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 1f34_1_A DATA FIRST_RESID 1 DATA SEQUENCE IGDEPLENYL DTEYFGTIGI GTPAQDFTVI FDTGSSNLWV PSVYcSSLAc DATA SEQUENCE SDHNQFNPDD SSTFEATXQE LSITYGTGSM TGILGYDTVQ VGGISDTNQI DATA SEQUENCE FGLSETEPGS FLYYAPFDGI LGLAYPSISA SGATPVFDNL WDQGLVSQDL DATA SEQUENCE FSVYLSSNDD SGSVVLLGGI DSSYYTGSLN WVPVSVEGYW QITLDSITMD DATA SEQUENCE GETIAcSGGc QAIVDTGTSL LTGPTSAIAN IQSDIGASEN SDGEMVIScS DATA SEQUENCE SIDSLPDIVF TINGVQYPLS PSAYILQDDD ScTSGFEGMD VPTSSGELWI DATA SEQUENCE LGDVFIRQYY TVFDRANNKV GLAPVA 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 1 I HA 0.000 nan 4.170 nan 0.000 0.288 1 I C 0.000 176.163 176.117 0.077 0.000 1.063 1 I CA 0.000 61.342 61.300 0.070 0.000 1.566 1 I CB 0.000 38.037 38.000 0.062 0.000 1.214 2 G N 1.753 110.595 108.800 0.070 0.000 2.137 2 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.237 2 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.237 2 G C -0.491 174.448 174.900 0.066 0.000 1.002 2 G CA 0.428 45.576 45.100 0.080 0.000 0.702 2 G HN 1.285 nan 8.290 nan 0.000 0.515 3 D N -0.500 119.924 120.400 0.041 0.000 2.272 3 D HA 0.623 5.262 4.640 -0.001 0.000 0.247 3 D C -0.244 176.029 176.300 -0.045 0.000 0.990 3 D CA -0.799 53.200 54.000 -0.001 0.000 0.931 3 D CB 2.008 42.816 40.800 0.014 0.000 1.195 3 D HN 0.164 nan 8.370 nan 0.000 0.477 4 E N 1.043 121.160 120.200 -0.138 0.000 2.186 4 E HA 0.385 4.735 4.350 -0.001 0.000 0.255 4 E C -2.751 173.708 176.600 -0.235 0.000 0.881 4 E CA -2.288 53.979 56.400 -0.221 0.000 0.752 4 E CB 1.565 30.984 29.700 -0.468 0.000 1.176 4 E HN 0.082 nan 8.360 nan 0.000 0.421 5 P HA 0.121 nan 4.420 nan 0.000 0.268 5 P C -0.901 176.320 177.300 -0.131 0.000 1.205 5 P CA 0.139 63.189 63.100 -0.084 0.000 0.771 5 P CB 0.550 32.235 31.700 -0.024 0.000 0.858 6 L N 1.578 122.727 121.223 -0.123 0.000 2.386 6 L HA 0.471 4.811 4.340 -0.001 0.000 0.271 6 L C 0.543 177.306 176.870 -0.178 0.000 0.993 6 L CA -0.842 53.906 54.840 -0.153 0.000 0.819 6 L CB 2.039 44.019 42.059 -0.132 0.000 1.294 6 L HN 0.337 nan 8.230 nan 0.000 0.414 7 E N 2.275 122.244 120.200 -0.385 0.000 2.319 7 E HA 0.144 4.493 4.350 -0.001 0.000 0.268 7 E C -0.895 175.348 176.600 -0.595 0.000 1.050 7 E CA -0.573 55.545 56.400 -0.469 0.000 0.878 7 E CB 1.196 30.527 29.700 -0.614 0.000 1.066 7 E HN 0.474 nan 8.360 nan 0.000 0.406 8 N N 3.410 121.860 118.700 -0.417 0.000 2.518 8 N HA 0.058 4.798 4.740 -0.001 0.000 0.254 8 N C -1.953 173.372 175.510 -0.308 0.000 0.979 8 N CA -0.315 52.413 53.050 -0.536 0.000 0.930 8 N CB 0.520 38.802 38.487 -0.342 0.000 1.152 8 N HN 0.445 nan 8.380 nan 0.000 0.505 9 Y N 5.961 126.033 120.300 -0.380 0.000 2.518 9 Y HA 0.299 4.848 4.550 -0.001 0.000 0.344 9 Y C 0.809 176.645 175.900 -0.106 0.000 0.982 9 Y CA -0.477 57.562 58.100 -0.101 0.000 1.234 9 Y CB -0.024 38.538 38.460 0.170 0.000 1.114 9 Y HN 0.518 nan 8.280 nan 0.000 0.515 10 L N 5.836 126.769 121.223 -0.484 0.000 3.678 10 L HA -0.394 3.945 4.340 -0.001 0.000 0.425 10 L C 0.047 176.783 176.870 -0.223 0.000 1.240 10 L CA 0.820 55.424 54.840 -0.393 0.000 0.876 10 L CB -1.334 40.394 42.059 -0.553 0.000 1.766 10 L HN 0.674 nan 8.230 nan 0.000 0.917 11 D N -1.673 118.588 120.400 -0.231 0.000 2.931 11 D HA -0.217 4.423 4.640 -0.001 0.000 0.228 11 D C 1.192 177.465 176.300 -0.044 0.000 1.180 11 D CA 1.703 55.618 54.000 -0.141 0.000 0.784 11 D CB -0.721 40.066 40.800 -0.022 0.000 1.093 11 D HN 0.654 nan 8.370 nan 0.000 0.421 12 T N -1.312 113.194 114.554 -0.081 0.000 2.964 12 T HA 0.141 4.490 4.350 -0.001 0.000 0.249 12 T C 0.376 175.166 174.700 0.150 0.000 1.000 12 T CA 0.152 62.300 62.100 0.080 0.000 0.992 12 T CB 1.187 70.126 68.868 0.120 0.000 1.087 12 T HN 0.093 nan 8.240 nan 0.000 0.489 13 E N 0.184 120.408 120.200 0.041 0.000 2.321 13 E HA 0.486 4.836 4.350 -0.001 0.000 0.278 13 E C -1.956 174.572 176.600 -0.119 0.000 0.902 13 E CA -0.677 55.810 56.400 0.145 0.000 0.758 13 E CB 1.975 31.894 29.700 0.365 0.000 1.213 13 E HN 0.176 nan 8.360 nan 0.000 0.426 14 Y N 2.205 122.507 120.300 0.004 0.000 2.331 14 Y HA 0.529 5.079 4.550 -0.001 0.000 0.334 14 Y C -0.759 175.099 175.900 -0.070 0.000 0.960 14 Y CA -1.081 56.921 58.100 -0.163 0.000 1.130 14 Y CB 0.798 39.167 38.460 -0.152 0.000 1.164 14 Y HN 0.402 nan 8.280 nan 0.000 0.458 15 F N -0.182 119.823 119.950 0.091 0.000 2.599 15 F HA 1.030 5.556 4.527 -0.001 0.000 0.311 15 F C -0.133 175.740 175.800 0.122 0.000 1.076 15 F CA -1.562 56.499 58.000 0.102 0.000 0.937 15 F CB 1.423 40.450 39.000 0.046 0.000 1.282 15 F HN 0.554 nan 8.300 nan 0.000 0.460 16 G N -0.211 108.840 108.800 0.418 0.000 2.816 16 G HA2 0.610 4.570 3.960 -0.001 0.000 0.288 16 G HA3 0.610 4.570 3.960 -0.001 0.000 0.288 16 G C -1.661 173.453 174.900 0.357 0.000 1.334 16 G CA -1.067 44.183 45.100 0.251 0.000 0.978 16 G HN 0.729 nan 8.290 nan 0.000 0.493 17 T N 0.581 115.274 114.554 0.232 0.000 2.867 17 T HA 0.603 4.952 4.350 -0.001 0.000 0.282 17 T C 0.132 174.952 174.700 0.199 0.000 1.000 17 T CA -0.087 62.134 62.100 0.202 0.000 1.042 17 T CB 1.041 69.986 68.868 0.129 0.000 0.973 17 T HN 0.681 nan 8.240 nan 0.000 0.465 18 I N -1.284 119.394 120.570 0.180 0.000 2.969 18 I HA 0.943 5.112 4.170 -0.001 0.000 0.307 18 I C -0.287 175.917 176.117 0.145 0.000 1.149 18 I CA -1.354 60.036 61.300 0.150 0.000 1.008 18 I CB 2.290 40.356 38.000 0.110 0.000 1.232 18 I HN 0.710 nan 8.210 nan 0.000 0.435 19 G N 3.826 112.694 108.800 0.114 0.000 2.452 19 G HA2 0.784 4.743 3.960 -0.001 0.000 0.324 19 G HA3 0.784 4.743 3.960 -0.001 0.000 0.324 19 G C -1.184 173.787 174.900 0.119 0.000 1.214 19 G CA -0.772 44.404 45.100 0.126 0.000 0.947 19 G HN 0.621 nan 8.290 nan 0.000 0.478 20 I N 0.963 121.654 120.570 0.202 0.000 2.619 20 I HA 0.665 4.834 4.170 -0.001 0.000 0.292 20 I C 0.537 176.853 176.117 0.332 0.000 1.100 20 I CA -0.344 61.029 61.300 0.122 0.000 1.043 20 I CB 2.087 39.995 38.000 -0.154 0.000 1.239 20 I HN 1.079 nan 8.210 nan 0.000 0.420 21 G N 3.721 112.694 108.800 0.288 0.000 2.756 21 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.678 21 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.678 21 G C -0.666 174.365 174.900 0.218 0.000 1.349 21 G CA -0.845 44.472 45.100 0.363 0.000 0.847 21 G HN 0.589 nan 8.290 nan 0.000 0.548 22 T N 3.724 118.391 114.554 0.189 0.000 2.833 22 T HA 0.665 5.014 4.350 -0.001 0.000 0.297 22 T C -1.840 172.918 174.700 0.096 0.000 1.015 22 T CA -0.397 61.778 62.100 0.124 0.000 0.963 22 T CB 2.298 71.233 68.868 0.112 0.000 0.955 22 T HN 0.694 nan 8.240 nan 0.000 0.449 23 P HA 0.425 nan 4.420 nan 0.000 0.275 23 P C -0.589 176.763 177.300 0.087 0.000 1.266 23 P CA -0.619 62.520 63.100 0.065 0.000 0.793 23 P CB 0.642 32.365 31.700 0.039 0.000 1.074 24 A N 0.928 123.796 122.820 0.080 0.000 2.477 24 A HA 0.140 4.459 4.320 -0.001 0.000 0.246 24 A C 0.236 177.869 177.584 0.081 0.000 1.078 24 A CA -0.026 52.072 52.037 0.101 0.000 0.770 24 A CB -0.513 18.535 19.000 0.079 0.000 1.011 24 A HN 0.500 nan 8.150 nan 0.000 0.494 25 Q N 1.521 121.414 119.800 0.154 0.000 2.307 25 Q HA 0.306 4.645 4.340 -0.001 0.000 0.262 25 Q C -1.170 174.794 176.000 -0.059 0.000 0.961 25 Q CA -0.724 55.111 55.803 0.052 0.000 0.882 25 Q CB 1.635 30.529 28.738 0.259 0.000 1.264 25 Q HN 0.706 nan 8.270 nan 0.000 0.446 26 D N 1.923 122.129 120.400 -0.324 0.000 2.253 26 D HA 0.500 5.139 4.640 -0.001 0.000 0.249 26 D C -0.751 175.094 176.300 -0.759 0.000 1.049 26 D CA 0.191 54.014 54.000 -0.295 0.000 0.929 26 D CB 0.928 41.642 40.800 -0.143 0.000 1.176 26 D HN 0.245 nan 8.370 nan 0.000 0.437 27 F N -0.743 119.227 119.950 0.033 0.000 2.631 27 F HA 0.276 4.803 4.527 -0.000 0.000 0.308 27 F C 0.235 176.054 175.800 0.033 0.000 1.097 27 F CA -1.012 57.001 58.000 0.023 0.000 0.952 27 F CB 1.762 40.765 39.000 0.005 0.000 1.307 27 F HN 0.019 nan 8.300 nan 0.000 0.450 28 T N 0.151 114.823 114.554 0.196 0.000 2.795 28 T HA 0.770 5.119 4.350 -0.001 0.000 0.282 28 T C -0.767 174.019 174.700 0.144 0.000 0.980 28 T CA -0.704 61.503 62.100 0.179 0.000 1.012 28 T CB 1.182 70.102 68.868 0.085 0.000 0.936 28 T HN 0.810 nan 8.240 nan 0.000 0.457 29 V N 0.676 120.676 119.914 0.143 0.000 2.841 29 V HA 0.635 4.754 4.120 -0.001 0.000 0.310 29 V C -0.254 175.827 176.094 -0.023 0.000 1.090 29 V CA -1.471 60.803 62.300 -0.043 0.000 0.930 29 V CB 1.431 33.098 31.823 -0.259 0.000 1.014 29 V HN 0.992 nan 8.190 nan 0.000 0.425 30 I N 3.156 123.588 120.570 -0.230 0.000 2.556 30 I HA 0.197 4.367 4.170 -0.001 0.000 0.284 30 I C -0.483 175.529 176.117 -0.174 0.000 1.114 30 I CA 0.311 61.493 61.300 -0.195 0.000 1.418 30 I CB 0.581 38.312 38.000 -0.448 0.000 1.394 30 I HN 0.563 nan 8.210 nan 0.000 0.552 31 F N 4.702 124.564 119.950 -0.146 0.000 2.406 31 F HA 0.132 4.658 4.527 -0.001 0.000 0.358 31 F C 0.428 176.110 175.800 -0.197 0.000 1.161 31 F CA -0.541 57.347 58.000 -0.187 0.000 1.185 31 F CB -0.032 38.844 39.000 -0.207 0.000 1.421 31 F HN 0.346 nan 8.300 nan 0.000 0.576 32 D N 1.812 122.138 120.400 -0.123 0.000 2.428 32 D HA 0.063 4.702 4.640 -0.001 0.000 0.221 32 D C 1.181 177.464 176.300 -0.029 0.000 1.123 32 D CA -0.157 53.800 54.000 -0.072 0.000 0.869 32 D CB 0.841 41.595 40.800 -0.076 0.000 1.032 32 D HN 0.484 nan 8.370 nan 0.000 0.506 33 T N 0.026 114.557 114.554 -0.039 0.000 3.215 33 T HA 0.115 4.465 4.350 -0.001 0.000 0.254 33 T C 1.548 176.410 174.700 0.271 0.000 1.149 33 T CA 0.164 62.288 62.100 0.039 0.000 1.042 33 T CB 0.122 68.838 68.868 -0.252 0.000 0.966 33 T HN 0.294 nan 8.240 nan 0.000 0.534 34 G N 0.766 109.694 108.800 0.212 0.000 3.088 34 G HA2 0.412 4.371 3.960 -0.001 0.000 0.217 34 G HA3 0.412 4.371 3.960 -0.001 0.000 0.217 34 G C 0.399 175.533 174.900 0.390 0.000 1.159 34 G CA 0.188 45.468 45.100 0.299 0.000 0.760 34 G HN 0.792 nan 8.290 nan 0.000 0.550 35 S N -2.117 113.764 115.700 0.302 0.000 2.688 35 S HA 0.614 5.084 4.470 -0.001 0.000 0.275 35 S C 0.041 174.761 174.600 0.199 0.000 1.175 35 S CA -0.050 58.323 58.200 0.289 0.000 0.818 35 S CB 1.631 65.088 63.200 0.428 0.000 1.157 35 S HN -0.086 nan 8.310 nan 0.000 0.482 36 S N 0.114 115.914 115.700 0.166 0.000 2.666 36 S HA 0.374 4.843 4.470 -0.001 0.000 0.239 36 S C -0.213 174.451 174.600 0.107 0.000 1.031 36 S CA -0.363 57.908 58.200 0.118 0.000 1.015 36 S CB -0.288 62.967 63.200 0.091 0.000 0.981 36 S HN 0.683 nan 8.310 nan 0.000 0.547 37 N N 1.409 120.202 118.700 0.155 0.000 2.489 37 N HA 0.596 5.335 4.740 -0.001 0.000 0.284 37 N C -1.111 174.491 175.510 0.153 0.000 1.158 37 N CA -0.599 52.551 53.050 0.166 0.000 0.965 37 N CB 0.967 39.589 38.487 0.224 0.000 1.195 37 N HN 0.071 nan 8.380 nan 0.000 0.506 38 L N 2.665 123.968 121.223 0.133 0.000 2.313 38 L HA 0.686 5.026 4.340 -0.001 0.000 0.283 38 L C -1.548 175.461 176.870 0.231 0.000 1.013 38 L CA -0.566 54.307 54.840 0.055 0.000 0.816 38 L CB 0.311 42.367 42.059 -0.004 0.000 1.236 38 L HN 0.644 nan 8.230 nan 0.000 0.419 39 W N 5.691 127.008 121.300 0.028 0.000 3.213 39 W HA 0.730 5.390 4.660 -0.001 0.000 0.318 39 W C -1.997 174.515 176.519 -0.012 0.000 1.248 39 W CA -0.880 56.498 57.345 0.055 0.000 1.187 39 W CB 0.841 30.336 29.460 0.057 0.000 1.403 39 W HN 0.653 nan 8.180 nan 0.000 0.556 40 V N -1.559 118.545 119.914 0.316 0.000 3.114 40 V HA 0.687 4.807 4.120 -0.001 0.000 0.308 40 V C -2.930 173.308 176.094 0.240 0.000 1.168 40 V CA -2.895 59.421 62.300 0.026 0.000 1.015 40 V CB 1.800 33.261 31.823 -0.602 0.000 1.050 40 V HN 0.326 nan 8.190 nan 0.000 0.433 41 P HA 0.346 nan 4.420 nan 0.000 0.269 41 P C -0.470 176.970 177.300 0.234 0.000 1.215 41 P CA 0.391 63.650 63.100 0.265 0.000 0.780 41 P CB 0.664 32.522 31.700 0.263 0.000 0.898 42 S N -0.233 115.594 115.700 0.212 0.000 2.661 42 S HA 0.308 4.778 4.470 -0.001 0.000 0.285 42 S C 0.851 175.496 174.600 0.074 0.000 1.138 42 S CA -0.398 57.920 58.200 0.197 0.000 0.855 42 S CB 0.875 64.223 63.200 0.246 0.000 1.136 42 S HN 0.239 nan 8.310 nan 0.000 0.484 43 V N -0.771 119.093 119.914 -0.083 0.000 3.241 43 V HA 0.055 4.174 4.120 -0.001 0.000 0.269 43 V C 1.197 177.146 176.094 -0.242 0.000 1.151 43 V CA 1.088 63.268 62.300 -0.199 0.000 1.158 43 V CB -1.749 29.874 31.823 -0.333 0.000 0.764 43 V HN 0.822 nan 8.190 nan 0.000 0.508 44 Y N 0.033 120.354 120.300 0.036 0.000 2.511 44 Y HA 0.375 4.924 4.550 -0.001 0.000 0.279 44 Y C 1.773 177.684 175.900 0.018 0.000 1.157 44 Y CA -0.867 57.245 58.100 0.021 0.000 1.300 44 Y CB -0.594 37.876 38.460 0.016 0.000 1.052 44 Y HN 0.420 nan 8.280 nan 0.000 0.529 45 c N 1.184 119.864 118.600 0.134 0.000 2.536 45 c HA 0.371 4.940 4.570 -0.001 0.000 0.396 45 c C 1.627 175.754 174.090 0.061 0.000 1.279 45 c CA 0.456 56.840 56.329 0.092 0.000 2.148 45 c CB -0.194 42.371 42.510 0.092 0.000 2.584 45 c HN 0.530 nan 8.230 nan 0.000 0.579 46 S N 2.887 118.612 115.700 0.041 0.000 2.603 46 S HA 0.214 4.683 4.470 -0.001 0.000 0.232 46 S C 0.328 174.933 174.600 0.008 0.000 1.016 46 S CA -0.266 57.948 58.200 0.023 0.000 0.976 46 S CB -0.105 63.106 63.200 0.018 0.000 0.921 46 S HN 0.702 nan 8.310 nan 0.000 0.516 47 S N 1.985 117.691 115.700 0.010 0.000 2.617 47 S HA 0.394 4.864 4.470 -0.001 0.000 0.269 47 S C 1.113 175.710 174.600 -0.004 0.000 1.292 47 S CA -0.574 57.624 58.200 -0.004 0.000 1.010 47 S CB 1.179 64.378 63.200 -0.002 0.000 0.944 47 S HN 0.369 nan 8.310 nan 0.000 0.536 48 L N 2.870 124.068 121.223 -0.042 0.000 1.971 48 L HA -0.165 4.174 4.340 -0.001 0.000 0.215 48 L C 2.308 179.206 176.870 0.047 0.000 1.072 48 L CA 2.588 57.372 54.840 -0.092 0.000 0.758 48 L CB -1.304 40.608 42.059 -0.244 0.000 0.889 48 L HN 0.811 nan 8.230 nan 0.000 0.433 49 A N -1.540 121.330 122.820 0.083 0.000 2.084 49 A HA -0.260 4.059 4.320 -0.001 0.000 0.221 49 A C 2.277 179.952 177.584 0.152 0.000 1.161 49 A CA 1.907 54.028 52.037 0.140 0.000 0.653 49 A CB -1.544 17.430 19.000 -0.042 0.000 0.802 49 A HN 0.703 nan 8.150 nan 0.000 0.457 50 c N -0.224 118.445 118.600 0.115 0.000 2.514 50 c HA 0.046 4.615 4.570 -0.001 0.000 0.271 50 c C 3.086 177.259 174.090 0.138 0.000 1.399 50 c CA 0.787 57.194 56.329 0.130 0.000 1.765 50 c CB -1.146 41.421 42.510 0.095 0.000 1.893 50 c HN 0.820 nan 8.230 nan 0.000 0.531 51 S N 1.109 116.891 115.700 0.137 0.000 2.489 51 S HA -0.097 4.373 4.470 -0.001 0.000 0.228 51 S C 0.805 175.476 174.600 0.118 0.000 0.995 51 S CA 1.404 59.669 58.200 0.108 0.000 0.934 51 S CB -0.293 62.959 63.200 0.088 0.000 0.771 51 S HN 0.776 nan 8.310 nan 0.000 0.522 52 D N -0.420 120.080 120.400 0.167 0.000 2.740 52 D HA 0.255 4.895 4.640 -0.001 0.000 0.301 52 D C -0.513 175.672 176.300 -0.192 0.000 1.408 52 D CA -0.395 53.606 54.000 0.002 0.000 0.808 52 D CB -0.462 40.286 40.800 -0.086 0.000 1.128 52 D HN 0.388 nan 8.370 nan 0.000 0.465 53 H N -0.765 118.283 119.070 -0.037 0.000 2.977 53 H HA 0.403 4.958 4.556 -0.001 0.000 0.350 53 H C -0.048 175.296 175.328 0.027 0.000 1.238 53 H CA -0.764 55.261 56.048 -0.038 0.000 1.124 53 H CB 1.018 30.758 29.762 -0.037 0.000 1.866 53 H HN -0.130 nan 8.280 nan 0.000 0.550 54 N N 1.795 120.583 118.700 0.147 0.000 2.458 54 N HA 0.043 4.783 4.740 -0.001 0.000 0.258 54 N C -0.767 175.004 175.510 0.434 0.000 1.219 54 N CA 0.298 53.424 53.050 0.127 0.000 0.902 54 N CB 0.603 38.990 38.487 -0.166 0.000 1.076 54 N HN 0.464 nan 8.380 nan 0.000 0.455 55 Q N 1.246 121.268 119.800 0.370 0.000 2.330 55 Q HA 0.304 4.643 4.340 -0.001 0.000 0.269 55 Q C -0.848 175.444 176.000 0.488 0.000 1.022 55 Q CA -0.719 55.330 55.803 0.410 0.000 0.796 55 Q CB 1.920 30.766 28.738 0.179 0.000 1.271 55 Q HN 0.472 nan 8.270 nan 0.000 0.450 56 F N 3.092 123.265 119.950 0.371 0.000 2.467 56 F HA 0.170 4.697 4.527 -0.001 0.000 0.362 56 F C -0.061 175.784 175.800 0.075 0.000 1.090 56 F CA -0.081 58.105 58.000 0.311 0.000 1.202 56 F CB 0.565 39.627 39.000 0.105 0.000 1.113 56 F HN 0.437 nan 8.300 nan 0.000 0.541 57 N N 8.524 126.773 118.700 -0.752 0.000 2.558 57 N HA 0.278 5.018 4.740 -0.001 0.000 0.242 57 N C -1.943 172.972 175.510 -0.992 0.000 0.979 57 N CA -2.363 50.295 53.050 -0.654 0.000 0.931 57 N CB 1.644 39.908 38.487 -0.371 0.000 1.122 57 N HN 0.306 nan 8.380 nan 0.000 0.508 58 P HA -0.121 nan 4.420 nan 0.000 0.217 58 P C 0.247 177.369 177.300 -0.296 0.000 1.148 58 P CA 1.159 63.836 63.100 -0.704 0.000 0.828 58 P CB 0.527 31.779 31.700 -0.747 0.000 0.783 59 D N -0.142 120.127 120.400 -0.218 0.000 2.378 59 D HA -0.081 4.559 4.640 -0.001 0.000 0.222 59 D C 0.722 176.968 176.300 -0.090 0.000 0.980 59 D CA 0.860 54.806 54.000 -0.090 0.000 0.907 59 D CB -0.344 40.413 40.800 -0.071 0.000 0.899 59 D HN 0.217 nan 8.370 nan 0.000 0.527 60 D N -0.239 120.059 120.400 -0.169 0.000 2.358 60 D HA 0.033 4.673 4.640 -0.001 0.000 0.224 60 D C -0.148 176.120 176.300 -0.052 0.000 1.123 60 D CA 0.207 54.139 54.000 -0.114 0.000 0.833 60 D CB 0.398 41.104 40.800 -0.156 0.000 0.946 60 D HN -0.122 nan 8.370 nan 0.000 0.505 61 S N -0.209 115.492 115.700 0.002 0.000 2.707 61 S HA 0.204 4.673 4.470 -0.001 0.000 0.303 61 S C 1.089 175.794 174.600 0.174 0.000 1.132 61 S CA -0.588 57.688 58.200 0.127 0.000 1.046 61 S CB 1.141 64.502 63.200 0.268 0.000 1.004 61 S HN 0.034 nan 8.310 nan 0.000 0.483 62 S N 2.847 118.630 115.700 0.138 0.000 2.555 62 S HA -0.061 4.408 4.470 -0.001 0.000 0.230 62 S C 1.271 175.963 174.600 0.152 0.000 0.978 62 S CA 1.145 59.420 58.200 0.125 0.000 0.934 62 S CB -0.585 62.666 63.200 0.087 0.000 0.766 62 S HN 0.847 nan 8.310 nan 0.000 0.533 63 T N -2.418 112.258 114.554 0.205 0.000 3.010 63 T HA 0.346 4.695 4.350 -0.001 0.000 0.257 63 T C 0.147 175.009 174.700 0.270 0.000 1.020 63 T CA -0.651 61.569 62.100 0.199 0.000 0.938 63 T CB -0.524 68.448 68.868 0.173 0.000 1.049 63 T HN 0.292 nan 8.240 nan 0.000 0.522 64 F N 2.989 123.076 119.950 0.228 0.000 2.545 64 F HA 0.380 4.907 4.527 -0.001 0.000 0.348 64 F C 0.162 176.094 175.800 0.220 0.000 1.163 64 F CA -0.230 57.947 58.000 0.295 0.000 1.331 64 F CB 0.478 39.713 39.000 0.392 0.000 1.138 64 F HN 0.093 nan 8.300 nan 0.000 0.602 65 E N 4.050 123.756 120.200 -0.824 0.000 2.265 65 E HA 0.516 4.865 4.350 -0.001 0.000 0.262 65 E C -0.966 175.120 176.600 -0.857 0.000 0.889 65 E CA -0.989 55.090 56.400 -0.534 0.000 0.789 65 E CB 1.549 31.106 29.700 -0.239 0.000 1.221 65 E HN 0.759 nan 8.360 nan 0.000 0.414 66 A N 2.359 124.960 122.820 -0.365 0.000 2.272 66 A HA 0.750 5.070 4.320 -0.001 0.000 0.275 66 A C 0.347 177.919 177.584 -0.019 0.000 1.096 66 A CA -0.012 51.993 52.037 -0.053 0.000 0.822 66 A CB 0.783 19.938 19.000 0.258 0.000 1.088 66 A HN 0.640 nan 8.150 nan 0.000 0.495 70 E N 2.930 123.087 120.200 -0.071 0.000 2.227 70 E HA 0.766 5.116 4.350 -0.001 0.000 0.268 70 E C -0.651 175.899 176.600 -0.084 0.000 0.990 70 E CA -0.743 55.607 56.400 -0.083 0.000 0.856 70 E CB 1.984 31.636 29.700 -0.080 0.000 1.159 70 E HN 0.488 nan 8.360 nan 0.000 0.401 71 L N -1.900 119.264 121.223 -0.098 0.000 2.469 71 L HA 0.787 5.126 4.340 -0.001 0.000 0.256 71 L C -1.065 175.731 176.870 -0.124 0.000 1.006 71 L CA -0.796 53.982 54.840 -0.102 0.000 0.832 71 L CB 2.328 44.327 42.059 -0.100 0.000 1.421 71 L HN 0.444 nan 8.230 nan 0.000 0.410 72 S N 1.381 117.006 115.700 -0.125 0.000 2.594 72 S HA 0.784 5.254 4.470 -0.001 0.000 0.296 72 S C -0.992 173.510 174.600 -0.164 0.000 1.124 72 S CA -0.537 57.578 58.200 -0.143 0.000 1.011 72 S CB 1.100 64.234 63.200 -0.110 0.000 1.016 72 S HN 0.592 nan 8.310 nan 0.000 0.485 73 I N 3.601 124.042 120.570 -0.215 0.000 2.509 73 I HA 0.469 4.639 4.170 -0.001 0.000 0.293 73 I C -0.075 175.851 176.117 -0.319 0.000 1.020 73 I CA -0.671 60.452 61.300 -0.295 0.000 1.088 73 I CB 2.421 40.197 38.000 -0.373 0.000 1.267 73 I HN 0.669 nan 8.210 nan 0.000 0.430 74 T N 2.959 117.307 114.554 -0.342 0.000 2.848 74 T HA 0.633 4.982 4.350 -0.001 0.000 0.285 74 T C -0.951 173.585 174.700 -0.273 0.000 0.995 74 T CA -0.412 61.561 62.100 -0.212 0.000 0.970 74 T CB 0.997 69.814 68.868 -0.085 0.000 0.976 74 T HN 0.341 nan 8.240 nan 0.000 0.441 75 Y N 1.334 121.674 120.300 0.066 0.000 2.618 75 Y HA 0.622 5.171 4.550 -0.001 0.000 0.326 75 Y C 1.917 177.853 175.900 0.060 0.000 1.168 75 Y CA -0.551 57.603 58.100 0.090 0.000 1.269 75 Y CB 0.783 39.321 38.460 0.129 0.000 1.388 75 Y HN 0.748 nan 8.280 nan 0.000 0.528 76 G N -0.845 108.103 108.800 0.247 0.000 2.448 76 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.219 76 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.219 76 G C 1.146 176.094 174.900 0.080 0.000 1.127 76 G CA 1.529 46.701 45.100 0.120 0.000 0.766 76 G HN 0.680 nan 8.290 nan 0.000 0.552 77 T N -3.694 110.917 114.554 0.094 0.000 3.010 77 T HA 0.541 4.890 4.350 -0.001 0.000 0.257 77 T C 0.792 175.525 174.700 0.055 0.000 1.020 77 T CA 0.725 62.827 62.100 0.004 0.000 0.938 77 T CB 1.100 69.887 68.868 -0.135 0.000 1.049 77 T HN 0.723 nan 8.240 nan 0.000 0.522 78 G N 0.642 109.545 108.800 0.171 0.000 2.430 78 G HA2 0.521 4.481 3.960 -0.001 0.000 0.300 78 G HA3 0.521 4.481 3.960 -0.001 0.000 0.300 78 G C -1.370 173.695 174.900 0.275 0.000 1.330 78 G CA -0.194 45.023 45.100 0.194 0.000 0.813 78 G HN 0.807 nan 8.290 nan 0.000 0.487 79 S N -1.814 114.000 115.700 0.190 0.000 2.685 79 S HA 0.899 5.369 4.470 -0.001 0.000 0.282 79 S C -0.625 173.986 174.600 0.018 0.000 1.159 79 S CA -0.076 58.190 58.200 0.110 0.000 0.833 79 S CB 2.191 65.397 63.200 0.011 0.000 1.151 79 S HN 2.198 nan 8.310 nan 0.000 0.485 80 M N -0.619 118.902 119.600 -0.131 0.000 2.682 80 M HA 0.771 5.250 4.480 -0.001 0.000 0.272 80 M C -1.109 175.014 176.300 -0.294 0.000 1.232 80 M CA -0.348 54.765 55.300 -0.311 0.000 0.849 80 M CB 1.232 33.369 32.600 -0.772 0.000 1.695 80 M HN 0.901 nan 8.290 nan 0.000 0.481 81 T N -1.265 113.126 114.554 -0.272 0.000 2.906 81 T HA 1.033 5.382 4.350 -0.001 0.000 0.295 81 T C -0.180 174.400 174.700 -0.200 0.000 1.061 81 T CA -0.096 61.883 62.100 -0.202 0.000 1.000 81 T CB 1.777 70.568 68.868 -0.128 0.000 1.103 81 T HN 1.661 nan 8.240 nan 0.000 0.486 82 G N 0.584 109.288 108.800 -0.160 0.000 2.489 82 G HA2 0.605 4.564 3.960 -0.001 0.000 0.305 82 G HA3 0.605 4.564 3.960 -0.001 0.000 0.305 82 G C -1.939 172.896 174.900 -0.109 0.000 1.311 82 G CA -1.021 44.006 45.100 -0.122 0.000 0.813 82 G HN 0.931 nan 8.290 nan 0.000 0.480 83 I N 0.509 121.020 120.570 -0.098 0.000 2.509 83 I HA 0.433 4.602 4.170 -0.001 0.000 0.293 83 I C -0.167 175.864 176.117 -0.144 0.000 1.020 83 I CA -0.759 60.477 61.300 -0.106 0.000 1.088 83 I CB 2.080 40.020 38.000 -0.100 0.000 1.267 83 I HN 0.191 nan 8.210 nan 0.000 0.430 84 L N 4.233 125.361 121.223 -0.159 0.000 2.418 84 L HA 0.760 5.099 4.340 -0.001 0.000 0.265 84 L C 0.593 177.301 176.870 -0.269 0.000 1.143 84 L CA -0.155 54.530 54.840 -0.257 0.000 0.809 84 L CB 1.174 43.095 42.059 -0.231 0.000 1.124 84 L HN 0.820 nan 8.230 nan 0.000 0.456 85 G N 0.493 109.006 108.800 -0.478 0.000 2.649 85 G HA2 0.561 4.520 3.960 -0.001 0.000 0.290 85 G HA3 0.561 4.520 3.960 -0.001 0.000 0.290 85 G C -2.251 172.347 174.900 -0.504 0.000 1.426 85 G CA -0.374 44.475 45.100 -0.418 0.000 0.794 85 G HN 0.274 nan 8.290 nan 0.000 0.483 86 Y N 0.029 120.104 120.300 -0.376 0.000 2.409 86 Y HA 0.713 5.262 4.550 -0.001 0.000 0.343 86 Y C 0.032 175.996 175.900 0.107 0.000 0.973 86 Y CA -0.494 57.574 58.100 -0.053 0.000 1.064 86 Y CB 2.812 41.205 38.460 -0.112 0.000 1.207 86 Y HN 0.557 nan 8.280 nan 0.000 0.452 87 D N -0.594 120.051 120.400 0.407 0.000 2.779 87 D HA 0.241 4.880 4.640 -0.001 0.000 0.331 87 D C -1.362 175.039 176.300 0.169 0.000 1.331 87 D CA -0.463 53.729 54.000 0.320 0.000 0.866 87 D CB 2.419 43.469 40.800 0.417 0.000 1.409 87 D HN 0.397 nan 8.370 nan 0.000 0.486 88 T N 0.571 115.204 114.554 0.131 0.000 2.806 88 T HA 0.514 4.863 4.350 -0.001 0.000 0.290 88 T C -0.293 174.421 174.700 0.023 0.000 0.966 88 T CA -0.334 61.813 62.100 0.078 0.000 1.060 88 T CB 1.008 69.930 68.868 0.090 0.000 0.927 88 T HN 0.092 nan 8.240 nan 0.000 0.485 89 V N 4.797 124.709 119.914 -0.003 0.000 2.448 89 V HA 0.335 4.454 4.120 -0.001 0.000 0.295 89 V C -0.372 175.733 176.094 0.017 0.000 1.025 89 V CA -0.947 61.332 62.300 -0.036 0.000 0.859 89 V CB 1.866 33.626 31.823 -0.104 0.000 0.988 89 V HN 0.699 nan 8.190 nan 0.000 0.431 90 Q N 3.540 123.362 119.800 0.036 0.000 2.349 90 Q HA 0.550 4.889 4.340 -0.001 0.000 0.254 90 Q C -0.632 175.415 176.000 0.079 0.000 0.980 90 Q CA 0.035 55.873 55.803 0.059 0.000 0.924 90 Q CB 1.781 30.557 28.738 0.063 0.000 1.209 90 Q HN 0.581 nan 8.270 nan 0.000 0.445 91 V N 0.589 120.558 119.914 0.091 0.000 2.851 91 V HA 0.635 4.754 4.120 -0.001 0.000 0.307 91 V C 0.496 176.658 176.094 0.113 0.000 1.129 91 V CA 0.345 62.727 62.300 0.137 0.000 0.932 91 V CB 1.883 33.818 31.823 0.187 0.000 1.024 91 V HN 0.912 nan 8.190 nan 0.000 0.426 92 G N 4.107 112.959 108.800 0.086 0.000 2.321 92 G HA2 0.035 3.995 3.960 -0.001 0.000 0.287 92 G HA3 0.035 3.995 3.960 -0.001 0.000 0.287 92 G C 1.476 176.411 174.900 0.059 0.000 1.018 92 G CA 1.109 46.238 45.100 0.048 0.000 0.855 92 G HN 2.738 nan 8.290 nan 0.000 0.507 93 G N -1.863 106.972 108.800 0.058 0.000 2.153 93 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.252 93 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.252 93 G C 0.300 175.235 174.900 0.058 0.000 0.994 93 G CA 0.693 45.826 45.100 0.054 0.000 0.698 93 G HN 1.394 nan 8.290 nan 0.000 0.521 94 I N -0.271 120.339 120.570 0.066 0.000 2.693 94 I HA 0.580 4.750 4.170 -0.001 0.000 0.303 94 I C 0.244 176.395 176.117 0.057 0.000 1.025 94 I CA -0.959 60.379 61.300 0.063 0.000 1.086 94 I CB 2.296 40.341 38.000 0.074 0.000 1.268 94 I HN 0.049 nan 8.210 nan 0.000 0.440 95 S N 2.716 118.445 115.700 0.048 0.000 2.505 95 S HA 0.160 4.629 4.470 -0.001 0.000 0.280 95 S C -0.619 174.005 174.600 0.040 0.000 1.197 95 S CA -0.585 57.642 58.200 0.044 0.000 1.138 95 S CB -0.196 63.029 63.200 0.041 0.000 1.010 95 S HN 0.553 nan 8.310 nan 0.000 0.480 96 D N 4.097 124.521 120.400 0.041 0.000 2.402 96 D HA 0.174 4.814 4.640 -0.001 0.000 0.235 96 D C 0.676 177.002 176.300 0.043 0.000 1.226 96 D CA 0.007 54.030 54.000 0.037 0.000 0.918 96 D CB 0.526 41.347 40.800 0.035 0.000 1.043 96 D HN 0.518 nan 8.370 nan 0.000 0.506 97 T N 1.187 115.768 114.554 0.046 0.000 2.899 97 T HA 0.279 4.628 4.350 -0.001 0.000 0.284 97 T C 0.517 175.264 174.700 0.078 0.000 1.004 97 T CA -0.763 61.372 62.100 0.059 0.000 1.043 97 T CB 0.416 69.310 68.868 0.043 0.000 1.013 97 T HN 0.499 nan 8.240 nan 0.000 0.518 98 N N -0.881 117.884 118.700 0.108 0.000 2.735 98 N HA -0.192 4.548 4.740 -0.001 0.000 0.248 98 N C -0.638 175.031 175.510 0.265 0.000 1.083 98 N CA 0.640 53.789 53.050 0.166 0.000 0.703 98 N CB -1.219 37.315 38.487 0.078 0.000 1.005 98 N HN 0.815 nan 8.380 nan 0.000 0.550 99 Q N 1.030 120.956 119.800 0.209 0.000 2.279 99 Q HA 0.520 4.859 4.340 -0.001 0.000 0.256 99 Q C -0.360 175.723 176.000 0.138 0.000 0.937 99 Q CA -0.454 55.440 55.803 0.152 0.000 0.933 99 Q CB 0.802 29.581 28.738 0.068 0.000 1.189 99 Q HN 0.463 nan 8.270 nan 0.000 0.417 100 I N 5.559 126.105 120.570 -0.040 0.000 2.519 100 I HA 0.468 4.638 4.170 -0.001 0.000 0.287 100 I C -0.923 175.198 176.117 0.006 0.000 1.047 100 I CA -0.432 60.648 61.300 -0.367 0.000 1.381 100 I CB 0.250 37.879 38.000 -0.619 0.000 1.417 100 I HN 0.761 nan 8.210 nan 0.000 0.540 101 F N 5.021 124.822 119.950 -0.247 0.000 2.741 101 F HA 0.781 5.307 4.527 -0.001 0.000 0.313 101 F C -0.608 175.144 175.800 -0.081 0.000 1.153 101 F CA -1.085 56.837 58.000 -0.130 0.000 0.931 101 F CB 0.637 39.552 39.000 -0.142 0.000 1.335 101 F HN 0.424 nan 8.300 nan 0.000 0.460 102 G N 1.427 110.216 108.800 -0.018 0.000 2.356 102 G HA2 0.596 4.556 3.960 -0.001 0.000 0.322 102 G HA3 0.596 4.556 3.960 -0.001 0.000 0.322 102 G C -1.923 172.947 174.900 -0.051 0.000 1.125 102 G CA -0.800 44.233 45.100 -0.112 0.000 0.885 102 G HN 0.571 nan 8.290 nan 0.000 0.467 103 L N 2.408 123.550 121.223 -0.135 0.000 2.262 103 L HA 0.330 4.669 4.340 -0.001 0.000 0.288 103 L C 1.095 178.008 176.870 0.072 0.000 1.035 103 L CA -0.491 54.371 54.840 0.038 0.000 0.820 103 L CB 1.218 43.329 42.059 0.086 0.000 1.204 103 L HN 0.628 nan 8.230 nan 0.000 0.424 104 S N 1.697 117.468 115.700 0.118 0.000 2.572 104 S HA 0.181 4.650 4.470 -0.001 0.000 0.279 104 S C 0.659 175.288 174.600 0.048 0.000 1.341 104 S CA -0.197 58.013 58.200 0.017 0.000 1.043 104 S CB 0.934 64.139 63.200 0.008 0.000 0.887 104 S HN 0.712 nan 8.310 nan 0.000 0.516 105 E N 0.802 120.994 120.200 -0.013 0.000 2.330 105 E HA 0.142 4.491 4.350 -0.001 0.000 0.200 105 E C 0.347 176.944 176.600 -0.005 0.000 0.922 105 E CA 0.665 57.076 56.400 0.018 0.000 0.935 105 E CB 0.733 30.424 29.700 -0.015 0.000 0.917 105 E HN 0.913 nan 8.360 nan 0.000 0.491 106 T N -0.633 113.887 114.554 -0.056 0.000 2.868 106 T HA 0.481 4.830 4.350 -0.001 0.000 0.306 106 T C -1.453 173.185 174.700 -0.102 0.000 1.224 106 T CA -1.039 61.029 62.100 -0.055 0.000 1.012 106 T CB 1.950 70.786 68.868 -0.053 0.000 1.221 106 T HN 0.069 nan 8.240 nan 0.000 0.499 107 E N -0.238 119.928 120.200 -0.058 0.000 2.705 107 E HA 0.306 4.656 4.350 -0.001 0.000 0.373 107 E C -3.201 173.407 176.600 0.012 0.000 1.071 107 E CA -1.496 54.878 56.400 -0.044 0.000 0.790 107 E CB 0.093 29.783 29.700 -0.017 0.000 1.478 107 E HN 0.452 nan 8.360 nan 0.000 0.391 108 P HA 0.371 nan 4.420 nan 0.000 0.270 108 P C 0.530 177.862 177.300 0.054 0.000 1.223 108 P CA 0.698 63.810 63.100 0.019 0.000 0.785 108 P CB 0.743 32.449 31.700 0.009 0.000 0.923 109 G N -0.053 108.774 108.800 0.045 0.000 2.617 109 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.686 109 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.686 109 G C 0.576 175.531 174.900 0.092 0.000 1.214 109 G CA -0.155 44.997 45.100 0.088 0.000 0.796 109 G HN 0.302 nan 8.290 nan 0.000 0.654 110 S N 0.405 116.181 115.700 0.127 0.000 2.436 110 S HA 0.036 4.505 4.470 -0.001 0.000 0.228 110 S C 1.929 176.662 174.600 0.221 0.000 1.014 110 S CA 1.589 59.865 58.200 0.126 0.000 0.950 110 S CB -0.211 63.116 63.200 0.212 0.000 0.784 110 S HN 0.785 nan 8.310 nan 0.000 0.504 111 F N 2.679 122.715 119.950 0.144 0.000 2.043 111 F HA -0.185 4.342 4.527 -0.000 0.000 0.297 111 F C 1.775 177.606 175.800 0.052 0.000 1.118 111 F CA 1.273 59.361 58.000 0.147 0.000 1.202 111 F CB -0.527 38.548 39.000 0.126 0.000 0.965 111 F HN 0.091 nan 8.300 nan 0.000 0.482 112 L N -0.707 120.523 121.223 0.012 0.000 2.131 112 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 112 L C 2.169 178.858 176.870 -0.302 0.000 1.092 112 L CA 1.646 56.343 54.840 -0.239 0.000 0.759 112 L CB -1.659 40.354 42.059 -0.076 0.000 0.903 112 L HN 0.387 nan 8.230 nan 0.000 0.435 113 Y N -1.480 118.659 120.300 -0.268 0.000 2.242 113 Y HA -0.264 4.285 4.550 -0.001 0.000 0.291 113 Y C 1.895 177.647 175.900 -0.247 0.000 1.137 113 Y CA 1.592 59.527 58.100 -0.274 0.000 1.181 113 Y CB -0.215 37.992 38.460 -0.422 0.000 0.989 113 Y HN 0.208 nan 8.280 nan 0.000 0.527 114 Y N -0.097 120.074 120.300 -0.214 0.000 2.462 114 Y HA 0.452 5.001 4.550 -0.001 0.000 0.261 114 Y C 1.335 176.997 175.900 -0.396 0.000 1.146 114 Y CA -0.367 57.547 58.100 -0.310 0.000 1.283 114 Y CB -0.772 37.604 38.460 -0.141 0.000 1.090 114 Y HN 0.076 nan 8.280 nan 0.000 0.526 115 A N 2.485 125.055 122.820 -0.417 0.000 2.462 115 A HA 0.200 4.520 4.320 -0.001 0.000 0.243 115 A C -1.513 175.757 177.584 -0.524 0.000 1.076 115 A CA -0.928 50.706 52.037 -0.671 0.000 0.773 115 A CB -0.059 18.197 19.000 -1.240 0.000 1.010 115 A HN 0.118 nan 8.150 nan 0.000 0.493 116 P HA 0.169 nan 4.420 nan 0.000 0.256 116 P C -0.702 176.192 177.300 -0.677 0.000 1.384 116 P CA 0.264 63.021 63.100 -0.571 0.000 0.879 116 P CB -0.547 30.724 31.700 -0.716 0.000 1.403 117 F N -2.224 117.389 119.950 -0.561 0.000 2.603 117 F HA 0.588 5.115 4.527 -0.001 0.000 0.317 117 F C 0.632 176.326 175.800 -0.177 0.000 1.066 117 F CA -1.195 56.476 58.000 -0.548 0.000 0.941 117 F CB 0.456 39.092 39.000 -0.606 0.000 1.291 117 F HN -0.427 nan 8.300 nan 0.000 0.472 118 D N 0.475 120.903 120.400 0.046 0.000 2.259 118 D HA 0.269 4.908 4.640 -0.001 0.000 0.216 118 D C 0.866 177.085 176.300 -0.134 0.000 0.961 118 D CA 1.152 55.178 54.000 0.043 0.000 0.878 118 D CB 0.447 41.403 40.800 0.260 0.000 1.009 118 D HN 0.774 nan 8.370 nan 0.000 0.490 119 G N -0.236 108.447 108.800 -0.195 0.000 3.058 119 G HA2 0.663 4.623 3.960 -0.001 0.000 0.282 119 G HA3 0.663 4.623 3.960 -0.001 0.000 0.282 119 G C -1.385 173.075 174.900 -0.732 0.000 1.248 119 G CA -0.555 44.087 45.100 -0.763 0.000 0.822 119 G HN 0.009 nan 8.290 nan 0.000 0.579 120 I N 0.232 120.151 120.570 -1.086 0.000 2.619 120 I HA 0.414 4.584 4.170 -0.001 0.000 0.292 120 I C -1.360 174.447 176.117 -0.516 0.000 1.100 120 I CA -0.549 60.327 61.300 -0.707 0.000 1.043 120 I CB 2.638 40.264 38.000 -0.622 0.000 1.239 120 I HN 0.292 nan 8.210 nan 0.000 0.420 121 L N 5.323 126.269 121.223 -0.462 0.000 2.337 121 L HA 0.606 4.945 4.340 -0.001 0.000 0.269 121 L C 0.362 177.047 176.870 -0.308 0.000 1.018 121 L CA -0.290 54.282 54.840 -0.447 0.000 0.876 121 L CB 0.989 42.559 42.059 -0.815 0.000 1.236 121 L HN 0.754 nan 8.230 nan 0.000 0.436 122 G N 4.358 113.087 108.800 -0.119 0.000 2.343 122 G HA2 0.283 4.242 3.960 -0.001 0.000 0.254 122 G HA3 0.283 4.242 3.960 -0.001 0.000 0.254 122 G C 0.320 175.203 174.900 -0.029 0.000 1.277 122 G CA -0.333 44.760 45.100 -0.013 0.000 0.909 122 G HN 0.733 nan 8.290 nan 0.000 0.502 123 L N 1.876 123.089 121.223 -0.018 0.000 2.808 123 L HA 0.300 4.639 4.340 -0.001 0.000 0.246 123 L C 1.677 178.711 176.870 0.273 0.000 1.153 123 L CA -0.215 54.609 54.840 -0.027 0.000 0.956 123 L CB 0.030 41.895 42.059 -0.324 0.000 1.270 123 L HN 0.618 nan 8.230 nan 0.000 0.528 124 A N -0.987 121.991 122.820 0.264 0.000 2.301 124 A HA 0.421 4.740 4.320 -0.001 0.000 0.287 124 A C -0.755 176.876 177.584 0.078 0.000 1.274 124 A CA -0.231 51.969 52.037 0.273 0.000 0.865 124 A CB 0.036 19.198 19.000 0.269 0.000 1.324 124 A HN 0.093 nan 8.150 nan 0.000 0.508 125 Y N -0.228 119.983 120.300 -0.149 0.000 2.480 125 Y HA 0.208 4.758 4.550 -0.001 0.000 0.338 125 Y C -1.367 174.494 175.900 -0.066 0.000 1.220 125 Y CA -0.864 57.148 58.100 -0.146 0.000 1.430 125 Y CB 0.062 38.370 38.460 -0.254 0.000 1.311 125 Y HN 0.463 nan 8.280 nan 0.000 0.575 126 P HA -0.228 nan 4.420 nan 0.000 0.216 126 P C 1.422 178.744 177.300 0.037 0.000 1.150 126 P CA 2.419 65.563 63.100 0.074 0.000 0.843 126 P CB 0.046 31.793 31.700 0.078 0.000 0.787 127 S N -0.108 115.608 115.700 0.027 0.000 2.440 127 S HA -0.169 4.301 4.470 -0.001 0.000 0.238 127 S C 1.581 176.140 174.600 -0.068 0.000 1.010 127 S CA 1.354 59.535 58.200 -0.032 0.000 0.972 127 S CB -1.463 61.695 63.200 -0.070 0.000 0.774 127 S HN 0.402 nan 8.310 nan 0.000 0.501 128 I N -0.939 119.588 120.570 -0.071 0.000 3.877 128 I HA 0.430 4.599 4.170 -0.001 0.000 0.332 128 I C 0.209 176.294 176.117 -0.052 0.000 1.525 128 I CA -0.592 60.640 61.300 -0.113 0.000 1.146 128 I CB 0.388 38.248 38.000 -0.233 0.000 1.137 128 I HN 0.134 nan 8.210 nan 0.000 0.424 129 S N 2.296 117.986 115.700 -0.018 0.000 2.452 129 S HA 0.689 5.158 4.470 -0.001 0.000 0.284 129 S C 0.683 175.272 174.600 -0.019 0.000 1.171 129 S CA -0.304 57.898 58.200 0.004 0.000 1.064 129 S CB 0.737 63.952 63.200 0.026 0.000 0.967 129 S HN 0.528 nan 8.310 nan 0.000 0.484 130 A N 4.432 127.236 122.820 -0.028 0.000 2.565 130 A HA 0.382 4.701 4.320 -0.001 0.000 0.237 130 A C 1.311 178.871 177.584 -0.039 0.000 1.053 130 A CA 0.683 52.691 52.037 -0.049 0.000 0.755 130 A CB -0.820 18.140 19.000 -0.067 0.000 0.980 130 A HN 2.382 nan 8.150 nan 0.000 0.506 131 S N 1.018 116.691 115.700 -0.044 0.000 3.402 131 S HA -0.095 4.375 4.470 -0.001 0.000 0.329 131 S C 1.792 176.378 174.600 -0.024 0.000 1.194 131 S CA 1.306 59.483 58.200 -0.037 0.000 0.951 131 S CB -2.184 60.989 63.200 -0.045 0.000 0.975 131 S HN 2.961 nan 8.310 nan 0.000 0.574 132 G N 0.053 108.842 108.800 -0.018 0.000 2.283 132 G HA2 0.082 4.041 3.960 -0.001 0.000 0.280 132 G HA3 0.082 4.041 3.960 -0.001 0.000 0.280 132 G C 0.425 175.328 174.900 0.005 0.000 1.029 132 G CA 0.566 45.663 45.100 -0.004 0.000 0.840 132 G HN 2.274 nan 8.290 nan 0.000 0.505 133 A N 0.052 122.871 122.820 -0.003 0.000 2.488 133 A HA 0.586 4.906 4.320 -0.001 0.000 0.249 133 A C 1.036 178.632 177.584 0.020 0.000 1.083 133 A CA 0.897 52.930 52.037 -0.007 0.000 0.768 133 A CB 0.298 19.281 19.000 -0.029 0.000 1.017 133 A HN 0.843 nan 8.150 nan 0.000 0.496 134 T N 6.028 120.600 114.554 0.031 0.000 2.765 134 T HA 0.267 4.616 4.350 -0.001 0.000 0.284 134 T C -2.253 172.481 174.700 0.057 0.000 0.946 134 T CA 0.071 62.204 62.100 0.054 0.000 1.185 134 T CB -0.226 68.685 68.868 0.073 0.000 0.887 134 T HN 0.463 nan 8.240 nan 0.000 0.532 135 P HA 0.097 nan 4.420 nan 0.000 0.269 135 P C 1.183 178.537 177.300 0.090 0.000 1.209 135 P CA -0.373 62.775 63.100 0.081 0.000 0.776 135 P CB 0.548 32.309 31.700 0.103 0.000 0.876 136 V N 2.568 122.525 119.914 0.071 0.000 2.231 136 V HA -0.306 3.813 4.120 -0.001 0.000 0.250 136 V C 1.933 178.102 176.094 0.124 0.000 1.058 136 V CA 2.105 64.447 62.300 0.070 0.000 1.022 136 V CB -1.274 30.564 31.823 0.026 0.000 0.640 136 V HN 0.556 nan 8.190 nan 0.000 0.445 137 F N 1.392 121.358 119.950 0.027 0.000 2.161 137 F HA -0.212 4.315 4.527 -0.001 0.000 0.300 137 F C 2.032 177.923 175.800 0.151 0.000 1.089 137 F CA 2.194 60.243 58.000 0.082 0.000 1.282 137 F CB -0.523 38.525 39.000 0.081 0.000 1.010 137 F HN 0.305 nan 8.300 nan 0.000 0.485 138 D N -0.803 119.685 120.400 0.147 0.000 2.218 138 D HA -0.171 4.468 4.640 -0.001 0.000 0.204 138 D C 1.833 178.176 176.300 0.071 0.000 0.976 138 D CA 1.100 55.166 54.000 0.112 0.000 0.853 138 D CB -0.291 40.590 40.800 0.135 0.000 0.939 138 D HN 0.246 nan 8.370 nan 0.000 0.481 139 N N -0.445 118.282 118.700 0.045 0.000 2.300 139 N HA 0.036 4.775 4.740 -0.001 0.000 0.179 139 N C 1.501 177.005 175.510 -0.009 0.000 1.016 139 N CA 0.413 53.482 53.050 0.032 0.000 0.876 139 N CB 0.115 38.630 38.487 0.048 0.000 0.979 139 N HN 0.108 nan 8.380 nan 0.000 0.432 140 L N -0.866 120.323 121.223 -0.056 0.000 2.027 140 L HA -0.138 4.201 4.340 -0.001 0.000 0.206 140 L C 2.250 179.079 176.870 -0.068 0.000 1.074 140 L CA 0.999 55.790 54.840 -0.082 0.000 0.745 140 L CB -0.527 41.442 42.059 -0.150 0.000 0.898 140 L HN 0.440 nan 8.230 nan 0.000 0.433 141 W N 1.680 122.771 121.300 -0.347 0.000 2.388 141 W HA -0.202 4.457 4.660 -0.001 0.000 0.294 141 W C 1.828 178.276 176.519 -0.119 0.000 1.212 141 W CA 1.376 58.572 57.345 -0.247 0.000 1.271 141 W CB 0.008 29.301 29.460 -0.278 0.000 1.126 141 W HN 0.274 nan 8.180 nan 0.000 0.535 142 D N 0.038 120.382 120.400 -0.092 0.000 2.178 142 D HA -0.170 4.469 4.640 -0.001 0.000 0.202 142 D C 1.659 177.847 176.300 -0.186 0.000 0.974 142 D CA 1.389 55.291 54.000 -0.163 0.000 0.841 142 D CB -0.504 40.277 40.800 -0.032 0.000 0.953 142 D HN 0.409 nan 8.370 nan 0.000 0.478 143 Q N -0.456 119.264 119.800 -0.133 0.000 2.246 143 Q HA 0.287 4.626 4.340 -0.001 0.000 0.202 143 Q C 0.863 176.783 176.000 -0.133 0.000 0.883 143 Q CA 0.160 55.899 55.803 -0.108 0.000 0.952 143 Q CB 0.825 29.532 28.738 -0.051 0.000 1.078 143 Q HN 0.215 nan 8.270 nan 0.000 0.493 144 G N 1.270 109.936 108.800 -0.223 0.000 2.203 144 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.263 144 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.263 144 G C 0.605 175.450 174.900 -0.091 0.000 1.012 144 G CA 0.356 45.326 45.100 -0.217 0.000 0.749 144 G HN 0.440 nan 8.290 nan 0.000 0.512 145 L N -0.599 120.595 121.223 -0.049 0.000 2.610 145 L HA 0.239 4.579 4.340 -0.001 0.000 0.232 145 L C 1.187 178.089 176.870 0.054 0.000 1.149 145 L CA 0.691 55.534 54.840 0.005 0.000 0.872 145 L CB -0.235 41.830 42.059 0.011 0.000 0.992 145 L HN 0.392 nan 8.230 nan 0.000 0.447 146 V N -5.741 114.226 119.914 0.088 0.000 2.735 146 V HA 0.379 4.498 4.120 -0.001 0.000 0.310 146 V C 0.893 177.128 176.094 0.234 0.000 1.061 146 V CA -0.519 61.885 62.300 0.175 0.000 0.913 146 V CB 1.830 33.781 31.823 0.215 0.000 1.005 146 V HN -0.054 nan 8.190 nan 0.000 0.428 147 S N 2.477 118.305 115.700 0.214 0.000 2.356 147 S HA -0.020 4.449 4.470 -0.001 0.000 0.223 147 S C 0.822 175.611 174.600 0.316 0.000 1.032 147 S CA 1.408 59.736 58.200 0.213 0.000 1.005 147 S CB -0.191 63.105 63.200 0.159 0.000 0.867 147 S HN 0.880 nan 8.310 nan 0.000 0.449 148 Q N 0.388 120.368 119.800 0.301 0.000 2.377 148 Q HA 0.290 4.629 4.340 -0.001 0.000 0.271 148 Q C -1.562 174.514 176.000 0.127 0.000 1.077 148 Q CA -0.636 55.304 55.803 0.229 0.000 0.820 148 Q CB 1.602 30.424 28.738 0.139 0.000 1.347 148 Q HN 0.050 nan 8.270 nan 0.000 0.444 149 D N 2.488 122.695 120.400 -0.321 0.000 2.885 149 D HA 0.224 4.863 4.640 -0.001 0.000 0.234 149 D C -1.200 175.113 176.300 0.021 0.000 1.129 149 D CA 0.138 53.801 54.000 -0.562 0.000 0.991 149 D CB -0.650 39.314 40.800 -1.393 0.000 1.137 149 D HN 0.321 nan 8.370 nan 0.000 0.459 150 L N -1.602 119.803 121.223 0.303 0.000 2.892 150 L HA 0.751 5.090 4.340 -0.001 0.000 0.269 150 L C -1.246 175.688 176.870 0.107 0.000 1.058 150 L CA -1.448 53.432 54.840 0.067 0.000 0.923 150 L CB 0.935 42.965 42.059 -0.049 0.000 1.518 150 L HN -0.133 nan 8.230 nan 0.000 0.402 151 F N -2.383 117.458 119.950 -0.182 0.000 2.654 151 F HA 0.929 5.455 4.527 -0.001 0.000 0.308 151 F C -0.783 174.913 175.800 -0.174 0.000 1.108 151 F CA -0.889 56.994 58.000 -0.194 0.000 0.957 151 F CB 1.464 40.213 39.000 -0.418 0.000 1.309 151 F HN 0.532 nan 8.300 nan 0.000 0.446 152 S N 1.070 116.782 115.700 0.020 0.000 2.578 152 S HA 0.881 5.350 4.470 -0.001 0.000 0.301 152 S C -1.136 173.337 174.600 -0.212 0.000 1.091 152 S CA -0.813 57.233 58.200 -0.257 0.000 1.032 152 S CB 2.111 65.065 63.200 -0.411 0.000 1.064 152 S HN 0.616 nan 8.310 nan 0.000 0.508 153 V N 2.757 122.444 119.914 -0.378 0.000 2.623 153 V HA 0.440 4.560 4.120 -0.001 0.000 0.304 153 V C -1.664 174.342 176.094 -0.145 0.000 1.054 153 V CA -0.719 61.464 62.300 -0.196 0.000 0.882 153 V CB 1.526 33.323 31.823 -0.044 0.000 1.002 153 V HN 0.870 nan 8.190 nan 0.000 0.424 154 Y N 5.786 125.988 120.300 -0.163 0.000 2.350 154 Y HA 0.753 5.302 4.550 -0.001 0.000 0.338 154 Y C -1.234 174.607 175.900 -0.099 0.000 0.961 154 Y CA -1.332 56.753 58.100 -0.025 0.000 1.100 154 Y CB 1.599 40.065 38.460 0.010 0.000 1.179 154 Y HN 0.546 nan 8.280 nan 0.000 0.454 155 L N 6.985 127.711 121.223 -0.828 0.000 2.316 155 L HA 0.421 4.760 4.340 -0.001 0.000 0.280 155 L C 0.357 176.751 176.870 -0.793 0.000 1.006 155 L CA -0.918 53.401 54.840 -0.868 0.000 0.836 155 L CB 1.568 43.096 42.059 -0.885 0.000 1.221 155 L HN 0.831 nan 8.230 nan 0.000 0.418 156 S N 2.298 117.636 115.700 -0.604 0.000 2.580 156 S HA 0.357 4.827 4.470 -0.001 0.000 0.261 156 S C 0.232 174.837 174.600 0.008 0.000 1.366 156 S CA -0.508 57.569 58.200 -0.205 0.000 0.996 156 S CB 1.117 64.313 63.200 -0.007 0.000 0.902 156 S HN 0.541 nan 8.310 nan 0.000 0.566 157 S N 0.364 116.091 115.700 0.045 0.000 2.677 157 S HA 0.536 5.006 4.470 -0.001 0.000 0.304 157 S C -0.437 174.176 174.600 0.021 0.000 1.108 157 S CA -0.970 57.254 58.200 0.040 0.000 0.944 157 S CB 0.819 64.037 63.200 0.031 0.000 1.127 157 S HN 0.852 nan 8.310 nan 0.000 0.511 158 N N 2.174 120.876 118.700 0.004 0.000 2.707 158 N HA -0.165 4.575 4.740 -0.001 0.000 0.253 158 N C -0.871 174.622 175.510 -0.028 0.000 0.998 158 N CA 0.807 53.849 53.050 -0.014 0.000 0.751 158 N CB -1.266 37.217 38.487 -0.007 0.000 0.920 158 N HN 0.650 nan 8.380 nan 0.000 0.539 159 D N -3.010 117.359 120.400 -0.053 0.000 3.070 159 D HA -0.192 4.447 4.640 -0.001 0.000 0.220 159 D C -0.158 176.113 176.300 -0.049 0.000 1.176 159 D CA 1.515 55.466 54.000 -0.081 0.000 0.924 159 D CB -1.112 39.635 40.800 -0.087 0.000 1.124 159 D HN 0.605 nan 8.370 nan 0.000 0.411 160 D N -0.307 120.084 120.400 -0.015 0.000 2.352 160 D HA 0.314 4.954 4.640 -0.001 0.000 0.238 160 D C 1.111 177.420 176.300 0.014 0.000 1.286 160 D CA 0.413 54.421 54.000 0.014 0.000 0.923 160 D CB 0.582 41.412 40.800 0.050 0.000 1.146 160 D HN 0.198 nan 8.370 nan 0.000 0.471 161 S N -1.427 114.296 115.700 0.039 0.000 2.718 161 S HA 0.650 5.119 4.470 -0.001 0.000 0.292 161 S C 1.174 175.844 174.600 0.117 0.000 1.125 161 S CA -0.076 58.151 58.200 0.044 0.000 1.013 161 S CB 1.410 64.630 63.200 0.034 0.000 1.192 161 S HN 0.894 nan 8.310 nan 0.000 0.535 162 G N -0.265 108.615 108.800 0.134 0.000 2.217 162 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.246 162 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.246 162 G C 0.260 175.371 174.900 0.351 0.000 0.990 162 G CA 0.128 45.381 45.100 0.255 0.000 0.627 162 G HN 1.015 nan 8.290 nan 0.000 0.522 163 S N -0.558 115.235 115.700 0.156 0.000 2.566 163 S HA 0.521 4.991 4.470 -0.001 0.000 0.280 163 S C 0.218 174.832 174.600 0.023 0.000 1.343 163 S CA 0.768 58.964 58.200 -0.007 0.000 1.036 163 S CB 1.900 65.076 63.200 -0.040 0.000 0.866 163 S HN 1.581 nan 8.310 nan 0.000 0.526 164 V N 2.695 122.581 119.914 -0.045 0.000 3.279 164 V HA 0.514 4.633 4.120 -0.001 0.000 0.281 164 V C -1.872 174.108 176.094 -0.190 0.000 1.601 164 V CA -0.657 61.573 62.300 -0.116 0.000 1.044 164 V CB 2.055 33.841 31.823 -0.061 0.000 1.205 164 V HN 0.589 nan 8.190 nan 0.000 0.464 165 V N 4.758 124.518 119.914 -0.257 0.000 2.444 165 V HA 0.558 4.678 4.120 -0.001 0.000 0.294 165 V C -0.626 175.377 176.094 -0.152 0.000 1.022 165 V CA -0.561 61.590 62.300 -0.249 0.000 0.850 165 V CB 1.449 33.014 31.823 -0.430 0.000 0.992 165 V HN 0.737 nan 8.190 nan 0.000 0.426 166 L N 6.636 127.825 121.223 -0.056 0.000 2.262 166 L HA 0.550 4.889 4.340 -0.001 0.000 0.288 166 L C -0.460 176.476 176.870 0.111 0.000 1.035 166 L CA 0.136 54.993 54.840 0.028 0.000 0.820 166 L CB 0.845 42.945 42.059 0.069 0.000 1.204 166 L HN 0.533 nan 8.230 nan 0.000 0.424 167 L N 6.218 127.521 121.223 0.134 0.000 2.290 167 L HA 0.446 4.785 4.340 -0.001 0.000 0.284 167 L C 1.314 178.370 176.870 0.311 0.000 1.078 167 L CA -0.006 54.995 54.840 0.268 0.000 0.815 167 L CB 0.899 43.109 42.059 0.252 0.000 1.162 167 L HN 0.920 nan 8.230 nan 0.000 0.435 168 G N 2.380 111.440 108.800 0.433 0.000 2.153 168 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.252 168 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.252 168 G C 0.249 175.293 174.900 0.240 0.000 0.994 168 G CA -0.000 45.312 45.100 0.354 0.000 0.698 168 G HN 1.170 nan 8.290 nan 0.000 0.521 169 G N -1.404 107.521 108.800 0.207 0.000 2.601 169 G HA2 0.628 4.588 3.960 -0.001 0.000 0.291 169 G HA3 0.628 4.588 3.960 -0.001 0.000 0.291 169 G C -1.149 173.854 174.900 0.171 0.000 1.456 169 G CA -0.672 44.532 45.100 0.173 0.000 0.804 169 G HN 0.678 nan 8.290 nan 0.000 0.499 170 I N 0.299 120.988 120.570 0.198 0.000 2.530 170 I HA 0.429 4.598 4.170 -0.001 0.000 0.297 170 I C -1.246 175.060 176.117 0.315 0.000 1.011 170 I CA -0.658 60.808 61.300 0.276 0.000 1.107 170 I CB 2.437 40.597 38.000 0.268 0.000 1.285 170 I HN 0.442 nan 8.210 nan 0.000 0.436 171 D N 2.702 123.349 120.400 0.411 0.000 2.505 171 D HA 0.299 4.938 4.640 -0.001 0.000 0.250 171 D C 0.581 177.045 176.300 0.273 0.000 1.164 171 D CA -0.266 53.923 54.000 0.315 0.000 0.870 171 D CB 1.660 42.675 40.800 0.359 0.000 1.160 171 D HN 0.393 nan 8.370 nan 0.000 0.549 172 S N 1.579 117.395 115.700 0.193 0.000 2.368 172 S HA -0.253 4.216 4.470 -0.001 0.000 0.226 172 S C 1.940 176.368 174.600 -0.286 0.000 1.044 172 S CA 1.432 59.580 58.200 -0.086 0.000 1.062 172 S CB -0.384 62.732 63.200 -0.139 0.000 0.931 172 S HN 0.599 nan 8.310 nan 0.000 0.440 173 S N 0.038 115.623 115.700 -0.191 0.000 2.413 173 S HA -0.207 4.263 4.470 -0.001 0.000 0.237 173 S C 1.433 175.756 174.600 -0.462 0.000 1.044 173 S CA 1.429 59.438 58.200 -0.317 0.000 1.024 173 S CB -0.477 62.532 63.200 -0.318 0.000 0.829 173 S HN 0.632 nan 8.310 nan 0.000 0.475 174 Y N 0.169 120.254 120.300 -0.360 0.000 2.529 174 Y HA 0.194 4.743 4.550 -0.001 0.000 0.290 174 Y C 0.491 176.153 175.900 -0.396 0.000 1.177 174 Y CA 0.084 57.884 58.100 -0.501 0.000 1.305 174 Y CB -0.031 38.005 38.460 -0.707 0.000 1.047 174 Y HN 0.533 nan 8.280 nan 0.000 0.522 175 Y N -2.582 117.490 120.300 -0.379 0.000 2.615 175 Y HA 0.682 5.231 4.550 -0.001 0.000 0.341 175 Y C -0.574 175.240 175.900 -0.144 0.000 1.089 175 Y CA -2.348 55.617 58.100 -0.224 0.000 1.049 175 Y CB 0.704 39.057 38.460 -0.178 0.000 1.296 175 Y HN -0.194 nan 8.280 nan 0.000 0.470 176 T N -0.551 113.946 114.554 -0.094 0.000 2.888 176 T HA 0.741 5.090 4.350 -0.001 0.000 0.284 176 T C 0.476 175.149 174.700 -0.044 0.000 1.017 176 T CA -0.023 61.985 62.100 -0.153 0.000 1.022 176 T CB 1.016 69.836 68.868 -0.080 0.000 1.013 176 T HN 2.264 nan 8.240 nan 0.000 0.465 177 G N 2.324 111.071 108.800 -0.089 0.000 2.514 177 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.265 177 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.265 177 G C -0.178 174.768 174.900 0.077 0.000 1.150 177 G CA -0.083 45.017 45.100 0.001 0.000 0.959 177 G HN 1.338 nan 8.290 nan 0.000 0.556 178 S N -0.630 115.166 115.700 0.160 0.000 2.570 178 S HA 0.691 5.160 4.470 -0.001 0.000 0.286 178 S C -0.065 174.631 174.600 0.159 0.000 1.099 178 S CA -0.648 57.689 58.200 0.229 0.000 0.913 178 S CB 1.633 64.917 63.200 0.140 0.000 1.085 178 S HN 0.735 nan 8.310 nan 0.000 0.480 179 L N 2.630 123.889 121.223 0.060 0.000 2.367 179 L HA 0.348 4.687 4.340 -0.001 0.000 0.275 179 L C 0.292 176.906 176.870 -0.426 0.000 1.129 179 L CA -0.137 54.513 54.840 -0.317 0.000 0.839 179 L CB 0.134 41.816 42.059 -0.629 0.000 1.133 179 L HN 0.570 nan 8.230 nan 0.000 0.453 180 N N 2.815 121.275 118.700 -0.399 0.000 2.419 180 N HA 0.214 4.953 4.740 -0.001 0.000 0.264 180 N C -1.236 173.994 175.510 -0.467 0.000 1.031 180 N CA -0.577 52.322 53.050 -0.252 0.000 0.951 180 N CB 0.952 39.425 38.487 -0.022 0.000 1.101 180 N HN 0.387 nan 8.380 nan 0.000 0.488 181 W N 1.961 123.262 121.300 0.001 0.000 2.316 181 W HA 0.377 5.037 4.660 -0.001 0.000 0.311 181 W C -0.184 176.323 176.519 -0.019 0.000 1.217 181 W CA -0.610 56.718 57.345 -0.028 0.000 1.199 181 W CB 0.861 30.308 29.460 -0.021 0.000 1.202 181 W HN 0.049 nan 8.180 nan 0.000 0.528 182 V N 5.414 125.418 119.914 0.150 0.000 2.487 182 V HA 0.347 4.466 4.120 -0.001 0.000 0.298 182 V C -2.090 174.073 176.094 0.115 0.000 1.028 182 V CA -2.519 59.828 62.300 0.078 0.000 0.860 182 V CB 1.655 33.456 31.823 -0.037 0.000 0.991 182 V HN 0.300 nan 8.190 nan 0.000 0.427 183 P HA 0.167 nan 4.420 nan 0.000 0.271 183 P C -0.455 176.892 177.300 0.078 0.000 1.216 183 P CA -0.158 62.995 63.100 0.089 0.000 0.776 183 P CB 0.634 32.370 31.700 0.060 0.000 0.881 184 V N 3.087 123.057 119.914 0.093 0.000 2.439 184 V HA -0.009 4.110 4.120 -0.001 0.000 0.271 184 V C 1.736 177.835 176.094 0.008 0.000 1.040 184 V CA 0.711 63.056 62.300 0.076 0.000 1.002 184 V CB 0.196 32.070 31.823 0.085 0.000 1.000 184 V HN 0.732 nan 8.190 nan 0.000 0.477 185 S N 4.515 120.218 115.700 0.005 0.000 2.387 185 S HA 0.025 4.494 4.470 -0.001 0.000 0.226 185 S C 0.516 175.088 174.600 -0.047 0.000 1.026 185 S CA 0.344 58.536 58.200 -0.013 0.000 0.972 185 S CB 0.099 63.299 63.200 0.001 0.000 0.814 185 S HN 0.469 nan 8.310 nan 0.000 0.477 186 V N 1.681 121.550 119.914 -0.075 0.000 2.612 186 V HA 0.366 4.486 4.120 -0.001 0.000 0.301 186 V C -1.053 174.870 176.094 -0.286 0.000 1.059 186 V CA -0.805 61.415 62.300 -0.133 0.000 0.886 186 V CB 1.865 33.649 31.823 -0.064 0.000 1.007 186 V HN 0.290 nan 8.190 nan 0.000 0.426 187 E N 2.855 122.783 120.200 -0.454 0.000 2.070 187 E HA 0.554 4.903 4.350 -0.001 0.000 0.282 187 E C 0.758 176.920 176.600 -0.730 0.000 1.104 187 E CA 0.651 56.472 56.400 -0.966 0.000 0.876 187 E CB 1.150 30.251 29.700 -0.998 0.000 1.055 187 E HN 0.941 nan 8.360 nan 0.000 0.401 188 G N 3.069 111.480 108.800 -0.648 0.000 4.262 188 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.140 188 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.140 188 G C -0.604 174.197 174.900 -0.165 0.000 1.200 188 G CA -0.399 44.499 45.100 -0.338 0.000 1.048 188 G HN 0.415 nan 8.290 nan 0.000 0.358 189 Y N -0.647 119.638 120.300 -0.026 0.000 2.418 189 Y HA 0.532 5.081 4.550 -0.001 0.000 0.327 189 Y C -0.281 175.673 175.900 0.090 0.000 1.309 189 Y CA -0.877 57.283 58.100 0.100 0.000 1.423 189 Y CB 1.039 39.567 38.460 0.113 0.000 1.423 189 Y HN 0.195 nan 8.280 nan 0.000 0.532 190 W N 2.246 123.802 121.300 0.426 0.000 1.864 190 W HA 0.287 4.946 4.660 -0.001 0.000 0.425 190 W C -0.236 176.405 176.519 0.203 0.000 0.791 190 W CA -0.188 57.380 57.345 0.371 0.000 1.650 190 W CB -0.084 29.638 29.460 0.437 0.000 1.791 190 W HN 0.251 nan 8.180 nan 0.000 0.266 191 Q N 3.460 123.414 119.800 0.257 0.000 2.261 191 Q HA 0.518 4.858 4.340 -0.001 0.000 0.252 191 Q C 0.045 176.100 176.000 0.091 0.000 0.915 191 Q CA -0.254 55.640 55.803 0.151 0.000 0.915 191 Q CB 0.884 29.693 28.738 0.117 0.000 1.204 191 Q HN 0.548 nan 8.270 nan 0.000 0.421 192 I N -0.964 119.633 120.570 0.044 0.000 3.042 192 I HA 0.579 4.748 4.170 -0.001 0.000 0.310 192 I C -0.707 175.403 176.117 -0.012 0.000 1.117 192 I CA -1.024 60.280 61.300 0.007 0.000 1.003 192 I CB 2.448 40.427 38.000 -0.035 0.000 1.228 192 I HN 0.299 nan 8.210 nan 0.000 0.443 193 T N 3.873 118.418 114.554 -0.015 0.000 2.845 193 T HA 0.449 4.798 4.350 -0.001 0.000 0.288 193 T C -0.275 174.402 174.700 -0.040 0.000 0.980 193 T CA -0.334 61.755 62.100 -0.018 0.000 1.071 193 T CB 1.056 69.921 68.868 -0.006 0.000 0.941 193 T HN 0.364 nan 8.240 nan 0.000 0.487 194 L N 3.859 125.046 121.223 -0.060 0.000 2.257 194 L HA 0.256 4.595 4.340 -0.001 0.000 0.290 194 L C 0.800 177.628 176.870 -0.071 0.000 1.044 194 L CA -0.597 54.192 54.840 -0.085 0.000 0.810 194 L CB 0.962 42.916 42.059 -0.175 0.000 1.193 194 L HN 0.702 nan 8.230 nan 0.000 0.425 195 D N 1.407 121.785 120.400 -0.036 0.000 2.084 195 D HA -0.068 4.571 4.640 -0.001 0.000 0.194 195 D C 0.507 176.769 176.300 -0.062 0.000 0.990 195 D CA 1.259 55.239 54.000 -0.032 0.000 0.826 195 D CB 0.334 41.131 40.800 -0.006 0.000 0.971 195 D HN 0.580 nan 8.370 nan 0.000 0.453 196 S N -1.214 114.436 115.700 -0.083 0.000 2.578 196 S HA 0.536 5.006 4.470 -0.001 0.000 0.272 196 S C -1.124 173.352 174.600 -0.207 0.000 1.145 196 S CA -0.983 57.139 58.200 -0.131 0.000 0.835 196 S CB 1.151 64.296 63.200 -0.091 0.000 1.104 196 S HN 0.048 nan 8.310 nan 0.000 0.458 197 I N 2.369 122.764 120.570 -0.292 0.000 2.420 197 I HA 0.546 4.715 4.170 -0.001 0.000 0.282 197 I C -0.430 175.502 176.117 -0.309 0.000 1.019 197 I CA -0.306 60.717 61.300 -0.461 0.000 1.130 197 I CB 1.648 39.291 38.000 -0.596 0.000 1.262 197 I HN 0.934 nan 8.210 nan 0.000 0.454 198 T N 3.955 118.348 114.554 -0.268 0.000 2.952 198 T HA 0.695 5.044 4.350 -0.001 0.000 0.305 198 T C -0.636 173.986 174.700 -0.130 0.000 1.064 198 T CA -0.931 61.069 62.100 -0.166 0.000 1.008 198 T CB 1.866 70.669 68.868 -0.108 0.000 1.078 198 T HN 0.534 nan 8.240 nan 0.000 0.459 199 M N 1.425 120.966 119.600 -0.098 0.000 2.311 199 M HA 0.664 5.144 4.480 -0.001 0.000 0.325 199 M C -0.972 175.310 176.300 -0.030 0.000 1.061 199 M CA -0.345 54.925 55.300 -0.050 0.000 0.957 199 M CB 1.247 33.822 32.600 -0.041 0.000 1.646 199 M HN 0.599 nan 8.290 nan 0.000 0.434 200 D N 2.475 122.867 120.400 -0.012 0.000 2.746 200 D HA -0.160 4.480 4.640 -0.001 0.000 0.236 200 D C 1.111 177.401 176.300 -0.017 0.000 1.129 200 D CA 1.799 55.794 54.000 -0.008 0.000 0.691 200 D CB -1.386 39.411 40.800 -0.004 0.000 1.077 200 D HN 1.372 nan 8.370 nan 0.000 0.432 201 G N -0.069 108.717 108.800 -0.023 0.000 2.205 201 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.269 201 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.269 201 G C 0.117 174.997 174.900 -0.034 0.000 0.977 201 G CA 0.995 46.079 45.100 -0.027 0.000 0.652 201 G HN 0.522 nan 8.290 nan 0.000 0.539 202 E N 0.953 121.130 120.200 -0.038 0.000 2.146 202 E HA 0.430 4.780 4.350 -0.001 0.000 0.282 202 E C -0.002 176.562 176.600 -0.059 0.000 0.989 202 E CA -0.284 56.092 56.400 -0.041 0.000 0.799 202 E CB 0.815 30.495 29.700 -0.034 0.000 1.088 202 E HN 0.093 nan 8.360 nan 0.000 0.397 203 T N 4.361 118.882 114.554 -0.054 0.000 2.800 203 T HA 0.027 4.376 4.350 -0.001 0.000 0.266 203 T C 1.417 176.082 174.700 -0.060 0.000 0.939 203 T CA 0.157 62.219 62.100 -0.065 0.000 1.199 203 T CB -0.418 68.421 68.868 -0.048 0.000 0.899 203 T HN 0.453 nan 8.240 nan 0.000 0.555 204 I N 0.279 120.800 120.570 -0.083 0.000 3.226 204 I HA 0.530 4.699 4.170 -0.001 0.000 0.277 204 I C 0.889 176.989 176.117 -0.029 0.000 1.243 204 I CA -0.211 61.048 61.300 -0.069 0.000 1.459 204 I CB -0.031 37.905 38.000 -0.108 0.000 1.093 204 I HN 0.519 nan 8.210 nan 0.000 0.453 205 A N -0.131 122.671 122.820 -0.031 0.000 2.515 205 A HA 0.443 4.762 4.320 -0.001 0.000 0.292 205 A C -0.081 177.499 177.584 -0.007 0.000 1.065 205 A CA -0.064 52.011 52.037 0.064 0.000 0.641 205 A CB 0.317 19.463 19.000 0.243 0.000 1.306 205 A HN 0.541 nan 8.150 nan 0.000 0.441 206 c N 1.299 119.958 118.600 0.099 0.000 3.004 206 c HA 0.042 4.612 4.570 -0.001 0.000 0.267 206 c C 0.584 174.650 174.090 -0.040 0.000 1.211 206 c CA 0.485 56.811 56.329 -0.006 0.000 2.485 206 c CB -2.963 39.340 42.510 -0.346 0.000 1.539 206 c HN 2.183 nan 8.230 nan 0.000 0.462 207 S N 2.819 118.524 115.700 0.009 0.000 2.499 207 S HA 0.622 5.091 4.470 -0.001 0.000 0.279 207 S C 1.197 175.796 174.600 -0.001 0.000 1.219 207 S CA 0.441 58.638 58.200 -0.006 0.000 1.062 207 S CB 1.639 64.842 63.200 0.005 0.000 0.978 207 S HN 2.594 nan 8.310 nan 0.000 0.489 208 G N 1.650 110.442 108.800 -0.013 0.000 2.179 208 G HA2 0.271 4.230 3.960 -0.001 0.000 0.260 208 G HA3 0.271 4.230 3.960 -0.001 0.000 0.260 208 G C 0.941 175.835 174.900 -0.009 0.000 0.977 208 G CA 0.046 45.142 45.100 -0.007 0.000 0.641 208 G HN 2.520 nan 8.290 nan 0.000 0.533 209 G N -2.147 106.640 108.800 -0.022 0.000 2.619 209 G HA2 0.489 4.448 3.960 -0.001 0.000 0.686 209 G HA3 0.489 4.448 3.960 -0.001 0.000 0.686 209 G C 0.329 175.222 174.900 -0.012 0.000 1.256 209 G CA 0.564 45.647 45.100 -0.029 0.000 0.826 209 G HN 2.594 nan 8.290 nan 0.000 0.619 210 c N -0.840 117.745 118.600 -0.025 0.000 3.306 210 c HA 0.863 5.433 4.570 -0.001 0.000 0.335 210 c C -0.591 173.516 174.090 0.028 0.000 1.382 210 c CA -1.212 55.134 56.329 0.029 0.000 1.254 210 c CB 1.672 44.219 42.510 0.062 0.000 1.555 210 c HN 1.080 nan 8.230 nan 0.000 0.463 211 Q N 0.961 120.816 119.800 0.091 0.000 2.235 211 Q HA 0.733 5.073 4.340 -0.001 0.000 0.250 211 Q C 0.001 176.067 176.000 0.109 0.000 0.909 211 Q CA 0.359 56.209 55.803 0.078 0.000 0.910 211 Q CB 1.828 30.616 28.738 0.083 0.000 1.223 211 Q HN 1.217 nan 8.270 nan 0.000 0.432 212 A N 2.660 125.510 122.820 0.049 0.000 2.539 212 A HA 0.815 5.134 4.320 -0.001 0.000 0.296 212 A C -0.834 176.746 177.584 -0.007 0.000 1.073 212 A CA -0.765 51.292 52.037 0.034 0.000 0.700 212 A CB 1.209 20.178 19.000 -0.051 0.000 1.296 212 A HN 0.724 nan 8.150 nan 0.000 0.405 213 I N -1.063 119.485 120.570 -0.037 0.000 2.740 213 I HA 0.821 4.990 4.170 -0.001 0.000 0.303 213 I C -1.190 174.905 176.117 -0.036 0.000 1.044 213 I CA -1.154 60.142 61.300 -0.006 0.000 1.064 213 I CB 2.191 40.138 38.000 -0.089 0.000 1.249 213 I HN 0.224 nan 8.210 nan 0.000 0.433 214 V N 3.638 123.595 119.914 0.071 0.000 2.333 214 V HA 0.324 4.444 4.120 -0.001 0.000 0.274 214 V C -0.787 175.408 176.094 0.168 0.000 1.028 214 V CA 0.084 62.410 62.300 0.044 0.000 0.851 214 V CB 0.677 32.528 31.823 0.047 0.000 1.000 214 V HN 0.773 nan 8.190 nan 0.000 0.456 215 D N 3.081 123.524 120.400 0.072 0.000 2.505 215 D HA 0.284 4.923 4.640 -0.001 0.000 0.250 215 D C 1.237 177.562 176.300 0.042 0.000 1.164 215 D CA -0.026 54.022 54.000 0.080 0.000 0.870 215 D CB 2.069 42.896 40.800 0.046 0.000 1.160 215 D HN 0.551 nan 8.370 nan 0.000 0.549 216 T N 0.247 114.814 114.554 0.022 0.000 2.881 216 T HA -0.029 4.320 4.350 -0.001 0.000 0.270 216 T C 1.935 176.634 174.700 -0.002 0.000 1.068 216 T CA 0.849 62.931 62.100 -0.030 0.000 1.131 216 T CB -0.289 68.527 68.868 -0.086 0.000 0.871 216 T HN 0.372 nan 8.240 nan 0.000 0.479 217 G N 0.865 109.669 108.800 0.007 0.000 2.625 217 G HA2 0.118 4.078 3.960 -0.001 0.000 0.214 217 G HA3 0.118 4.078 3.960 -0.001 0.000 0.214 217 G C 0.499 175.417 174.900 0.030 0.000 1.132 217 G CA 0.352 45.454 45.100 0.003 0.000 0.782 217 G HN 0.530 nan 8.290 nan 0.000 0.538 218 T N -0.193 114.383 114.554 0.037 0.000 2.824 218 T HA 0.386 4.735 4.350 -0.001 0.000 0.280 218 T C 1.519 176.256 174.700 0.062 0.000 0.995 218 T CA 0.077 62.201 62.100 0.039 0.000 1.009 218 T CB 1.811 70.687 68.868 0.014 0.000 0.955 218 T HN 0.173 nan 8.240 nan 0.000 0.452 219 S N 3.287 119.035 115.700 0.080 0.000 2.388 219 S HA 0.177 4.646 4.470 -0.001 0.000 0.223 219 S C 0.764 175.405 174.600 0.068 0.000 1.034 219 S CA 0.106 58.369 58.200 0.105 0.000 0.963 219 S CB -0.330 62.946 63.200 0.128 0.000 0.827 219 S HN 0.526 nan 8.310 nan 0.000 0.481 220 L N 0.671 121.918 121.223 0.039 0.000 2.416 220 L HA 0.543 4.883 4.340 -0.001 0.000 0.263 220 L C -0.171 176.682 176.870 -0.027 0.000 1.065 220 L CA -0.914 53.929 54.840 0.006 0.000 0.798 220 L CB 1.008 43.075 42.059 0.013 0.000 1.267 220 L HN 0.196 nan 8.230 nan 0.000 0.467 221 L N 1.358 122.524 121.223 -0.095 0.000 2.287 221 L HA 0.302 4.642 4.340 -0.001 0.000 0.280 221 L C 0.134 176.997 176.870 -0.012 0.000 1.055 221 L CA -0.214 54.565 54.840 -0.102 0.000 0.863 221 L CB 0.771 42.669 42.059 -0.268 0.000 1.245 221 L HN 0.741 nan 8.230 nan 0.000 0.432 222 T N 0.813 115.376 114.554 0.016 0.000 2.927 222 T HA 0.888 5.237 4.350 -0.001 0.000 0.281 222 T C 0.099 174.718 174.700 -0.136 0.000 0.998 222 T CA -0.248 61.839 62.100 -0.022 0.000 1.019 222 T CB 1.981 70.811 68.868 -0.062 0.000 1.061 222 T HN 0.638 nan 8.240 nan 0.000 0.518 223 G N 0.740 109.274 108.800 -0.444 0.000 2.646 223 G HA2 0.630 4.590 3.960 -0.001 0.000 0.291 223 G HA3 0.630 4.590 3.960 -0.001 0.000 0.291 223 G C -3.324 171.072 174.900 -0.840 0.000 1.445 223 G CA -1.461 42.876 45.100 -1.271 0.000 0.814 223 G HN 0.684 nan 8.290 nan 0.000 0.495 224 P HA 0.004 nan 4.420 nan 0.000 0.265 224 P C 1.444 178.583 177.300 -0.268 0.000 1.187 224 P CA 0.613 63.479 63.100 -0.389 0.000 0.766 224 P CB 0.820 32.362 31.700 -0.263 0.000 0.820 225 T N 0.390 114.849 114.554 -0.158 0.000 2.607 225 T HA -0.216 4.134 4.350 -0.001 0.000 0.267 225 T C 1.825 176.483 174.700 -0.070 0.000 1.049 225 T CA 1.983 64.025 62.100 -0.097 0.000 1.162 225 T CB -1.604 67.227 68.868 -0.062 0.000 0.863 225 T HN 0.366 nan 8.240 nan 0.000 0.424 226 S N 2.087 117.756 115.700 -0.051 0.000 2.407 226 S HA -0.081 4.389 4.470 -0.001 0.000 0.235 226 S C 2.466 177.059 174.600 -0.011 0.000 1.036 226 S CA 1.260 59.446 58.200 -0.023 0.000 1.013 226 S CB -0.797 62.396 63.200 -0.011 0.000 0.820 226 S HN 0.823 nan 8.310 nan 0.000 0.476 227 A N 1.110 123.919 122.820 -0.019 0.000 1.911 227 A HA 0.168 4.488 4.320 -0.001 0.000 0.212 227 A C 1.947 179.539 177.584 0.013 0.000 1.189 227 A CA 0.427 52.487 52.037 0.038 0.000 0.639 227 A CB -0.330 18.755 19.000 0.142 0.000 0.839 227 A HN 0.372 nan 8.150 nan 0.000 0.449 228 I N 0.678 121.212 120.570 -0.059 0.000 2.264 228 I HA -0.272 3.898 4.170 -0.001 0.000 0.248 228 I C 2.920 179.013 176.117 -0.040 0.000 1.111 228 I CA 1.436 62.708 61.300 -0.047 0.000 1.382 228 I CB -1.558 36.407 38.000 -0.057 0.000 1.060 228 I HN 0.366 nan 8.210 nan 0.000 0.418 229 A N 1.590 124.391 122.820 -0.031 0.000 1.927 229 A HA -0.260 4.060 4.320 -0.001 0.000 0.220 229 A C 2.073 179.639 177.584 -0.030 0.000 1.185 229 A CA 2.177 54.201 52.037 -0.022 0.000 0.639 229 A CB -0.752 18.238 19.000 -0.016 0.000 0.820 229 A HN 0.497 nan 8.150 nan 0.000 0.451 230 N N 0.380 119.062 118.700 -0.029 0.000 2.106 230 N HA -0.119 4.620 4.740 -0.001 0.000 0.188 230 N C 1.659 177.123 175.510 -0.077 0.000 1.029 230 N CA 1.581 54.609 53.050 -0.037 0.000 0.848 230 N CB -0.566 37.907 38.487 -0.022 0.000 1.007 230 N HN 0.400 nan 8.380 nan 0.000 0.423 231 I N 1.980 122.481 120.570 -0.115 0.000 2.145 231 I HA -0.271 3.899 4.170 -0.001 0.000 0.244 231 I C 2.287 178.256 176.117 -0.246 0.000 1.075 231 I CA 1.456 62.600 61.300 -0.261 0.000 1.332 231 I CB -1.193 36.563 38.000 -0.408 0.000 1.033 231 I HN 0.198 nan 8.210 nan 0.000 0.410 232 Q N 0.628 120.344 119.800 -0.141 0.000 2.020 232 Q HA -0.117 4.222 4.340 -0.001 0.000 0.202 232 Q C 2.451 178.428 176.000 -0.040 0.000 0.982 232 Q CA 1.807 57.571 55.803 -0.064 0.000 0.838 232 Q CB -0.770 27.960 28.738 -0.012 0.000 0.899 232 Q HN 0.467 nan 8.270 nan 0.000 0.423 233 S N 1.713 117.391 115.700 -0.036 0.000 2.400 233 S HA -0.124 4.346 4.470 -0.001 0.000 0.232 233 S C 1.156 175.741 174.600 -0.026 0.000 1.025 233 S CA 1.247 59.434 58.200 -0.021 0.000 0.993 233 S CB -0.173 63.016 63.200 -0.019 0.000 0.808 233 S HN 0.348 nan 8.310 nan 0.000 0.478 234 D N 1.043 121.411 120.400 -0.053 0.000 2.349 234 D HA 0.108 4.748 4.640 -0.001 0.000 0.224 234 D C 1.315 177.595 176.300 -0.033 0.000 1.029 234 D CA 0.490 54.459 54.000 -0.052 0.000 0.879 234 D CB 0.091 40.840 40.800 -0.085 0.000 0.906 234 D HN 0.610 nan 8.370 nan 0.000 0.528 235 I N -5.658 114.905 120.570 -0.011 0.000 4.557 235 I HA 0.357 4.527 4.170 -0.001 0.000 0.333 235 I C 1.123 177.286 176.117 0.076 0.000 1.332 235 I CA -0.027 61.311 61.300 0.063 0.000 1.240 235 I CB 0.884 38.959 38.000 0.125 0.000 1.312 235 I HN -0.097 nan 8.210 nan 0.000 0.457 236 G N 2.214 111.040 108.800 0.044 0.000 2.131 236 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.223 236 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.223 236 G C 0.267 175.199 174.900 0.053 0.000 0.990 236 G CA -0.065 45.062 45.100 0.044 0.000 0.671 236 G HN 0.912 nan 8.290 nan 0.000 0.521 237 A N 0.092 122.947 122.820 0.058 0.000 2.302 237 A HA 0.827 5.147 4.320 -0.001 0.000 0.295 237 A C 0.510 178.122 177.584 0.048 0.000 1.235 237 A CA 0.805 52.884 52.037 0.069 0.000 0.876 237 A CB 0.986 20.045 19.000 0.097 0.000 1.133 237 A HN 1.453 nan 8.150 nan 0.000 0.533 238 S N 1.412 117.140 115.700 0.045 0.000 2.648 238 S HA 0.533 5.002 4.470 -0.001 0.000 0.305 238 S C -0.420 174.203 174.600 0.038 0.000 1.094 238 S CA -0.618 57.603 58.200 0.035 0.000 0.983 238 S CB 1.276 64.493 63.200 0.029 0.000 1.101 238 S HN 0.802 nan 8.310 nan 0.000 0.514 239 E N 1.239 121.458 120.200 0.032 0.000 2.202 239 E HA 0.404 4.753 4.350 -0.001 0.000 0.272 239 E C -0.773 175.843 176.600 0.028 0.000 0.951 239 E CA -0.700 55.719 56.400 0.032 0.000 0.813 239 E CB 0.757 30.475 29.700 0.029 0.000 1.151 239 E HN 0.733 nan 8.360 nan 0.000 0.398 240 N N 0.240 118.957 118.700 0.028 0.000 2.525 240 N HA 0.102 4.841 4.740 -0.001 0.000 0.288 240 N C -0.081 175.443 175.510 0.023 0.000 1.242 240 N CA -0.577 52.488 53.050 0.025 0.000 0.905 240 N CB 1.124 39.626 38.487 0.025 0.000 1.258 240 N HN 0.285 nan 8.380 nan 0.000 0.551 241 S N -2.315 113.398 115.700 0.021 0.000 2.851 241 S HA 0.045 4.514 4.470 -0.001 0.000 0.227 241 S C -0.571 174.042 174.600 0.022 0.000 0.958 241 S CA 0.126 58.338 58.200 0.020 0.000 0.990 241 S CB -0.840 62.371 63.200 0.017 0.000 0.790 241 S HN 0.605 nan 8.310 nan 0.000 0.509 242 D N -0.176 120.239 120.400 0.024 0.000 2.474 242 D HA 0.409 5.048 4.640 -0.001 0.000 0.213 242 D C 1.476 177.794 176.300 0.030 0.000 1.120 242 D CA 0.619 54.635 54.000 0.027 0.000 0.836 242 D CB 0.643 41.459 40.800 0.027 0.000 1.019 242 D HN 0.441 nan 8.370 nan 0.000 0.507 243 G N 1.431 110.249 108.800 0.030 0.000 3.642 243 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.205 243 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.205 243 G C 0.046 174.969 174.900 0.038 0.000 1.526 243 G CA -0.151 44.968 45.100 0.033 0.000 1.097 243 G HN 0.455 nan 8.290 nan 0.000 0.596 244 E N 2.376 122.601 120.200 0.042 0.000 2.641 244 E HA 0.155 4.505 4.350 -0.001 0.000 0.272 244 E C 0.040 176.670 176.600 0.051 0.000 0.990 244 E CA 0.439 56.868 56.400 0.048 0.000 0.971 244 E CB 0.181 29.908 29.700 0.045 0.000 0.967 244 E HN 0.260 nan 8.360 nan 0.000 0.464 245 M N 3.314 122.952 119.600 0.063 0.000 2.497 245 M HA 0.101 4.581 4.480 -0.001 0.000 0.336 245 M C -0.518 175.824 176.300 0.070 0.000 1.378 245 M CA -0.629 54.713 55.300 0.070 0.000 1.375 245 M CB 0.171 32.828 32.600 0.095 0.000 1.337 245 M HN 0.488 nan 8.290 nan 0.000 0.461 246 V N 3.328 123.275 119.914 0.055 0.000 2.521 246 V HA 0.566 4.685 4.120 -0.001 0.000 0.286 246 V C 0.032 176.159 176.094 0.055 0.000 1.034 246 V CA -0.448 61.883 62.300 0.050 0.000 1.045 246 V CB 0.817 32.663 31.823 0.038 0.000 0.974 246 V HN 0.794 nan 8.190 nan 0.000 0.480 247 I N 3.231 123.835 120.570 0.057 0.000 2.775 247 I HA 0.443 4.613 4.170 -0.001 0.000 0.295 247 I C 0.287 176.432 176.117 0.048 0.000 1.287 247 I CA -0.320 61.016 61.300 0.060 0.000 1.029 247 I CB 2.407 40.461 38.000 0.089 0.000 1.282 247 I HN 0.790 nan 8.210 nan 0.000 0.426 248 S N 4.490 120.214 115.700 0.040 0.000 2.642 248 S HA -0.089 4.380 4.470 -0.001 0.000 0.308 248 S C 0.902 175.516 174.600 0.023 0.000 1.255 248 S CA -0.271 57.946 58.200 0.029 0.000 1.057 248 S CB 0.335 63.550 63.200 0.026 0.000 0.785 248 S HN 0.732 nan 8.310 nan 0.000 0.500 249 c N 2.852 121.462 118.600 0.016 0.000 2.522 249 c HA -0.025 4.544 4.570 -0.001 0.000 0.271 249 c C 2.675 176.766 174.090 0.001 0.000 1.425 249 c CA 0.694 57.027 56.329 0.008 0.000 1.751 249 c CB -1.817 40.697 42.510 0.006 0.000 1.775 249 c HN 1.042 nan 8.230 nan 0.000 0.557 250 S N -0.100 115.603 115.700 0.005 0.000 2.406 250 S HA -0.078 4.392 4.470 -0.001 0.000 0.224 250 S C 1.747 176.348 174.600 0.001 0.000 1.030 250 S CA 1.279 59.481 58.200 0.002 0.000 0.958 250 S CB -0.565 62.639 63.200 0.006 0.000 0.811 250 S HN 0.523 nan 8.310 nan 0.000 0.489 251 S N 2.757 118.462 115.700 0.008 0.000 2.413 251 S HA -0.115 4.355 4.470 -0.001 0.000 0.237 251 S C 1.680 176.273 174.600 -0.010 0.000 1.044 251 S CA 1.698 59.906 58.200 0.013 0.000 1.024 251 S CB -0.823 62.397 63.200 0.033 0.000 0.829 251 S HN 0.569 nan 8.310 nan 0.000 0.475 252 I N 1.347 121.898 120.570 -0.032 0.000 2.145 252 I HA -0.234 3.936 4.170 -0.001 0.000 0.244 252 I C 1.860 177.946 176.117 -0.052 0.000 1.075 252 I CA 1.528 62.786 61.300 -0.070 0.000 1.332 252 I CB -0.374 37.589 38.000 -0.061 0.000 1.033 252 I HN 0.185 nan 8.210 nan 0.000 0.410 253 D N -0.161 120.223 120.400 -0.027 0.000 2.352 253 D HA 0.005 4.644 4.640 -0.001 0.000 0.236 253 D C 1.004 177.300 176.300 -0.006 0.000 1.148 253 D CA 0.471 54.461 54.000 -0.017 0.000 0.844 253 D CB 0.143 40.936 40.800 -0.013 0.000 0.933 253 D HN 0.327 nan 8.370 nan 0.000 0.507 254 S N -1.830 113.869 115.700 -0.001 0.000 2.874 254 S HA 0.202 4.671 4.470 -0.001 0.000 0.257 254 S C 0.111 174.725 174.600 0.024 0.000 0.975 254 S CA -0.593 57.613 58.200 0.010 0.000 1.326 254 S CB -0.295 62.912 63.200 0.011 0.000 1.215 254 S HN 0.019 nan 8.310 nan 0.000 0.679 255 L N 2.735 123.975 121.223 0.029 0.000 2.387 255 L HA 0.636 4.976 4.340 -0.001 0.000 0.266 255 L C -2.152 174.770 176.870 0.087 0.000 1.059 255 L CA -2.403 52.478 54.840 0.068 0.000 0.801 255 L CB 1.064 43.184 42.059 0.102 0.000 1.223 255 L HN 0.108 nan 8.230 nan 0.000 0.456 256 P HA 0.126 nan 4.420 nan 0.000 0.284 256 P C -1.475 175.940 177.300 0.192 0.000 1.253 256 P CA -0.551 62.617 63.100 0.114 0.000 0.800 256 P CB 0.886 32.633 31.700 0.079 0.000 0.961 257 D N 2.596 123.091 120.400 0.159 0.000 2.348 257 D HA 0.161 4.801 4.640 -0.001 0.000 0.259 257 D C 0.567 176.982 176.300 0.192 0.000 1.296 257 D CA 0.202 54.331 54.000 0.215 0.000 0.931 257 D CB -0.315 40.574 40.800 0.148 0.000 1.067 257 D HN 0.270 nan 8.370 nan 0.000 0.503 258 I N 2.230 122.947 120.570 0.245 0.000 2.668 258 I HA -0.046 4.123 4.170 -0.001 0.000 0.285 258 I C 0.206 176.355 176.117 0.054 0.000 1.168 258 I CA 0.058 61.382 61.300 0.040 0.000 1.424 258 I CB 0.408 38.355 38.000 -0.089 0.000 1.377 258 I HN -0.036 nan 8.210 nan 0.000 0.560 259 V N 7.850 127.721 119.914 -0.072 0.000 2.417 259 V HA 0.328 4.448 4.120 -0.001 0.000 0.291 259 V C -0.309 175.696 176.094 -0.147 0.000 1.024 259 V CA -0.519 61.789 62.300 0.013 0.000 0.861 259 V CB 1.447 33.292 31.823 0.038 0.000 0.985 259 V HN 0.327 nan 8.190 nan 0.000 0.436 260 F N 2.249 122.293 119.950 0.158 0.000 2.391 260 F HA 0.423 4.949 4.527 -0.001 0.000 0.359 260 F C 0.959 176.844 175.800 0.142 0.000 1.122 260 F CA -0.385 57.680 58.000 0.108 0.000 1.120 260 F CB 1.357 40.450 39.000 0.155 0.000 1.142 260 F HN 0.367 nan 8.300 nan 0.000 0.483 261 T N 5.575 120.224 114.554 0.158 0.000 2.728 261 T HA 0.571 4.920 4.350 -0.001 0.000 0.296 261 T C -0.030 174.754 174.700 0.140 0.000 0.940 261 T CA -0.278 61.901 62.100 0.132 0.000 1.013 261 T CB 0.210 69.098 68.868 0.033 0.000 0.912 261 T HN 0.315 nan 8.240 nan 0.000 0.484 262 I N 3.596 124.298 120.570 0.219 0.000 2.439 262 I HA 0.310 4.480 4.170 -0.001 0.000 0.283 262 I C 0.448 176.647 176.117 0.136 0.000 1.023 262 I CA -0.820 60.565 61.300 0.143 0.000 1.100 262 I CB 1.359 39.401 38.000 0.069 0.000 1.238 262 I HN 0.580 nan 8.210 nan 0.000 0.445 263 N N 5.048 123.789 118.700 0.068 0.000 2.721 263 N HA -0.212 4.528 4.740 -0.001 0.000 0.249 263 N C 0.822 176.366 175.510 0.056 0.000 1.072 263 N CA 1.402 54.486 53.050 0.058 0.000 0.710 263 N CB -0.698 37.827 38.487 0.063 0.000 0.993 263 N HN 1.144 nan 8.380 nan 0.000 0.547 264 G N -2.704 106.124 108.800 0.046 0.000 2.176 264 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.253 264 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.253 264 G C 0.117 175.023 174.900 0.010 0.000 0.979 264 G CA 0.539 45.654 45.100 0.026 0.000 0.641 264 G HN 1.328 nan 8.290 nan 0.000 0.530 265 V N 0.987 120.918 119.914 0.027 0.000 2.495 265 V HA 0.674 4.794 4.120 -0.001 0.000 0.298 265 V C 0.187 176.194 176.094 -0.144 0.000 1.031 265 V CA -0.707 61.543 62.300 -0.084 0.000 0.871 265 V CB 1.570 33.322 31.823 -0.119 0.000 0.988 265 V HN 0.354 nan 8.190 nan 0.000 0.432 266 Q N 4.982 124.648 119.800 -0.223 0.000 2.288 266 Q HA 0.369 4.709 4.340 -0.001 0.000 0.254 266 Q C -1.743 174.035 176.000 -0.369 0.000 0.932 266 Q CA -0.041 55.674 55.803 -0.147 0.000 0.902 266 Q CB 1.577 30.273 28.738 -0.069 0.000 1.203 266 Q HN 0.792 nan 8.270 nan 0.000 0.415 267 Y N 3.024 123.389 120.300 0.108 0.000 2.555 267 Y HA 0.258 4.808 4.550 -0.001 0.000 0.326 267 Y C -2.085 173.993 175.900 0.296 0.000 0.984 267 Y CA -2.487 55.696 58.100 0.138 0.000 1.298 267 Y CB 1.219 39.684 38.460 0.009 0.000 1.094 267 Y HN 0.453 nan 8.280 nan 0.000 0.500 268 P HA 0.135 nan 4.420 nan 0.000 0.281 268 P C -0.825 176.681 177.300 0.345 0.000 1.252 268 P CA -0.268 63.006 63.100 0.289 0.000 0.778 268 P CB 2.207 34.010 31.700 0.171 0.000 0.895 269 L N 3.891 125.351 121.223 0.395 0.000 2.366 269 L HA 0.235 4.574 4.340 -0.001 0.000 0.266 269 L C 0.411 177.551 176.870 0.450 0.000 1.010 269 L CA -0.308 54.783 54.840 0.418 0.000 0.879 269 L CB 0.673 43.090 42.059 0.596 0.000 1.228 269 L HN 0.399 nan 8.230 nan 0.000 0.439 270 S N 4.301 120.152 115.700 0.252 0.000 2.573 270 S HA 0.257 4.726 4.470 -0.001 0.000 0.277 270 S C -1.572 173.003 174.600 -0.043 0.000 1.346 270 S CA -0.638 57.652 58.200 0.149 0.000 1.034 270 S CB 0.332 63.558 63.200 0.043 0.000 0.879 270 S HN 0.596 nan 8.310 nan 0.000 0.528 271 P HA -0.034 nan 4.420 nan 0.000 0.231 271 P C 0.824 177.818 177.300 -0.509 0.000 1.158 271 P CA 0.804 63.240 63.100 -1.107 0.000 0.763 271 P CB -0.380 30.936 31.700 -0.640 0.000 0.805 272 S N -2.051 113.508 115.700 -0.235 0.000 2.671 272 S HA 0.437 4.906 4.470 -0.001 0.000 0.220 272 S C 1.491 176.042 174.600 -0.082 0.000 0.951 272 S CA 0.263 58.388 58.200 -0.125 0.000 0.932 272 S CB -0.201 62.955 63.200 -0.073 0.000 0.777 272 S HN 0.149 nan 8.310 nan 0.000 0.508 273 A N 1.151 123.921 122.820 -0.082 0.000 1.878 273 A HA 0.339 4.659 4.320 -0.001 0.000 0.201 273 A C 1.350 178.983 177.584 0.083 0.000 1.684 273 A CA 0.147 52.191 52.037 0.012 0.000 1.113 273 A CB -0.455 18.578 19.000 0.055 0.000 1.131 273 A HN 0.634 nan 8.150 nan 0.000 0.472 274 Y N -0.651 119.713 120.300 0.107 0.000 2.461 274 Y HA 0.607 5.156 4.550 -0.001 0.000 0.277 274 Y C -0.087 175.910 175.900 0.161 0.000 1.182 274 Y CA -1.288 56.879 58.100 0.112 0.000 1.276 274 Y CB -0.038 38.594 38.460 0.288 0.000 1.087 274 Y HN 0.013 nan 8.280 nan 0.000 0.519 275 I N 3.135 123.721 120.570 0.028 0.000 2.362 275 I HA 0.247 4.416 4.170 -0.001 0.000 0.289 275 I C -0.633 175.508 176.117 0.040 0.000 0.994 275 I CA -1.330 59.997 61.300 0.045 0.000 1.158 275 I CB 1.834 39.790 38.000 -0.073 0.000 1.315 275 I HN 0.150 nan 8.210 nan 0.000 0.451 276 L N 6.487 127.752 121.223 0.070 0.000 2.295 276 L HA 0.323 4.663 4.340 -0.001 0.000 0.288 276 L C 0.398 177.286 176.870 0.029 0.000 1.079 276 L CA -0.134 54.734 54.840 0.047 0.000 0.830 276 L CB 0.336 42.431 42.059 0.059 0.000 1.200 276 L HN 0.546 nan 8.230 nan 0.000 0.438 277 Q N 2.211 122.017 119.800 0.011 0.000 2.431 277 Q HA 0.162 4.501 4.340 -0.001 0.000 0.249 277 Q C -0.548 175.451 176.000 -0.003 0.000 1.025 277 Q CA -0.382 55.423 55.803 0.003 0.000 0.835 277 Q CB 1.283 30.017 28.738 -0.006 0.000 1.207 277 Q HN 0.632 nan 8.270 nan 0.000 0.490 278 D N 1.958 122.357 120.400 -0.001 0.000 2.355 278 D HA -0.006 4.633 4.640 -0.001 0.000 0.233 278 D C 0.051 176.345 176.300 -0.010 0.000 0.997 278 D CA 0.726 54.720 54.000 -0.010 0.000 0.920 278 D CB 0.577 41.373 40.800 -0.007 0.000 1.063 278 D HN 0.440 nan 8.370 nan 0.000 0.465 279 D N -0.330 120.067 120.400 -0.004 0.000 2.730 279 D HA 0.136 4.775 4.640 -0.001 0.000 0.202 279 D C 0.091 176.390 176.300 -0.001 0.000 1.283 279 D CA -0.222 53.776 54.000 -0.004 0.000 1.159 279 D CB 0.191 40.991 40.800 -0.001 0.000 1.167 279 D HN -0.117 nan 8.370 nan 0.000 0.557 280 D N 0.183 120.584 120.400 0.001 0.000 2.388 280 D HA 0.057 4.696 4.640 -0.001 0.000 0.221 280 D C -0.188 176.116 176.300 0.007 0.000 1.133 280 D CA 0.283 54.285 54.000 0.003 0.000 0.831 280 D CB 0.539 41.341 40.800 0.002 0.000 0.962 280 D HN -0.072 nan 8.370 nan 0.000 0.502 281 S N 0.654 116.359 115.700 0.009 0.000 2.594 281 S HA 0.349 4.818 4.470 -0.001 0.000 0.322 281 S C -0.324 174.288 174.600 0.019 0.000 1.085 281 S CA -0.551 57.658 58.200 0.015 0.000 1.116 281 S CB 0.101 63.310 63.200 0.015 0.000 0.979 281 S HN 0.060 nan 8.310 nan 0.000 0.465 282 c N 3.875 122.490 118.600 0.024 0.000 2.366 282 c HA 0.900 5.469 4.570 -0.001 0.000 0.345 282 c C 0.673 174.793 174.090 0.049 0.000 1.209 282 c CA -0.539 55.809 56.329 0.032 0.000 2.050 282 c CB 0.712 43.238 42.510 0.027 0.000 2.359 282 c HN 0.929 nan 8.230 nan 0.000 0.527 283 T N -0.676 113.915 114.554 0.063 0.000 2.906 283 T HA 0.530 4.880 4.350 -0.001 0.000 0.295 283 T C -0.286 174.492 174.700 0.129 0.000 1.075 283 T CA -0.475 61.676 62.100 0.087 0.000 1.005 283 T CB 1.496 70.409 68.868 0.075 0.000 1.136 283 T HN 0.647 nan 8.240 nan 0.000 0.498 284 S N -0.452 115.350 115.700 0.170 0.000 2.589 284 S HA 0.462 4.931 4.470 -0.001 0.000 0.265 284 S C 1.398 176.156 174.600 0.263 0.000 1.342 284 S CA 0.120 58.486 58.200 0.277 0.000 1.005 284 S CB -0.051 63.325 63.200 0.294 0.000 0.909 284 S HN 1.139 nan 8.310 nan 0.000 0.555 285 G N 1.529 110.543 108.800 0.356 0.000 3.324 285 G HA2 0.315 4.275 3.960 -0.001 0.000 0.251 285 G HA3 0.315 4.275 3.960 -0.001 0.000 0.251 285 G C -0.334 174.546 174.900 -0.034 0.000 1.072 285 G CA -0.264 44.915 45.100 0.131 0.000 0.787 285 G HN 0.494 nan 8.290 nan 0.000 0.537 286 F N 0.365 120.405 119.950 0.149 0.000 2.425 286 F HA 0.615 5.142 4.527 -0.001 0.000 0.331 286 F C 0.327 176.163 175.800 0.061 0.000 1.085 286 F CA -1.282 56.785 58.000 0.112 0.000 1.028 286 F CB 1.996 41.059 39.000 0.104 0.000 1.177 286 F HN -0.102 nan 8.300 nan 0.000 0.487 287 E N 0.633 120.937 120.200 0.174 0.000 2.256 287 E HA 0.509 4.858 4.350 -0.001 0.000 0.268 287 E C -0.671 175.937 176.600 0.012 0.000 0.877 287 E CA -0.731 55.716 56.400 0.078 0.000 0.757 287 E CB 1.808 31.531 29.700 0.038 0.000 1.183 287 E HN 0.837 nan 8.360 nan 0.000 0.418 288 G N 3.724 112.522 108.800 -0.003 0.000 2.353 288 G HA2 0.526 4.486 3.960 -0.001 0.000 0.284 288 G HA3 0.526 4.486 3.960 -0.001 0.000 0.284 288 G C -0.504 174.358 174.900 -0.063 0.000 1.172 288 G CA -0.232 44.835 45.100 -0.055 0.000 0.854 288 G HN 0.521 nan 8.290 nan 0.000 0.485 289 M N 2.661 122.200 119.600 -0.103 0.000 2.361 289 M HA 0.157 4.637 4.480 -0.001 0.000 0.274 289 M C -2.126 174.105 176.300 -0.115 0.000 1.035 289 M CA -0.698 54.552 55.300 -0.085 0.000 0.907 289 M CB 1.742 34.303 32.600 -0.065 0.000 1.971 289 M HN 0.368 nan 8.290 nan 0.000 0.494 290 D N 4.315 124.664 120.400 -0.085 0.000 2.312 290 D HA 0.383 5.022 4.640 -0.001 0.000 0.252 290 D C -0.502 175.763 176.300 -0.059 0.000 1.150 290 D CA 0.062 54.012 54.000 -0.083 0.000 0.870 290 D CB 1.832 42.599 40.800 -0.055 0.000 1.153 290 D HN 0.407 nan 8.370 nan 0.000 0.457 291 V N 5.113 124.989 119.914 -0.065 0.000 2.235 291 V HA 0.205 4.324 4.120 -0.001 0.000 0.266 291 V C -2.105 173.987 176.094 -0.004 0.000 1.055 291 V CA -1.467 60.813 62.300 -0.032 0.000 0.844 291 V CB 0.910 32.700 31.823 -0.055 0.000 1.097 291 V HN 0.373 nan 8.190 nan 0.000 0.453 292 P HA 0.251 nan 4.420 nan 0.000 0.271 292 P C -0.201 177.125 177.300 0.044 0.000 1.216 292 P CA 0.570 63.683 63.100 0.021 0.000 0.771 292 P CB 1.844 33.552 31.700 0.013 0.000 0.864 293 T N 0.409 114.993 114.554 0.051 0.000 2.812 293 T HA 0.271 4.620 4.350 -0.001 0.000 0.294 293 T C 1.079 175.805 174.700 0.044 0.000 1.159 293 T CA -0.395 61.744 62.100 0.065 0.000 1.008 293 T CB 0.696 69.630 68.868 0.111 0.000 1.289 293 T HN 0.137 nan 8.240 nan 0.000 0.514 294 S N 0.788 116.509 115.700 0.034 0.000 2.555 294 S HA 0.051 4.520 4.470 -0.001 0.000 0.230 294 S C 1.396 176.010 174.600 0.023 0.000 0.978 294 S CA 0.480 58.692 58.200 0.019 0.000 0.934 294 S CB -0.064 63.139 63.200 0.005 0.000 0.766 294 S HN 0.612 nan 8.310 nan 0.000 0.533 295 S N 0.683 116.406 115.700 0.038 0.000 2.557 295 S HA 0.536 5.006 4.470 -0.001 0.000 0.223 295 S C 0.966 175.596 174.600 0.050 0.000 0.969 295 S CA 0.136 58.359 58.200 0.040 0.000 0.927 295 S CB 0.617 63.846 63.200 0.049 0.000 0.806 295 S HN 0.710 nan 8.310 nan 0.000 0.489 296 G N 1.678 110.508 108.800 0.050 0.000 2.378 296 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.198 296 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.198 296 G C -1.585 173.351 174.900 0.060 0.000 1.223 296 G CA -0.917 44.216 45.100 0.054 0.000 1.088 296 G HN 0.126 nan 8.290 nan 0.000 0.530 297 E N 0.890 121.133 120.200 0.072 0.000 2.089 297 E HA 0.471 4.820 4.350 -0.001 0.000 0.284 297 E C 0.322 176.978 176.600 0.093 0.000 1.023 297 E CA -0.261 56.172 56.400 0.054 0.000 0.819 297 E CB 1.026 30.751 29.700 0.041 0.000 1.076 297 E HN 0.439 nan 8.360 nan 0.000 0.396 298 L N 2.760 124.011 121.223 0.047 0.000 2.397 298 L HA 0.213 4.553 4.340 -0.001 0.000 0.271 298 L C -0.140 176.749 176.870 0.031 0.000 1.148 298 L CA -0.295 54.586 54.840 0.069 0.000 0.825 298 L CB 0.578 42.632 42.059 -0.007 0.000 1.117 298 L HN 0.381 nan 8.230 nan 0.000 0.456 299 W N 3.860 125.133 121.300 -0.044 0.000 2.573 299 W HA 0.549 5.208 4.660 -0.001 0.000 0.326 299 W C -0.440 176.017 176.519 -0.104 0.000 1.049 299 W CA -0.204 57.118 57.345 -0.038 0.000 1.220 299 W CB 1.192 30.651 29.460 -0.002 0.000 1.373 299 W HN 0.157 nan 8.180 nan 0.000 0.507 300 I N 5.117 125.735 120.570 0.080 0.000 2.355 300 I HA 0.234 4.404 4.170 -0.001 0.000 0.288 300 I C -0.394 175.692 176.117 -0.052 0.000 0.999 300 I CA -0.850 60.434 61.300 -0.026 0.000 1.163 300 I CB 0.792 38.752 38.000 -0.065 0.000 1.316 300 I HN 0.099 nan 8.210 nan 0.000 0.454 301 L N 6.874 127.998 121.223 -0.164 0.000 2.328 301 L HA 0.396 4.735 4.340 -0.001 0.000 0.280 301 L C 1.005 177.797 176.870 -0.131 0.000 1.111 301 L CA -0.266 54.390 54.840 -0.306 0.000 0.909 301 L CB 0.260 41.834 42.059 -0.808 0.000 1.277 301 L HN 0.698 nan 8.230 nan 0.000 0.433 302 G N 1.108 109.884 108.800 -0.041 0.000 2.504 302 G HA2 0.057 4.016 3.960 -0.001 0.000 0.257 302 G HA3 0.057 4.016 3.960 -0.001 0.000 0.257 302 G C 0.527 175.460 174.900 0.055 0.000 1.451 302 G CA -0.288 44.820 45.100 0.012 0.000 1.059 302 G HN 0.558 nan 8.290 nan 0.000 0.550 303 D N -0.833 119.594 120.400 0.045 0.000 2.221 303 D HA -0.137 4.503 4.640 -0.001 0.000 0.204 303 D C 2.649 178.978 176.300 0.048 0.000 0.982 303 D CA 0.665 54.679 54.000 0.023 0.000 0.857 303 D CB -0.340 40.514 40.800 0.089 0.000 0.934 303 D HN 0.056 nan 8.370 nan 0.000 0.475 304 V N 0.652 120.603 119.914 0.062 0.000 2.453 304 V HA -0.247 3.872 4.120 -0.001 0.000 0.252 304 V C 2.006 178.142 176.094 0.070 0.000 1.068 304 V CA 1.376 63.706 62.300 0.049 0.000 1.070 304 V CB -0.486 31.342 31.823 0.008 0.000 0.664 304 V HN 0.107 nan 8.190 nan 0.000 0.461 305 F N 0.158 120.070 119.950 -0.065 0.000 2.243 305 F HA 0.058 4.585 4.527 -0.001 0.000 0.287 305 F C 2.170 177.975 175.800 0.008 0.000 1.067 305 F CA 0.988 58.958 58.000 -0.050 0.000 1.304 305 F CB -0.066 38.831 39.000 -0.172 0.000 1.087 305 F HN -0.019 nan 8.300 nan 0.000 0.513 306 I N 0.798 121.511 120.570 0.239 0.000 2.248 306 I HA -0.297 3.873 4.170 -0.001 0.000 0.248 306 I C 2.312 178.405 176.117 -0.040 0.000 1.107 306 I CA 1.371 62.736 61.300 0.108 0.000 1.373 306 I CB -1.674 36.335 38.000 0.015 0.000 1.055 306 I HN 0.262 nan 8.210 nan 0.000 0.418 307 R N 0.522 120.973 120.500 -0.082 0.000 2.139 307 R HA -0.188 4.151 4.340 -0.001 0.000 0.243 307 R C 2.234 178.466 176.300 -0.113 0.000 1.145 307 R CA 1.190 57.229 56.100 -0.102 0.000 0.976 307 R CB -0.041 30.224 30.300 -0.057 0.000 0.866 307 R HN 0.509 nan 8.270 nan 0.000 0.449 308 Q N -0.896 118.768 119.800 -0.228 0.000 2.187 308 Q HA -0.011 4.328 4.340 -0.001 0.000 0.199 308 Q C -0.146 175.451 176.000 -0.671 0.000 0.957 308 Q CA 1.171 56.674 55.803 -0.500 0.000 0.857 308 Q CB 0.292 28.594 28.738 -0.726 0.000 0.929 308 Q HN 0.309 nan 8.270 nan 0.000 0.453 309 Y N -1.446 118.771 120.300 -0.138 0.000 2.442 309 Y HA 0.280 4.829 4.550 -0.001 0.000 0.344 309 Y C -0.735 175.186 175.900 0.035 0.000 0.976 309 Y CA -1.945 56.129 58.100 -0.043 0.000 1.040 309 Y CB 0.768 39.154 38.460 -0.123 0.000 1.228 309 Y HN -0.109 nan 8.280 nan 0.000 0.451 310 Y N 2.538 122.905 120.300 0.112 0.000 2.650 310 Y HA 0.233 4.783 4.550 -0.001 0.000 0.331 310 Y C -0.075 175.756 175.900 -0.114 0.000 1.165 310 Y CA 0.220 58.340 58.100 0.034 0.000 1.473 310 Y CB 0.337 38.809 38.460 0.020 0.000 1.224 310 Y HN 0.609 nan 8.280 nan 0.000 0.533 311 T N 6.602 120.933 114.554 -0.371 0.000 2.779 311 T HA 0.484 4.834 4.350 -0.001 0.000 0.280 311 T C -0.901 173.363 174.700 -0.728 0.000 0.987 311 T CA -0.671 61.111 62.100 -0.531 0.000 0.966 311 T CB 0.934 69.531 68.868 -0.452 0.000 0.933 311 T HN 0.374 nan 8.240 nan 0.000 0.442 312 V N 4.279 123.718 119.914 -0.791 0.000 2.398 312 V HA 0.466 4.585 4.120 -0.001 0.000 0.286 312 V C -0.829 174.753 176.094 -0.853 0.000 1.026 312 V CA -0.836 61.077 62.300 -0.646 0.000 0.868 312 V CB 0.660 32.268 31.823 -0.358 0.000 0.982 312 V HN 0.778 nan 8.190 nan 0.000 0.443 313 F N 2.854 122.170 119.950 -1.057 0.000 2.334 313 F HA 0.386 4.912 4.527 -0.001 0.000 0.367 313 F C 0.451 175.673 175.800 -0.963 0.000 1.115 313 F CA -0.811 56.268 58.000 -1.535 0.000 1.116 313 F CB 0.843 38.172 39.000 -2.785 0.000 1.230 313 F HN 0.399 nan 8.300 nan 0.000 0.484 314 D N 3.427 123.715 120.400 -0.188 0.000 2.396 314 D HA 0.175 4.814 4.640 -0.001 0.000 0.225 314 D C 1.020 177.451 176.300 0.219 0.000 1.121 314 D CA -0.143 53.863 54.000 0.010 0.000 0.853 314 D CB 0.835 41.629 40.800 -0.010 0.000 1.043 314 D HN 0.366 nan 8.370 nan 0.000 0.500 315 R N 2.506 123.107 120.500 0.169 0.000 2.276 315 R HA 0.107 4.447 4.340 -0.001 0.000 0.196 315 R C 1.446 177.718 176.300 -0.046 0.000 0.961 315 R CA 0.260 56.421 56.100 0.101 0.000 1.024 315 R CB -0.024 30.337 30.300 0.101 0.000 0.940 315 R HN 0.469 nan 8.270 nan 0.000 0.480 316 A N 2.311 125.062 122.820 -0.115 0.000 1.873 316 A HA -0.164 4.156 4.320 -0.001 0.000 0.215 316 A C 1.376 178.916 177.584 -0.073 0.000 1.186 316 A CA 1.686 53.628 52.037 -0.158 0.000 0.616 316 A CB -0.206 18.681 19.000 -0.189 0.000 0.823 316 A HN 0.417 nan 8.150 nan 0.000 0.442 317 N N -1.406 117.256 118.700 -0.063 0.000 2.235 317 N HA 0.025 4.764 4.740 -0.001 0.000 0.231 317 N C -0.641 174.881 175.510 0.019 0.000 1.177 317 N CA -0.063 52.961 53.050 -0.045 0.000 0.874 317 N CB -0.483 37.934 38.487 -0.117 0.000 1.097 317 N HN 0.285 nan 8.380 nan 0.000 0.518 318 N N 1.058 119.810 118.700 0.086 0.000 2.671 318 N HA -0.176 4.564 4.740 -0.001 0.000 0.261 318 N C -1.148 174.488 175.510 0.209 0.000 1.053 318 N CA 0.994 54.154 53.050 0.184 0.000 0.732 318 N CB -0.668 37.897 38.487 0.130 0.000 0.887 318 N HN 0.617 nan 8.380 nan 0.000 0.546 319 K N -0.404 120.158 120.400 0.270 0.000 2.509 319 K HA 0.618 4.937 4.320 -0.001 0.000 0.266 319 K C -0.596 176.189 176.600 0.308 0.000 0.987 319 K CA -0.798 55.656 56.287 0.278 0.000 0.868 319 K CB 2.384 35.027 32.500 0.238 0.000 1.421 319 K HN -0.097 nan 8.250 nan 0.000 0.444 320 V N 1.030 121.056 119.914 0.186 0.000 2.448 320 V HA 0.465 4.584 4.120 -0.001 0.000 0.295 320 V C 0.152 176.094 176.094 -0.252 0.000 1.025 320 V CA -0.718 61.496 62.300 -0.143 0.000 0.859 320 V CB 1.585 33.255 31.823 -0.254 0.000 0.988 320 V HN 0.914 nan 8.190 nan 0.000 0.431 321 G N 4.650 113.083 108.800 -0.612 0.000 2.371 321 G HA2 0.755 4.714 3.960 -0.001 0.000 0.326 321 G HA3 0.755 4.714 3.960 -0.001 0.000 0.326 321 G C -1.133 173.305 174.900 -0.771 0.000 1.127 321 G CA -0.460 43.919 45.100 -1.202 0.000 0.885 321 G HN 0.571 nan 8.290 nan 0.000 0.477 322 L N 0.626 121.476 121.223 -0.621 0.000 2.409 322 L HA 0.853 5.193 4.340 -0.001 0.000 0.262 322 L C -0.119 176.661 176.870 -0.150 0.000 0.992 322 L CA -0.977 53.648 54.840 -0.359 0.000 0.817 322 L CB 2.496 44.294 42.059 -0.435 0.000 1.350 322 L HN 0.784 nan 8.230 nan 0.000 0.411 323 A N 2.331 125.197 122.820 0.077 0.000 2.583 323 A HA 0.673 4.993 4.320 -0.001 0.000 0.298 323 A C -2.983 174.863 177.584 0.437 0.000 1.055 323 A CA -0.967 51.219 52.037 0.247 0.000 0.714 323 A CB 1.564 20.668 19.000 0.173 0.000 1.277 323 A HN 0.332 nan 8.150 nan 0.000 0.406 324 P HA 0.246 nan 4.420 nan 0.000 0.264 324 P C 0.561 177.908 177.300 0.079 0.000 1.193 324 P CA 0.460 63.627 63.100 0.112 0.000 0.763 324 P CB 0.443 32.172 31.700 0.048 0.000 0.810 325 V N 1.013 120.923 119.914 -0.006 0.000 2.617 325 V HA 0.256 4.375 4.120 -0.001 0.000 0.304 325 V C 0.824 176.914 176.094 -0.007 0.000 1.040 325 V CA -0.514 61.826 62.300 0.067 0.000 1.149 325 V CB -0.983 30.909 31.823 0.116 0.000 0.914 325 V HN 0.744 nan 8.190 nan 0.000 0.487 326 A N 0.000 122.786 122.820 -0.056 0.000 2.254 326 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 326 A CA 0.000 51.959 52.037 -0.130 0.000 0.836 326 A CB 0.000 18.863 19.000 -0.229 0.000 0.831 326 A HN 0.000 nan 8.150 nan 0.000 0.486