 178.005 176.300 -0.321 0.000 1.083 61 M CA 1.216 56.399 55.300 -0.194 0.000 1.154 61 M CB 0.251 32.782 32.600 -0.116 0.000 1.344 61 M HN 0.239 nan 8.290 nan 0.000 0.431 62 C N -0.297 118.701 119.300 -0.505 0.000 2.926 62 C HA 0.292 4.753 4.460 0.002 0.000 0.272 62 C C 2.126 176.921 174.990 -0.326 0.000 1.249 62 C CA -0.352 58.381 59.018 -0.475 0.000 1.691 62 C CB -0.767 26.488 27.740 -0.808 0.000 1.983 62 C HN 0.541 nan 8.230 nan 0.000 0.615 63 L N 0.176 121.131 121.223 -0.447 0.000 2.433 63 L HA 0.165 4.506 4.340 0.002 0.000 0.200 63 L C 2.341 179.124 176.870 -0.145 0.000 1.059 63 L CA 1.047 55.744 54.840 -0.237 0.000 0.835 63 L CB -0.491 41.345 42.059 -0.372 0.000 1.076 63 L HN 0.186 nan 8.230 nan 0.000 0.481 64 E N -0.123 119.965 120.200 -0.188 0.000 2.190 64 E HA -0.012 4.340 4.350 0.002 0.000 0.191 64 E C 0.393 176.912 176.600 -0.135 0.000 0.978 64 E CA 0.178 56.485 56.400 -0.155 0.000 0.839 64 E CB 0.413 30.013 29.700 -0.165 0.000 0.787 64 E HN 0.359 nan 8.360 nan 0.000 0.473 65 Q N 1.011 120.758 119.800 -0.088 0.000 2.314 65 Q HA 0.081 4.423 4.340 0.002 0.000 0.257 65 Q C -1.958 174.031 176.000 -0.019 0.000 0.975 65 Q CA -1.885 53.911 55.803 -0.012 0.000 0.933 65 Q CB 1.309 30.127 28.738 0.133 0.000 1.195 65 Q HN -0.009 nan 8.270 nan 0.000 0.426 66 P HA -0.220 nan 4.420 nan 0.000 0.216 66 P C 0.782 177.979 177.300 -0.172 0.000 1.153 66 P CA 1.419 64.438 63.100 -0.135 0.000 0.858 66 P CB 0.247 31.842 31.700 -0.176 0.000 0.789 67 I N -0.950 119.540 120.570 -0.133 0.000 2.233 67 I HA -0.117 4.054 4.170 0.002 0.000 0.243 67 I C 2.565 178.779 176.117 0.162 0.000 1.093 67 I CA 1.534 62.727 61.300 -0.178 0.000 1.380 67 I CB -1.261 36.645 38.000 -0.157 0.000 1.067 67 I HN -0.004 nan 8.210 nan 0.000 0.413 68 G N 1.072 110.082 108.800 0.351 0.000 2.505 68 G HA2 -0.358 3.603 3.960 0.002 0.000 0.220 68 G HA3 -0.358 3.603 3.960 0.002 0.000 0.220 68 G C 1.690 176.612 174.900 0.036 0.000 1.145 68 G CA 1.303 46.471 45.100 0.112 0.000 0.761 68 G HN 0.311 nan 8.290 nan 0.000 0.571 69 K N -0.203 120.202 120.400 0.007 0.000 2.001 69 K HA -0.071 4.251 4.320 0.002 0.000 0.208 69 K C 2.816 179.430 176.600 0.023 0.000 1.048 69 K CA 0.794 57.091 56.287 0.017 0.000 0.932 69 K CB -0.108 32.359 32.500 -0.055 0.000 0.715 69 K HN 0.005 nan 8.250 nan 0.000 0.437 70 R N 0.790 121.266 120.500 -0.040 0.000 2.112 70 R HA -0.170 4.172 4.340 0.002 0.000 0.242 70 R C 2.397 178.794 176.300 0.163 0.000 1.137 70 R CA 1.559 57.653 56.100 -0.011 0.000 0.944 70 R CB -1.098 29.124 30.300 -0.131 0.000 0.857 70 R HN 0.316 nan 8.270 nan 0.000 0.435 71 L N -0.513 120.898 121.223 0.313 0.000 2.083 71 L HA -0.160 4.181 4.340 0.002 0.000 0.209 71 L C 2.393 179.530 176.870 0.446 0.000 1.083 71 L CA 0.877 56.029 54.840 0.521 0.000 0.752 71 L CB -0.436 42.066 42.059 0.738 0.000 0.899 71 L HN 0.046 nan 8.230 nan 0.000 0.433 72 F N 0.791 120.751 119.950 0.017 0.000 2.146 72 F HA -0.216 4.313 4.527 0.003 0.000 0.298 72 F C 2.571 178.368 175.800 -0.004 0.000 1.096 72 F CA 1.553 59.374 58.000 -0.299 0.000 1.275 72 F CB -0.330 38.401 39.000 -0.449 0.000 1.008 72 F HN 0.081 nan 8.300 nan 0.000 0.480 73 Q N -0.381 119.370 119.800 -0.082 0.000 2.119 73 Q HA -0.214 4.128 4.340 0.002 0.000 0.201 73 Q C 2.196 178.114 176.000 -0.137 0.000 0.972 73 Q CA 1.530 57.222 55.803 -0.184 0.000 0.847 73 Q CB -0.321 28.296 28.738 -0.201 0.000 0.903 73 Q HN 0.583 nan 8.270 nan 0.000 0.433 74 Q N -0.097 119.672 119.800 -0.051 0.000 2.084 74 Q HA -0.184 4.157 4.340 0.002 0.000 0.202 74 Q C 1.871 177.639 176.000 -0.386 0.000 0.978 74 Q CA 1.361 57.114 55.803 -0.085 0.000 0.844 74 Q CB -0.209 28.609 28.738 0.133 0.000 0.898 74 Q HN 0.319 nan 8.270 nan 0.000 0.426 75 F N 1.206 120.748 119.950 -0.681 0.000 2.095 75 F HA -0.217 4.312 4.527 0.003 0.000 0.298 75 F C 1.737 177.411 175.800 -0.210 0.000 1.104 75 F CA 1.375 58.987 58.000 -0.646 0.000 1.232 75 F CB -0.159 38.753 39.000 -0.147 0.000 0.987 75 F HN -0.043 nan 8.300 nan 0.000 0.475 76 L N -0.026 121.021 121.223 -0.293 0.000 2.141 76 L HA -0.154 4.187 4.340 0.002 0.000 0.209 76 L C 2.509 179.283 176.870 -0.160 0.000 1.094 76 L CA 1.256 55.928 54.840 -0.279 0.000 0.763 76 L CB -0.642 41.241 42.059 -0.293 0.000 0.908 76 L HN 0.114 nan 8.230 nan 0.000 0.437 77 R N 0.695 121.099 120.500 -0.159 0.000 2.115 77 R HA -0.114 4.227 4.340 0.002 0.000 0.226 77 R C 2.085 178.323 176.300 -0.104 0.000 1.100 77 R CA 1.898 57.940 56.100 -0.097 0.000 0.980 77 R CB -0.688 29.568 30.300 -0.074 0.000 0.875 77 R HN 0.396 nan 8.270 nan 0.000 0.445 78 T N -2.770 111.692 114.554 -0.154 0.000 3.107 78 T HA 0.122 4.473 4.350 0.002 0.000 0.249 78 T C -0.327 174.163 174.700 -0.351 0.000 1.096 78 T CA -0.153 61.835 62.100 -0.187 0.000 1.012 78 T CB -0.335 68.451 68.868 -0.137 0.000 0.977 78 T HN 0.191 nan 8.240 nan 0.000 0.527 79 H N 1.008 119.915 119.070 -0.273 0.000 2.685 79 H HA 0.416 4.974 4.556 0.003 0.000 0.307 79 H C 1.009 176.228 175.328 -0.182 0.000 1.017 79 H CA -0.614 55.288 56.048 -0.245 0.000 1.237 79 H CB 1.462 31.017 29.762 -0.344 0.000 1.409 79 H HN 0.180 nan 8.280 nan 0.000 0.488 80 E N 2.717 122.866 120.200 -0.085 0.000 2.118 80 E HA -0.278 4.073 4.350 0.002 0.000 0.195 80 E C 1.401 177.957 176.600 -0.073 0.000 0.992 80 E CA 1.543 57.904 56.400 -0.065 0.000 0.804 80 E CB 0.344 30.010 29.700 -0.057 0.000 0.741 80 E HN 0.819 nan 8.360 nan 0.000 0.458 81 Q N -0.674 119.033 119.800 -0.155 0.000 2.181 81 Q HA -0.184 4.158 4.340 0.002 0.000 0.205 81 Q C 1.317 177.192 176.000 -0.209 0.000 0.980 81 Q CA 1.523 57.198 55.803 -0.215 0.000 0.862 81 Q CB -0.331 28.209 28.738 -0.329 0.000 0.905 81 Q HN 0.410 nan 8.270 nan 0.000 0.429 82 H N -0.169 118.904 119.070 0.004 0.000 2.526 82 H HA 0.214 4.771 4.556 0.002 0.000 0.274 82 H C 1.914 177.240 175.328 -0.004 0.000 0.999 82 H CA 0.518 56.558 56.048 -0.014 0.000 1.157 82 H CB 0.139 29.854 29.762 -0.079 0.000 1.407 82 H HN 0.493 nan 8.280 nan 0.000 0.568 83 G N 2.445 111.296 108.800 0.084 0.000 2.446 83 G HA2 -0.210 3.751 3.960 0.002 0.000 0.217 83 G HA3 -0.210 3.751 3.960 0.002 0.000 0.217 83 G C -0.626 174.345 174.900 0.118 0.000 1.168 83 G CA 0.288 45.434 45.100 0.076 0.000 0.771 83 G HN 0.376 nan 8.290 nan 0.000 0.551 84 P HA 0.105 nan 4.420 nan 0.000 0.220 84 P C 2.017 179.418 177.300 0.167 0.000 1.152 84 P CA 1.569 64.791 63.100 0.202 0.000 0.812 84 P CB -0.024 31.805 31.700 0.216 0.000 0.792 85 A N -0.004 122.929 122.820 0.189 0.000 1.855 85 A HA -0.147 4.174 4.320 0.002 0.000 0.215 85 A C 2.129 179.794 177.584 0.135 0.000 1.191 85 A CA 1.429 53.563 52.037 0.163 0.000 0.613 85 A CB -1.696 17.322 19.000 0.030 0.000 0.829 85 A HN 0.163 nan 8.150 nan 0.000 0.442 86 L N -0.357 120.948 121.223 0.138 0.000 2.012 86 L HA -0.229 4.113 4.340 0.002 0.000 0.210 86 L C 2.399 179.325 176.870 0.093 0.000 1.073 86 L CA 2.369 57.304 54.840 0.159 0.000 0.748 86 L CB -0.677 41.415 42.059 0.056 0.000 0.891 86 L HN 0.386 nan 8.230 nan 0.000 0.431 87 Q N -0.752 119.075 119.800 0.045 0.000 2.079 87 Q HA -0.170 4.172 4.340 0.002 0.000 0.200 87 Q C 2.292 178.183 176.000 -0.181 0.000 0.974 87 Q CA 1.716 57.533 55.803 0.023 0.000 0.840 87 Q CB -0.681 28.166 28.738 0.183 0.000 0.898 87 Q HN 0.521 nan 8.270 nan 0.000 0.430 88 L N 0.065 120.996 121.223 -0.486 0.000 2.017 88 L HA -0.152 4.189 4.340 0.002 0.000 0.208 88 L C 2.023 178.784 176.870 -0.181 0.000 1.073 88 L CA 1.753 56.133 54.840 -0.766 0.000 0.745 88 L CB -0.808 40.844 42.059 -0.677 0.000 0.894 88 L HN 0.280 nan 8.230 nan 0.000 0.432 89 W N 1.107 122.286 121.300 -0.202 0.000 2.315 89 W HA -0.262 4.401 4.660 0.004 0.000 0.323 89 W C 2.580 179.056 176.519 -0.071 0.000 1.233 89 W CA 2.344 59.633 57.345 -0.094 0.000 1.267 89 W CB -0.709 28.724 29.460 -0.045 0.000 1.160 89 W HN 0.149 nan 8.180 nan 0.000 0.474 90 K N -0.486 119.900 120.400 -0.023 0.000 2.044 90 K HA -0.219 4.103 4.320 0.002 0.000 0.210 90 K C 1.627 178.217 176.600 -0.017 0.000 1.049 90 K CA 2.057 58.270 56.287 -0.123 0.000 0.927 90 K CB -0.548 31.881 32.500 -0.117 0.000 0.713 90 K HN -0.021 nan 8.250 nan 0.000 0.443 91 D N 0.418 120.818 120.400 0.001 0.000 2.219 91 D HA -0.074 4.567 4.640 0.002 0.000 0.205 91 D C 1.691 178.035 176.300 0.072 0.000 0.970 91 D CA 0.801 54.831 54.000 0.051 0.000 0.851 91 D CB 0.019 40.881 40.800 0.102 0.000 0.943 91 D HN 0.197 nan 8.370 nan 0.000 0.488 92 I N 0.467 121.069 120.570 0.053 0.000 2.333 92 I HA -0.158 4.013 4.170 0.002 0.000 0.246 92 I C 2.137 178.395 176.117 0.235 0.000 1.106 92 I CA 0.859 62.242 61.300 0.138 0.000 1.411 92 I CB -0.106 37.967 38.000 0.123 0.000 1.082 92 I HN -0.066 nan 8.210 nan 0.000 0.420 93 E N 0.593 120.896 120.200 0.172 0.000 2.110 93 E HA -0.290 4.061 4.350 0.002 0.000 0.193 93 E C 1.616 178.277 176.600 0.103 0.000 0.988 93 E CA 1.573 58.048 56.400 0.126 0.000 0.804 93 E CB -0.077 29.644 29.700 0.036 0.000 0.745 93 E HN 0.408 nan 8.360 nan 0.000 0.458 94 D N -0.250 120.210 120.400 0.100 0.000 2.144 94 D HA -0.210 4.431 4.640 0.002 0.000 0.200 94 D C 1.760 178.146 176.300 0.143 0.000 0.978 94 D CA 0.897 54.954 54.000 0.095 0.000 0.833 94 D CB -0.124 40.729 40.800 0.088 0.000 0.961 94 D HN 0.214 nan 8.370 nan 0.000 0.470 95 Y N 0.781 121.136 120.300 0.092 0.000 2.314 95 Y HA -0.064 4.488 4.550 0.002 0.000 0.293 95 Y C 1.447 177.424 175.900 0.130 0.000 1.129 95 Y CA 1.592 59.771 58.100 0.131 0.000 1.201 95 Y CB -0.177 38.406 38.460 0.204 0.000 0.999 95 Y HN -0.102 nan 8.280 nan 0.000 0.541 96 D N -0.654 119.810 120.400 0.106 0.000 2.219 96 D HA -0.119 4.522 4.640 0.002 0.000 0.205 96 D C 1.873 178.142 176.300 -0.053 0.000 0.970 96 D CA 1.864 55.873 54.000 0.014 0.000 0.851 96 D CB -0.282 40.597 40.800 0.132 0.000 0.943 96 D HN 0.559 nan 8.370 nan 0.000 0.488 97 T N -3.041 111.495 114.554 -0.029 0.000 3.040 97 T HA 0.536 4.888 4.350 0.002 0.000 0.266 97 T C 0.763 175.442 174.700 -0.034 0.000 1.005 97 T CA -0.219 61.869 62.100 -0.021 0.000 0.906 97 T CB 0.342 69.213 68.868 0.006 0.000 1.082 97 T HN 0.044 nan 8.240 nan 0.000 0.531 98 A N 1.997 124.780 122.820 -0.061 0.000 2.386 98 A HA 0.434 4.756 4.320 0.002 0.000 0.246 98 A C 0.170 177.720 177.584 -0.057 0.000 1.089 98 A CA -0.437 51.575 52.037 -0.041 0.000 0.790 98 A CB 0.023 19.011 19.000 -0.021 0.000 1.042 98 A HN 0.550 nan 8.150 nan 0.000 0.497 99 D N 0.386 120.770 120.400 -0.025 0.000 2.344 99 D HA 0.062 4.703 4.640 0.002 0.000 0.244 99 D C 0.052 176.337 176.300 -0.026 0.000 1.134 99 D CA -0.337 53.651 54.000 -0.020 0.000 0.930 99 D CB 0.608 41.405 40.800 -0.004 0.000 1.175 99 D HN 0.504 nan 8.370 nan 0.000 0.437 100 D N 0.736 121.124 120.400 -0.021 0.000 2.221 100 D HA -0.142 4.500 4.640 0.002 0.000 0.204 100 D C 1.813 178.119 176.300 0.010 0.000 0.982 100 D CA 0.883 54.876 54.000 -0.011 0.000 0.857 100 D CB 0.055 40.853 40.800 -0.003 0.000 0.934 100 D HN 0.475 nan 8.370 nan 0.000 0.475 101 A N 0.784 123.611 122.820 0.012 0.000 1.858 101 A HA -0.131 4.190 4.320 0.002 0.000 0.216 101 A C 2.341 179.946 177.584 0.035 0.000 1.190 101 A CA 0.969 53.019 52.037 0.022 0.000 0.617 101 A CB -0.774 18.236 19.000 0.016 0.000 0.827 101 A HN 0.222 nan 8.150 nan 0.000 0.443 102 L N -1.170 120.074 121.223 0.036 0.000 2.395 102 L HA -0.050 4.291 4.340 0.002 0.000 0.218 102 L C 2.673 179.601 176.870 0.097 0.000 1.130 102 L CA 0.415 55.290 54.840 0.058 0.000 0.826 102 L CB -0.398 41.692 42.059 0.051 0.000 0.941 102 L HN 0.332 nan 8.230 nan 0.000 0.451 103 R N 0.470 121.023 120.500 0.089 0.000 2.097 103 R HA -0.172 4.169 4.340 0.002 0.000 0.236 103 R C -0.188 176.279 176.300 0.279 0.000 1.135 103 R CA 1.843 58.048 56.100 0.176 0.000 0.934 103 R CB -1.673 28.661 30.300 0.057 0.000 0.846 103 R HN 0.273 nan 8.270 nan 0.000 0.431 104 P HA -0.242 nan 4.420 nan 0.000 0.216 104 P C 1.189 178.575 177.300 0.143 0.000 1.154 104 P CA 1.337 64.530 63.100 0.156 0.000 0.865 104 P CB -0.151 31.608 31.700 0.098 0.000 0.789 105 Q N 0.346 120.219 119.800 0.122 0.000 2.050 105 Q HA -0.196 4.146 4.340 0.002 0.000 0.202 105 Q C 1.938 178.011 176.000 0.122 0.000 0.980 105 Q CA 1.789 57.652 55.803 0.100 0.000 0.840 105 Q CB -0.324 28.460 28.738 0.078 0.000 0.898 105 Q HN 0.240 nan 8.270 nan 0.000 0.424 106 K N -0.086 120.421 120.400 0.178 0.000 2.057 106 K HA -0.061 4.261 4.320 0.002 0.000 0.206 106 K C 2.141 178.856 176.600 0.192 0.000 1.050 106 K CA 0.970 57.385 56.287 0.212 0.000 0.935 106 K CB -0.147 32.543 32.500 0.318 0.000 0.715 106 K HN 0.227 nan 8.250 nan 0.000 0.439 107 A N 1.526 124.492 122.820 0.243 0.000 1.940 107 A HA -0.251 4.071 4.320 0.002 0.000 0.219 107 A C 2.136 179.796 177.584 0.125 0.000 1.176 107 A CA 1.482 53.611 52.037 0.153 0.000 0.631 107 A CB -0.473 18.651 19.000 0.206 0.000 0.814 107 A HN 0.343 nan 8.150 nan 0.000 0.446 108 Q N -0.714 119.149 119.800 0.106 0.000 2.049 108 Q HA -0.088 4.254 4.340 0.002 0.000 0.198 108 Q C 2.243 178.261 176.000 0.031 0.000 0.971 108 Q CA 1.378 57.221 55.803 0.067 0.000 0.833 108 Q CB -0.294 28.479 28.738 0.058 0.000 0.896 108 Q HN 0.593 nan 8.270 nan 0.000 0.434 109 A N 0.887 123.725 122.820 0.030 0.000 2.019 109 A HA -0.147 4.175 4.320 0.002 0.000 0.219 109 A C 1.992 179.549 177.584 -0.044 0.000 1.164 109 A CA 0.918 52.950 52.037 -0.008 0.000 0.644 109 A CB -0.566 18.442 19.000 0.014 0.000 0.805 109 A HN 0.499 nan 8.150 nan 0.000 0.449 110 L N -0.912 120.304 121.223 -0.011 0.000 2.044 110 L HA -0.116 4.225 4.340 0.002 0.000 0.205 110 L C 2.705 179.566 176.870 -0.014 0.000 1.075 110 L CA 1.341 56.185 54.840 0.007 0.000 0.747 110 L CB -0.254 41.694 42.059 -0.184 0.000 0.903 110 L HN 0.311 nan 8.230 nan 0.000 0.435 111 R N -0.356 120.123 120.500 -0.035 0.000 2.081 111 R HA -0.148 4.194 4.340 0.002 0.000 0.235 111 R C 2.289 178.583 176.300 -0.011 0.000 1.131 111 R CA 1.346 57.447 56.100 0.002 0.000 0.960 111 R CB -0.573 29.756 30.300 0.050 0.000 0.856 111 R HN 0.497 nan 8.270 nan 0.000 0.436 112 A N 0.864 123.660 122.820 -0.040 0.000 1.930 112 A HA -0.063 4.258 4.320 0.002 0.000 0.217 112 A C 2.257 179.767 177.584 -0.122 0.000 1.175 112 A CA 1.655 53.657 52.037 -0.059 0.000 0.627 112 A CB -0.430 18.538 19.000 -0.054 0.000 0.815 112 A HN 0.406 nan 8.150 nan 0.000 0.443 113 A N -1.727 120.933 122.820 -0.266 0.000 1.878 113 A HA 0.176 4.497 4.320 0.002 0.000 0.213 113 A C 1.836 179.156 177.584 -0.440 0.000 1.192 113 A CA 1.239 52.976 52.037 -0.500 0.000 0.619 113 A CB -0.417 17.995 19.000 -0.981 0.000 0.837 113 A HN 0.592 nan 8.150 nan 0.000 0.446 114 Y N -1.334 118.955 120.300 -0.017 0.000 2.444 114 Y HA 0.414 4.966 4.550 0.003 0.000 0.249 114 Y C 1.060 176.925 175.900 -0.058 0.000 1.134 114 Y CA -0.069 57.998 58.100 -0.055 0.000 1.261 114 Y CB 0.489 38.876 38.460 -0.123 0.000 1.143 114 Y HN 0.071 nan 8.280 nan 0.000 0.523 115 L N 0.198 121.504 121.223 0.138 0.000 3.229 115 L HA 0.284 4.626 4.340 0.002 0.000 0.286 115 L C -0.351 176.659 176.870 0.233 0.000 1.239 115 L CA 0.143 55.077 54.840 0.157 0.000 1.035 115 L CB 0.433 42.532 42.059 0.067 0.000 1.408 115 L HN 0.056 nan 8.230 nan 0.000 0.593 116 E N 1.081 121.418 120.200 0.230 0.000 2.158 116 E HA 0.238 4.589 4.350 0.002 0.000 0.271 116 E C -1.890 174.657 176.600 -0.089 0.000 0.911 116 E CA -1.862 54.584 56.400 0.076 0.000 0.767 116 E CB 2.100 31.803 29.700 0.005 0.000 1.120 116 E HN -0.153 nan 8.360 nan 0.000 0.405 117 P HA -0.193 nan 4.420 nan 0.000 0.222 117 P C 0.602 177.492 177.300 -0.683 0.000 1.142 117 P CA 1.446 63.907 63.100 -1.065 0.000 0.788 117 P CB 0.238 31.580 31.700 -0.597 0.000 0.767 118 Q N -1.845 117.764 119.800 -0.318 0.000 2.247 118 Q HA 0.322 4.663 4.340 0.002 0.000 0.211 118 Q C 0.614 176.560 176.000 -0.090 0.000 0.861 118 Q CA -0.360 55.335 55.803 -0.180 0.000 0.949 118 Q CB 0.412 29.076 28.738 -0.124 0.000 1.115 118 Q HN 0.105 nan 8.270 nan 0.000 0.507 119 A N 1.110 123.901 122.820 -0.048 0.000 2.407 119 A HA 0.006 4.327 4.320 0.002 0.000 0.248 119 A C 0.924 178.535 177.584 0.044 0.000 1.082 119 A CA -0.207 51.830 52.037 0.001 0.000 0.785 119 A CB 0.671 19.675 19.000 0.008 0.000 1.020 119 A HN 0.272 nan 8.150 nan 0.000 0.489 120 Q N 0.814 120.623 119.800 0.014 0.000 2.124 120 Q HA -0.074 4.268 4.340 0.002 0.000 0.202 120 Q C 0.510 176.555 176.000 0.075 0.000 0.977 120 Q CA 1.411 57.233 55.803 0.032 0.000 0.850 120 Q CB -0.188 28.554 28.738 0.007 0.000 0.901 120 Q HN 0.775 nan 8.270 nan 0.000 0.429 121 L N 1.121 122.385 121.223 0.067 0.000 2.912 121 L HA 0.244 4.586 4.340 0.002 0.000 0.240 121 L C -0.044 176.951 176.870 0.209 0.000 1.262 121 L CA -0.831 54.093 54.840 0.140 0.000 1.058 121 L CB -0.034 42.112 42.059 0.145 0.000 1.383 121 L HN 0.130 nan 8.230 nan 0.000 0.512 122 F N 0.469 120.441 119.950 0.038 0.000 2.595 122 F HA -0.012 4.517 4.527 0.003 0.000 0.359 122 F C 0.540 176.347 175.800 0.010 0.000 1.147 122 F CA -0.208 57.802 58.000 0.016 0.000 1.341 122 F CB 0.544 39.531 39.000 -0.023 0.000 1.104 122 F HN -0.012 nan 8.300 nan 0.000 0.603 123 C N 6.420 125.023 119.300 -1.161 0.000 2.250 123 C HA 0.197 4.658 4.460 0.002 0.000 0.380 123 C C 1.611 175.867 174.990 -1.224 0.000 1.075 123 C CA -0.287 58.144 59.018 -0.979 0.000 1.577 123 C CB -1.328 25.810 27.740 -1.003 0.000 1.608 123 C HN 1.038 nan 8.230 nan 0.000 0.477 124 S N 2.262 117.629 115.700 -0.556 0.000 2.393 124 S HA -0.282 4.189 4.470 0.002 0.000 0.234 124 S C 1.334 175.771 174.600 -0.272 0.000 1.064 124 S CA 2.173 60.272 58.200 -0.169 0.000 1.088 124 S CB -0.476 62.782 63.200 0.097 0.000 0.939 124 S HN 0.922 nan 8.310 nan 0.000 0.448 125 F N 1.242 121.036 119.950 -0.260 0.000 2.664 125 F HA 0.265 4.794 4.527 0.002 0.000 0.297 125 F C 0.381 176.040 175.800 -0.234 0.000 1.164 125 F CA -0.122 57.703 58.000 -0.291 0.000 1.472 125 F CB -0.936 37.646 39.000 -0.697 0.000 1.108 125 F HN 0.020 nan 8.300 nan 0.000 0.596 126 L N 1.033 121.887 121.223 -0.615 0.000 2.343 126 L HA 0.269 4.611 4.340 0.002 0.000 0.275 126 L C 0.490 177.251 176.870 -0.181 0.000 1.056 126 L CA -0.988 53.617 54.840 -0.391 0.000 0.804 126 L CB 0.460 42.184 42.059 -0.559 0.000 1.203 126 L HN -0.056 nan 8.230 nan 0.000 0.440 127 D N 0.823 121.169 120.400 -0.090 0.000 2.370 127 D HA -0.020 4.621 4.640 0.002 0.000 0.235 127 D C 0.722 177.000 176.300 -0.036 0.000 1.228 127 D CA 0.474 54.450 54.000 -0.040 0.000 0.884 127 D CB 1.167 41.955 40.800 -0.019 0.000 1.201 127 D HN 0.699 nan 8.370 nan 0.000 0.456 128 A N 1.911 124.727 122.820 -0.006 0.000 1.930 128 A HA -0.173 4.148 4.320 0.002 0.000 0.217 128 A C 1.921 179.507 177.584 0.003 0.000 1.175 128 A CA 1.376 53.418 52.037 0.009 0.000 0.627 128 A CB -0.333 18.676 19.000 0.016 0.000 0.815 128 A HN 0.617 nan 8.150 nan 0.000 0.443 129 E N -0.799 119.401 120.200 0.000 0.000 2.204 129 E HA -0.094 4.257 4.350 0.002 0.000 0.194 129 E C 1.959 178.559 176.600 -0.000 0.000 0.989 129 E CA 1.611 58.012 56.400 0.002 0.000 0.824 129 E CB -0.092 29.609 29.700 0.003 0.000 0.756 129 E HN 0.632 nan 8.360 nan 0.000 0.477 130 T N -0.350 114.197 114.554 -0.012 0.000 2.809 130 T HA -0.064 4.288 4.350 0.002 0.000 0.260 130 T C 1.995 176.685 174.700 -0.016 0.000 1.039 130 T CA 0.813 62.904 62.100 -0.016 0.000 1.141 130 T CB -0.124 68.722 68.868 -0.037 0.000 0.869 130 T HN -0.024 nan 8.240 nan 0.000 0.437 131 V N 1.988 121.881 119.914 -0.035 0.000 2.407 131 V HA -0.166 3.955 4.120 0.002 0.000 0.248 131 V C 2.889 178.997 176.094 0.022 0.000 1.055 131 V CA 1.671 63.960 62.300 -0.018 0.000 1.049 131 V CB -1.220 30.598 31.823 -0.009 0.000 0.662 131 V HN 0.521 nan 8.190 nan 0.000 0.455 132 A N 0.095 122.928 122.820 0.021 0.000 1.877 132 A HA -0.217 4.104 4.320 0.002 0.000 0.216 132 A C 2.388 179.990 177.584 0.031 0.000 1.186 132 A CA 1.832 53.885 52.037 0.026 0.000 0.620 132 A CB -0.488 18.523 19.000 0.018 0.000 0.822 132 A HN 0.492 nan 8.150 nan 0.000 0.443 133 R N -0.501 120.016 120.500 0.027 0.000 2.096 133 R HA -0.069 4.272 4.340 0.002 0.000 0.235 133 R C 2.475 178.807 176.300 0.053 0.000 1.127 133 R CA 1.173 57.291 56.100 0.030 0.000 0.968 133 R CB -0.468 29.846 30.300 0.024 0.000 0.861 133 R HN 0.526 nan 8.270 nan 0.000 0.440 134 A N 1.206 124.078 122.820 0.086 0.000 1.858 134 A HA -0.170 4.151 4.320 0.002 0.000 0.216 134 A C 2.057 179.750 177.584 0.182 0.000 1.190 134 A CA 1.198 53.345 52.037 0.183 0.000 0.617 134 A CB -0.431 18.672 19.000 0.171 0.000 0.827 134 A HN 0.177 nan 8.150 nan 0.000 0.443 135 R N -0.911 119.657 120.500 0.113 0.000 2.139 135 R HA -0.145 4.197 4.340 0.002 0.000 0.243 135 R C 1.987 178.326 176.300 0.065 0.000 1.145 135 R CA 1.397 57.551 56.100 0.091 0.000 0.976 135 R CB -0.301 30.036 30.300 0.062 0.000 0.866 135 R HN 0.541 nan 8.270 nan 0.000 0.449 136 A N -0.004 122.842 122.820 0.044 0.000 2.288 136 A HA 0.243 4.565 4.320 0.002 0.000 0.216 136 A C 1.042 178.625 177.584 -0.002 0.000 1.199 136 A CA 0.263 52.312 52.037 0.020 0.000 0.891 136 A CB 0.288 19.298 19.000 0.016 0.000 0.923 136 A HN 0.310 nan 8.150 nan 0.000 0.500 137 G N -0.936 107.853 108.800 -0.018 0.000 2.699 137 G HA2 0.514 4.476 3.960 0.002 0.000 0.246 137 G HA3 0.514 4.476 3.960 0.002 0.000 0.246 137 G C -0.029 174.816 174.900 -0.091 0.000 1.219 137 G CA 0.418 45.479 45.100 -0.066 0.000 0.866 137 G HN 1.404 nan 8.290 nan 0.000 0.572 138 A N -0.026 122.738 122.820 -0.093 0.000 2.364 138 A HA 0.728 5.049 4.320 0.002 0.000 0.303 138 A C 0.099 177.653 177.584 -0.051 0.000 1.078 138 A CA 0.568 52.563 52.037 -0.071 0.000 0.970 138 A CB 0.413 19.393 19.000 -0.032 0.000 1.497 138 A HN 2.462 nan 8.150 nan 0.000 0.376 139 G N 0.734 109.502 108.800 -0.053 0.000 2.367 139 G HA2 0.378 4.339 3.960 0.002 0.000 0.272 139 G HA3 0.378 4.339 3.960 0.002 0.000 0.272 139 G C -0.270 174.623 174.900 -0.011 0.000 1.271 139 G CA 0.310 45.397 45.100 -0.023 0.000 0.893 139 G HN 0.227 nan 8.290 nan 0.000 0.485 140 D N 0.258 120.658 120.400 0.000 0.000 2.117 140 D HA 0.028 4.670 4.640 0.002 0.000 0.198 140 D C 1.843 178.158 176.300 0.025 0.000 0.982 140 D CA 1.808 55.818 54.000 0.017 0.000 0.828 140 D CB -0.180 40.629 40.800 0.015 0.000 0.967 140 D HN 0.644 nan 8.370 nan 0.000 0.464 141 G N 0.738 109.543 108.800 0.009 0.000 4.699 141 G HA2 0.246 4.208 3.960 0.002 0.000 0.308 141 G HA3 0.246 4.208 3.960 0.002 0.000 0.308 141 G C 0.941 175.831 174.900 -0.016 0.000 1.399 141 G CA -0.353 44.762 45.100 0.024 0.000 1.221 141 G HN 0.020 nan 8.290 nan 0.000 0.596 142 L N 0.067 121.242 121.223 -0.081 0.000 1.989 142 L HA 0.165 4.507 4.340 0.002 0.000 0.211 142 L C 1.522 178.159 176.870 -0.388 0.000 1.071 142 L CA 1.877 56.510 54.840 -0.346 0.000 0.749 142 L CB -0.509 41.176 42.059 -0.623 0.000 0.890 142 L HN 0.361 nan 8.230 nan 0.000 0.431 143 F N -1.335 118.655 119.950 0.067 0.000 2.684 143 F HA 0.199 4.727 4.527 0.002 0.000 0.298 143 F C 1.824 177.649 175.800 0.042 0.000 1.120 143 F CA -0.499 57.513 58.000 0.020 0.000 1.332 143 F CB 0.074 39.057 39.000 -0.029 0.000 0.986 143 F HN 0.093 nan 8.300 nan 0.000 0.524 144 Q N 0.503 120.406 119.800 0.171 0.000 2.172 144 Q HA -0.047 4.294 4.340 0.002 0.000 0.200 144 Q C -0.679 175.372 176.000 0.084 0.000 0.964 144 Q CA 1.083 56.958 55.803 0.120 0.000 0.855 144 Q CB -1.520 27.270 28.738 0.087 0.000 0.918 144 Q HN 0.344 nan 8.270 nan 0.000 0.444 145 P HA -0.107 nan 4.420 nan 0.000 0.219 145 P C 1.512 178.847 177.300 0.058 0.000 1.150 145 P CA 0.683 63.815 63.100 0.053 0.000 0.814 145 P CB -0.036 31.690 31.700 0.043 0.000 0.787 146 L N -0.941 120.339 121.223 0.096 0.000 2.072 146 L HA -0.039 4.303 4.340 0.002 0.000 0.205 146 L C 2.138 179.029 176.870 0.035 0.000 1.079 146 L CA 1.515 56.393 54.840 0.064 0.000 0.752 146 L CB -1.478 40.636 42.059 0.091 0.000 0.906 146 L HN -0.152 nan 8.230 nan 0.000 0.436 147 L N -0.478 120.780 121.223 0.059 0.000 2.083 147 L HA -0.153 4.188 4.340 0.002 0.000 0.209 147 L C 2.676 179.530 176.870 -0.026 0.000 1.083 147 L CA 1.612 56.463 54.840 0.019 0.000 0.752 147 L CB -0.542 41.560 42.059 0.073 0.000 0.899 147 L HN 0.207 nan 8.230 nan 0.000 0.433 148 R N -0.957 119.545 120.500 0.003 0.000 2.096 148 R HA -0.128 4.214 4.340 0.002 0.000 0.235 148 R C 2.221 178.516 176.300 -0.009 0.000 1.127 148 R CA 1.228 57.321 56.100 -0.012 0.000 0.968 148 R CB -0.491 29.811 30.300 0.004 0.000 0.861 148 R HN 0.528 nan 8.270 nan 0.000 0.440 149 A N 0.426 123.256 122.820 0.015 0.000 1.873 149 A HA -0.113 4.208 4.320 0.002 0.000 0.215 149 A C 2.307 179.948 177.584 0.096 0.000 1.186 149 A CA 1.398 53.464 52.037 0.048 0.000 0.616 149 A CB -0.562 18.462 19.000 0.039 0.000 0.823 149 A HN 0.118 nan 8.150 nan 0.000 0.442 150 V N 0.362 120.323 119.914 0.078 0.000 2.287 150 V HA -0.281 3.841 4.120 0.002 0.000 0.248 150 V C 2.582 178.623 176.094 -0.089 0.000 1.053 150 V CA 2.030 64.382 62.300 0.087 0.000 1.027 150 V CB -0.906 30.913 31.823 -0.007 0.000 0.646 150 V HN 0.559 nan 8.190 nan 0.000 0.447 151 L N 0.067 121.181 121.223 -0.182 0.000 2.046 151 L HA -0.165 4.176 4.340 0.002 0.000 0.208 151 L C 2.778 179.581 176.870 -0.112 0.000 1.077 151 L CA 1.549 56.258 54.840 -0.219 0.000 0.747 151 L CB -0.886 41.035 42.059 -0.230 0.000 0.896 151 L HN 0.377 nan 8.230 nan 0.000 0.432 152 A N -0.281 122.497 122.820 -0.071 0.000 1.908 152 A HA -0.309 4.012 4.320 0.002 0.000 0.218 152 A C 2.119 179.630 177.584 -0.121 0.000 1.181 152 A CA 2.125 54.116 52.037 -0.077 0.000 0.627 152 A CB -0.842 18.146 19.000 -0.021 0.000 0.818 152 A HN 0.562 nan 8.150 nan 0.000 0.445 153 H N -0.088 118.884 119.070 -0.164 0.000 2.270 153 H HA -0.019 4.538 4.556 0.002 0.000 0.299 153 H C 1.746 176.872 175.328 -0.337 0.000 1.077 153 H CA 1.975 57.883 56.048 -0.233 0.000 1.294 153 H CB -0.440 29.115 29.762 -0.344 0.000 1.371 153 H HN 0.307 nan 8.280 nan 0.000 0.491 154 L N -0.150 120.779 121.223 -0.491 0.000 2.129 154 L HA -0.154 4.187 4.340 0.002 0.000 0.212 154 L C 2.605 179.038 176.870 -0.729 0.000 1.087 154 L CA 1.241 55.786 54.840 -0.492 0.000 0.757 154 L CB -0.755 41.189 42.059 -0.192 0.000 0.896 154 L HN 0.586 nan 8.230 nan 0.000 0.434 155 G N -1.606 106.596 108.800 -0.996 0.000 2.598 155 G HA2 -0.096 3.866 3.960 0.002 0.000 0.215 155 G HA3 -0.096 3.866 3.960 0.002 0.000 0.215 155 G C 1.280 175.709 174.900 -0.784 0.000 1.131 155 G CA 0.022 44.155 45.100 -1.611 0.000 0.785 155 G HN 0.272 nan 8.290 nan 0.000 0.539 156 Q N 0.148 119.647 119.800 -0.501 0.000 2.827 156 Q HA 0.368 4.709 4.340 0.002 0.000 0.411 156 Q C 2.747 178.620 176.000 -0.211 0.000 1.118 156 Q CA 0.375 56.007 55.803 -0.285 0.000 0.461 156 Q CB -0.849 27.753 28.738 -0.227 0.000 5.129 156 Q HN 0.134 nan 8.270 nan 0.000 0.316 157 A N 1.698 124.404 122.820 -0.189 0.000 1.873 157 A HA -0.155 4.167 4.320 0.002 0.000 0.218 157 A C -0.470 177.053 177.584 -0.102 0.000 1.193 157 A CA 2.028 54.001 52.037 -0.107 0.000 0.629 157 A CB -1.914 17.059 19.000 -0.045 0.000 0.826 157 A HN 0.364 nan 8.150 nan 0.000 0.447 158 P HA -0.194 nan 4.420 nan 0.000 0.215 158 P C 1.464 178.774 177.300 0.017 0.000 1.157 158 P CA 1.311 64.267 63.100 -0.241 0.000 0.874 158 P CB -0.181 31.206 31.700 -0.522 0.000 0.790 159 F N 0.480 120.292 119.950 -0.229 0.000 2.134 159 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 159 F C 2.193 177.877 175.800 -0.194 0.000 1.097 159 F CA 1.609 59.434 58.000 -0.292 0.000 1.264 159 F CB -0.856 37.738 39.000 -0.676 0.000 1.001 159 F HN -0.165 nan 8.300 nan 0.000 0.479 160 Q N 0.714 120.366 119.800 -0.246 0.000 2.135 160 Q HA -0.206 4.135 4.340 0.002 0.000 0.204 160 Q C 2.160 177.991 176.000 -0.281 0.000 0.981 160 Q CA 1.982 57.600 55.803 -0.309 0.000 0.856 160 Q CB -0.478 28.169 28.738 -0.152 0.000 0.902 160 Q HN 0.605 nan 8.270 nan 0.000 0.425 161 E N -0.419 119.689 120.200 -0.153 0.000 2.072 161 E HA -0.154 4.198 4.350 0.002 0.000 0.191 161 E C 1.726 178.134 176.600 -0.319 0.000 0.985 161 E CA 0.732 57.093 56.400 -0.065 0.000 0.801 161 E CB -0.286 29.543 29.700 0.216 0.000 0.750 161 E HN 0.241 nan 8.360 nan 0.000 0.452 162 F N 1.763 121.152 119.950 -0.936 0.000 2.087 162 F HA -0.252 4.276 4.527 0.001 0.000 0.299 162 F C 1.863 177.285 175.800 -0.630 0.000 1.100 162 F CA 1.485 58.706 58.000 -1.299 0.000 1.226 162 F CB -0.245 38.236 39.000 -0.865 0.000 0.983 162 F HN -0.068 nan 8.300 nan 0.000 0.479 163 L N -0.283 120.478 121.223 -0.770 0.000 2.191 163 L HA -0.192 4.149 4.340 0.002 0.000 0.212 163 L C 1.059 177.618 176.870 -0.517 0.000 1.103 163 L CA 1.415 55.664 54.840 -0.985 0.000 0.769 163 L CB -0.652 40.813 42.059 -0.989 0.000 0.908 163 L HN 0.083 nan 8.230 nan 0.000 0.438 164 D N 0.041 120.246 120.400 -0.325 0.000 2.561 164 D HA 0.074 4.716 4.640 0.002 0.000 0.232 164 D C 0.117 176.405 176.300 -0.019 0.000 1.198 164 D CA 0.059 53.984 54.000 -0.124 0.000 0.826 164 D CB 0.157 40.906 40.800 -0.085 0.000 0.992 164 D HN 0.213 nan 8.370 nan 0.000 0.490 165 S N -1.948 113.737 115.700 -0.026 0.000 2.618 165 S HA 0.348 4.820 4.470 0.002 0.000 0.277 165 S C 0.992 175.647 174.600 0.092 0.000 1.138 165 S CA -0.795 57.469 58.200 0.108 0.000 0.844 165 S CB 0.982 64.340 63.200 0.262 0.000 1.127 165 S HN -0.004 nan 8.310 nan 0.000 0.474 166 L N 0.163 121.439 121.223 0.089 0.000 2.201 166 L HA -0.040 4.302 4.340 0.002 0.000 0.212 166 L C 1.907 178.763 176.870 -0.024 0.000 1.105 166 L CA 1.252 56.081 54.840 -0.018 0.000 0.775 166 L CB -0.734 41.252 42.059 -0.122 0.000 0.913 166 L HN 0.745 nan 8.230 nan 0.000 0.440 167 Y N -1.087 119.283 120.300 0.116 0.000 2.224 167 Y HA -0.287 4.265 4.550 0.002 0.000 0.289 167 Y C 2.429 178.384 175.900 0.092 0.000 1.146 167 Y CA 1.607 59.834 58.100 0.211 0.000 1.182 167 Y CB -0.512 38.209 38.460 0.435 0.000 0.983 167 Y HN 0.085 nan 8.280 nan 0.000 0.524 168 F N 0.372 120.104 119.950 -0.362 0.000 2.134 168 F HA -0.200 4.330 4.527 0.004 0.000 0.299 168 F C 1.797 177.600 175.800 0.005 0.000 1.097 168 F CA 1.347 59.039 58.000 -0.514 0.000 1.264 168 F CB -0.717 37.775 39.000 -0.848 0.000 1.001 168 F HN -0.056 nan 8.300 nan 0.000 0.479 169 L N -0.090 120.994 121.223 -0.231 0.000 2.083 169 L HA -0.206 4.136 4.340 0.002 0.000 0.209 169 L C 2.636 179.450 176.870 -0.093 0.000 1.083 169 L CA 1.420 56.108 54.840 -0.253 0.000 0.752 169 L CB -0.676 41.325 42.059 -0.097 0.000 0.899 169 L HN 0.079 nan 8.230 nan 0.000 0.433 170 R N 0.349 120.892 120.500 0.071 0.000 2.096 170 R HA -0.233 4.108 4.340 0.002 0.000 0.235 170 R C 2.142 178.675 176.300 0.387 0.000 1.127 170 R CA 1.585 57.811 56.100 0.209 0.000 0.968 170 R CB -1.002 29.486 30.300 0.314 0.000 0.861 170 R HN 0.245 nan 8.270 nan 0.000 0.440 171 F N 0.516 120.622 119.950 0.261 0.000 2.120 171 F HA -0.189 4.340 4.527 0.002 0.000 0.300 171 F C 1.702 177.622 175.800 0.200 0.000 1.095 171 F CA 1.720 59.913 58.000 0.323 0.000 1.249 171 F CB -0.322 38.863 39.000 0.308 0.000 0.995 171 F HN 0.041 nan 8.300 nan 0.000 0.480 172 L N -0.354 120.830 121.223 -0.066 0.000 2.046 172 L HA -0.257 4.085 4.340 0.002 0.000 0.208 172 L C 2.539 179.386 176.870 -0.039 0.000 1.077 172 L CA 1.574 56.326 54.840 -0.146 0.000 0.747 172 L CB -0.931 40.998 42.059 -0.217 0.000 0.896 172 L HN 0.204 nan 8.230 nan 0.000 0.432 173 Q N -0.897 118.881 119.800 -0.036 0.000 2.112 173 Q HA -0.258 4.083 4.340 0.002 0.000 0.206 173 Q C 2.114 178.131 176.000 0.028 0.000 0.987 173 Q CA 2.258 58.020 55.803 -0.067 0.000 0.858 173 Q CB -0.254 28.370 28.738 -0.190 0.000 0.905 173 Q HN 0.510 nan 8.270 nan 0.000 0.420 174 W N 0.770 122.112 121.300 0.070 0.000 2.388 174 W HA -0.130 4.531 4.660 0.002 0.000 0.294 174 W C 2.234 178.789 176.519 0.060 0.000 1.212 174 W CA 0.382 57.821 57.345 0.157 0.000 1.271 174 W CB 0.167 29.755 29.460 0.213 0.000 1.126 174 W HN -0.016 nan 8.180 nan 0.000 0.535 175 K N -0.774 119.650 120.400 0.041 0.000 2.057 175 K HA -0.208 4.113 4.320 0.002 0.000 0.206 175 K C 1.569 178.145 176.600 -0.040 0.000 1.050 175 K CA 1.466 57.688 56.287 -0.108 0.000 0.935 175 K CB -1.384 30.962 32.500 -0.256 0.000 0.715 175 K HN 0.326 nan 8.250 nan 0.000 0.439 176 W N 1.787 123.011 121.300 -0.127 0.000 2.315 176 W HA -0.283 4.377 4.660 0.001 0.000 0.323 176 W C 2.001 178.437 176.519 -0.138 0.000 1.233 176 W CA 1.493 58.765 57.345 -0.121 0.000 1.267 176 W CB -0.566 28.831 29.460 -0.105 0.000 1.160 176 W HN 0.047 nan 8.180 nan 0.000 0.474 177 L N 1.475 122.866 121.223 0.280 0.000 2.013 177 L HA -0.273 4.068 4.340 0.002 0.000 0.212 177 L C 2.493 179.128 176.870 -0.392 0.000 1.073 177 L CA 2.729 57.627 54.840 0.096 0.000 0.753 177 L CB -1.457 40.826 42.059 0.373 0.000 0.890 177 L HN 0.302 nan 8.230 nan 0.000 0.432 178 E N -1.055 118.780 120.200 -0.608 0.000 2.171 178 E HA -0.260 4.091 4.350 0.002 0.000 0.197 178 E C 1.815 177.918 176.600 -0.828 0.000 0.997 178 E CA 1.192 56.842 56.400 -1.249 0.000 0.810 178 E CB -0.096 29.117 29.700 -0.811 0.000 0.738 178 E HN 0.612 nan 8.360 nan 0.000 0.467 179 A N 0.306 122.763 122.820 -0.605 0.000 2.178 179 A HA 0.031 4.353 4.320 0.002 0.000 0.211 179 A C 0.685 177.939 177.584 -0.551 0.000 1.157 179 A CA -0.151 51.579 52.037 -0.512 0.000 0.780 179 A CB 0.173 18.917 19.000 -0.427 0.000 0.828 179 A HN 0.125 nan 8.150 nan 0.000 0.476 180 Q N 1.245 120.647 119.800 -0.664 0.000 2.361 180 Q HA 0.186 4.528 4.340 0.002 0.000 0.276 180 Q C -2.369 173.377 176.000 -0.422 0.000 1.022 180 Q CA -2.036 53.431 55.803 -0.560 0.000 0.898 180 Q CB -0.246 28.181 28.738 -0.519 0.000 1.246 180 Q HN 0.279 nan 8.270 nan 0.000 0.410 181 P HA -0.023 nan 4.420 nan 0.000 0.261 181 P C -0.619 176.418 177.300 -0.438 0.000 1.183 181 P CA 0.645 63.596 63.100 -0.247 0.000 0.761 181 P CB 0.284 31.924 31.700 -0.099 0.000 0.785 182 M N 2.879 122.139 119.600 -0.567 0.000 1.949 182 M HA 0.334 4.815 4.480 0.002 0.000 0.234 182 M C 0.572 176.565 176.300 -0.513 0.000 0.855 182 M CA -0.204 54.415 55.300 -1.135 0.000 0.800 182 M CB 1.912 33.806 32.600 -1.176 0.000 1.697 182 M HN 0.370 nan 8.290 nan 0.000 0.357 183 G N 0.641 109.240 108.800 -0.335 0.000 2.890 183 G HA2 0.296 4.258 3.960 0.002 0.000 0.189 183 G HA3 0.296 4.258 3.960 0.002 0.000 0.189 183 G C 0.634 175.098 174.900 -0.726 0.000 1.342 183 G CA -0.215 44.614 45.100 -0.453 0.000 1.026 183 G HN 0.719 nan 8.290 nan 0.000 0.579 184 E N -0.122 119.523 120.200 -0.925 0.000 2.171 184 E HA -0.198 4.153 4.350 0.002 0.000 0.197 184 E C 1.153 177.649 176.600 -0.174 0.000 0.997 184 E CA 1.650 57.684 56.400 -0.611 0.000 0.810 184 E CB -0.218 29.419 29.700 -0.105 0.000 0.738 184 E HN 0.338 nan 8.360 nan 0.000 0.467 185 D N 0.199 120.550 120.400 -0.081 0.000 2.218 185 D HA -0.137 4.504 4.640 0.002 0.000 0.204 185 D C 1.062 177.123 176.300 -0.398 0.000 0.976 185 D CA 0.920 54.872 54.000 -0.081 0.000 0.853 185 D CB -0.196 40.648 40.800 0.073 0.000 0.939 185 D HN 0.449 nan 8.370 nan 0.000 0.481 186 W N -0.083 120.833 121.300 -0.640 0.000 2.905 186 W HA 0.119 4.781 4.660 0.003 0.000 0.251 186 W C 0.232 176.063 176.519 -1.147 0.000 1.305 186 W CA -0.116 56.592 57.345 -1.062 0.000 1.465 186 W CB -0.189 28.649 29.460 -1.037 0.000 1.122 186 W HN -0.204 nan 8.180 nan 0.000 0.659 187 F N 0.511 120.363 119.950 -0.163 0.000 2.495 187 F HA 0.421 4.950 4.527 0.002 0.000 0.327 187 F C -0.324 175.452 175.800 -0.039 0.000 1.103 187 F CA -1.411 56.558 58.000 -0.052 0.000 0.949 187 F CB 1.141 40.171 39.000 0.050 0.000 1.142 187 F HN -0.501 nan 8.300 nan 0.000 0.457 188 L N 4.112 125.437 121.223 0.171 0.000 2.301 188 L HA 0.486 4.828 4.340 0.002 0.000 0.278 188 L C -0.805 176.212 176.870 0.244 0.000 1.022 188 L CA -0.475 54.445 54.840 0.133 0.000 0.854 188 L CB 0.150 42.251 42.059 0.071 0.000 1.226 188 L HN 0.399 nan 8.230 nan 0.000 0.429 189 D N 4.766 125.247 120.400 0.135 0.000 2.434 189 D HA 0.053 4.694 4.640 0.002 0.000 0.252 189 D C 0.537 176.946 176.300 0.182 0.000 1.185 189 D CA 0.612 54.655 54.000 0.070 0.000 0.886 189 D CB 0.522 41.129 40.800 -0.322 0.000 1.148 189 D HN 0.573 nan 8.370 nan 0.000 0.483 190 F N 0.968 120.982 119.950 0.107 0.000 2.789 190 F HA 0.294 4.822 4.527 0.002 0.000 0.320 190 F C 0.320 176.203 175.800 0.139 0.000 1.079 190 F CA -0.677 57.382 58.000 0.099 0.000 1.205 190 F CB 0.442 39.489 39.000 0.078 0.000 1.046 190 F HN 0.209 nan 8.300 nan 0.000 0.586 191 R N -0.197 120.106 120.500 -0.329 0.000 2.716 191 R HA 0.617 4.959 4.340 0.002 0.000 0.271 191 R C -2.070 174.219 176.300 -0.019 0.000 1.028 191 R CA -0.996 55.038 56.100 -0.111 0.000 0.883 191 R CB 1.564 31.768 30.300 -0.160 0.000 1.250 191 R HN -0.114 nan 8.270 nan 0.000 0.465 192 V N 3.303 123.206 119.914 -0.018 0.000 2.427 192 V HA 0.109 4.230 4.120 0.002 0.000 0.268 192 V C 1.099 177.087 176.094 -0.177 0.000 1.046 192 V CA -0.131 62.055 62.300 -0.190 0.000 0.970 192 V CB 0.869 32.577 31.823 -0.192 0.000 1.001 192 V HN 0.676 nan 8.190 nan 0.000 0.476 193 L N 4.160 125.264 121.223 -0.198 0.000 2.202 193 L HA 0.380 4.721 4.340 0.002 0.000 0.205 193 L C 1.152 177.945 176.870 -0.129 0.000 1.083 193 L CA 1.116 55.877 54.840 -0.132 0.000 0.790 193 L CB 0.117 42.122 42.059 -0.090 0.000 0.942 193 L HN 0.797 nan 8.230 nan 0.000 0.452 194 G N -0.869 107.832 108.800 -0.165 0.000 2.619 194 G HA2 0.522 4.484 3.960 0.002 0.000 0.305 194 G HA3 0.522 4.484 3.960 0.002 0.000 0.305 194 G C -1.732 173.090 174.900 -0.130 0.000 1.330 194 G CA -0.596 44.431 45.100 -0.122 0.000 0.789 194 G HN -0.086 nan 8.290 nan 0.000 0.487 195 R N -0.626 119.835 120.500 -0.064 0.000 2.533 195 R HA 0.606 4.948 4.340 0.002 0.000 0.288 195 R C -0.038 176.288 176.300 0.043 0.000 1.039 195 R CA -0.185 55.913 56.100 -0.003 0.000 0.909 195 R CB 1.676 31.959 30.300 -0.027 0.000 1.195 195 R HN 0.988 nan 8.270 nan 0.000 0.438 196 G N 0.352 109.214 108.800 0.104 0.000 2.887 196 G HA2 0.384 4.345 3.960 0.002 0.000 0.277 196 G HA3 0.384 4.345 3.960 0.002 0.000 0.277 196 G C 0.520 175.487 174.900 0.112 0.000 1.346 196 G CA -0.359 44.795 45.100 0.090 0.000 1.058 196 G HN 0.651 nan 8.290 nan 0.000 0.535 197 G N -1.235 107.562 108.800 -0.005 0.000 2.448 197 G HA2 -0.000 3.961 3.960 0.002 0.000 0.218 197 G HA3 -0.000 3.961 3.960 0.002 0.000 0.218 197 G C 0.825 175.482 174.900 -0.405 0.000 1.135 197 G CA 0.403 45.373 45.100 -0.218 0.000 0.784 197 G HN 0.349 nan 8.290 nan 0.000 0.543 198 F N 0.399 120.315 119.950 -0.057 0.000 2.661 198 F HA 0.478 5.007 4.527 0.003 0.000 0.306 198 F C 1.155 176.667 175.800 -0.480 0.000 1.094 198 F CA 0.324 58.187 58.000 -0.229 0.000 1.254 198 F CB 1.333 40.259 39.000 -0.123 0.000 1.040 198 F HN 0.327 nan 8.300 nan 0.000 0.562 199 G N 0.043 108.607 108.800 -0.392 0.000 2.352 199 G HA2 0.091 4.053 3.960 0.002 0.000 0.302 199 G HA3 0.091 4.053 3.960 0.002 0.000 0.302 199 G C -1.407 173.520 174.900 0.045 0.000 1.370 199 G CA -1.120 43.749 45.100 -0.385 0.000 0.918 199 G HN -0.044 nan 8.290 nan 0.000 0.610 200 E N -1.392 118.853 120.200 0.075 0.000 2.342 200 E HA 0.542 4.893 4.350 0.002 0.000 0.257 200 E C -0.522 175.952 176.600 -0.211 0.000 1.150 200 E CA -0.677 55.648 56.400 -0.124 0.000 0.926 200 E CB 2.089 31.521 29.700 -0.445 0.000 1.074 200 E HN 0.292 nan 8.360 nan 0.000 0.449 201 V N 2.424 122.144 119.914 -0.324 0.000 2.376 201 V HA 0.279 4.400 4.120 0.002 0.000 0.287 201 V C -0.903 175.014 176.094 -0.294 0.000 1.015 201 V CA -0.598 61.595 62.300 -0.178 0.000 0.834 201 V CB 0.144 31.919 31.823 -0.079 0.000 1.001 201 V HN 0.444 nan 8.190 nan 0.000 0.428 202 F N 2.414 122.353 119.950 -0.018 0.000 2.397 202 F HA 0.722 5.250 4.527 0.002 0.000 0.331 202 F C 0.892 176.638 175.800 -0.090 0.000 1.090 202 F CA -0.639 57.326 58.000 -0.058 0.000 1.065 202 F CB 1.327 40.310 39.000 -0.029 0.000 1.184 202 F HN 0.542 nan 8.300 nan 0.000 0.499 203 A N 2.081 124.865 122.820 -0.060 0.000 2.492 203 A HA 0.463 4.785 4.320 0.002 0.000 0.254 203 A C -0.198 177.316 177.584 -0.117 0.000 1.091 203 A CA -0.277 51.633 52.037 -0.211 0.000 0.768 203 A CB -0.673 17.934 19.000 -0.654 0.000 1.028 203 A HN 1.030 nan 8.150 nan 0.000 0.498 204 C N 1.594 121.047 119.300 0.254 0.000 3.171 204 C HA 0.834 5.295 4.460 0.002 0.000 0.308 204 C C -0.799 174.520 174.990 0.549 0.000 1.334 204 C CA -0.738 58.562 59.018 0.469 0.000 1.473 204 C CB 0.989 28.948 27.740 0.365 0.000 1.866 204 C HN 1.019 nan 8.230 nan 0.000 0.465 205 Q N 2.142 122.225 119.800 0.471 0.000 2.337 205 Q HA 0.487 4.829 4.340 0.002 0.000 0.266 205 Q C -0.768 175.408 176.000 0.294 0.000 1.023 205 Q CA -0.641 55.350 55.803 0.313 0.000 0.829 205 Q CB 1.600 30.403 28.738 0.108 0.000 1.306 205 Q HN 0.913 nan 8.270 nan 0.000 0.449 206 M N 4.571 124.351 119.600 0.300 0.000 2.220 206 M HA 0.103 4.584 4.480 0.002 0.000 0.343 206 M C -0.062 176.217 176.300 -0.035 0.000 1.470 206 M CA 0.689 56.017 55.300 0.047 0.000 1.161 206 M CB 0.405 33.176 32.600 0.285 0.000 1.737 206 M HN 0.797 nan 8.290 nan 0.000 0.464 207 K N 3.345 123.613 120.400 -0.221 0.000 2.097 207 K HA -0.133 4.188 4.320 0.002 0.000 0.206 207 K C 1.788 178.348 176.600 -0.066 0.000 1.049 207 K CA 1.663 57.830 56.287 -0.199 0.000 0.933 207 K CB -0.064 32.154 32.500 -0.470 0.000 0.717 207 K HN 0.818 nan 8.250 nan 0.000 0.442 208 A N 1.039 123.861 122.820 0.004 0.000 1.858 208 A HA -0.176 4.145 4.320 0.002 0.000 0.216 208 A C 2.265 179.928 177.584 0.132 0.000 1.190 208 A CA 2.352 54.473 52.037 0.140 0.000 0.617 208 A CB -0.929 18.293 19.000 0.369 0.000 0.827 208 A HN 0.470 nan 8.150 nan 0.000 0.443 209 T N -5.110 109.530 114.554 0.144 0.000 3.040 209 T HA 0.413 4.764 4.350 0.002 0.000 0.250 209 T C 1.417 176.159 174.700 0.071 0.000 1.058 209 T CA 1.090 63.259 62.100 0.115 0.000 0.988 209 T CB 0.214 69.162 68.868 0.134 0.000 0.993 209 T HN 1.783 nan 8.240 nan 0.000 0.519 210 G N 1.791 110.626 108.800 0.058 0.000 2.175 210 G HA2 -0.337 3.625 3.960 0.002 0.000 0.265 210 G HA3 -0.337 3.625 3.960 0.002 0.000 0.265 210 G C 0.002 174.918 174.900 0.026 0.000 0.979 210 G CA 0.597 45.712 45.100 0.026 0.000 0.663 210 G HN 0.898 nan 8.290 nan 0.000 0.533 211 K N 0.348 120.777 120.400 0.048 0.000 2.326 211 K HA 0.517 4.838 4.320 0.002 0.000 0.275 211 K C 0.758 177.333 176.600 -0.041 0.000 1.018 211 K CA -0.638 55.629 56.287 -0.034 0.000 0.962 211 K CB 0.154 32.602 32.500 -0.086 0.000 0.953 211 K HN 0.223 nan 8.250 nan 0.000 0.475 212 L N 5.120 126.287 121.223 -0.093 0.000 2.305 212 L HA 0.304 4.645 4.340 0.002 0.000 0.281 212 L C -0.558 176.223 176.870 -0.148 0.000 1.085 212 L CA -0.576 54.278 54.840 0.023 0.000 0.813 212 L CB 0.288 42.411 42.059 0.107 0.000 1.157 212 L HN 0.657 nan 8.230 nan 0.000 0.436 213 Y N 0.791 121.232 120.300 0.236 0.000 2.633 213 Y HA 0.677 5.229 4.550 0.002 0.000 0.339 213 Y C 0.184 176.166 175.900 0.136 0.000 1.045 213 Y CA -1.014 57.194 58.100 0.179 0.000 1.098 213 Y CB 1.981 40.556 38.460 0.192 0.000 1.296 213 Y HN 0.561 nan 8.280 nan 0.000 0.494 214 A N 0.507 123.497 122.820 0.284 0.000 2.305 214 A HA 0.546 4.867 4.320 0.002 0.000 0.322 214 A C -1.216 176.437 177.584 0.115 0.000 1.187 214 A CA -0.475 51.655 52.037 0.156 0.000 0.825 214 A CB 0.392 19.454 19.000 0.103 0.000 1.164 214 A HN 0.808 nan 8.150 nan 0.000 0.498 215 C N 3.715 123.077 119.300 0.103 0.000 2.291 215 C HA 0.584 5.045 4.460 0.002 0.000 0.322 215 C C 0.114 175.145 174.990 0.069 0.000 1.205 215 C CA -0.760 58.285 59.018 0.047 0.000 1.495 215 C CB -0.703 27.076 27.740 0.065 0.000 2.127 215 C HN 0.892 nan 8.230 nan 0.000 0.452 216 K N 5.166 125.568 120.400 0.004 0.000 2.276 216 K HA 0.353 4.674 4.320 0.002 0.000 0.285 216 K C -0.297 176.296 176.600 -0.012 0.000 1.062 216 K CA 0.073 56.366 56.287 0.010 0.000 0.918 216 K CB 0.361 32.867 32.500 0.009 0.000 1.055 216 K HN 0.689 nan 8.250 nan 0.000 0.477 217 K N 4.511 124.926 120.400 0.025 0.000 2.182 217 K HA 0.391 4.712 4.320 0.002 0.000 0.262 217 K C -0.904 175.662 176.600 -0.057 0.000 0.957 217 K CA -0.588 55.692 56.287 -0.012 0.000 0.842 217 K CB 1.251 33.808 32.500 0.094 0.000 1.099 217 K HN 0.450 nan 8.250 nan 0.000 0.438 218 L N 2.762 123.905 121.223 -0.133 0.000 2.349 218 L HA 0.323 4.664 4.340 0.002 0.000 0.278 218 L C -0.022 176.734 176.870 -0.191 0.000 0.996 218 L CA -0.900 53.848 54.840 -0.154 0.000 0.825 218 L CB 1.394 43.292 42.059 -0.268 0.000 1.243 218 L HN 0.625 nan 8.230 nan 0.000 0.412 219 N N 3.055 121.676 118.700 -0.132 0.000 2.468 219 N HA 0.029 4.770 4.740 0.002 0.000 0.265 219 N C 0.609 176.079 175.510 -0.065 0.000 1.199 219 N CA 0.066 53.055 53.050 -0.102 0.000 0.928 219 N CB 1.218 39.647 38.487 -0.096 0.000 1.059 219 N HN 0.664 nan 8.380 nan 0.000 0.467 220 K N 3.396 123.737 120.400 -0.099 0.000 2.026 220 K HA -0.125 4.196 4.320 0.002 0.000 0.208 220 K C 1.646 178.440 176.600 0.323 0.000 1.048 220 K CA 1.386 57.611 56.287 -0.104 0.000 0.929 220 K CB 0.129 32.396 32.500 -0.388 0.000 0.713 220 K HN 0.563 nan 8.250 nan 0.000 0.439 221 K N 0.550 121.180 120.400 0.384 0.000 2.057 221 K HA -0.173 4.149 4.320 0.002 0.000 0.207 221 K C 2.305 179.035 176.600 0.217 0.000 1.049 221 K CA 1.156 57.632 56.287 0.315 0.000 0.931 221 K CB -0.125 32.459 32.500 0.140 0.000 0.714 221 K HN 0.105 nan 8.250 nan 0.000 0.440 222 R N 1.298 121.907 120.500 0.182 0.000 2.066 222 R HA -0.035 4.306 4.340 0.002 0.000 0.232 222 R C 2.371 178.851 176.300 0.300 0.000 1.131 222 R CA 0.827 57.057 56.100 0.217 0.000 0.955 222 R CB -0.230 30.194 30.300 0.207 0.000 0.851 222 R HN 0.123 nan 8.270 nan 0.000 0.432 223 L N 1.052 122.393 121.223 0.196 0.000 2.043 223 L HA -0.274 4.067 4.340 0.002 0.000 0.212 223 L C 2.717 179.609 176.870 0.036 0.000 1.075 223 L CA 1.758 56.587 54.840 -0.018 0.000 0.752 223 L CB -0.378 41.670 42.059 -0.018 0.000 0.891 223 L HN 0.293 nan 8.230 nan 0.000 0.432 224 K N 0.253 120.748 120.400 0.159 0.000 2.002 224 K HA -0.268 4.053 4.320 0.002 0.000 0.209 224 K C 2.245 178.788 176.600 -0.094 0.000 1.048 224 K CA 1.795 58.034 56.287 -0.079 0.000 0.930 224 K CB -0.039 32.612 32.500 0.252 0.000 0.714 224 K HN 0.082 nan 8.250 nan 0.000 0.438 225 K N 0.499 120.921 120.400 0.038 0.000 2.057 225 K HA -0.108 4.213 4.320 0.002 0.000 0.207 225 K C 1.799 178.414 176.600 0.024 0.000 1.049 225 K CA 1.328 57.630 56.287 0.025 0.000 0.931 225 K CB 0.096 32.627 32.500 0.052 0.000 0.714 225 K HN 0.078 nan 8.250 nan 0.000 0.440 226 R N 0.654 121.208 120.500 0.090 0.000 2.319 226 R HA 0.072 4.414 4.340 0.002 0.000 0.204 226 R C -0.310 176.032 176.300 0.071 0.000 0.954 226 R CA 0.216 56.387 56.100 0.118 0.000 1.066 226 R CB 0.174 30.632 30.300 0.263 0.000 0.991 226 R HN 0.149 nan 8.270 nan 0.000 0.486 227 K N -0.530 119.832 120.400 -0.062 0.000 3.148 227 K HA -0.156 4.166 4.320 0.002 0.000 0.267 227 K C 0.429 176.968 176.600 -0.102 0.000 0.996 227 K CA 0.641 56.825 56.287 -0.172 0.000 0.737 227 K CB -1.745 30.686 32.500 -0.114 0.000 1.308 227 K HN 0.485 nan 8.250 nan 0.000 0.470 228 G N -0.471 108.276 108.800 -0.089 0.000 3.609 228 G HA2 0.101 4.063 3.960 0.002 0.000 0.280 228 G HA3 0.101 4.063 3.960 0.002 0.000 0.280 228 G C 0.827 175.697 174.900 -0.051 0.000 1.155 228 G CA -0.399 44.660 45.100 -0.068 0.000 0.876 228 G HN 0.451 nan 8.290 nan 0.000 0.535 229 Y N -0.563 119.593 120.300 -0.239 0.000 2.163 229 Y HA -0.170 4.381 4.550 0.002 0.000 0.288 229 Y C 3.014 178.844 175.900 -0.116 0.000 1.136 229 Y CA 0.850 58.730 58.100 -0.366 0.000 1.147 229 Y CB 0.119 38.026 38.460 -0.922 0.000 0.987 229 Y HN 0.267 nan 8.280 nan 0.000 0.509 230 Q N 0.802 120.646 119.800 0.074 0.000 2.096 230 Q HA -0.156 4.185 4.340 0.002 0.000 0.204 230 Q C 2.339 178.424 176.000 0.141 0.000 0.982 230 Q CA 1.743 57.610 55.803 0.107 0.000 0.850 230 Q CB -0.593 28.181 28.738 0.061 0.000 0.901 230 Q HN 0.544 nan 8.270 nan 0.000 0.422 231 G N 0.285 109.154 108.800 0.114 0.000 2.418 231 G HA2 -0.193 3.769 3.960 0.002 0.000 0.217 231 G HA3 -0.193 3.769 3.960 0.002 0.000 0.217 231 G C 1.530 176.517 174.900 0.144 0.000 1.158 231 G CA 1.235 46.407 45.100 0.120 0.000 0.771 231 G HN 0.510 nan 8.290 nan 0.000 0.545 232 A N 0.095 123.004 122.820 0.148 0.000 1.902 232 A HA 0.042 4.363 4.320 0.002 0.000 0.217 232 A C 2.307 180.124 177.584 0.387 0.000 1.181 232 A CA 2.178 54.337 52.037 0.202 0.000 0.623 232 A CB -0.330 18.707 19.000 0.062 0.000 0.818 232 A HN 0.375 nan 8.150 nan 0.000 0.443 233 M N -0.684 119.165 119.600 0.414 0.000 2.099 233 M HA -0.026 4.455 4.480 0.002 0.000 0.262 233 M C 2.002 178.402 176.300 0.166 0.000 1.067 233 M CA 1.518 57.028 55.300 0.349 0.000 1.124 233 M CB -0.635 32.209 32.600 0.407 0.000 1.353 233 M HN 0.131 nan 8.290 nan 0.000 0.410 234 V N 0.125 120.129 119.914 0.151 0.000 2.332 234 V HA -0.302 3.820 4.120 0.002 0.000 0.248 234 V C 2.287 178.423 176.094 0.071 0.000 1.055 234 V CA 2.463 64.820 62.300 0.095 0.000 1.038 234 V CB -0.529 31.354 31.823 0.100 0.000 0.651 234 V HN 0.678 nan 8.190 nan 0.000 0.450 235 E N -0.320 119.937 120.200 0.095 0.000 2.085 235 E HA -0.296 4.055 4.350 0.002 0.000 0.194 235 E C 2.378 178.979 176.600 0.001 0.000 0.994 235 E CA 1.790 58.230 56.400 0.067 0.000 0.801 235 E CB -0.229 29.531 29.700 0.100 0.000 0.743 235 E HN 0.538 nan 8.360 nan 0.000 0.453 236 K N 0.619 121.002 120.400 -0.029 0.000 2.062 236 K HA -0.155 4.167 4.320 0.002 0.000 0.205 236 K C 2.057 178.549 176.600 -0.180 0.000 1.051 236 K CA 1.147 57.316 56.287 -0.196 0.000 0.941 236 K CB 0.028 32.214 32.500 -0.523 0.000 0.719 236 K HN 0.004 nan 8.250 nan 0.000 0.440 237 K N 0.587 120.914 120.400 -0.121 0.000 2.044 237 K HA -0.150 4.171 4.320 0.002 0.000 0.210 237 K C 2.214 178.765 176.600 -0.082 0.000 1.049 237 K CA 1.779 58.011 56.287 -0.092 0.000 0.927 237 K CB -0.195 32.282 32.500 -0.038 0.000 0.713 237 K HN 0.215 nan 8.250 nan 0.000 0.443 238 I N 0.997 121.533 120.570 -0.057 0.000 2.233 238 I HA -0.262 3.910 4.170 0.002 0.000 0.243 238 I C 2.257 178.308 176.117 -0.111 0.000 1.093 238 I CA 1.069 62.332 61.300 -0.061 0.000 1.380 238 I CB -0.251 37.735 38.000 -0.024 0.000 1.067 238 I HN 0.111 nan 8.210 nan 0.000 0.413 239 L N 0.588 121.744 121.223 -0.111 0.000 2.131 239 L HA -0.195 4.147 4.340 0.002 0.000 0.210 239 L C 2.858 179.609 176.870 -0.198 0.000 1.092 239 L CA 1.142 55.898 54.840 -0.140 0.000 0.759 239 L CB -0.782 41.212 42.059 -0.108 0.000 0.903 239 L HN 0.248 nan 8.230 nan 0.000 0.435 240 A N 1.630 124.339 122.820 -0.185 0.000 1.841 240 A HA -0.256 4.066 4.320 0.002 0.000 0.216 240 A C 2.331 179.777 177.584 -0.231 0.000 1.199 240 A CA 2.262 54.185 52.037 -0.189 0.000 0.621 240 A CB -0.523 18.379 19.000 -0.164 0.000 0.835 240 A HN 0.530 nan 8.150 nan 0.000 0.445 241 K N -0.904 119.387 120.400 -0.182 0.000 2.217 241 K HA 0.113 4.435 4.320 0.002 0.000 0.202 241 K C -0.069 176.373 176.600 -0.264 0.000 1.051 241 K CA 0.813 57.016 56.287 -0.139 0.000 0.952 241 K CB -0.321 32.144 32.500 -0.060 0.000 0.736 241 K HN 0.204 nan 8.250 nan 0.000 0.453 242 V N 3.178 122.873 119.914 -0.366 0.000 2.439 242 V HA 0.128 4.249 4.120 0.002 0.000 0.282 242 V C -0.533 175.216 176.094 -0.575 0.000 1.039 242 V CA -0.689 61.412 62.300 -0.331 0.000 0.913 242 V CB 1.144 32.855 31.823 -0.187 0.000 0.983 242 V HN 0.314 nan 8.190 nan 0.000 0.460 243 H N 3.057 122.058 119.070 -0.115 0.000 2.791 243 H HA 0.522 5.080 4.556 0.002 0.000 0.272 243 H C -0.417 174.784 175.328 -0.212 0.000 1.188 243 H CA -0.103 55.865 56.048 -0.133 0.000 1.436 243 H CB 1.739 31.434 29.762 -0.111 0.000 1.467 243 H HN 0.608 nan 8.280 nan 0.000 0.500 244 S N 2.277 117.892 115.700 -0.142 0.000 2.540 244 S HA 0.192 4.664 4.470 0.002 0.000 0.275 244 S C 1.047 175.533 174.600 -0.191 0.000 1.123 244 S CA -0.992 57.075 58.200 -0.222 0.000 0.907 244 S CB 1.498 64.592 63.200 -0.176 0.000 1.081 244 S HN 0.813 nan 8.310 nan 0.000 0.476 245 R N 2.025 122.316 120.500 -0.348 0.000 2.339 245 R HA 0.082 4.423 4.340 0.002 0.000 0.199 245 R C -0.315 175.621 176.300 -0.607 0.000 1.018 245 R CA 1.070 56.876 56.100 -0.490 0.000 1.036 245 R CB -0.539 29.399 30.300 -0.604 0.000 0.899 245 R HN 0.561 nan 8.270 nan 0.000 0.473 246 F N 1.200 121.168 119.950 0.030 0.000 2.647 246 F HA 0.474 5.002 4.527 0.002 0.000 0.300 246 F C 0.147 175.934 175.800 -0.023 0.000 1.106 246 F CA -0.523 57.489 58.000 0.020 0.000 1.313 246 F CB 0.448 39.477 39.000 0.047 0.000 1.007 246 F HN -0.124 nan 8.300 nan 0.000 0.536 247 I N 0.726 121.321 120.570 0.041 0.000 2.571 247 I HA 0.249 4.421 4.170 0.002 0.000 0.289 247 I C -0.377 175.715 176.117 -0.041 0.000 1.115 247 I CA -1.596 59.689 61.300 -0.024 0.000 1.045 247 I CB 2.150 40.110 38.000 -0.067 0.000 1.238 247 I HN -0.238 nan 8.210 nan 0.000 0.424 248 V N 2.171 122.068 119.914 -0.028 0.000 2.720 248 V HA 0.188 4.310 4.120 0.002 0.000 0.307 248 V C 0.379 176.453 176.094 -0.032 0.000 1.071 248 V CA 0.234 62.527 62.300 -0.011 0.000 1.199 248 V CB 1.060 32.889 31.823 0.011 0.000 0.900 248 V HN 0.790 nan 8.190 nan 0.000 0.494 249 S N 3.917 119.611 115.700 -0.011 0.000 2.475 249 S HA 0.658 5.129 4.470 0.002 0.000 0.298 249 S C -0.610 173.975 174.600 -0.025 0.000 1.119 249 S CA -0.681 57.498 58.200 -0.034 0.000 1.085 249 S CB 1.192 64.393 63.200 0.003 0.000 1.028 249 S HN 0.932 nan 8.310 nan 0.000 0.489 250 L N 4.857 126.030 121.223 -0.083 0.000 2.305 250 L HA 0.644 4.985 4.340 0.002 0.000 0.281 250 L C 0.684 177.479 176.870 -0.125 0.000 1.085 250 L CA 0.381 55.157 54.840 -0.106 0.000 0.813 250 L CB 0.949 42.919 42.059 -0.147 0.000 1.157 250 L HN 0.793 nan 8.230 nan 0.000 0.436 251 A N 4.087 126.802 122.820 -0.176 0.000 1.938 251 A HA 0.301 4.623 4.320 0.002 0.000 0.207 251 A C -0.369 176.892 177.584 -0.539 0.000 1.292 251 A CA 0.531 52.364 52.037 -0.340 0.000 0.700 251 A CB -0.028 18.698 19.000 -0.458 0.000 0.947 251 A HN 0.622 nan 8.150 nan 0.000 0.476 252 Y N -1.696 118.478 120.300 -0.209 0.000 2.524 252 Y HA 0.686 5.238 4.550 0.003 0.000 0.347 252 Y C -0.097 175.689 175.900 -0.191 0.000 1.005 252 Y CA -1.065 56.962 58.100 -0.121 0.000 1.025 252 Y CB 1.838 40.305 38.460 0.013 0.000 1.275 252 Y HN 0.266 nan 8.280 nan 0.000 0.460 253 A N 3.274 126.092 122.820 -0.003 0.000 2.335 253 A HA 0.882 5.204 4.320 0.002 0.000 0.304 253 A C -1.390 176.210 177.584 0.027 0.000 1.118 253 A CA -0.538 51.406 52.037 -0.154 0.000 0.757 253 A CB 0.309 19.104 19.000 -0.342 0.000 1.188 253 A HN 0.701 nan 8.150 nan 0.000 0.460 254 F N 0.323 120.270 119.950 -0.004 0.000 2.754 254 F HA 0.862 5.390 4.527 0.002 0.000 0.320 254 F C -0.605 175.208 175.800 0.022 0.000 1.156 254 F CA -1.019 56.988 58.000 0.010 0.000 0.950 254 F CB 1.127 40.138 39.000 0.019 0.000 1.388 254 F HN 0.640 nan 8.300 nan 0.000 0.485 255 E N -0.183 120.221 120.200 0.341 0.000 2.343 255 E HA 0.661 5.012 4.350 0.002 0.000 0.270 255 E C -1.303 175.417 176.600 0.201 0.000 0.895 255 E CA -0.956 55.527 56.400 0.138 0.000 0.767 255 E CB 2.475 32.171 29.700 -0.007 0.000 1.248 255 E HN 0.882 nan 8.360 nan 0.000 0.440 256 T N -1.621 112.990 114.554 0.095 0.000 2.841 256 T HA 0.314 4.665 4.350 0.002 0.000 0.276 256 T C 0.874 175.584 174.700 0.016 0.000 1.003 256 T CA -0.825 61.329 62.100 0.089 0.000 0.995 256 T CB 1.524 70.454 68.868 0.103 0.000 1.260 256 T HN 0.591 nan 8.240 nan 0.000 0.581 257 K N -0.194 120.226 120.400 0.033 0.000 2.097 257 K HA -0.100 4.221 4.320 0.002 0.000 0.205 257 K C 2.033 178.647 176.600 0.024 0.000 1.050 257 K CA 1.953 58.264 56.287 0.039 0.000 0.938 257 K CB -0.591 31.944 32.500 0.059 0.000 0.718 257 K HN 0.814 nan 8.250 nan 0.000 0.442 258 T N -2.230 112.328 114.554 0.008 0.000 3.023 258 T HA 0.097 4.448 4.350 0.002 0.000 0.249 258 T C 0.193 174.844 174.700 -0.082 0.000 1.050 258 T CA -0.268 61.834 62.100 0.003 0.000 1.088 258 T CB 0.280 69.165 68.868 0.029 0.000 0.946 258 T HN -0.032 nan 8.240 nan 0.000 0.480 259 D N 0.706 121.034 120.400 -0.119 0.000 2.527 259 D HA 0.504 5.145 4.640 0.002 0.000 0.233 259 D C -0.703 175.427 176.300 -0.284 0.000 1.063 259 D CA -0.627 53.259 54.000 -0.190 0.000 0.880 259 D CB 2.188 42.925 40.800 -0.104 0.000 1.457 259 D HN 0.214 nan 8.370 nan 0.000 0.475 260 L N 0.654 121.634 121.223 -0.404 0.000 2.350 260 L HA 0.466 4.807 4.340 0.002 0.000 0.275 260 L C -0.308 176.378 176.870 -0.307 0.000 1.099 260 L CA -0.538 54.038 54.840 -0.441 0.000 0.808 260 L CB 0.988 42.531 42.059 -0.861 0.000 1.149 260 L HN 0.259 nan 8.230 nan 0.000 0.442 261 C N 4.112 123.216 119.300 -0.327 0.000 2.441 261 C HA 0.563 5.025 4.460 0.002 0.000 0.318 261 C C 0.013 174.753 174.990 -0.418 0.000 1.222 261 C CA -0.872 57.862 59.018 -0.473 0.000 1.474 261 C CB 1.173 28.326 27.740 -0.979 0.000 2.125 261 C HN 0.590 nan 8.230 nan 0.000 0.479 262 L N 3.179 124.260 121.223 -0.237 0.000 2.296 262 L HA 0.599 4.940 4.340 0.002 0.000 0.286 262 L C -0.473 176.258 176.870 -0.232 0.000 1.023 262 L CA -0.427 54.292 54.840 -0.201 0.000 0.812 262 L CB 1.304 43.322 42.059 -0.069 0.000 1.223 262 L HN 0.410 nan 8.230 nan 0.000 0.421 263 V N 5.287 125.040 119.914 -0.269 0.000 2.370 263 V HA 0.499 4.620 4.120 0.002 0.000 0.279 263 V C 0.229 176.226 176.094 -0.162 0.000 1.029 263 V CA -0.322 61.825 62.300 -0.256 0.000 0.870 263 V CB 1.262 32.789 31.823 -0.492 0.000 0.984 263 V HN 0.816 nan 8.190 nan 0.000 0.451 264 M N 2.095 121.686 119.600 -0.015 0.000 2.716 264 M HA 0.622 5.103 4.480 0.002 0.000 0.278 264 M C -0.232 176.228 176.300 0.267 0.000 1.281 264 M CA -0.756 54.591 55.300 0.078 0.000 0.814 264 M CB 1.829 34.446 32.600 0.028 0.000 1.719 264 M HN 0.289 nan 8.290 nan 0.000 0.457 265 T N 2.297 116.983 114.554 0.221 0.000 2.800 265 T HA 0.121 4.473 4.350 0.002 0.000 0.283 265 T C 0.060 174.846 174.700 0.143 0.000 0.999 265 T CA 0.097 62.311 62.100 0.190 0.000 1.176 265 T CB -0.519 68.408 68.868 0.097 0.000 0.973 265 T HN 0.555 nan 8.240 nan 0.000 0.519 266 I N 3.947 124.595 120.570 0.130 0.000 2.588 266 I HA 0.193 4.364 4.170 0.002 0.000 0.283 266 I C -0.056 176.102 176.117 0.069 0.000 1.119 266 I CA -0.307 61.053 61.300 0.099 0.000 1.419 266 I CB 0.343 38.400 38.000 0.094 0.000 1.394 266 I HN 0.479 nan 8.210 nan 0.000 0.562 267 M N 7.676 127.314 119.600 0.062 0.000 1.999 267 M HA 0.272 4.754 4.480 0.002 0.000 0.299 267 M C -0.044 176.292 176.300 0.060 0.000 0.900 267 M CA -0.253 55.082 55.300 0.058 0.000 0.904 267 M CB 0.767 33.402 32.600 0.057 0.000 1.477 267 M HN 0.573 nan 8.290 nan 0.000 0.403 268 N N 1.076 119.814 118.700 0.063 0.000 2.412 268 N HA 0.037 4.778 4.740 0.002 0.000 0.184 268 N C 1.565 177.134 175.510 0.099 0.000 1.101 268 N CA 0.418 53.509 53.050 0.067 0.000 0.881 268 N CB 0.694 39.221 38.487 0.066 0.000 0.969 268 N HN 0.830 nan 8.380 nan 0.000 0.459 269 G N 0.408 109.279 108.800 0.118 0.000 2.443 269 G HA2 0.161 4.122 3.960 0.002 0.000 0.219 269 G HA3 0.161 4.122 3.960 0.002 0.000 0.219 269 G C 0.677 175.799 174.900 0.372 0.000 1.131 269 G CA 0.677 45.890 45.100 0.188 0.000 0.775 269 G HN 0.485 nan 8.290 nan 0.000 0.547 270 G N 0.158 109.119 108.800 0.268 0.000 2.712 270 G HA2 0.180 4.142 3.960 0.002 0.000 0.686 270 G HA3 0.180 4.142 3.960 0.002 0.000 0.686 270 G C -0.500 174.610 174.900 0.350 0.000 1.181 270 G CA -0.141 45.117 45.100 0.263 0.000 0.762 270 G HN 0.817 nan 8.290 nan 0.000 0.641 271 D N 1.074 121.612 120.400 0.229 0.000 2.368 271 D HA 0.405 5.046 4.640 0.002 0.000 0.240 271 D C 1.760 178.291 176.300 0.385 0.000 1.169 271 D CA -0.771 53.371 54.000 0.238 0.000 0.906 271 D CB 0.791 41.683 40.800 0.152 0.000 1.187 271 D HN 0.255 nan 8.370 nan 0.000 0.435 272 I N 0.468 121.220 120.570 0.302 0.000 2.118 272 I HA -0.265 3.907 4.170 0.002 0.000 0.241 272 I C 2.452 178.782 176.117 0.355 0.000 1.070 272 I CA 1.506 63.027 61.300 0.368 0.000 1.327 272 I CB -0.969 37.194 38.000 0.271 0.000 1.034 272 I HN 0.690 nan 8.210 nan 0.000 0.405 273 R N -0.162 120.493 120.500 0.258 0.000 2.119 273 R HA -0.284 4.057 4.340 0.002 0.000 0.246 273 R C 2.571 179.037 176.300 0.276 0.000 1.146 273 R CA 2.099 58.343 56.100 0.240 0.000 0.962 273 R CB -0.650 29.802 30.300 0.253 0.000 0.863 273 R HN 0.358 nan 8.270 nan 0.000 0.442 274 Y N 0.686 121.061 120.300 0.126 0.000 2.128 274 Y HA -0.296 4.255 4.550 0.002 0.000 0.284 274 Y C 2.109 178.002 175.900 -0.012 0.000 1.154 274 Y CA 2.079 60.191 58.100 0.021 0.000 1.149 274 Y CB -0.525 37.861 38.460 -0.123 0.000 0.976 274 Y HN 0.229 nan 8.280 nan 0.000 0.505 275 H N -0.257 118.844 119.070 0.052 0.000 2.491 275 H HA -0.063 4.495 4.556 0.002 0.000 0.290 275 H C 2.417 177.761 175.328 0.027 0.000 1.050 275 H CA 1.606 57.656 56.048 0.003 0.000 1.309 275 H CB -0.096 29.818 29.762 0.254 0.000 1.392 275 H HN 0.438 nan 8.280 nan 0.000 0.554 276 I N -0.052 120.464 120.570 -0.090 0.000 2.315 276 I HA -0.277 3.894 4.170 0.002 0.000 0.248 276 I C 1.586 177.326 176.117 -0.629 0.000 1.117 276 I CA 1.383 62.301 61.300 -0.637 0.000 1.404 276 I CB -0.234 37.229 38.000 -0.895 0.000 1.071 276 I HN 0.159 nan 8.210 nan 0.000 0.419 277 Y N -0.779 119.436 120.300 -0.142 0.000 2.510 277 Y HA 0.038 4.589 4.550 0.002 0.000 0.273 277 Y C 2.253 178.061 175.900 -0.155 0.000 1.119 277 Y CA 0.386 58.413 58.100 -0.123 0.000 1.286 277 Y CB -0.143 38.272 38.460 -0.076 0.000 1.061 277 Y HN 0.168 nan 8.280 nan 0.000 0.542 278 N N -0.186 118.416 118.700 -0.164 0.000 2.405 278 N HA -0.097 4.645 4.740 0.002 0.000 0.175 278 N C 1.816 177.226 175.510 -0.166 0.000 1.051 278 N CA 0.351 53.249 53.050 -0.252 0.000 0.899 278 N CB 0.306 38.368 38.487 -0.710 0.000 1.000 278 N HN 0.215 nan 8.380 nan 0.000 0.451 279 V N 0.281 120.114 119.914 -0.135 0.000 2.759 279 V HA -0.053 4.068 4.120 0.002 0.000 0.256 279 V C -0.468 175.576 176.094 -0.083 0.000 1.080 279 V CA 1.435 63.663 62.300 -0.119 0.000 1.101 279 V CB -0.137 31.619 31.823 -0.112 0.000 0.698 279 V HN 0.200 nan 8.190 nan 0.000 0.477 280 D N -1.350 119.009 120.400 -0.068 0.000 2.548 280 D HA 0.146 4.787 4.640 0.002 0.000 0.214 280 D C 0.544 176.828 176.300 -0.027 0.000 1.345 280 D CA -0.310 53.664 54.000 -0.043 0.000 0.945 280 D CB 1.429 42.201 40.800 -0.046 0.000 1.499 280 D HN 0.202 nan 8.370 nan 0.000 0.579 281 E N 1.400 121.594 120.200 -0.010 0.000 2.106 281 E HA -0.152 4.199 4.350 0.002 0.000 0.192 281 E C 0.261 176.870 176.600 0.014 0.000 0.984 281 E CA 1.009 57.416 56.400 0.012 0.000 0.806 281 E CB 0.468 30.175 29.700 0.012 0.000 0.750 281 E HN 0.380 nan 8.360 nan 0.000 0.458 282 D N -0.324 120.077 120.400 0.002 0.000 2.289 282 D HA -0.011 4.630 4.640 0.002 0.000 0.207 282 D C 0.516 176.812 176.300 -0.007 0.000 0.966 282 D CA 0.627 54.627 54.000 0.000 0.000 0.868 282 D CB 0.158 40.956 40.800 -0.003 0.000 0.943 282 D HN -0.006 nan 8.370 nan 0.000 0.514 283 N N 0.597 119.286 118.700 -0.019 0.000 2.687 283 N HA 0.113 4.854 4.740 0.002 0.000 0.275 283 N C -2.818 172.654 175.510 -0.064 0.000 1.789 283 N CA -0.961 52.067 53.050 -0.037 0.000 0.806 283 N CB 1.663 40.127 38.487 -0.039 0.000 1.256 283 N HN -0.060 nan 8.380 nan 0.000 0.500 284 P HA 0.304 nan 4.420 nan 0.000 0.271 284 P C 0.213 177.375 177.300 -0.230 0.000 1.218 284 P CA 0.715 63.729 63.100 -0.144 0.000 0.780 284 P CB 1.126 32.770 31.700 -0.093 0.000 0.901 285 G N 0.941 109.544 108.800 -0.329 0.000 2.375 285 G HA2 0.072 4.033 3.960 0.002 0.000 0.663 285 G HA3 0.072 4.033 3.960 0.002 0.000 0.663 285 G C -1.335 173.447 174.900 -0.197 0.000 1.391 285 G CA -1.033 43.834 45.100 -0.388 0.000 0.949 285 G HN 0.294 nan 8.290 nan 0.000 0.646 286 F N 1.022 120.867 119.950 -0.175 0.000 2.379 286 F HA 0.435 4.963 4.527 0.002 0.000 0.332 286 F C 1.178 176.872 175.800 -0.176 0.000 1.096 286 F CA -1.126 56.778 58.000 -0.161 0.000 1.105 286 F CB 1.236 40.163 39.000 -0.122 0.000 1.189 286 F HN 0.245 nan 8.300 nan 0.000 0.515 287 Q N 1.734 121.554 119.800 0.034 0.000 2.373 287 Q HA -0.009 4.332 4.340 0.002 0.000 0.255 287 Q C 0.942 176.905 176.000 -0.061 0.000 0.980 287 Q CA 0.112 55.885 55.803 -0.051 0.000 0.882 287 Q CB 0.937 29.632 28.738 -0.072 0.000 1.249 287 Q HN 0.763 nan 8.270 nan 0.000 0.438 288 E N 2.188 122.337 120.200 -0.085 0.000 2.077 288 E HA -0.172 4.179 4.350 0.002 0.000 0.193 288 E C -0.880 175.666 176.600 -0.090 0.000 0.989 288 E CA 0.996 57.344 56.400 -0.087 0.000 0.800 288 E CB -0.381 29.260 29.700 -0.098 0.000 0.746 288 E HN 0.444 nan 8.360 nan 0.000 0.452 289 P HA -0.197 nan 4.420 nan 0.000 0.217 289 P C 1.034 178.241 177.300 -0.155 0.000 1.148 289 P CA 1.281 64.315 63.100 -0.110 0.000 0.828 289 P CB -0.058 31.574 31.700 -0.113 0.000 0.783 290 R N -0.288 120.069 120.500 -0.238 0.000 2.075 290 R HA -0.034 4.308 4.340 0.002 0.000 0.232 290 R C 2.058 178.074 176.300 -0.473 0.000 1.126 290 R CA 1.476 57.288 56.100 -0.480 0.000 0.963 290 R CB -0.694 29.265 30.300 -0.568 0.000 0.858 290 R HN 0.071 nan 8.270 nan 0.000 0.435 291 A N 0.526 123.266 122.820 -0.133 0.000 2.014 291 A HA -0.051 4.270 4.320 0.002 0.000 0.218 291 A C 2.007 179.641 177.584 0.083 0.000 1.163 291 A CA 0.909 53.004 52.037 0.097 0.000 0.652 291 A CB -0.255 18.840 19.000 0.158 0.000 0.808 291 A HN 0.325 nan 8.150 nan 0.000 0.449 292 I N -2.283 118.288 120.570 0.002 0.000 2.406 292 I HA -0.119 4.052 4.170 0.002 0.000 0.249 292 I C 2.222 178.401 176.117 0.102 0.000 1.122 292 I CA 0.888 62.197 61.300 0.014 0.000 1.431 292 I CB -0.220 37.730 38.000 -0.084 0.000 1.087 292 I HN 0.416 nan 8.210 nan 0.000 0.424 293 F N 0.931 120.813 119.950 -0.114 0.000 2.134 293 F HA -0.278 4.250 4.527 0.003 0.000 0.299 293 F C 2.280 178.119 175.800 0.065 0.000 1.097 293 F CA 1.729 59.667 58.000 -0.103 0.000 1.264 293 F CB -0.205 38.667 39.000 -0.213 0.000 1.001 293 F HN -0.011 nan 8.300 nan 0.000 0.479 294 Y N 0.261 120.693 120.300 0.219 0.000 2.242 294 Y HA -0.130 4.421 4.550 0.002 0.000 0.291 294 Y C 2.727 178.688 175.900 0.102 0.000 1.137 294 Y CA 1.300 59.492 58.100 0.154 0.000 1.181 294 Y CB -1.686 36.893 38.460 0.198 0.000 0.989 294 Y HN 0.002 nan 8.280 nan 0.000 0.527 295 T N 0.181 114.917 114.554 0.303 0.000 2.746 295 T HA -0.183 4.168 4.350 0.002 0.000 0.267 295 T C 2.255 177.091 174.700 0.226 0.000 1.039 295 T CA 1.433 63.713 62.100 0.300 0.000 1.142 295 T CB -0.568 68.508 68.868 0.347 0.000 0.866 295 T HN 0.396 nan 8.240 nan 0.000 0.444 296 A N 1.457 124.341 122.820 0.105 0.000 1.877 296 A HA -0.176 4.145 4.320 0.002 0.000 0.216 296 A C 2.314 179.753 177.584 -0.241 0.000 1.186 296 A CA 1.532 53.485 52.037 -0.140 0.000 0.620 296 A CB -0.659 17.985 19.000 -0.593 0.000 0.822 296 A HN 0.540 nan 8.150 nan 0.000 0.443 297 Q N -0.582 119.019 119.800 -0.332 0.000 2.050 297 Q HA -0.145 4.196 4.340 0.002 0.000 0.202 297 Q C 2.120 177.918 176.000 -0.336 0.000 0.980 297 Q CA 1.610 57.124 55.803 -0.482 0.000 0.840 297 Q CB -0.372 28.290 28.738 -0.127 0.000 0.898 297 Q HN 0.744 nan 8.270 nan 0.000 0.424 298 I N 0.097 120.630 120.570 -0.062 0.000 2.127 298 I HA -0.300 3.871 4.170 0.002 0.000 0.241 298 I C 2.336 178.421 176.117 -0.054 0.000 1.075 298 I CA 0.962 62.266 61.300 0.005 0.000 1.334 298 I CB -0.428 37.640 38.000 0.115 0.000 1.040 298 I HN 0.034 nan 8.210 nan 0.000 0.405 299 V N 0.295 120.205 119.914 -0.008 0.000 2.282 299 V HA -0.346 3.775 4.120 0.002 0.000 0.249 299 V C 2.541 178.549 176.094 -0.143 0.000 1.057 299 V CA 2.430 64.738 62.300 0.013 0.000 1.032 299 V CB -0.624 31.264 31.823 0.108 0.000 0.645 299 V HN 0.409 nan 8.190 nan 0.000 0.447 300 S N 0.126 115.650 115.700 -0.295 0.000 2.399 300 S HA -0.122 4.349 4.470 0.002 0.000 0.231 300 S C 2.003 176.434 174.600 -0.281 0.000 1.022 300 S CA 1.224 59.172 58.200 -0.421 0.000 0.983 300 S CB -0.577 62.163 63.200 -0.767 0.000 0.803 300 S HN 0.729 nan 8.310 nan 0.000 0.480 301 G N 1.712 110.419 108.800 -0.156 0.000 2.402 301 G HA2 -0.108 3.853 3.960 0.002 0.000 0.216 301 G HA3 -0.108 3.853 3.960 0.002 0.000 0.216 301 G C 1.301 176.095 174.900 -0.176 0.000 1.162 301 G CA 0.463 45.569 45.100 0.010 0.000 0.777 301 G HN 0.441 nan 8.290 nan 0.000 0.539 302 L N 0.115 121.166 121.223 -0.287 0.000 2.079 302 L HA -0.073 4.268 4.340 0.002 0.000 0.210 302 L C 2.759 179.151 176.870 -0.796 0.000 1.081 302 L CA 1.414 55.893 54.840 -0.602 0.000 0.752 302 L CB -0.326 41.415 42.059 -0.529 0.000 0.896 302 L HN 0.336 nan 8.230 nan 0.000 0.433 303 E N -0.653 119.308 120.200 -0.398 0.000 2.107 303 E HA -0.207 4.144 4.350 0.002 0.000 0.191 303 E C 2.156 178.602 176.600 -0.257 0.000 0.982 303 E CA 0.777 57.016 56.400 -0.267 0.000 0.809 303 E CB 0.114 29.708 29.700 -0.176 0.000 0.756 303 E HN 0.537 nan 8.360 nan 0.000 0.459 304 H N 0.476 119.465 119.070 -0.135 0.000 2.387 304 H HA -0.088 4.469 4.556 0.002 0.000 0.299 304 H C 2.310 177.552 175.328 -0.143 0.000 1.090 304 H CA 0.997 56.995 56.048 -0.084 0.000 1.332 304 H CB -0.104 29.648 29.762 -0.017 0.000 1.386 304 H HN 0.230 nan 8.280 nan 0.000 0.516 305 L N -0.443 120.702 121.223 -0.130 0.000 2.044 305 L HA -0.153 4.189 4.340 0.002 0.000 0.205 305 L C 2.441 179.216 176.870 -0.159 0.000 1.075 305 L CA 1.160 55.916 54.840 -0.141 0.000 0.747 305 L CB -0.505 41.448 42.059 -0.177 0.000 0.903 305 L HN 0.370 nan 8.230 nan 0.000 0.435 306 H N -0.877 117.907 119.070 -0.477 0.000 2.389 306 H HA -0.148 4.409 4.556 0.002 0.000 0.299 306 H C 2.229 176.979 175.328 -0.963 0.000 1.081 306 H CA 0.734 56.097 56.048 -1.140 0.000 1.345 306 H CB 0.130 28.776 29.762 -1.860 0.000 1.393 306 H HN 0.377 nan 8.280 nan 0.000 0.520 307 Q N 0.409 119.985 119.800 -0.373 0.000 2.297 307 Q HA -0.085 4.256 4.340 0.002 0.000 0.208 307 Q C 1.194 177.200 176.000 0.010 0.000 0.981 307 Q CA 0.827 56.613 55.803 -0.029 0.000 0.876 307 Q CB 0.295 29.090 28.738 0.096 0.000 0.921 307 Q HN 0.336 nan 8.270 nan 0.000 0.446 308 R N 0.098 120.589 120.500 -0.014 0.000 2.466 308 R HA 0.158 4.499 4.340 0.002 0.000 0.279 308 R C -0.238 176.106 176.300 0.074 0.000 0.976 308 R CA -0.071 56.051 56.100 0.036 0.000 1.081 308 R CB -0.176 30.140 30.300 0.027 0.000 1.215 308 R HN 0.339 nan 8.270 nan 0.000 0.546 309 N N 0.894 119.657 118.700 0.105 0.000 2.747 309 N HA -0.193 4.549 4.740 0.002 0.000 0.249 309 N C -0.864 174.818 175.510 0.285 0.000 1.107 309 N CA 0.444 53.657 53.050 0.271 0.000 0.707 309 N CB -0.700 37.907 38.487 0.201 0.000 1.054 309 N HN 0.216 nan 8.380 nan 0.000 0.555 310 I N 1.436 122.166 120.570 0.268 0.000 2.404 310 I HA 0.409 4.580 4.170 0.002 0.000 0.293 310 I C 0.387 176.737 176.117 0.390 0.000 0.992 310 I CA -0.601 60.846 61.300 0.245 0.000 1.149 310 I CB 1.579 39.660 38.000 0.135 0.000 1.315 310 I HN -0.020 nan 8.210 nan 0.000 0.446 311 I N 5.844 126.606 120.570 0.320 0.000 2.321 311 I HA 0.125 4.296 4.170 0.002 0.000 0.291 311 I C 0.426 176.741 176.117 0.330 0.000 0.998 311 I CA -0.610 60.901 61.300 0.352 0.000 1.227 311 I CB 1.118 39.252 38.000 0.224 0.000 1.368 311 I HN 0.628 nan 8.210 nan 0.000 0.466 312 Y N 6.940 127.355 120.300 0.192 0.000 2.133 312 Y HA -0.159 4.392 4.550 0.002 0.000 0.287 312 Y C 1.650 177.602 175.900 0.086 0.000 1.134 312 Y CA 1.188 59.352 58.100 0.107 0.000 1.133 312 Y CB -0.079 38.424 38.460 0.071 0.000 0.987 312 Y HN 0.603 nan 8.280 nan 0.000 0.502 313 R N -0.252 120.281 120.500 0.054 0.000 4.000 313 R HA -0.226 4.116 4.340 0.002 0.000 0.362 313 R C -0.422 175.700 176.300 -0.297 0.000 1.183 313 R CA 1.084 57.131 56.100 -0.089 0.000 1.011 313 R CB -1.745 28.567 30.300 0.019 0.000 1.501 313 R HN 0.324 nan 8.270 nan 0.000 0.553 314 D N -0.273 119.674 120.400 -0.756 0.000 2.996 314 D HA 0.115 4.756 4.640 0.002 0.000 0.343 314 D C -1.081 174.624 176.300 -0.991 0.000 1.574 314 D CA -0.392 53.173 54.000 -0.726 0.000 0.773 314 D CB 0.367 40.900 40.800 -0.444 0.000 1.241 314 D HN 0.026 nan 8.370 nan 0.000 0.469 315 L N 2.269 122.965 121.223 -0.878 0.000 2.367 315 L HA 0.425 4.766 4.340 0.002 0.000 0.275 315 L C -0.307 176.367 176.870 -0.327 0.000 1.129 315 L CA 0.562 55.192 54.840 -0.350 0.000 0.839 315 L CB 0.042 42.105 42.059 0.006 0.000 1.133 315 L HN 0.165 nan 8.230 nan 0.000 0.453 316 K N 2.820 123.056 120.400 -0.274 0.000 2.740 316 K HA 0.297 4.618 4.320 0.002 0.000 0.279 316 K C -2.893 173.630 176.600 -0.129 0.000 1.038 316 K CA -1.250 54.756 56.287 -0.467 0.000 0.887 316 K CB 0.352 32.066 32.500 -1.310 0.000 1.411 316 K HN 0.089 nan 8.250 nan 0.000 0.381 317 P HA -0.325 nan 4.420 nan 0.000 0.219 317 P C 0.733 178.098 177.300 0.109 0.000 1.158 317 P CA 2.288 65.466 63.100 0.130 0.000 0.895 317 P CB 0.052 31.869 31.700 0.195 0.000 0.792 318 E N -1.749 118.490 120.200 0.066 0.000 2.478 318 E HA -0.097 4.254 4.350 0.002 0.000 0.198 318 E C 0.911 177.544 176.600 0.055 0.000 1.046 318 E CA 0.665 57.109 56.400 0.073 0.000 0.870 318 E CB -0.724 29.009 29.700 0.055 0.000 0.818 318 E HN 0.214 nan 8.360 nan 0.000 0.527 319 N N 0.517 119.241 118.700 0.041 0.000 2.230 319 N HA 0.098 4.839 4.740 0.002 0.000 0.202 319 N C -0.977 174.603 175.510 0.118 0.000 1.119 319 N CA 0.061 53.159 53.050 0.079 0.000 0.851 319 N CB 1.364 39.900 38.487 0.082 0.000 0.990 319 N HN -0.004 nan 8.380 nan 0.000 0.497 320 V N 2.155 122.134 119.914 0.108 0.000 2.347 320 V HA 0.391 4.512 4.120 0.002 0.000 0.280 320 V C 0.124 176.267 176.094 0.081 0.000 1.021 320 V CA -0.652 61.707 62.300 0.099 0.000 0.847 320 V CB 1.623 33.508 31.823 0.103 0.000 0.990 320 V HN 0.004 nan 8.190 nan 0.000 0.444 321 L N 5.309 126.571 121.223 0.066 0.000 2.325 321 L HA 0.576 4.917 4.340 0.002 0.000 0.278 321 L C -0.698 176.193 176.870 0.035 0.000 1.023 321 L CA -0.816 54.065 54.840 0.068 0.000 0.811 321 L CB 1.784 43.884 42.059 0.068 0.000 1.249 321 L HN 0.369 nan 8.230 nan 0.000 0.431 322 L N 1.732 122.984 121.223 0.048 0.000 2.357 322 L HA 0.342 4.683 4.340 0.002 0.000 0.273 322 L C 0.055 176.958 176.870 0.056 0.000 1.080 322 L CA -0.138 54.712 54.840 0.018 0.000 0.803 322 L CB 1.074 43.127 42.059 -0.011 0.000 1.174 322 L HN 0.596 nan 8.230 nan 0.000 0.443 323 D N -0.905 119.524 120.400 0.049 0.000 2.549 323 D HA 0.141 4.783 4.640 0.002 0.000 0.270 323 D C 0.337 176.660 176.300 0.039 0.000 1.181 323 D CA -0.457 53.571 54.000 0.047 0.000 1.070 323 D CB 0.467 41.290 40.800 0.038 0.000 1.154 323 D HN 0.459 nan 8.370 nan 0.000 0.602 324 D N -0.834 119.584 120.400 0.030 0.000 2.221 324 D HA -0.128 4.513 4.640 0.002 0.000 0.204 324 D C 0.571 176.866 176.300 -0.009 0.000 0.982 324 D CA 1.081 55.090 54.000 0.016 0.000 0.857 324 D CB 0.123 40.932 40.800 0.015 0.000 0.934 324 D HN 0.417 nan 8.370 nan 0.000 0.475 325 D N -0.745 119.654 120.400 -0.000 0.000 2.327 325 D HA 0.077 4.719 4.640 0.002 0.000 0.205 325 D C 1.583 177.874 176.300 -0.015 0.000 0.989 325 D CA 0.713 54.705 54.000 -0.013 0.000 0.873 325 D CB 0.928 41.733 40.800 0.007 0.000 0.955 325 D HN 0.286 nan 8.370 nan 0.000 0.515 326 G N 0.962 109.775 108.800 0.022 0.000 2.143 326 G HA2 -0.195 3.766 3.960 0.002 0.000 0.175 326 G HA3 -0.195 3.766 3.960 0.002 0.000 0.175 326 G C -0.088 174.925 174.900 0.189 0.000 1.004 326 G CA -0.582 44.556 45.100 0.064 0.000 0.671 326 G HN 0.094 nan 8.290 nan 0.000 0.512 327 N N 0.239 119.040 118.700 0.169 0.000 2.443 327 N HA 0.630 5.371 4.740 0.002 0.000 0.295 327 N C 0.475 176.075 175.510 0.149 0.000 1.076 327 N CA 0.225 53.422 53.050 0.245 0.000 0.919 327 N CB 2.377 40.977 38.487 0.188 0.000 1.176 327 N HN 0.750 nan 8.380 nan 0.000 0.487 328 V N 0.074 120.090 119.914 0.171 0.000 2.834 328 V HA 0.738 4.859 4.120 0.002 0.000 0.313 328 V C -0.070 176.109 176.094 0.142 0.000 1.060 328 V CA -0.705 61.641 62.300 0.076 0.000 0.989 328 V CB 1.561 33.366 31.823 -0.030 0.000 1.041 328 V HN 0.583 nan 8.190 nan 0.000 0.459 329 R N 2.842 123.400 120.500 0.095 0.000 2.707 329 R HA 0.632 4.973 4.340 0.002 0.000 0.272 329 R C -0.564 175.776 176.300 0.068 0.000 1.011 329 R CA -0.812 55.350 56.100 0.104 0.000 0.893 329 R CB 2.296 32.632 30.300 0.060 0.000 1.233 329 R HN 0.983 nan 8.270 nan 0.000 0.464 330 I N -0.720 119.871 120.570 0.034 0.000 2.823 330 I HA 0.525 4.696 4.170 0.002 0.000 0.290 330 I C 0.087 176.191 176.117 -0.022 0.000 1.091 330 I CA -0.039 61.256 61.300 -0.008 0.000 1.365 330 I CB 1.385 39.272 38.000 -0.189 0.000 1.427 330 I HN 0.767 nan 8.210 nan 0.000 0.583 331 S N 1.496 117.233 115.700 0.062 0.000 2.752 331 S HA 0.356 4.827 4.470 0.002 0.000 0.284 331 S C -0.652 174.059 174.600 0.185 0.000 1.189 331 S CA -0.623 57.624 58.200 0.079 0.000 0.835 331 S CB 1.375 64.620 63.200 0.074 0.000 1.192 331 S HN 0.987 nan 8.310 nan 0.000 0.506 332 D N -0.260 120.226 120.400 0.142 0.000 3.620 332 D HA -0.124 4.517 4.640 0.002 0.000 0.237 332 D C -0.392 176.058 176.300 0.251 0.000 1.111 332 D CA 0.431 54.529 54.000 0.163 0.000 1.070 332 D CB -1.270 39.610 40.800 0.133 0.000 0.891 332 D HN 0.615 nan 8.370 nan 0.000 0.412 333 L N 1.789 123.123 121.223 0.185 0.000 2.741 333 L HA 0.306 4.648 4.340 0.002 0.000 0.237 333 L C 2.418 179.385 176.870 0.162 0.000 1.178 333 L CA 0.349 55.311 54.840 0.202 0.000 0.973 333 L CB 0.430 42.553 42.059 0.105 0.000 1.255 333 L HN 0.452 nan 8.230 nan 0.000 0.498 334 G N 0.176 109.064 108.800 0.147 0.000 2.450 334 G HA2 -0.194 3.768 3.960 0.002 0.000 0.220 334 G HA3 -0.194 3.768 3.960 0.002 0.000 0.220 334 G C 1.310 176.283 174.900 0.122 0.000 1.130 334 G CA 0.546 45.725 45.100 0.133 0.000 0.760 334 G HN 0.359 nan 8.290 nan 0.000 0.557 335 L N 0.701 121.992 121.223 0.114 0.000 2.628 335 L HA 0.389 4.730 4.340 0.002 0.000 0.229 335 L C 1.498 178.437 176.870 0.116 0.000 1.137 335 L CA -0.534 54.362 54.840 0.093 0.000 0.909 335 L CB 0.019 42.103 42.059 0.042 0.000 1.137 335 L HN 0.213 nan 8.230 nan 0.000 0.470 336 A N 0.366 123.277 122.820 0.151 0.000 2.351 336 A HA 0.460 4.781 4.320 0.002 0.000 0.257 336 A C -0.460 177.203 177.584 0.131 0.000 1.087 336 A CA -0.105 52.035 52.037 0.173 0.000 0.798 336 A CB 1.214 20.331 19.000 0.195 0.000 1.033 336 A HN -0.034 nan 8.150 nan 0.000 0.488 337 V N 1.550 121.541 119.914 0.128 0.000 2.540 337 V HA 0.435 4.556 4.120 0.002 0.000 0.302 337 V C -0.407 175.740 176.094 0.088 0.000 1.035 337 V CA -0.565 61.788 62.300 0.089 0.000 0.873 337 V CB 1.601 33.460 31.823 0.059 0.000 0.992 337 V HN 0.990 nan 8.190 nan 0.000 0.428 338 E N 5.742 125.983 120.200 0.069 0.000 2.152 338 E HA 0.390 4.742 4.350 0.002 0.000 0.285 338 E C -0.668 175.960 176.600 0.046 0.000 1.043 338 E CA -0.201 56.239 56.400 0.066 0.000 0.839 338 E CB 1.204 30.935 29.700 0.052 0.000 1.069 338 E HN 0.625 nan 8.360 nan 0.000 0.399 339 L N 4.041 125.297 121.223 0.054 0.000 2.426 339 L HA 0.146 4.487 4.340 0.002 0.000 0.271 339 L C 0.897 177.786 176.870 0.033 0.000 1.169 339 L CA -0.010 54.844 54.840 0.022 0.000 0.836 339 L CB 0.322 42.391 42.059 0.018 0.000 1.112 339 L HN 0.372 nan 8.230 nan 0.000 0.465 340 K N 1.817 122.225 120.400 0.014 0.000 2.155 340 K HA 0.473 4.794 4.320 0.002 0.000 0.237 340 K C -0.119 176.496 176.600 0.026 0.000 1.040 340 K CA -0.729 55.569 56.287 0.019 0.000 0.912 340 K CB 0.443 32.948 32.500 0.008 0.000 1.137 340 K HN 0.634 nan 8.250 nan 0.000 0.498 341 A N 0.299 123.134 122.820 0.024 0.000 2.491 341 A HA 0.383 4.704 4.320 0.002 0.000 0.261 341 A C 1.124 178.720 177.584 0.021 0.000 1.101 341 A CA 0.838 52.892 52.037 0.027 0.000 0.772 341 A CB -0.969 18.045 19.000 0.023 0.000 1.043 341 A HN 0.863 nan 8.150 nan 0.000 0.501 342 G N 1.155 109.972 108.800 0.027 0.000 2.299 342 G HA2 -0.276 3.685 3.960 0.002 0.000 0.237 342 G HA3 -0.276 3.685 3.960 0.002 0.000 0.237 342 G C 0.551 175.458 174.900 0.012 0.000 1.027 342 G CA 0.481 45.593 45.100 0.020 0.000 0.619 342 G HN 1.122 nan 8.290 nan 0.000 0.513 343 Q N 1.469 121.271 119.800 0.003 0.000 2.297 343 Q HA 0.476 4.817 4.340 0.002 0.000 0.267 343 Q C 1.563 177.548 176.000 -0.026 0.000 1.006 343 Q CA 0.962 56.753 55.803 -0.021 0.000 0.896 343 Q CB 0.549 29.268 28.738 -0.031 0.000 1.186 343 Q HN 0.555 nan 8.270 nan 0.000 0.392 344 T N 0.296 114.820 114.554 -0.050 0.000 2.985 344 T HA 0.338 4.689 4.350 0.002 0.000 0.254 344 T C 0.120 174.718 174.700 -0.171 0.000 1.021 344 T CA -0.131 61.927 62.100 -0.070 0.000 0.957 344 T CB 0.528 69.384 68.868 -0.020 0.000 1.047 344 T HN 0.418 nan 8.240 nan 0.000 0.511 345 K N 0.054 120.350 120.400 -0.173 0.000 2.480 345 K HA 0.703 5.024 4.320 0.002 0.000 0.258 345 K C -1.188 175.245 176.600 -0.278 0.000 0.990 345 K CA -0.715 55.427 56.287 -0.241 0.000 0.857 345 K CB 2.541 34.934 32.500 -0.177 0.000 1.384 345 K HN 0.051 nan 8.250 nan 0.000 0.446 346 T N -0.068 114.222 114.554 -0.439 0.000 2.812 346 T HA 0.611 4.962 4.350 0.002 0.000 0.294 346 T C -1.971 172.336 174.700 -0.656 0.000 1.159 346 T CA -0.797 61.024 62.100 -0.465 0.000 1.008 346 T CB 1.056 69.654 68.868 -0.450 0.000 1.289 346 T HN 0.636 nan 8.240 nan 0.000 0.514 347 K N 0.214 120.366 120.400 -0.413 0.000 2.466 347 K HA 0.858 5.180 4.320 0.002 0.000 0.260 347 K C -0.603 175.984 176.600 -0.022 0.000 1.011 347 K CA -1.168 54.981 56.287 -0.230 0.000 0.871 347 K CB 1.860 34.318 32.500 -0.070 0.000 1.404 347 K HN 1.090 nan 8.250 nan 0.000 0.450 348 G N 0.498 109.410 108.800 0.187 0.000 2.542 348 G HA2 -0.016 3.945 3.960 0.002 0.000 0.391 348 G HA3 -0.016 3.945 3.960 0.002 0.000 0.391 348 G C -2.140 172.914 174.900 0.256 0.000 1.551 348 G CA -1.086 44.133 45.100 0.199 0.000 0.946 348 G HN 0.581 nan 8.290 nan 0.000 0.662 349 Y N 1.779 122.133 120.300 0.090 0.000 2.436 349 Y HA 0.541 5.093 4.550 0.002 0.000 0.336 349 Y C 0.472 176.395 175.900 0.039 0.000 1.049 349 Y CA 1.190 59.316 58.100 0.043 0.000 1.294 349 Y CB 0.781 39.251 38.460 0.016 0.000 1.179 349 Y HN 1.406 nan 8.280 nan 0.000 0.520 350 A N 4.063 126.772 122.820 -0.185 0.000 2.583 350 A HA 0.710 5.032 4.320 0.002 0.000 0.298 350 A C -0.403 177.073 177.584 -0.179 0.000 1.055 350 A CA -0.020 51.985 52.037 -0.053 0.000 0.714 350 A CB 0.689 19.712 19.000 0.039 0.000 1.277 350 A HN 1.653 nan 8.150 nan 0.000 0.406 351 G N -0.332 108.416 108.800 -0.087 0.000 2.331 351 G HA2 0.513 4.474 3.960 0.002 0.000 0.402 351 G HA3 0.513 4.474 3.960 0.002 0.000 0.402 351 G C -0.624 174.259 174.900 -0.028 0.000 1.275 351 G CA -0.103 44.941 45.100 -0.094 0.000 1.003 351 G HN 1.481 nan 8.290 nan 0.000 0.500 352 T N 2.852 117.412 114.554 0.009 0.000 2.767 352 T HA 0.630 4.981 4.350 0.002 0.000 0.284 352 T C -2.491 172.328 174.700 0.198 0.000 0.973 352 T CA -0.808 61.353 62.100 0.102 0.000 0.996 352 T CB 1.753 70.669 68.868 0.080 0.000 0.927 352 T HN 0.448 nan 8.240 nan 0.000 0.456 353 P HA 0.187 nan 4.420 nan 0.000 0.262 353 P C 1.127 178.511 177.300 0.140 0.000 1.182 353 P CA 1.033 64.205 63.100 0.119 0.000 0.761 353 P CB 0.237 31.995 31.700 0.098 0.000 0.795 354 G N 1.691 110.515 108.800 0.040 0.000 2.254 354 G HA2 -0.301 3.661 3.960 0.002 0.000 0.225 354 G HA3 -0.301 3.661 3.960 0.002 0.000 0.225 354 G C 0.561 175.357 174.900 -0.173 0.000 1.003 354 G CA -0.178 44.872 45.100 -0.083 0.000 0.622 354 G HN 0.456 nan 8.290 nan 0.000 0.507 355 F N 0.971 121.002 119.950 0.136 0.000 2.706 355 F HA 0.563 5.091 4.527 0.002 0.000 0.308 355 F C 1.547 177.462 175.800 0.193 0.000 1.095 355 F CA -0.182 57.927 58.000 0.182 0.000 1.244 355 F CB 0.360 39.406 39.000 0.077 0.000 1.063 355 F HN 0.037 nan 8.300 nan 0.000 0.582 356 M N 1.049 120.752 119.600 0.173 0.000 2.211 356 M HA 0.428 4.909 4.480 0.002 0.000 0.356 356 M C 0.373 176.503 176.300 -0.284 0.000 1.216 356 M CA -0.474 54.779 55.300 -0.078 0.000 1.134 356 M CB 0.983 33.444 32.600 -0.233 0.000 1.564 356 M HN 0.063 nan 8.290 nan 0.000 0.463 357 A N 4.810 127.341 122.820 -0.482 0.000 2.351 357 A HA 0.373 4.694 4.320 0.002 0.000 0.257 357 A C -1.799 175.382 177.584 -0.673 0.000 1.087 357 A CA -1.402 50.028 52.037 -1.012 0.000 0.798 357 A CB -0.254 18.339 19.000 -0.679 0.000 1.033 357 A HN 0.617 nan 8.150 nan 0.000 0.488 358 P HA -0.230 nan 4.420 nan 0.000 0.218 358 P C 0.844 177.991 177.300 -0.255 0.000 1.154 358 P CA 2.020 64.897 63.100 -0.373 0.000 0.872 358 P CB 0.106 31.630 31.700 -0.294 0.000 0.790 359 E N -0.581 119.475 120.200 -0.239 0.000 2.038 359 E HA -0.180 4.172 4.350 0.002 0.000 0.195 359 E C 2.081 178.588 176.600 -0.155 0.000 1.000 359 E CA 0.949 57.267 56.400 -0.137 0.000 0.803 359 E CB -1.238 28.416 29.700 -0.076 0.000 0.750 359 E HN 0.198 nan 8.360 nan 0.000 0.448 360 L N 0.440 121.470 121.223 -0.320 0.000 2.017 360 L HA -0.176 4.165 4.340 0.002 0.000 0.208 360 L C 2.185 178.910 176.870 -0.241 0.000 1.073 360 L CA 1.182 55.776 54.840 -0.410 0.000 0.745 360 L CB -0.128 41.537 42.059 -0.657 0.000 0.894 360 L HN 0.190 nan 8.230 nan 0.000 0.432 361 L N -0.520 120.561 121.223 -0.237 0.000 2.042 361 L HA -0.284 4.058 4.340 0.002 0.000 0.210 361 L C 2.457 179.325 176.870 -0.004 0.000 1.076 361 L CA 1.397 56.175 54.840 -0.103 0.000 0.749 361 L CB -0.556 41.419 42.059 -0.141 0.000 0.893 361 L HN 0.346 nan 8.230 nan 0.000 0.432 362 L N -0.479 120.716 121.223 -0.046 0.000 2.465 362 L HA -0.016 4.325 4.340 0.002 0.000 0.224 362 L C 1.507 178.391 176.870 0.024 0.000 1.145 362 L CA 0.756 55.588 54.840 -0.014 0.000 0.834 362 L CB -0.514 41.524 42.059 -0.035 0.000 0.944 362 L HN 0.553 nan 8.230 nan 0.000 0.451 363 G N -0.235 108.596 108.800 0.052 0.000 2.141 363 G HA2 -0.232 3.730 3.960 0.002 0.000 0.242 363 G HA3 -0.232 3.730 3.960 0.002 0.000 0.242 363 G C 0.100 175.049 174.900 0.081 0.000 0.982 363 G CA -0.179 44.973 45.100 0.087 0.000 0.662 363 G HN 0.409 nan 8.290 nan 0.000 0.527 364 E N 0.292 120.537 120.200 0.075 0.000 2.369 364 E HA 0.409 4.760 4.350 0.002 0.000 0.255 364 E C 0.468 177.144 176.600 0.127 0.000 1.172 364 E CA -0.450 55.994 56.400 0.073 0.000 0.932 364 E CB 0.743 30.472 29.700 0.048 0.000 1.040 364 E HN 0.484 nan 8.360 nan 0.000 0.454 365 E N 0.343 120.571 120.200 0.047 0.000 2.390 365 E HA 0.133 4.484 4.350 0.002 0.000 0.261 365 E C -1.079 175.541 176.600 0.033 0.000 1.076 365 E CA 0.226 56.602 56.400 -0.040 0.000 0.905 365 E CB 0.487 30.139 29.700 -0.080 0.000 0.984 365 E HN 0.304 nan 8.360 nan 0.000 0.427 366 Y N -0.604 119.649 120.300 -0.078 0.000 2.638 366 Y HA 0.433 4.985 4.550 0.003 0.000 0.335 366 Y C -0.979 174.829 175.900 -0.154 0.000 1.155 366 Y CA -1.272 56.771 58.100 -0.095 0.000 1.046 366 Y CB 0.876 39.286 38.460 -0.085 0.000 1.303 366 Y HN 0.487 nan 8.280 nan 0.000 0.460 367 D N 0.317 120.718 120.400 0.003 0.000 2.720 367 D HA 0.282 4.923 4.640 0.002 0.000 0.232 367 D C 0.486 176.689 176.300 -0.161 0.000 1.173 367 D CA -0.757 53.071 54.000 -0.287 0.000 1.082 367 D CB -0.126 40.435 40.800 -0.399 0.000 1.235 367 D HN 0.440 nan 8.370 nan 0.000 0.636 368 F N 0.367 120.305 119.950 -0.021 0.000 2.307 368 F HA -0.128 4.400 4.527 0.002 0.000 0.301 368 F C 2.602 178.443 175.800 0.067 0.000 1.076 368 F CA 1.002 58.872 58.000 -0.217 0.000 1.383 368 F CB -0.599 38.038 39.000 -0.605 0.000 1.055 368 F HN 0.260 nan 8.300 nan 0.000 0.526 369 S N 0.668 116.558 115.700 0.317 0.000 2.387 369 S HA -0.246 4.225 4.470 0.002 0.000 0.230 369 S C 2.173 176.968 174.600 0.326 0.000 1.035 369 S CA 1.409 59.831 58.200 0.370 0.000 1.014 369 S CB -1.505 61.825 63.200 0.216 0.000 0.836 369 S HN 0.413 nan 8.310 nan 0.000 0.466 370 V N 0.738 120.764 119.914 0.186 0.000 2.392 370 V HA -0.177 3.944 4.120 0.002 0.000 0.249 370 V C 1.955 178.155 176.094 0.178 0.000 1.059 370 V CA 2.254 64.614 62.300 0.101 0.000 1.051 370 V CB -1.047 30.713 31.823 -0.105 0.000 0.658 370 V HN 0.245 nan 8.190 nan 0.000 0.455 371 D N -0.296 120.200 120.400 0.159 0.000 2.144 371 D HA -0.119 4.522 4.640 0.002 0.000 0.200 371 D C 2.041 178.346 176.300 0.009 0.000 0.978 371 D CA 1.929 55.983 54.000 0.090 0.000 0.833 371 D CB -0.370 40.515 40.800 0.141 0.000 0.961 371 D HN 0.668 nan 8.370 nan 0.000 0.470 372 Y N -0.243 120.225 120.300 0.280 0.000 2.242 372 Y HA -0.115 4.436 4.550 0.002 0.000 0.291 372 Y C 2.226 178.240 175.900 0.190 0.000 1.137 372 Y CA 0.474 58.708 58.100 0.223 0.000 1.181 372 Y CB -0.531 38.044 38.460 0.193 0.000 0.989 372 Y HN -0.087 nan 8.280 nan 0.000 0.527 373 F N 0.596 120.672 119.950 0.211 0.000 2.126 373 F HA -0.291 4.237 4.527 0.002 0.000 0.299 373 F C 2.365 178.260 175.800 0.157 0.000 1.096 373 F CA 1.347 59.434 58.000 0.146 0.000 1.255 373 F CB -0.513 38.545 39.000 0.096 0.000 0.997 373 F HN 0.005 nan 8.300 nan 0.000 0.479 374 A N 0.153 123.151 122.820 0.298 0.000 1.908 374 A HA -0.194 4.127 4.320 0.002 0.000 0.218 374 A C 2.084 179.789 177.584 0.201 0.000 1.181 374 A CA 1.698 53.900 52.037 0.274 0.000 0.627 374 A CB -1.256 17.876 19.000 0.219 0.000 0.818 374 A HN 0.478 nan 8.150 nan 0.000 0.445 375 L N 0.285 121.606 121.223 0.163 0.000 2.013 375 L HA -0.111 4.230 4.340 0.002 0.000 0.212 375 L C 2.420 179.397 176.870 0.177 0.000 1.073 375 L CA 2.497 57.452 54.840 0.192 0.000 0.753 375 L CB -1.295 40.898 42.059 0.224 0.000 0.890 375 L HN 0.317 nan 8.230 nan 0.000 0.432 376 G N -1.396 107.441 108.800 0.062 0.000 2.418 376 G HA2 -0.198 3.763 3.960 0.002 0.000 0.217 376 G HA3 -0.198 3.763 3.960 0.002 0.000 0.217 376 G C 1.533 176.444 174.900 0.018 0.000 1.158 376 G CA 1.046 46.149 45.100 0.005 0.000 0.771 376 G HN 0.361 nan 8.290 nan 0.000 0.545 377 V N 0.801 120.663 119.914 -0.087 0.000 2.626 377 V HA -0.124 3.998 4.120 0.002 0.000 0.252 377 V C 3.033 179.224 176.094 0.162 0.000 1.067 377 V CA 2.157 64.405 62.300 -0.087 0.000 1.081 377 V CB -0.529 31.152 31.823 -0.237 0.000 0.686 377 V HN 0.369 nan 8.190 nan 0.000 0.468 378 T N 0.248 114.963 114.554 0.269 0.000 2.809 378 T HA -0.072 4.279 4.350 0.002 0.000 0.260 378 T C 1.886 176.755 174.700 0.281 0.000 1.039 378 T CA 1.283 63.574 62.100 0.318 0.000 1.141 378 T CB -0.236 68.812 68.868 0.300 0.000 0.869 378 T HN 0.281 nan 8.240 nan 0.000 0.437 379 L N 0.580 121.978 121.223 0.291 0.000 2.012 379 L HA -0.078 4.263 4.340 0.002 0.000 0.210 379 L C 2.070 179.124 176.870 0.306 0.000 1.073 379 L CA 1.772 56.794 54.840 0.303 0.000 0.748 379 L CB -1.012 41.260 42.059 0.355 0.000 0.891 379 L HN 0.299 nan 8.230 nan 0.000 0.431 380 Y N 0.460 120.894 120.300 0.223 0.000 2.040 380 Y HA -0.350 4.201 4.550 0.002 0.000 0.275 380 Y C 2.758 178.768 175.900 0.184 0.000 1.171 380 Y CA 2.496 60.767 58.100 0.284 0.000 1.123 380 Y CB -0.163 38.329 38.460 0.053 0.000 0.963 380 Y HN 0.379 nan 8.280 nan 0.000 0.493 381 E N -0.380 120.018 120.200 0.330 0.000 2.110 381 E HA -0.251 4.100 4.350 0.002 0.000 0.193 381 E C 2.210 178.771 176.600 -0.065 0.000 0.988 381 E CA 1.385 57.887 56.400 0.169 0.000 0.804 381 E CB -0.185 29.628 29.700 0.188 0.000 0.745 381 E HN 0.561 nan 8.360 nan 0.000 0.458 382 M N -0.051 119.514 119.600 -0.059 0.000 2.080 382 M HA -0.217 4.265 4.480 0.002 0.000 0.260 382 M C 2.237 178.333 176.300 -0.339 0.000 1.068 382 M CA 1.407 56.546 55.300 -0.269 0.000 1.109 382 M CB -0.240 32.402 32.600 0.070 0.000 1.342 382 M HN 0.149 nan 8.290 nan 0.000 0.405 383 I N -0.333 120.081 120.570 -0.260 0.000 2.193 383 I HA -0.183 3.989 4.170 0.002 0.000 0.240 383 I C 2.257 178.060 176.117 -0.524 0.000 1.084 383 I CA 1.452 62.459 61.300 -0.488 0.000 1.365 383 I CB -0.257 37.186 38.000 -0.929 0.000 1.064 383 I HN 0.205 nan 8.210 nan 0.000 0.410 384 A N -0.058 122.508 122.820 -0.424 0.000 2.308 384 A HA 0.572 4.893 4.320 0.002 0.000 0.217 384 A C 1.469 178.988 177.584 -0.109 0.000 1.216 384 A CA 0.418 52.303 52.037 -0.253 0.000 0.864 384 A CB -0.299 18.634 19.000 -0.113 0.000 0.902 384 A HN 0.504 nan 8.150 nan 0.000 0.499 385 A N -0.247 122.469 122.820 -0.172 0.000 2.832 385 A HA -0.178 4.144 4.320 0.002 0.000 0.280 385 A C 0.464 178.132 177.584 0.140 0.000 1.464 385 A CA 1.633 53.574 52.037 -0.161 0.000 0.804 385 A CB -2.126 16.772 19.000 -0.169 0.000 1.020 385 A HN 1.582 nan 8.150 nan 0.000 0.563 386 R N -2.468 118.132 120.500 0.167 0.000 2.728 386 R HA 0.580 4.922 4.340 0.002 0.000 0.274 386 R C 0.187 176.608 176.300 0.202 0.000 1.032 386 R CA -0.531 55.691 56.100 0.204 0.000 0.866 386 R CB 0.057 30.452 30.300 0.158 0.000 1.263 386 R HN 1.172 nan 8.270 nan 0.000 0.475 387 G N 0.491 109.331 108.800 0.066 0.000 2.572 387 G HA2 0.379 4.341 3.960 0.002 0.000 0.261 387 G HA3 0.379 4.341 3.960 0.002 0.000 0.261 387 G C -1.662 172.992 174.900 -0.410 0.000 1.197 387 G CA -1.407 43.618 45.100 -0.124 0.000 0.870 387 G HN 0.497 nan 8.290 nan 0.000 0.548 388 P HA 0.018 nan 4.420 nan 0.000 0.229 388 P C 0.704 177.345 177.300 -1.097 0.000 1.160 388 P CA 0.973 63.108 63.100 -1.608 0.000 0.777 388 P CB 0.150 30.644 31.700 -2.010 0.000 0.814 389 F N 0.179 119.920 119.950 -0.348 0.000 2.704 389 F HA 0.251 4.779 4.527 0.002 0.000 0.304 389 F C 1.143 176.860 175.800 -0.138 0.000 1.094 389 F CA -0.557 57.315 58.000 -0.212 0.000 1.275 389 F CB 0.474 39.370 39.000 -0.173 0.000 1.073 389 F HN -0.150 nan 8.300 nan 0.000 0.586 390 R N -0.160 120.337 120.500 -0.004 0.000 2.566 390 R HA 0.749 5.090 4.340 0.002 0.000 0.271 390 R C -0.851 175.449 176.300 -0.000 0.000 1.071 390 R CA -0.928 55.176 56.100 0.006 0.000 0.915 390 R CB 0.912 31.225 30.300 0.021 0.000 1.228 390 R HN -0.096 nan 8.270 nan 0.000 0.449 391 A N 2.469 125.294 122.820 0.008 0.000 2.536 391 A HA 0.120 4.441 4.320 0.002 0.000 0.234 391 A C 0.032 177.633 177.584 0.028 0.000 1.076 391 A CA -0.186 51.864 52.037 0.021 0.000 0.769 391 A CB 0.163 19.174 19.000 0.017 0.000 1.020 391 A HN 0.810 nan 8.150 nan 0.000 0.508 392 R N 0.586 121.111 120.500 0.042 0.000 2.484 392 R HA 0.286 4.627 4.340 0.002 0.000 0.293 392 R C 0.984 177.285 176.300 0.003 0.000 1.023 392 R CA 1.221 57.344 56.100 0.039 0.000 1.037 392 R CB -0.372 29.967 30.300 0.066 0.000 0.951 392 R HN 1.806 nan 8.270 nan 0.000 0.418 393 G N 3.652 112.438 108.800 -0.023 0.000 2.367 393 G HA2 -0.307 3.655 3.960 0.002 0.000 0.295 393 G HA3 -0.307 3.655 3.960 0.002 0.000 0.295 393 G C -0.340 174.551 174.900 -0.015 0.000 1.019 393 G CA 0.727 45.806 45.100 -0.034 0.000 1.224 393 G HN 0.719 nan 8.290 nan 0.000 0.510 394 E N 0.125 120.321 120.200 -0.007 0.000 2.234 394 E HA 0.498 4.849 4.350 0.002 0.000 0.266 394 E C 0.438 177.038 176.600 -0.001 0.000 0.877 394 E CA -1.231 55.168 56.400 -0.002 0.000 0.758 394 E CB 0.884 30.587 29.700 0.003 0.000 1.170 394 E HN 0.463 nan 8.360 nan 0.000 0.415 395 K N 2.240 122.639 120.400 -0.002 0.000 2.258 395 K HA 0.438 4.759 4.320 0.002 0.000 0.284 395 K C -1.111 175.490 176.600 0.002 0.000 1.051 395 K CA -0.631 55.656 56.287 -0.000 0.000 0.923 395 K CB 1.433 33.932 32.500 -0.003 0.000 1.046 395 K HN 0.148 nan 8.250 nan 0.000 0.474 396 V N 3.023 122.939 119.914 0.004 0.000 2.612 396 V HA 0.155 4.276 4.120 0.002 0.000 0.301 396 V C -0.601 175.495 176.094 0.003 0.000 1.059 396 V CA -0.953 61.349 62.300 0.003 0.000 0.886 396 V CB 1.703 33.529 31.823 0.006 0.000 1.007 396 V HN 0.824 nan 8.190 nan 0.000 0.426 397 E N 2.963 123.163 120.200 -0.001 0.000 2.366 397 E HA 0.204 4.555 4.350 0.002 0.000 0.266 397 E C 0.610 177.210 176.600 -0.001 0.000 1.051 397 E CA -0.261 56.139 56.400 -0.000 0.000 0.884 397 E CB 0.891 30.588 29.700 -0.005 0.000 1.006 397 E HN 0.572 nan 8.360 nan 0.000 0.417 398 N N 2.498 121.202 118.700 0.006 0.000 2.096 398 N HA -0.246 4.496 4.740 0.002 0.000 0.195 398 N C 1.484 176.993 175.510 -0.001 0.000 1.017 398 N CA 1.219 54.276 53.050 0.013 0.000 0.870 398 N CB -0.126 38.378 38.487 0.028 0.000 1.024 398 N HN 0.452 nan 8.380 nan 0.000 0.434 399 K N 0.866 121.260 120.400 -0.010 0.000 2.032 399 K HA -0.215 4.106 4.320 0.002 0.000 0.209 399 K C 1.945 178.529 176.600 -0.027 0.000 1.048 399 K CA 1.667 57.942 56.287 -0.020 0.000 0.927 399 K CB -0.041 32.446 32.500 -0.022 0.000 0.712 399 K HN 0.128 nan 8.250 nan 0.000 0.441 400 E N 0.766 120.952 120.200 -0.024 0.000 2.028 400 E HA -0.179 4.173 4.350 0.002 0.000 0.191 400 E C 1.958 178.532 176.600 -0.042 0.000 0.988 400 E CA 0.921 57.304 56.400 -0.028 0.000 0.799 400 E CB -0.376 29.314 29.700 -0.018 0.000 0.755 400 E HN 0.229 nan 8.360 nan 0.000 0.447 401 L N 1.292 122.492 121.223 -0.037 0.000 2.129 401 L HA -0.176 4.165 4.340 0.002 0.000 0.212 401 L C 2.192 178.992 176.870 -0.117 0.000 1.087 401 L CA 2.008 56.813 54.840 -0.058 0.000 0.757 401 L CB -0.569 41.473 42.059 -0.028 0.000 0.896 401 L HN 0.169 nan 8.230 nan 0.000 0.434 402 K N -1.457 118.890 120.400 -0.088 0.000 2.001 402 K HA -0.186 4.136 4.320 0.002 0.000 0.208 402 K C 2.049 178.562 176.600 -0.145 0.000 1.048 402 K CA 1.364 57.586 56.287 -0.109 0.000 0.932 402 K CB -0.072 32.400 32.500 -0.046 0.000 0.715 402 K HN 0.340 nan 8.250 nan 0.000 0.437 403 Q N 0.652 120.390 119.800 -0.103 0.000 2.124 403 Q HA -0.130 4.211 4.340 0.002 0.000 0.202 403 Q C 2.121 178.047 176.000 -0.124 0.000 0.977 403 Q CA 1.305 57.050 55.803 -0.096 0.000 0.850 403 Q CB -0.165 28.537 28.738 -0.059 0.000 0.901 403 Q HN 0.355 nan 8.270 nan 0.000 0.429 404 R N -0.179 120.238 120.500 -0.138 0.000 2.082 404 R HA -0.111 4.230 4.340 0.002 0.000 0.234 404 R C 2.407 178.484 176.300 -0.373 0.000 1.136 404 R CA 1.614 57.626 56.100 -0.148 0.000 0.935 404 R CB -0.703 29.549 30.300 -0.080 0.000 0.842 404 R HN 0.080 nan 8.270 nan 0.000 0.430 405 V N 1.778 121.291 119.914 -0.668 0.000 2.392 405 V HA -0.233 3.889 4.120 0.002 0.000 0.249 405 V C 2.332 178.139 176.094 -0.478 0.000 1.059 405 V CA 1.690 63.364 62.300 -1.043 0.000 1.051 405 V CB -0.457 30.894 31.823 -0.786 0.000 0.658 405 V HN 0.291 nan 8.190 nan 0.000 0.455 406 L N -0.783 120.267 121.223 -0.289 0.000 2.131 406 L HA -0.078 4.263 4.340 0.002 0.000 0.206 406 L C 2.355 179.169 176.870 -0.093 0.000 1.087 406 L CA 1.516 56.254 54.840 -0.169 0.000 0.767 406 L CB -0.315 41.666 42.059 -0.131 0.000 0.917 406 L HN 0.382 nan 8.230 nan 0.000 0.441 407 E N -1.420 118.734 120.200 -0.077 0.000 2.399 407 E HA 0.024 4.376 4.350 0.002 0.000 0.205 407 E C 0.672 177.283 176.600 0.019 0.000 0.906 407 E CA -0.201 56.184 56.400 -0.024 0.000 0.998 407 E CB 0.546 30.230 29.700 -0.026 0.000 1.002 407 E HN 0.290 nan 8.360 nan 0.000 0.501 408 Q N 1.542 121.369 119.800 0.044 0.000 2.296 408 Q HA 0.326 4.667 4.340 0.002 0.000 0.262 408 Q C -0.829 175.266 176.000 0.159 0.000 0.981 408 Q CA -0.439 55.430 55.803 0.109 0.000 0.905 408 Q CB 0.949 29.788 28.738 0.169 0.000 1.186 408 Q HN 0.075 nan 8.270 nan 0.000 0.399 409 A N 3.858 126.728 122.820 0.084 0.000 2.450 409 A HA 0.249 4.570 4.320 0.002 0.000 0.255 409 A C -0.288 177.285 177.584 -0.019 0.000 1.096 409 A CA -0.481 51.592 52.037 0.059 0.000 0.778 409 A CB 0.559 19.585 19.000 0.044 0.000 1.031 409 A HN 0.623 nan 8.150 nan 0.000 0.494 410 V N 3.777 123.628 119.914 -0.105 0.000 2.479 410 V HA 0.245 4.366 4.120 0.002 0.000 0.281 410 V C 1.188 177.059 176.094 -0.372 0.000 1.031 410 V CA 0.579 62.642 62.300 -0.395 0.000 1.038 410 V CB 0.590 32.032 31.823 -0.634 0.000 0.981 410 V HN 1.053 nan 8.190 nan 0.000 0.478 411 T N 3.296 117.639 114.554 -0.350 0.000 2.909 411 T HA 0.598 4.949 4.350 0.002 0.000 0.286 411 T C -0.912 173.575 174.700 -0.356 0.000 1.002 411 T CA -0.458 61.522 62.100 -0.200 0.000 1.074 411 T CB 0.830 69.655 68.868 -0.073 0.000 0.984 411 T HN 0.368 nan 8.240 nan 0.000 0.495 412 Y N 2.640 122.917 120.300 -0.039 0.000 2.326 412 Y HA 0.475 5.026 4.550 0.002 0.000 0.331 412 Y C -1.795 174.126 175.900 0.034 0.000 0.962 412 Y CA -2.161 55.870 58.100 -0.115 0.000 1.167 412 Y CB 1.362 39.629 38.460 -0.321 0.000 1.148 412 Y HN 0.640 nan 8.280 nan 0.000 0.463 413 P HA 0.112 nan 4.420 nan 0.000 0.274 413 P C -0.077 177.360 177.300 0.228 0.000 1.256 413 P CA -0.235 62.988 63.100 0.205 0.000 0.795 413 P CB 1.367 33.161 31.700 0.158 0.000 1.038 414 D N -0.035 120.438 120.400 0.122 0.000 2.263 414 D HA -0.131 4.511 4.640 0.002 0.000 0.208 414 D C 1.609 177.943 176.300 0.057 0.000 0.971 414 D CA 1.039 55.091 54.000 0.086 0.000 0.867 414 D CB -0.186 40.641 40.800 0.045 0.000 0.929 414 D HN 0.330 nan 8.370 nan 0.000 0.492 415 K N -0.243 120.168 120.400 0.018 0.000 2.163 415 K HA -0.150 4.172 4.320 0.002 0.000 0.210 415 K C 0.140 176.624 176.600 -0.192 0.000 1.048 415 K CA 0.678 56.894 56.287 -0.118 0.000 0.928 415 K CB -0.272 32.091 32.500 -0.228 0.000 0.716 415 K HN 0.072 nan 8.250 nan 0.000 0.459 416 F N 0.701 120.616 119.950 -0.058 0.000 2.410 416 F HA 0.136 4.665 4.527 0.002 0.000 0.348 416 F C 0.894 176.658 175.800 -0.059 0.000 1.106 416 F CA -0.633 57.328 58.000 -0.066 0.000 1.163 416 F CB 0.896 39.866 39.000 -0.051 0.000 1.129 416 F HN -0.073 nan 8.300 nan 0.000 0.516 417 S N 3.478 119.228 115.700 0.085 0.000 2.600 417 S HA 0.224 4.695 4.470 0.002 0.000 0.265 417 S C -1.958 172.671 174.600 0.048 0.000 1.325 417 S CA -1.049 57.175 58.200 0.039 0.000 1.002 417 S CB 1.102 64.301 63.200 -0.002 0.000 0.921 417 S HN 0.395 nan 8.310 nan 0.000 0.554 418 P HA -0.013 nan 4.420 nan 0.000 0.218 418 P C 1.466 178.771 177.300 0.008 0.000 1.148 418 P CA 1.670 64.767 63.100 -0.004 0.000 0.822 418 P CB -0.220 31.476 31.700 -0.007 0.000 0.784 419 A N 0.024 122.857 122.820 0.022 0.000 1.930 419 A HA -0.169 4.153 4.320 0.002 0.000 0.217 419 A C 2.326 179.953 177.584 0.073 0.000 1.175 419 A CA 2.214 54.285 52.037 0.057 0.000 0.627 419 A CB -1.465 17.538 19.000 0.006 0.000 0.815 419 A HN 0.339 nan 8.150 nan 0.000 0.443 420 S N -0.393 115.341 115.700 0.057 0.000 2.414 420 S HA -0.086 4.386 4.470 0.002 0.000 0.227 420 S C 1.916 176.564 174.600 0.081 0.000 1.022 420 S CA 1.185 59.462 58.200 0.129 0.000 0.958 420 S CB -0.261 63.080 63.200 0.235 0.000 0.797 420 S HN 0.579 nan 8.310 nan 0.000 0.493 421 K N 1.459 121.806 120.400 -0.089 0.000 2.009 421 K HA -0.222 4.100 4.320 0.002 0.000 0.210 421 K C 1.904 178.292 176.600 -0.353 0.000 1.049 421 K CA 2.010 57.975 56.287 -0.538 0.000 0.929 421 K CB -0.541 31.652 32.500 -0.511 0.000 0.714 421 K HN 0.381 nan 8.250 nan 0.000 0.440 422 D N -0.454 119.889 120.400 -0.094 0.000 2.104 422 D HA -0.198 4.443 4.640 0.002 0.000 0.194 422 D C 1.781 178.153 176.300 0.120 0.000 0.994 422 D CA 1.245 55.276 54.000 0.051 0.000 0.830 422 D CB -0.127 40.793 40.800 0.199 0.000 0.959 422 D HN 0.217 nan 8.370 nan 0.000 0.452 423 F N 0.393 120.275 119.950 -0.112 0.000 2.102 423 F HA -0.157 4.372 4.527 0.002 0.000 0.298 423 F C 2.315 178.053 175.800 -0.105 0.000 1.105 423 F CA 1.055 58.865 58.000 -0.316 0.000 1.239 423 F CB -0.539 38.169 39.000 -0.488 0.000 0.991 423 F HN 0.129 nan 8.300 nan 0.000 0.474 424 C N 0.445 119.761 119.300 0.027 0.000 2.432 424 C HA -0.181 4.280 4.460 0.002 0.000 0.277 424 C C 2.689 177.682 174.990 0.006 0.000 1.249 424 C CA 1.273 60.311 59.018 0.033 0.000 1.725 424 C CB -1.187 26.684 27.740 0.218 0.000 2.028 424 C HN 0.510 nan 8.230 nan 0.000 0.477 425 E N 0.700 120.889 120.200 -0.017 0.000 2.097 425 E HA -0.253 4.098 4.350 0.002 0.000 0.196 425 E C 2.308 178.913 176.600 0.009 0.000 1.000 425 E CA 1.586 58.001 56.400 0.024 0.000 0.804 425 E CB -0.252 29.416 29.700 -0.053 0.000 0.740 425 E HN 0.708 nan 8.360 nan 0.000 0.454 426 A N 0.690 123.483 122.820 -0.045 0.000 1.929 426 A HA -0.100 4.221 4.320 0.002 0.000 0.216 426 A C 2.118 179.652 177.584 -0.083 0.000 1.176 426 A CA 0.873 52.879 52.037 -0.053 0.000 0.628 426 A CB -0.352 18.612 19.000 -0.061 0.000 0.816 426 A HN 0.125 nan 8.150 nan 0.000 0.444 427 L N -0.965 120.156 121.223 -0.169 0.000 2.270 427 L HA 0.049 4.390 4.340 0.002 0.000 0.210 427 L C 1.915 178.788 176.870 0.005 0.000 1.104 427 L CA 0.452 55.234 54.840 -0.096 0.000 0.804 427 L CB -0.297 41.652 42.059 -0.184 0.000 0.937 427 L HN 0.295 nan 8.230 nan 0.000 0.450 428 L N -0.670 120.546 121.223 -0.012 0.000 2.591 428 L HA 0.041 4.383 4.340 0.002 0.000 0.228 428 L C 0.734 177.766 176.870 0.271 0.000 1.133 428 L CA -0.312 54.549 54.840 0.036 0.000 0.880 428 L CB -0.180 41.850 42.059 -0.049 0.000 1.033 428 L HN 0.178 nan 8.230 nan 0.000 0.450 429 Q N 1.626 121.538 119.800 0.186 0.000 2.687 429 Q HA -0.156 4.185 4.340 0.002 0.000 0.341 429 Q C 0.969 177.097 176.000 0.212 0.000 1.074 429 Q CA 0.896 56.800 55.803 0.168 0.000 1.115 429 Q CB 0.433 29.238 28.738 0.111 0.000 0.996 429 Q HN 0.193 nan 8.270 nan 0.000 0.397 430 K N 2.138 122.635 120.400 0.162 0.000 2.217 430 K HA -0.080 4.242 4.320 0.002 0.000 0.202 430 K C 0.101 176.715 176.600 0.023 0.000 1.051 430 K CA 0.829 57.168 56.287 0.087 0.000 0.952 430 K CB 0.241 32.773 32.500 0.054 0.000 0.736 430 K HN 0.560 nan 8.250 nan 0.000 0.453 431 D N 1.201 121.627 120.400 0.044 0.000 2.316 431 D HA 0.035 4.676 4.640 0.002 0.000 0.245 431 D C -1.645 174.681 176.300 0.044 0.000 1.171 431 D CA -2.556 51.461 54.000 0.028 0.000 0.856 431 D CB 1.355 42.172 40.800 0.028 0.000 1.090 431 D HN -0.123 nan 8.370 nan 0.000 0.476 432 P HA -0.184 nan 4.420 nan 0.000 0.216 432 P C 1.065 178.399 177.300 0.057 0.000 1.150 432 P CA 0.993 64.127 63.100 0.057 0.000 0.837 432 P CB 0.482 32.210 31.700 0.046 0.000 0.786 433 E N 0.083 120.307 120.200 0.040 0.000 2.204 433 E HA -0.133 4.219 4.350 0.002 0.000 0.195 433 E C 1.884 178.502 176.600 0.031 0.000 0.990 433 E CA 1.134 57.554 56.400 0.033 0.000 0.821 433 E CB -0.255 29.459 29.700 0.024 0.000 0.750 433 E HN 0.195 nan 8.360 nan 0.000 0.477 434 K N -0.134 120.288 120.400 0.036 0.000 2.400 434 K HA 0.070 4.391 4.320 0.002 0.000 0.194 434 K C 0.541 177.166 176.600 0.041 0.000 1.033 434 K CA -0.191 56.117 56.287 0.035 0.000 1.021 434 K CB 0.290 32.813 32.500 0.037 0.000 0.808 434 K HN -0.052 nan 8.250 nan 0.000 0.505 435 R N 1.810 122.343 120.500 0.055 0.000 2.491 435 R HA 0.047 4.389 4.340 0.002 0.000 0.283 435 R C -0.168 176.142 176.300 0.017 0.000 1.072 435 R CA -0.377 55.760 56.100 0.063 0.000 1.048 435 R CB 0.364 30.736 30.300 0.120 0.000 0.983 435 R HN -0.090 nan 8.270 nan 0.000 0.450 436 L N 3.214 124.427 121.223 -0.016 0.000 2.473 436 L HA 0.354 4.695 4.340 0.002 0.000 0.268 436 L C 0.644 177.397 176.870 -0.195 0.000 1.215 436 L CA 1.775 56.571 54.840 -0.075 0.000 0.823 436 L CB 0.996 43.004 42.059 -0.085 0.000 1.099 436 L HN 0.913 nan 8.230 nan 0.000 0.483 437 G N 2.457 111.057 108.800 -0.333 0.000 2.470 437 G HA2 -0.038 3.924 3.960 0.002 0.000 0.145 437 G HA3 -0.038 3.924 3.960 0.002 0.000 0.145 437 G C -1.317 173.270 174.900 -0.522 0.000 1.223 437 G CA -0.342 44.221 45.100 -0.896 0.000 1.058 437 G HN 0.557 nan 8.290 nan 0.000 0.469 438 F N 2.634 122.245 119.950 -0.565 0.000 2.405 438 F HA 0.840 5.368 4.527 0.002 0.000 0.358 438 F C 0.374 176.138 175.800 -0.060 0.000 1.151 438 F CA -0.529 57.376 58.000 -0.158 0.000 1.161 438 F CB 0.608 39.650 39.000 0.070 0.000 1.245 438 F HN 0.336 nan 8.300 nan 0.000 0.545 439 R N 3.381 123.609 120.500 -0.452 0.000 2.740 439 R HA 0.368 4.709 4.340 0.002 0.000 0.282 439 R C -0.609 175.394 176.300 -0.496 0.000 0.969 439 R CA -0.724 55.162 56.100 -0.357 0.000 0.918 439 R CB 0.888 31.073 30.300 -0.192 0.000 1.175 439 R HN 0.583 nan 8.270 nan 0.000 0.464 440 D N 1.847 122.043 120.400 -0.340 0.000 2.772 440 D HA -0.165 4.476 4.640 0.002 0.000 0.233 440 D C 0.604 176.703 176.300 -0.335 0.000 1.143 440 D CA 1.928 55.775 54.000 -0.257 0.000 0.700 440 D CB -1.102 39.590 40.800 -0.181 0.000 1.076 440 D HN 0.933 nan 8.370 nan 0.000 0.430 441 G N -1.179 107.300 108.800 -0.535 0.000 2.155 441 G HA2 -0.226 3.735 3.960 0.002 0.000 0.257 441 G HA3 -0.226 3.735 3.960 0.002 0.000 0.257 441 G C 0.324 175.005 174.900 -0.365 0.000 0.983 441 G CA 1.435 46.324 45.100 -0.352 0.000 0.676 441 G HN 1.516 nan 8.290 nan 0.000 0.528 442 S N -2.799 112.487 115.700 -0.691 0.000 2.688 442 S HA 0.561 5.032 4.470 0.002 0.000 0.275 442 S C 0.325 174.739 174.600 -0.311 0.000 1.175 442 S CA 0.165 58.193 58.200 -0.287 0.000 0.818 442 S CB 1.390 64.479 63.200 -0.185 0.000 1.157 442 S HN 0.705 nan 8.310 nan 0.000 0.482 443 C N 1.337 120.572 119.300 -0.109 0.000 2.778 443 C HA 0.398 4.859 4.460 0.002 0.000 0.294 443 C C 1.268 176.117 174.990 -0.234 0.000 1.331 443 C CA -0.250 58.705 59.018 -0.105 0.000 1.741 443 C CB -1.845 25.878 27.740 -0.030 0.000 2.106 443 C HN 0.871 nan 8.230 nan 0.000 0.603 444 D N 1.341 121.593 120.400 -0.247 0.000 2.178 444 D HA -0.067 4.574 4.640 0.002 0.000 0.201 444 D C 2.227 178.409 176.300 -0.197 0.000 0.980 444 D CA 1.690 55.529 54.000 -0.269 0.000 0.842 444 D CB -0.350 40.328 40.800 -0.204 0.000 0.948 444 D HN 0.542 nan 8.370 nan 0.000 0.472 445 G N 0.974 109.688 108.800 -0.142 0.000 2.459 445 G HA2 -0.261 3.700 3.960 0.002 0.000 0.217 445 G HA3 -0.261 3.700 3.960 0.002 0.000 0.217 445 G C 1.628 176.528 174.900 -0.000 0.000 1.183 445 G CA 0.668 45.726 45.100 -0.070 0.000 0.776 445 G HN 0.347 nan 8.290 nan 0.000 0.552 446 L N 0.069 121.289 121.223 -0.004 0.000 2.079 446 L HA -0.035 4.306 4.340 0.002 0.000 0.210 446 L C 3.009 180.002 176.870 0.204 0.000 1.081 446 L CA 1.304 56.237 54.840 0.156 0.000 0.752 446 L CB -0.145 41.988 42.059 0.122 0.000 0.896 446 L HN 0.140 nan 8.230 nan 0.000 0.433 447 R N -0.965 119.451 120.500 -0.141 0.000 2.189 447 R HA -0.077 4.264 4.340 0.002 0.000 0.223 447 R C 1.715 178.095 176.300 0.133 0.000 1.092 447 R CA 1.593 57.480 56.100 -0.355 0.000 0.989 447 R CB -0.350 29.250 30.300 -1.167 0.000 0.876 447 R HN 0.498 nan 8.270 nan 0.000 0.457 448 T N -1.026 113.608 114.554 0.133 0.000 3.148 448 T HA -0.037 4.314 4.350 0.002 0.000 0.253 448 T C 0.663 175.523 174.700 0.268 0.000 1.134 448 T CA -0.029 62.179 62.100 0.181 0.000 1.051 448 T CB -0.208 68.705 68.868 0.076 0.000 0.959 448 T HN 0.194 nan 8.240 nan 0.000 0.525 449 H N 2.914 122.171 119.070 0.313 0.000 2.964 449 H HA 0.072 4.629 4.556 0.002 0.000 0.328 449 H C -1.814 173.619 175.328 0.175 0.000 1.030 449 H CA -1.811 54.402 56.048 0.275 0.000 1.445 449 H CB 1.284 31.302 29.762 0.426 0.000 1.449 449 H HN -0.080 nan 8.280 nan 0.000 0.581 450 P HA -0.215 nan 4.420 nan 0.000 0.218 450 P C 1.750 179.078 177.300 0.046 0.000 1.147 450 P CA 0.721 63.834 63.100 0.021 0.000 0.827 450 P CB 0.140 31.782 31.700 -0.098 0.000 0.778 451 L N -1.611 119.641 121.223 0.048 0.000 2.127 451 L HA -0.107 4.235 4.340 0.002 0.000 0.211 451 L C 1.600 178.188 176.870 -0.469 0.000 1.089 451 L CA 1.762 56.371 54.840 -0.384 0.000 0.757 451 L CB -1.126 40.373 42.059 -0.933 0.000 0.899 451 L HN -0.085 nan 8.230 nan 0.000 0.434 452 F N -1.150 118.809 119.950 0.015 0.000 2.664 452 F HA 0.176 4.705 4.527 0.003 0.000 0.301 452 F C 2.164 177.969 175.800 0.008 0.000 1.126 452 F CA -0.015 57.982 58.000 -0.005 0.000 1.373 452 F CB -0.491 38.621 39.000 0.186 0.000 1.042 452 F HN 0.040 nan 8.300 nan 0.000 0.535 453 R N 1.069 121.639 120.500 0.116 0.000 2.153 453 R HA -0.204 4.137 4.340 0.002 0.000 0.252 453 R C 0.261 176.590 176.300 0.049 0.000 1.158 453 R CA 2.136 58.285 56.100 0.082 0.000 0.975 453 R CB -0.255 30.064 30.300 0.033 0.000 0.871 453 R HN 0.144 nan 8.270 nan 0.000 0.450 454 D N 0.129 120.537 120.400 0.013 0.000 2.738 454 D HA 0.192 4.833 4.640 0.002 0.000 0.246 454 D C -0.511 175.761 176.300 -0.045 0.000 1.270 454 D CA 0.057 54.049 54.000 -0.013 0.000 0.833 454 D CB 0.416 41.202 40.800 -0.023 0.000 1.040 454 D HN 0.137 nan 8.370 nan 0.000 0.487 455 I N 0.766 121.283 120.570 -0.089 0.000 2.447 455 I HA 0.093 4.265 4.170 0.002 0.000 0.287 455 I C 0.330 176.287 176.117 -0.267 0.000 1.023 455 I CA -0.493 60.656 61.300 -0.251 0.000 1.083 455 I CB 2.006 39.682 38.000 -0.539 0.000 1.245 455 I HN -0.225 nan 8.210 nan 0.000 0.434 456 S N 5.442 121.038 115.700 -0.174 0.000 2.494 456 S HA 0.120 4.592 4.470 0.002 0.000 0.312 456 S C 0.799 175.336 174.600 -0.104 0.000 1.121 456 S CA -0.335 57.818 58.200 -0.078 0.000 1.068 456 S CB -0.023 63.165 63.200 -0.021 0.000 1.141 456 S HN 0.510 nan 8.310 nan 0.000 0.527 457 W N 4.196 125.480 121.300 -0.027 0.000 2.358 457 W HA -0.080 4.581 4.660 0.003 0.000 0.303 457 W C 2.548 179.055 176.519 -0.021 0.000 1.208 457 W CA 0.935 58.245 57.345 -0.057 0.000 1.274 457 W CB -0.208 29.201 29.460 -0.085 0.000 1.138 457 W HN 0.620 nan 8.180 nan 0.000 0.515 458 R N 0.704 121.336 120.500 0.219 0.000 2.119 458 R HA -0.274 4.067 4.340 0.002 0.000 0.246 458 R C 1.914 178.273 176.300 0.099 0.000 1.146 458 R CA 2.337 58.514 56.100 0.129 0.000 0.962 458 R CB -0.403 29.940 30.300 0.072 0.000 0.863 458 R HN 0.313 nan 8.270 nan 0.000 0.442 459 Q N -0.176 119.665 119.800 0.069 0.000 2.123 459 Q HA -0.086 4.255 4.340 0.002 0.000 0.196 459 Q C 2.173 178.220 176.000 0.077 0.000 0.958 459 Q CA 0.908 56.743 55.803 0.054 0.000 0.841 459 Q CB -0.108 28.648 28.738 0.029 0.000 0.915 459 Q HN 0.239 nan 8.270 nan 0.000 0.455 460 L N 1.711 122.960 121.223 0.044 0.000 1.978 460 L HA -0.269 4.073 4.340 0.002 0.000 0.218 460 L C 1.866 178.880 176.870 0.240 0.000 1.075 460 L CA 2.005 56.870 54.840 0.042 0.000 0.767 460 L CB -0.312 41.641 42.059 -0.178 0.000 0.890 460 L HN 0.163 nan 8.230 nan 0.000 0.434 461 E N -0.798 119.570 120.200 0.280 0.000 2.160 461 E HA -0.191 4.161 4.350 0.002 0.000 0.195 461 E C 1.971 178.727 176.600 0.260 0.000 0.991 461 E CA 1.033 57.681 56.400 0.412 0.000 0.810 461 E CB -0.297 29.595 29.700 0.320 0.000 0.742 461 E HN 0.671 nan 8.360 nan 0.000 0.466 462 A N -0.037 122.877 122.820 0.157 0.000 2.208 462 A HA 0.226 4.547 4.320 0.002 0.000 0.209 462 A C 1.713 179.324 177.584 0.045 0.000 1.161 462 A CA 0.811 52.897 52.037 0.081 0.000 0.782 462 A CB -0.239 18.798 19.000 0.063 0.000 0.816 462 A HN 0.328 nan 8.150 nan 0.000 0.477 463 G N -1.733 107.109 108.800 0.071 0.000 2.136 463 G HA2 -0.308 3.654 3.960 0.002 0.000 0.242 463 G HA3 -0.308 3.654 3.960 0.002 0.000 0.242 463 G C 0.698 175.636 174.900 0.063 0.000 0.989 463 G CA 0.682 45.808 45.100 0.043 0.000 0.682 463 G HN 0.372 nan 8.290 nan 0.000 0.522 464 M N -0.419 119.225 119.600 0.073 0.000 2.429 464 M HA 0.343 4.824 4.480 0.002 0.000 0.265 464 M C 1.525 177.874 176.300 0.081 0.000 1.120 464 M CA 0.512 55.848 55.300 0.059 0.000 1.173 464 M CB 0.020 32.644 32.600 0.040 0.000 1.343 464 M HN 0.187 nan 8.290 nan 0.000 0.464 465 L N 1.729 123.025 121.223 0.122 0.000 2.593 465 L HA -0.075 4.267 4.340 0.002 0.000 0.287 465 L C 0.129 177.083 176.870 0.140 0.000 1.243 465 L CA 0.117 55.050 54.840 0.155 0.000 0.890 465 L CB -0.270 41.963 42.059 0.290 0.000 1.134 465 L HN 0.176 nan 8.230 nan 0.000 0.502 466 T N 4.894 119.467 114.554 0.031 0.000 2.829 466 T HA 0.136 4.487 4.350 0.002 0.000 0.293 466 T C -1.977 172.594 174.700 -0.215 0.000 0.970 466 T CA -0.770 61.296 62.100 -0.055 0.000 1.168 466 T CB 0.356 69.175 68.868 -0.082 0.000 0.911 466 T HN 0.378 nan 8.240 nan 0.000 0.535 467 P HA 0.097 nan 4.420 nan 0.000 0.269 467 P C -1.516 175.459 177.300 -0.542 0.000 1.217 467 P CA -1.252 61.499 63.100 -0.580 0.000 0.783 467 P CB 0.194 31.796 31.700 -0.163 0.000 0.898 468 P HA -0.010 nan 4.420 nan 0.000 0.218 468 P C -0.125 177.081 177.300 -0.157 0.000 1.152 468 P CA 1.208 64.061 63.100 -0.412 0.000 0.826 468 P CB 0.253 31.648 31.700 -0.508 0.000 0.790 469 F N 0.902 120.692 119.950 -0.267 0.000 2.553 469 F HA 0.383 4.911 4.527 0.002 0.000 0.335 469 F C -0.923 174.811 175.800 -0.111 0.000 1.148 469 F CA -1.233 56.665 58.000 -0.170 0.000 0.963 469 F CB 1.322 40.216 39.000 -0.176 0.000 1.217 469 F HN -0.423 nan 8.300 nan 0.000 0.441 470 V N 8.206 127.738 119.914 -0.638 0.000 2.455 470 V HA 0.306 4.428 4.120 0.002 0.000 0.273 470 V C -1.765 173.827 176.094 -0.836 0.000 1.045 470 V CA -1.126 60.862 62.300 -0.521 0.000 0.976 470 V CB 0.309 31.936 31.823 -0.328 0.000 0.993 470 V HN 0.621 nan 8.190 nan 0.000 0.475 471 P HA 0.609 nan 4.420 nan 0.000 0.279 471 P C -0.828 176.415 177.300 -0.095 0.000 1.276 471 P CA -0.255 62.716 63.100 -0.214 0.000 0.801 471 P CB 1.269 33.022 31.700 0.088 0.000 1.127 482 Q N 2.100 121.866 119.800 -0.058 0.000 2.257 482 Q HA 0.246 4.588 4.340 0.002 0.000 0.255 482 Q C -0.980 174.990 176.000 -0.050 0.000 0.920 482 Q CA -0.568 55.210 55.803 -0.041 0.000 0.927 482 Q CB 1.169 29.885 28.738 -0.037 0.000 1.229 482 Q HN 0.197 nan 8.270 nan 0.000 0.433 483 D N 3.381 123.764 120.400 -0.030 0.000 2.312 483 D HA 0.074 4.716 4.640 0.002 0.000 0.252 483 D C 0.388 176.666 176.300 -0.037 0.000 1.150 483 D CA -0.180 53.804 54.000 -0.028 0.000 0.870 483 D CB 1.761 42.574 40.800 0.022 0.000 1.153 483 D HN 0.473 nan 8.370 nan 0.000 0.457 484 V N 3.524 123.396 119.914 -0.070 0.000 3.306 484 V HA 0.201 4.323 4.120 0.002 0.000 0.264 484 V C 1.542 177.587 176.094 -0.081 0.000 1.149 484 V CA 1.024 63.265 62.300 -0.098 0.000 1.143 484 V CB -0.819 30.898 31.823 -0.177 0.000 0.767 484 V HN 0.929 nan 8.190 nan 0.000 0.476 485 G N 0.246 109.025 108.800 -0.035 0.000 2.488 485 G HA2 -0.024 3.937 3.960 0.002 0.000 0.237 485 G HA3 -0.024 3.937 3.960 0.002 0.000 0.237 485 G C 0.174 175.077 174.900 0.004 0.000 1.209 485 G CA -0.074 45.028 45.100 0.003 0.000 0.929 485 G HN 1.077 nan 8.290 nan 0.000 0.578 486 A N -0.482 122.348 122.820 0.017 0.000 2.287 486 A HA 0.757 5.078 4.320 0.002 0.000 0.273 486 A C -0.208 177.372 177.584 -0.007 0.000 1.091 486 A CA 0.017 52.108 52.037 0.090 0.000 0.817 486 A CB 0.319 19.379 19.000 0.100 0.000 1.069 486 A HN 1.102 nan 8.150 nan 0.000 0.492 487 F N 0.573 120.539 119.950 0.027 0.000 2.377 487 F HA 0.387 4.916 4.527 0.003 0.000 0.328 487 F C 1.490 177.301 175.800 0.018 0.000 1.094 487 F CA 0.072 58.082 58.000 0.016 0.000 1.093 487 F CB 1.231 40.245 39.000 0.023 0.000 1.214 487 F HN 0.629 nan 8.300 nan 0.000 0.518 488 S N 0.246 116.041 115.700 0.158 0.000 2.573 488 S HA 0.140 4.611 4.470 0.002 0.000 0.277 488 S C 0.037 174.701 174.600 0.107 0.000 1.346 488 S CA -0.978 57.278 58.200 0.094 0.000 1.034 488 S CB 0.100 63.333 63.200 0.054 0.000 0.879 488 S HN 0.612 nan 8.310 nan 0.000 0.528 489 T N 1.805 116.402 114.554 0.072 0.000 2.937 489 T HA 0.301 4.652 4.350 0.002 0.000 0.316 489 T C 0.284 175.017 174.700 0.055 0.000 1.079 489 T CA -0.295 61.841 62.100 0.061 0.000 1.131 489 T CB 0.092 68.984 68.868 0.040 0.000 1.000 489 T HN 1.001 nan 8.240 nan 0.000 0.549 490 V N 0.993 120.935 119.914 0.048 0.000 2.266 490 V HA 0.437 4.558 4.120 0.002 0.000 0.271 490 V C 0.094 176.195 176.094 0.012 0.000 1.032 490 V CA -1.125 61.197 62.300 0.037 0.000 0.806 490 V CB 0.042 31.896 31.823 0.051 0.000 1.052 490 V HN 0.671 nan 8.190 nan 0.000 0.449 491 K N 2.782 123.186 120.400 0.008 0.000 2.237 491 K HA 0.543 4.865 4.320 0.002 0.000 0.270 491 K C 1.127 177.716 176.600 -0.018 0.000 1.015 491 K CA 0.368 56.652 56.287 -0.005 0.000 0.949 491 K CB 0.993 33.492 32.500 -0.001 0.000 0.976 491 K HN 1.252 nan 8.250 nan 0.000 0.472 492 G N 0.797 109.579 108.800 -0.031 0.000 2.333 492 G HA2 -0.207 3.754 3.960 0.002 0.000 0.296 492 G HA3 -0.207 3.754 3.960 0.002 0.000 0.296 492 G C -0.466 174.399 174.900 -0.058 0.000 1.059 492 G CA -0.212 44.863 45.100 -0.040 0.000 1.050 492 G HN 0.334 nan 8.290 nan 0.000 0.508 493 V N -0.030 119.824 119.914 -0.099 0.000 2.419 493 V HA 0.799 4.921 4.120 0.002 0.000 0.287 493 V C 0.443 176.352 176.094 -0.309 0.000 1.017 493 V CA -0.319 61.887 62.300 -0.157 0.000 0.844 493 V CB 1.343 33.086 31.823 -0.134 0.000 1.011 493 V HN 1.279 nan 8.190 nan 0.000 0.429 494 A N 4.722 127.386 122.820 -0.261 0.000 2.337 494 A HA 0.940 5.261 4.320 0.002 0.000 0.331 494 A C -0.897 176.535 177.584 -0.253 0.000 1.137 494 A CA -0.519 51.333 52.037 -0.310 0.000 0.807 494 A CB 0.987 19.914 19.000 -0.121 0.000 1.250 494 A HN 0.631 nan 8.150 nan 0.000 0.468 495 F N 0.751 120.748 119.950 0.078 0.000 2.404 495 F HA 0.372 4.901 4.527 0.003 0.000 0.339 495 F C 0.891 176.712 175.800 0.034 0.000 1.105 495 F CA -0.241 57.804 58.000 0.075 0.000 1.087 495 F CB 1.411 40.486 39.000 0.125 0.000 1.143 495 F HN 0.647 nan 8.300 nan 0.000 0.491 496 E N 1.483 121.818 120.200 0.225 0.000 2.292 496 E HA 0.151 4.502 4.350 0.002 0.000 0.258 496 E C 0.795 177.432 176.600 0.062 0.000 1.115 496 E CA -0.710 55.755 56.400 0.108 0.000 0.929 496 E CB 1.350 31.091 29.700 0.069 0.000 1.161 496 E HN 0.534 nan 8.360 nan 0.000 0.453 497 K N 0.938 121.356 120.400 0.031 0.000 2.044 497 K HA -0.255 4.067 4.320 0.002 0.000 0.210 497 K C 1.849 178.423 176.600 -0.043 0.000 1.049 497 K CA 1.786 58.072 56.287 -0.002 0.000 0.927 497 K CB -0.249 32.253 32.500 0.004 0.000 0.713 497 K HN 0.556 nan 8.250 nan 0.000 0.443 498 A N 1.423 124.227 122.820 -0.026 0.000 1.958 498 A HA -0.255 4.066 4.320 0.002 0.000 0.221 498 A C 1.656 179.171 177.584 -0.115 0.000 1.178 498 A CA 2.225 54.239 52.037 -0.038 0.000 0.642 498 A CB -0.605 18.392 19.000 -0.004 0.000 0.816 498 A HN 0.469 nan 8.150 nan 0.000 0.453 499 D N -0.882 119.412 120.400 -0.175 0.000 2.103 499 D HA -0.078 4.563 4.640 0.002 0.000 0.199 499 D C 2.007 177.657 176.300 -1.082 0.000 0.978 499 D CA 1.818 55.498 54.000 -0.535 0.000 0.829 499 D CB -0.757 39.873 40.800 -0.282 0.000 0.981 499 D HN 0.387 nan 8.370 nan 0.000 0.464 500 T N 1.851 116.064 114.554 -0.568 0.000 2.720 500 T HA -0.135 4.217 4.350 0.002 0.000 0.268 500 T C 1.708 176.264 174.700 -0.239 0.000 1.037 500 T CA 1.028 62.920 62.100 -0.346 0.000 1.144 500 T CB -0.041 68.767 68.868 -0.100 0.000 0.864 500 T HN 0.167 nan 8.240 nan 0.000 0.444 501 E N 0.613 120.703 120.200 -0.183 0.000 2.072 501 E HA -0.061 4.290 4.350 0.002 0.000 0.191 501 E C 1.933 178.471 176.600 -0.104 0.000 0.985 501 E CA 0.739 57.080 56.400 -0.097 0.000 0.801 501 E CB -0.512 29.159 29.700 -0.049 0.000 0.750 501 E HN 0.539 nan 8.360 nan 0.000 0.452 502 F N 1.126 120.883 119.950 -0.323 0.000 2.161 502 F HA -0.197 4.332 4.527 0.002 0.000 0.300 502 F C 1.999 177.714 175.800 -0.142 0.000 1.089 502 F CA 1.367 59.182 58.000 -0.309 0.000 1.282 502 F CB -0.410 38.262 39.000 -0.547 0.000 1.010 502 F HN -0.072 nan 8.300 nan 0.000 0.485 503 F N -0.037 119.712 119.950 -0.334 0.000 2.128 503 F HA -0.185 4.344 4.527 0.002 0.000 0.295 503 F C 2.567 178.230 175.800 -0.229 0.000 1.100 503 F CA 0.761 58.537 58.000 -0.374 0.000 1.260 503 F CB -0.768 38.054 39.000 -0.296 0.000 1.009 503 F HN -0.050 nan 8.300 nan 0.000 0.476 504 Q N 0.395 120.204 119.800 0.016 0.000 2.124 504 Q HA -0.245 4.097 4.340 0.002 0.000 0.202 504 Q C 2.064 178.031 176.000 -0.054 0.000 0.977 504 Q CA 1.689 57.486 55.803 -0.010 0.000 0.850 504 Q CB -0.198 28.531 28.738 -0.015 0.000 0.901 504 Q HN 0.458 nan 8.270 nan 0.000 0.429 505 E N -0.024 120.117 120.200 -0.099 0.000 2.051 505 E HA -0.213 4.138 4.350 0.002 0.000 0.192 505 E C 1.684 178.181 176.600 -0.170 0.000 0.991 505 E CA 0.887 57.214 56.400 -0.122 0.000 0.799 505 E CB -0.132 29.502 29.700 -0.109 0.000 0.748 505 E HN 0.326 nan 8.360 nan 0.000 0.449 506 F N 1.367 121.056 119.950 -0.434 0.000 2.095 506 F HA -0.100 4.428 4.527 0.003 0.000 0.298 506 F C 1.329 176.970 175.800 -0.264 0.000 1.104 506 F CA 1.331 59.069 58.000 -0.437 0.000 1.232 506 F CB -0.179 38.424 39.000 -0.662 0.000 0.987 506 F HN 0.005 nan 8.300 nan 0.000 0.475 507 A N 0.149 122.977 122.820 0.014 0.000 3.051 507 A HA 0.226 4.547 4.320 0.002 0.000 0.257 507 A C 1.442 178.983 177.584 -0.072 0.000 1.785 507 A CA 0.499 52.536 52.037 -0.001 0.000 1.420 507 A CB -1.381 17.668 19.000 0.082 0.000 1.063 507 A HN 0.456 nan 8.150 nan 0.000 0.630 508 S N -0.137 115.462 115.700 -0.168 0.000 2.561 508 S HA 0.398 4.870 4.470 0.002 0.000 0.225 508 S C 1.238 175.768 174.600 -0.116 0.000 0.977 508 S CA 0.704 58.817 58.200 -0.146 0.000 0.926 508 S CB -0.441 62.645 63.200 -0.189 0.000 0.769 508 S HN 2.138 nan 8.310 nan 0.000 0.533 509 G N 0.531 109.283 108.800 -0.080 0.000 2.464 509 G HA2 -0.119 3.842 3.960 0.002 0.000 0.216 509 G HA3 -0.119 3.842 3.960 0.002 0.000 0.216 509 G C -0.423 174.443 174.900 -0.056 0.000 1.186 509 G CA -0.388 44.684 45.100 -0.047 0.000 1.010 509 G HN 0.567 nan 8.290 nan 0.000 0.585 510 T N 0.716 115.191 114.554 -0.131 0.000 2.845 510 T HA 0.489 4.841 4.350 0.002 0.000 0.288 510 T C 0.252 174.803 174.700 -0.248 0.000 0.980 510 T CA 0.226 62.177 62.100 -0.250 0.000 1.071 510 T CB 1.060 69.707 68.868 -0.369 0.000 0.941 510 T HN 0.825 nan 8.240 nan 0.000 0.487 511 C N 6.164 125.305 119.300 -0.264 0.000 2.325 511 C HA 0.274 4.735 4.460 0.002 0.000 0.347 511 C C -0.795 174.154 174.990 -0.067 0.000 1.263 511 C CA -1.362 57.571 59.018 -0.141 0.000 1.806 511 C CB 0.442 28.113 27.740 -0.115 0.000 2.405 511 C HN 0.727 nan 8.230 nan 0.000 0.537 512 P HA -0.155 nan 4.420 nan 0.000 0.213 512 P C 1.444 178.809 177.300 0.108 0.000 1.176 512 P CA 1.610 64.740 63.100 0.050 0.000 0.919 512 P CB 0.104 31.824 31.700 0.034 0.000 0.791 513 I N -0.682 119.914 120.570 0.043 0.000 2.163 513 I HA -0.194 3.977 4.170 0.002 0.000 0.243 513 I C -0.607 175.531 176.117 0.035 0.000 1.085 513 I CA 2.054 63.346 61.300 -0.015 0.000 1.347 513 I CB -1.909 35.961 38.000 -0.216 0.000 1.044 513 I HN 0.071 nan 8.210 nan 0.000 0.408 514 P HA -0.194 nan 4.420 nan 0.000 0.217 514 P C 1.290 178.656 177.300 0.109 0.000 1.150 514 P CA 1.268 64.419 63.100 0.084 0.000 0.832 514 P CB -0.137 31.600 31.700 0.062 0.000 0.787 515 W N 0.889 122.134 121.300 -0.091 0.000 2.355 515 W HA -0.153 4.508 4.660 0.002 0.000 0.309 515 W C 2.295 178.826 176.519 0.019 0.000 1.206 515 W CA 1.586 58.903 57.345 -0.047 0.000 1.284 515 W CB -0.822 28.570 29.460 -0.114 0.000 1.145 515 W HN -0.068 nan 8.180 nan 0.000 0.502 516 Q N 0.011 119.882 119.800 0.117 0.000 2.061 516 Q HA -0.259 4.082 4.340 0.002 0.000 0.204 516 Q C 2.073 177.927 176.000 -0.243 0.000 0.984 516 Q CA 2.099 57.828 55.803 -0.124 0.000 0.846 516 Q CB -0.527 28.224 28.738 0.022 0.000 0.902 516 Q HN 0.454 nan 8.270 nan 0.000 0.421 517 E N 0.745 120.866 120.200 -0.131 0.000 2.070 517 E HA -0.266 4.085 4.350 0.002 0.000 0.197 517 E C 1.987 178.509 176.600 -0.129 0.000 1.004 517 E CA 1.318 57.644 56.400 -0.122 0.000 0.805 517 E CB -0.058 29.612 29.700 -0.050 0.000 0.744 517 E HN 0.354 nan 8.360 nan 0.000 0.451 518 E N 0.198 120.336 120.200 -0.102 0.000 2.058 518 E HA -0.240 4.111 4.350 0.002 0.000 0.194 518 E C 2.062 178.558 176.600 -0.173 0.000 0.997 518 E CA 1.270 57.625 56.400 -0.075 0.000 0.801 518 E CB 0.063 29.800 29.700 0.062 0.000 0.746 518 E HN 0.122 nan 8.360 nan 0.000 0.450 519 M N 0.351 119.727 119.600 -0.373 0.000 2.106 519 M HA -0.175 4.306 4.480 0.002 0.000 0.259 519 M C 2.342 178.557 176.300 -0.141 0.000 1.068 519 M CA 1.350 56.455 55.300 -0.326 0.000 1.100 519 M CB -0.860 31.383 32.600 -0.595 0.000 1.351 519 M HN 0.253 nan 8.290 nan 0.000 0.404 520 I N -0.173 120.276 120.570 -0.202 0.000 2.162 520 I HA -0.253 3.918 4.170 0.002 0.000 0.238 520 I C 2.215 178.292 176.117 -0.066 0.000 1.076 520 I CA 1.199 62.410 61.300 -0.149 0.000 1.353 520 I CB -0.445 37.381 38.000 -0.289 0.000 1.063 520 I HN 0.302 nan 8.210 nan 0.000 0.408 521 E N -0.329 119.822 120.200 -0.081 0.000 2.209 521 E HA -0.234 4.118 4.350 0.002 0.000 0.196 521 E C 1.886 178.473 176.600 -0.023 0.000 0.993 521 E CA 1.602 57.972 56.400 -0.049 0.000 0.819 521 E CB -0.125 29.544 29.700 -0.052 0.000 0.745 521 E HN 0.328 nan 8.360 nan 0.000 0.477 522 T N -1.966 112.578 114.554 -0.017 0.000 3.060 522 T HA 0.187 4.538 4.350 0.002 0.000 0.249 522 T C 1.180 175.898 174.700 0.030 0.000 1.079 522 T CA 0.794 62.897 62.100 0.005 0.000 1.013 522 T CB 0.193 69.066 68.868 0.007 0.000 0.975 522 T HN 0.413 nan 8.240 nan 0.000 0.518 523 G N 0.189 109.016 108.800 0.045 0.000 2.234 523 G HA2 -0.283 3.678 3.960 0.002 0.000 0.235 523 G HA3 -0.283 3.678 3.960 0.002 0.000 0.235 523 G C 1.099 176.065 174.900 0.110 0.000 0.997 523 G CA 0.432 45.577 45.100 0.074 0.000 0.623 523 G HN 0.440 nan 8.290 nan 0.000 0.514 524 V N 0.668 120.653 119.914 0.117 0.000 2.407 524 V HA -0.041 4.080 4.120 0.002 0.000 0.248 524 V C 2.200 178.460 176.094 0.277 0.000 1.055 524 V CA 2.515 64.921 62.300 0.178 0.000 1.049 524 V CB -0.651 31.280 31.823 0.181 0.000 0.662 524 V HN 0.492 nan 8.190 nan 0.000 0.455 525 F N 1.882 121.863 119.950 0.053 0.000 2.075 525 F HA -0.059 4.469 4.527 0.002 0.000 0.297 525 F C 2.272 178.168 175.800 0.160 0.000 1.113 525 F CA 1.826 59.822 58.000 -0.005 0.000 1.218 525 F CB -0.956 37.863 39.000 -0.302 0.000 0.984 525 F HN 0.157 nan 8.300 nan 0.000 0.472 526 G N 0.138 109.066 108.800 0.213 0.000 2.513 526 G HA2 -0.329 3.633 3.960 0.002 0.000 0.219 526 G HA3 -0.329 3.633 3.960 0.002 0.000 0.219 526 G C 1.421 176.360 174.900 0.065 0.000 1.160 526 G CA 1.311 46.489 45.100 0.131 0.000 0.767 526 G HN 0.392 nan 8.290 nan 0.000 0.571 527 D N 0.475 120.928 120.400 0.087 0.000 2.078 527 D HA -0.054 4.587 4.640 0.002 0.000 0.193 527 D C 2.633 178.967 176.300 0.056 0.000 0.990 527 D CA 0.725 54.768 54.000 0.070 0.000 0.827 527 D CB -0.304 40.544 40.800 0.079 0.000 0.975 527 D HN 0.296 nan 8.370 nan 0.000 0.451 528 L N 0.317 121.599 121.223 0.098 0.000 2.313 528 L HA -0.029 4.312 4.340 0.002 0.000 0.214 528 L C 1.478 178.363 176.870 0.024 0.000 1.119 528 L CA 0.360 55.226 54.840 0.043 0.000 0.809 528 L CB -0.245 41.817 42.059 0.005 0.000 0.933 528 L HN -0.082 nan 8.230 nan 0.000 0.449 529 N N -0.097 118.622 118.700 0.031 0.000 2.362 529 N HA -0.006 4.736 4.740 0.002 0.000 0.204 529 N C 0.041 175.589 175.510 0.063 0.000 1.166 529 N CA -0.060 52.987 53.050 -0.005 0.000 0.831 529 N CB 0.267 38.481 38.487 -0.455 0.000 1.008 529 N HN -0.037 nan 8.380 nan 0.000 0.472 530 V N 0.226 120.178 119.914 0.064 0.000 2.811 530 V HA 0.029 4.150 4.120 0.002 0.000 0.302 530 V C 0.680 176.877 176.094 0.173 0.000 1.063 530 V CA -0.083 62.281 62.300 0.106 0.000 1.088 530 V CB 0.974 32.828 31.823 0.053 0.000 0.982 530 V HN 0.448 nan 8.190 nan 0.000 0.485 531 W N 6.675 127.978 121.300 0.005 0.000 2.780 531 W HA 0.233 4.895 4.660 0.003 0.000 0.272 531 W C 0.572 177.087 176.519 -0.007 0.000 1.116 531 W CA 0.376 57.717 57.345 -0.006 0.000 1.600 531 W CB 0.357 29.820 29.460 0.005 0.000 1.086 531 W HN 0.655 nan 8.180 nan 0.000 0.584 532 R N 1.841 122.423 120.500 0.136 0.000 2.625 532 R HA 0.384 4.725 4.340 0.002 0.000 0.286 532 R C -2.586 173.745 176.300 0.051 0.000 1.406 532 R CA -1.113 54.996 56.100 0.015 0.000 1.052 532 R CB 0.600 30.927 30.300 0.045 0.000 1.203 532 R HN -0.169 nan 8.270 nan 0.000 0.502 533 P HA 0.000 nan 4.420 nan 0.000 0.216 533 P CA 0.000 63.116 63.100 0.026 0.000 0.800 533 P CB 0.000 31.709 31.700 0.016 0.000 0.726