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 1onk_1_A DATA FIRST_RESID 1 DATA SEQUENCE YERLRLRVTH QTTGEEYFRF ITLLRDYVSS GSFSNEIPLL RQSTIPVSDA DATA SEQUENCE QRFVLVELTN QGQDSVTAAI DVTNAYVVAY QAGDQSYFLR DAPRGAETHL DATA SEQUENCE FTGTTRSSLP FNGSYPDLER YAGHRDQIPL GIDQLIQSVT ALRFPGGSTR DATA SEQUENCE TQARSILILI QMISEAARFN PILWRYRQYI NSGASFLPDV YMLELETSWG DATA SEQUENCE QQSTQVQHST DGVFNNPIRL AIPPGNFVTL TNVRDVIASL AIMLFVCGE 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 Y HA 0.000 nan 4.550 nan 0.000 0.201 1 Y C 0.000 175.875 175.900 -0.041 0.000 1.272 1 Y CA 0.000 58.119 58.100 0.031 0.000 1.940 1 Y CB 0.000 38.490 38.460 0.050 0.000 1.050 2 E N 2.556 122.767 120.200 0.019 0.000 2.414 2 E HA 0.261 4.611 4.350 -0.000 0.000 0.263 2 E C -0.510 175.993 176.600 -0.162 0.000 1.000 2 E CA -0.106 56.147 56.400 -0.246 0.000 0.914 2 E CB 0.614 29.706 29.700 -1.014 0.000 0.948 2 E HN 0.543 nan 8.360 nan 0.000 0.444 3 R N 5.414 125.856 120.500 -0.097 0.000 2.388 3 R HA 0.346 4.686 4.340 -0.000 0.000 0.314 3 R C -1.213 175.082 176.300 -0.009 0.000 0.959 3 R CA -0.571 55.516 56.100 -0.022 0.000 0.851 3 R CB 0.481 30.800 30.300 0.032 0.000 1.168 3 R HN 0.562 nan 8.270 nan 0.000 0.472 4 L N 4.623 125.862 121.223 0.027 0.000 2.309 4 L HA 0.588 4.927 4.340 -0.000 0.000 0.282 4 L C 0.265 177.264 176.870 0.215 0.000 1.036 4 L CA -0.890 54.018 54.840 0.113 0.000 0.806 4 L CB 1.733 43.854 42.059 0.104 0.000 1.220 4 L HN 0.544 nan 8.230 nan 0.000 0.429 5 R N 2.803 123.407 120.500 0.173 0.000 2.562 5 R HA 0.686 5.026 4.340 -0.000 0.000 0.298 5 R C -1.423 174.855 176.300 -0.037 0.000 0.961 5 R CA -0.974 55.168 56.100 0.070 0.000 0.881 5 R CB 2.511 32.830 30.300 0.031 0.000 1.159 5 R HN 0.296 nan 8.270 nan 0.000 0.450 6 L N 2.376 123.449 121.223 -0.250 0.000 2.406 6 L HA 0.424 4.764 4.340 -0.000 0.000 0.272 6 L C -0.748 175.979 176.870 -0.239 0.000 0.980 6 L CA -0.512 54.088 54.840 -0.401 0.000 0.831 6 L CB 1.686 43.132 42.059 -1.021 0.000 1.253 6 L HN 0.491 nan 8.230 nan 0.000 0.406 7 R N 3.629 124.042 120.500 -0.145 0.000 2.298 7 R HA 0.607 4.947 4.340 -0.000 0.000 0.310 7 R C -0.958 175.272 176.300 -0.117 0.000 1.068 7 R CA -0.323 55.714 56.100 -0.105 0.000 0.957 7 R CB 0.769 31.034 30.300 -0.059 0.000 1.003 7 R HN 0.599 nan 8.270 nan 0.000 0.454 8 V N 2.187 122.027 119.914 -0.124 0.000 2.313 8 V HA 0.594 4.714 4.120 -0.000 0.000 0.278 8 V C -0.096 175.911 176.094 -0.145 0.000 1.017 8 V CA -0.361 61.858 62.300 -0.134 0.000 0.823 8 V CB 0.888 32.622 31.823 -0.149 0.000 1.010 8 V HN 0.944 nan 8.190 nan 0.000 0.443 9 T N 0.515 114.980 114.554 -0.148 0.000 2.669 9 T HA 0.472 4.822 4.350 -0.000 0.000 0.283 9 T C 0.423 174.967 174.700 -0.261 0.000 1.019 9 T CA -0.329 61.663 62.100 -0.181 0.000 1.039 9 T CB 1.483 70.316 68.868 -0.058 0.000 1.374 9 T HN 0.553 nan 8.240 nan 0.000 0.523 10 H N -0.452 118.618 119.070 0.000 0.000 2.547 10 H HA 0.265 4.820 4.556 -0.000 0.000 0.266 10 H C 1.113 176.446 175.328 0.008 0.000 0.988 10 H CA 0.361 56.412 56.048 0.006 0.000 1.147 10 H CB 0.216 29.982 29.762 0.007 0.000 1.365 10 H HN 0.381 nan 8.280 nan 0.000 0.589 11 Q N -0.654 119.184 119.800 0.063 0.000 2.217 11 Q HA 0.128 4.468 4.340 -0.000 0.000 0.217 11 Q C 0.059 176.074 176.000 0.026 0.000 0.844 11 Q CA 0.012 55.844 55.803 0.049 0.000 0.957 11 Q CB 1.023 29.786 28.738 0.042 0.000 1.127 11 Q HN 0.155 nan 8.270 nan 0.000 0.503 12 T N 1.872 116.429 114.554 0.006 0.000 2.867 12 T HA 0.156 4.506 4.350 -0.000 0.000 0.297 12 T C 0.442 175.163 174.700 0.035 0.000 0.989 12 T CA 0.202 62.308 62.100 0.011 0.000 1.159 12 T CB 0.450 69.309 68.868 -0.015 0.000 0.928 12 T HN 0.337 nan 8.240 nan 0.000 0.538 13 T N 0.680 115.265 114.554 0.052 0.000 2.918 13 T HA 0.482 4.831 4.350 -0.000 0.000 0.283 13 T C 1.791 176.554 174.700 0.106 0.000 1.001 13 T CA -0.465 61.670 62.100 0.059 0.000 1.041 13 T CB 1.389 70.284 68.868 0.044 0.000 1.028 13 T HN 0.490 nan 8.240 nan 0.000 0.511 14 G N 0.291 109.147 108.800 0.093 0.000 2.440 14 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 14 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 14 G C 1.300 176.315 174.900 0.191 0.000 1.154 14 G CA 0.783 45.971 45.100 0.148 0.000 0.767 14 G HN 0.856 nan 8.290 nan 0.000 0.552 15 E N 1.024 121.278 120.200 0.089 0.000 2.058 15 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 15 E C 2.319 179.031 176.600 0.186 0.000 0.997 15 E CA 1.568 58.026 56.400 0.097 0.000 0.801 15 E CB -0.312 29.408 29.700 0.032 0.000 0.746 15 E HN 0.613 nan 8.360 nan 0.000 0.450 16 E N -0.622 119.670 120.200 0.154 0.000 2.058 16 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 16 E C 2.060 178.794 176.600 0.224 0.000 0.997 16 E CA 1.614 58.107 56.400 0.154 0.000 0.801 16 E CB -0.435 29.328 29.700 0.106 0.000 0.746 16 E HN 0.372 nan 8.360 nan 0.000 0.450 17 Y N 0.066 120.452 120.300 0.142 0.000 2.242 17 Y HA -0.229 4.321 4.550 -0.000 0.000 0.291 17 Y C 1.932 177.999 175.900 0.278 0.000 1.137 17 Y CA 1.207 59.419 58.100 0.187 0.000 1.181 17 Y CB -0.272 38.277 38.460 0.148 0.000 0.989 17 Y HN 0.012 nan 8.280 nan 0.000 0.527 18 F N 1.018 121.004 119.950 0.061 0.000 2.102 18 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 18 F C 2.758 178.522 175.800 -0.059 0.000 1.105 18 F CA 2.181 60.148 58.000 -0.054 0.000 1.239 18 F CB -0.515 38.479 39.000 -0.010 0.000 0.991 18 F HN -0.019 nan 8.300 nan 0.000 0.474 19 R N -0.571 120.037 120.500 0.180 0.000 2.096 19 R HA -0.264 4.076 4.340 -0.000 0.000 0.240 19 R C 2.350 178.659 176.300 0.015 0.000 1.139 19 R CA 2.211 58.371 56.100 0.101 0.000 0.952 19 R CB -0.963 29.416 30.300 0.132 0.000 0.854 19 R HN 0.380 nan 8.270 nan 0.000 0.436 20 F N 0.779 120.666 119.950 -0.105 0.000 2.095 20 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 20 F C 1.795 177.469 175.800 -0.211 0.000 1.104 20 F CA 1.446 59.367 58.000 -0.131 0.000 1.232 20 F CB -0.219 38.715 39.000 -0.110 0.000 0.987 20 F HN -0.001 nan 8.300 nan 0.000 0.475 21 I N 1.018 121.327 120.570 -0.434 0.000 2.286 21 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 21 I C 2.623 178.468 176.117 -0.453 0.000 1.115 21 I CA 1.968 62.925 61.300 -0.571 0.000 1.392 21 I CB -2.097 35.571 38.000 -0.552 0.000 1.065 21 I HN 0.390 nan 8.210 nan 0.000 0.418 22 T N -1.281 113.031 114.554 -0.404 0.000 2.951 22 T HA -0.067 4.283 4.350 -0.000 0.000 0.268 22 T C 1.938 176.528 174.700 -0.182 0.000 1.073 22 T CA 0.414 62.343 62.100 -0.285 0.000 1.134 22 T CB -0.468 68.245 68.868 -0.260 0.000 0.884 22 T HN 0.044 nan 8.240 nan 0.000 0.479 23 L N 0.630 121.743 121.223 -0.183 0.000 2.083 23 L HA 0.183 4.523 4.340 -0.000 0.000 0.209 23 L C 2.333 179.117 176.870 -0.144 0.000 1.083 23 L CA 1.095 55.863 54.840 -0.120 0.000 0.752 23 L CB -1.394 40.609 42.059 -0.093 0.000 0.899 23 L HN 0.321 nan 8.230 nan 0.000 0.433 24 L N -0.288 120.758 121.223 -0.295 0.000 2.027 24 L HA -0.164 4.176 4.340 -0.000 0.000 0.206 24 L C 2.686 179.483 176.870 -0.121 0.000 1.074 24 L CA 1.527 56.217 54.840 -0.250 0.000 0.745 24 L CB -0.514 41.284 42.059 -0.435 0.000 0.898 24 L HN 0.254 nan 8.230 nan 0.000 0.433 25 R N -0.732 119.678 120.500 -0.150 0.000 2.115 25 R HA -0.107 4.233 4.340 -0.000 0.000 0.230 25 R C 1.801 178.066 176.300 -0.059 0.000 1.111 25 R CA 1.241 57.283 56.100 -0.095 0.000 0.976 25 R CB -0.918 29.324 30.300 -0.095 0.000 0.870 25 R HN 0.343 nan 8.270 nan 0.000 0.445 26 D N 0.812 121.184 120.400 -0.046 0.000 2.106 26 D HA -0.221 4.419 4.640 -0.000 0.000 0.191 26 D C 1.698 177.993 176.300 -0.008 0.000 0.997 26 D CA 1.368 55.358 54.000 -0.017 0.000 0.834 26 D CB -0.435 40.369 40.800 0.007 0.000 0.956 26 D HN 0.228 nan 8.370 nan 0.000 0.448 27 Y N 1.156 121.409 120.300 -0.078 0.000 2.242 27 Y HA -0.173 4.377 4.550 -0.000 0.000 0.291 27 Y C 2.121 177.984 175.900 -0.063 0.000 1.137 27 Y CA 1.298 59.362 58.100 -0.060 0.000 1.181 27 Y CB 0.004 38.430 38.460 -0.058 0.000 0.989 27 Y HN -0.052 nan 8.280 nan 0.000 0.527 28 V N -2.777 117.121 119.914 -0.027 0.000 3.541 28 V HA 0.139 4.259 4.120 -0.000 0.000 0.267 28 V C 0.859 176.869 176.094 -0.141 0.000 1.213 28 V CA 0.260 62.506 62.300 -0.089 0.000 1.149 28 V CB -0.929 30.887 31.823 -0.011 0.000 0.822 28 V HN 0.170 nan 8.190 nan 0.000 0.462 29 S N 2.292 117.906 115.700 -0.143 0.000 2.546 29 S HA 0.113 4.583 4.470 -0.000 0.000 0.290 29 S C 1.475 175.961 174.600 -0.191 0.000 1.290 29 S CA 0.688 58.791 58.200 -0.161 0.000 1.069 29 S CB 1.116 64.230 63.200 -0.144 0.000 0.846 29 S HN 0.922 nan 8.310 nan 0.000 0.495 30 S N 2.903 118.490 115.700 -0.187 0.000 2.496 30 S HA 0.206 4.676 4.470 -0.000 0.000 0.224 30 S C 1.580 176.085 174.600 -0.158 0.000 0.996 30 S CA 0.632 58.734 58.200 -0.164 0.000 0.927 30 S CB -0.225 62.907 63.200 -0.114 0.000 0.774 30 S HN 1.423 nan 8.310 nan 0.000 0.524 31 G N 0.343 109.013 108.800 -0.216 0.000 2.234 31 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.235 31 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.235 31 G C 0.199 174.992 174.900 -0.179 0.000 0.997 31 G CA 0.118 45.126 45.100 -0.154 0.000 0.623 31 G HN 0.767 nan 8.290 nan 0.000 0.514 32 S N -0.081 115.481 115.700 -0.230 0.000 2.713 32 S HA 0.879 5.349 4.470 -0.000 0.000 0.283 32 S C -0.638 173.683 174.600 -0.465 0.000 1.161 32 S CA -0.308 57.823 58.200 -0.114 0.000 0.999 32 S CB 1.414 64.648 63.200 0.056 0.000 1.039 32 S HN 0.378 nan 8.310 nan 0.000 0.548 33 F N 0.222 120.182 119.950 0.017 0.000 2.599 33 F HA 0.603 5.130 4.527 -0.000 0.000 0.311 33 F C 0.270 176.046 175.800 -0.040 0.000 1.076 33 F CA -0.717 57.279 58.000 -0.008 0.000 0.937 33 F CB 2.050 41.050 39.000 0.000 0.000 1.282 33 F HN 0.504 nan 8.300 nan 0.000 0.460 34 S N 1.719 117.484 115.700 0.108 0.000 2.502 34 S HA 0.349 4.819 4.470 -0.000 0.000 0.304 34 S C -0.212 174.436 174.600 0.080 0.000 1.097 34 S CA -0.607 57.615 58.200 0.037 0.000 1.045 34 S CB 0.294 63.447 63.200 -0.079 0.000 1.019 34 S HN 0.746 nan 8.310 nan 0.000 0.481 35 N N 3.793 122.534 118.700 0.067 0.000 2.708 35 N HA -0.162 4.577 4.740 -0.000 0.000 0.251 35 N C -0.387 175.167 175.510 0.074 0.000 1.017 35 N CA 1.150 54.237 53.050 0.062 0.000 0.742 35 N CB -0.598 37.929 38.487 0.068 0.000 0.943 35 N HN 0.864 nan 8.380 nan 0.000 0.539 36 E N -3.033 117.220 120.200 0.087 0.000 4.129 36 E HA -0.205 4.145 4.350 -0.000 0.000 0.354 36 E C -0.039 176.699 176.600 0.230 0.000 0.673 36 E CA 0.949 57.380 56.400 0.051 0.000 1.347 36 E CB -1.337 28.362 29.700 -0.001 0.000 1.722 36 E HN 0.632 nan 8.360 nan 0.000 0.410 37 I N 1.775 122.513 120.570 0.279 0.000 2.378 37 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 37 I C -2.302 173.948 176.117 0.222 0.000 0.992 37 I CA -2.252 59.202 61.300 0.258 0.000 1.154 37 I CB 1.557 39.633 38.000 0.128 0.000 1.315 37 I HN -0.298 nan 8.210 nan 0.000 0.448 38 P HA 0.149 nan 4.420 nan 0.000 0.268 38 P C -0.908 176.272 177.300 -0.200 0.000 1.208 38 P CA 0.042 62.921 63.100 -0.369 0.000 0.777 38 P CB 0.559 32.097 31.700 -0.270 0.000 0.875 39 L N 1.976 123.049 121.223 -0.249 0.000 2.334 39 L HA 0.402 4.742 4.340 -0.000 0.000 0.273 39 L C 0.485 177.330 176.870 -0.042 0.000 1.013 39 L CA -0.984 53.796 54.840 -0.099 0.000 0.816 39 L CB 0.979 43.010 42.059 -0.048 0.000 1.278 39 L HN 0.210 nan 8.230 nan 0.000 0.431 40 L N 1.515 122.756 121.223 0.030 0.000 2.476 40 L HA 0.280 4.620 4.340 -0.000 0.000 0.255 40 L C 0.750 177.630 176.870 0.016 0.000 1.218 40 L CA -0.362 54.489 54.840 0.018 0.000 0.819 40 L CB 0.188 42.282 42.059 0.058 0.000 1.119 40 L HN 0.556 nan 8.230 nan 0.000 0.485 41 R N 0.354 120.810 120.500 -0.072 0.000 2.738 41 R HA 0.067 4.406 4.340 -0.000 0.000 0.268 41 R C -0.274 175.904 176.300 -0.203 0.000 1.062 41 R CA -0.216 55.797 56.100 -0.145 0.000 1.158 41 R CB 0.261 30.457 30.300 -0.174 0.000 1.046 41 R HN 0.518 nan 8.270 nan 0.000 0.493 42 Q N 0.279 119.828 119.800 -0.419 0.000 2.364 42 Q HA -0.031 4.309 4.340 -0.000 0.000 0.267 42 Q C 1.099 176.926 176.000 -0.288 0.000 0.999 42 Q CA 0.157 55.636 55.803 -0.539 0.000 0.886 42 Q CB 1.026 29.291 28.738 -0.789 0.000 1.243 42 Q HN 0.739 nan 8.270 nan 0.000 0.415 43 S N 0.156 115.732 115.700 -0.206 0.000 2.469 43 S HA -0.179 4.290 4.470 -0.000 0.000 0.238 43 S C 1.754 176.265 174.600 -0.149 0.000 0.998 43 S CA 1.383 59.492 58.200 -0.151 0.000 0.957 43 S CB -0.572 62.567 63.200 -0.102 0.000 0.764 43 S HN 0.867 nan 8.310 nan 0.000 0.514 44 T N 0.779 115.233 114.554 -0.166 0.000 2.996 44 T HA 0.047 4.397 4.350 -0.000 0.000 0.271 44 T C 0.726 175.343 174.700 -0.139 0.000 1.126 44 T CA 0.270 62.285 62.100 -0.143 0.000 1.103 44 T CB -1.188 67.585 68.868 -0.158 0.000 0.870 44 T HN 0.551 nan 8.240 nan 0.000 0.528 45 I N 2.676 123.150 120.570 -0.160 0.000 2.683 45 I HA 0.193 4.363 4.170 -0.000 0.000 0.286 45 I C -2.057 173.976 176.117 -0.140 0.000 1.175 45 I CA -2.103 59.106 61.300 -0.152 0.000 1.429 45 I CB -0.156 37.738 38.000 -0.177 0.000 1.371 45 I HN 0.025 nan 8.210 nan 0.000 0.569 46 P HA 0.011 nan 4.420 nan 0.000 0.268 46 P C 0.892 178.105 177.300 -0.145 0.000 1.205 46 P CA -0.254 62.784 63.100 -0.105 0.000 0.771 46 P CB 0.639 32.295 31.700 -0.073 0.000 0.858 47 V N 1.476 121.298 119.914 -0.153 0.000 2.594 47 V HA -0.246 3.874 4.120 -0.000 0.000 0.253 47 V C 2.075 177.973 176.094 -0.328 0.000 1.069 47 V CA 2.387 64.566 62.300 -0.202 0.000 1.082 47 V CB -1.389 30.354 31.823 -0.134 0.000 0.680 47 V HN 0.678 nan 8.190 nan 0.000 0.469 48 S N -0.823 114.689 115.700 -0.313 0.000 2.436 48 S HA -0.177 4.293 4.470 -0.000 0.000 0.208 48 S C 1.036 175.648 174.600 0.020 0.000 1.063 48 S CA 0.684 58.739 58.200 -0.240 0.000 1.120 48 S CB -0.477 62.781 63.200 0.095 0.000 1.053 48 S HN 0.656 nan 8.310 nan 0.000 0.407 49 D N 0.556 120.973 120.400 0.028 0.000 4.093 49 D HA -0.256 4.384 4.640 -0.000 0.000 0.284 49 D C 0.615 176.974 176.300 0.098 0.000 2.268 49 D CA 1.293 55.316 54.000 0.038 0.000 1.057 49 D CB -0.714 40.078 40.800 -0.014 0.000 1.026 49 D HN 0.648 nan 8.370 nan 0.000 1.196 50 A N -0.373 122.493 122.820 0.078 0.000 2.312 50 A HA 0.135 4.455 4.320 -0.000 0.000 0.215 50 A C 1.292 178.974 177.584 0.162 0.000 1.256 50 A CA 0.342 52.392 52.037 0.021 0.000 0.966 50 A CB 0.426 19.419 19.000 -0.011 0.000 1.053 50 A HN 0.426 nan 8.150 nan 0.000 0.510 51 Q N -0.867 119.062 119.800 0.215 0.000 2.135 51 Q HA 0.172 4.512 4.340 -0.000 0.000 0.222 51 Q C 1.200 177.300 176.000 0.167 0.000 0.808 51 Q CA -0.314 55.660 55.803 0.284 0.000 1.049 51 Q CB 0.591 29.430 28.738 0.168 0.000 1.168 51 Q HN 0.364 nan 8.270 nan 0.000 0.483 52 R N 0.612 121.166 120.500 0.090 0.000 2.148 52 R HA -0.003 4.337 4.340 -0.000 0.000 0.227 52 R C -0.473 175.384 176.300 -0.738 0.000 1.103 52 R CA 1.253 57.151 56.100 -0.337 0.000 0.983 52 R CB 0.198 30.216 30.300 -0.469 0.000 0.874 52 R HN -0.020 nan 8.270 nan 0.000 0.451 53 F N -1.803 118.039 119.950 -0.179 0.000 2.577 53 F HA 0.492 5.019 4.527 -0.000 0.000 0.318 53 F C -0.659 175.058 175.800 -0.139 0.000 1.065 53 F CA -1.311 56.489 58.000 -0.333 0.000 0.929 53 F CB 1.984 40.497 39.000 -0.812 0.000 1.237 53 F HN -0.337 nan 8.300 nan 0.000 0.468 54 V N 4.399 124.381 119.914 0.113 0.000 2.540 54 V HA 0.597 4.717 4.120 -0.000 0.000 0.302 54 V C -1.164 174.939 176.094 0.015 0.000 1.035 54 V CA -0.705 61.604 62.300 0.015 0.000 0.873 54 V CB 1.749 33.568 31.823 -0.007 0.000 0.992 54 V HN 0.619 nan 8.190 nan 0.000 0.428 55 L N 7.538 128.765 121.223 0.007 0.000 2.257 55 L HA 0.587 4.927 4.340 -0.000 0.000 0.290 55 L C -0.261 176.659 176.870 0.083 0.000 1.044 55 L CA -0.801 54.079 54.840 0.065 0.000 0.810 55 L CB 1.564 43.684 42.059 0.101 0.000 1.193 55 L HN 0.629 nan 8.230 nan 0.000 0.425 56 V N 0.499 120.489 119.914 0.127 0.000 2.370 56 V HA 0.467 4.587 4.120 -0.000 0.000 0.283 56 V C -0.261 175.917 176.094 0.141 0.000 1.023 56 V CA -0.583 61.833 62.300 0.193 0.000 0.857 56 V CB 1.612 33.631 31.823 0.327 0.000 0.985 56 V HN 0.868 nan 8.190 nan 0.000 0.443 57 E N 5.364 125.630 120.200 0.109 0.000 2.081 57 E HA 0.525 4.875 4.350 -0.000 0.000 0.276 57 E C -1.230 175.350 176.600 -0.033 0.000 0.950 57 E CA -0.670 55.754 56.400 0.039 0.000 0.776 57 E CB 1.293 31.017 29.700 0.039 0.000 1.094 57 E HN 0.877 nan 8.360 nan 0.000 0.402 58 L N 3.924 125.109 121.223 -0.062 0.000 2.295 58 L HA 0.447 4.787 4.340 -0.000 0.000 0.285 58 L C -0.220 176.594 176.870 -0.093 0.000 1.035 58 L CA -0.632 54.138 54.840 -0.116 0.000 0.806 58 L CB 1.867 43.850 42.059 -0.126 0.000 1.214 58 L HN 0.493 nan 8.230 nan 0.000 0.426 59 T N 1.755 116.252 114.554 -0.095 0.000 2.841 59 T HA 0.339 4.689 4.350 -0.000 0.000 0.285 59 T C -0.305 174.352 174.700 -0.072 0.000 0.991 59 T CA -0.839 61.218 62.100 -0.072 0.000 0.966 59 T CB 1.481 70.317 68.868 -0.053 0.000 0.962 59 T HN 0.671 nan 8.240 nan 0.000 0.438 60 N N 1.902 120.567 118.700 -0.058 0.000 2.538 60 N HA 0.198 4.938 4.740 -0.000 0.000 0.292 60 N C 1.128 176.621 175.510 -0.027 0.000 1.262 60 N CA -0.786 52.231 53.050 -0.054 0.000 0.976 60 N CB 0.391 38.850 38.487 -0.047 0.000 1.161 60 N HN 0.514 nan 8.380 nan 0.000 0.598 61 Q N -1.154 118.634 119.800 -0.021 0.000 2.152 61 Q HA -0.034 4.306 4.340 -0.000 0.000 0.206 61 Q C 1.669 177.681 176.000 0.019 0.000 0.985 61 Q CA 1.896 57.702 55.803 0.005 0.000 0.863 61 Q CB -0.638 28.116 28.738 0.026 0.000 0.904 61 Q HN 0.836 nan 8.270 nan 0.000 0.422 62 G N 0.021 108.839 108.800 0.029 0.000 2.776 62 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.209 62 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.209 62 G C 0.468 175.397 174.900 0.048 0.000 1.145 62 G CA 0.303 45.430 45.100 0.046 0.000 0.791 62 G HN 0.409 nan 8.290 nan 0.000 0.530 63 Q N -0.140 119.675 119.800 0.026 0.000 2.489 63 Q HA -0.157 4.183 4.340 -0.000 0.000 0.259 63 Q C -0.796 175.209 176.000 0.010 0.000 0.934 63 Q CA 0.699 56.510 55.803 0.013 0.000 1.131 63 Q CB -1.654 27.095 28.738 0.018 0.000 1.472 63 Q HN 0.487 nan 8.270 nan 0.000 0.560 64 D N 0.364 120.773 120.400 0.016 0.000 2.424 64 D HA 0.235 4.875 4.640 -0.000 0.000 0.244 64 D C -0.286 175.966 176.300 -0.080 0.000 1.134 64 D CA 0.417 54.392 54.000 -0.041 0.000 0.881 64 D CB 1.336 42.119 40.800 -0.029 0.000 1.191 64 D HN 0.110 nan 8.370 nan 0.000 0.445 65 S N 0.615 116.245 115.700 -0.117 0.000 2.538 65 S HA 0.519 4.989 4.470 -0.000 0.000 0.288 65 S C -0.802 173.728 174.600 -0.117 0.000 1.108 65 S CA -0.684 57.458 58.200 -0.097 0.000 0.971 65 S CB 2.130 65.291 63.200 -0.065 0.000 1.041 65 S HN 0.202 nan 8.310 nan 0.000 0.483 66 V N 2.693 122.551 119.914 -0.093 0.000 2.789 66 V HA 0.661 4.781 4.120 -0.000 0.000 0.311 66 V C -0.768 175.301 176.094 -0.041 0.000 1.073 66 V CA -0.295 61.959 62.300 -0.076 0.000 0.921 66 V CB 2.566 34.327 31.823 -0.105 0.000 1.009 66 V HN 0.905 nan 8.190 nan 0.000 0.426 67 T N 4.759 119.294 114.554 -0.032 0.000 2.815 67 T HA 0.686 5.036 4.350 -0.000 0.000 0.289 67 T C -0.222 174.534 174.700 0.094 0.000 1.000 67 T CA -0.131 61.990 62.100 0.035 0.000 0.958 67 T CB 1.372 70.289 68.868 0.082 0.000 0.944 67 T HN 0.932 nan 8.240 nan 0.000 0.442 68 A N 2.713 125.613 122.820 0.133 0.000 2.310 68 A HA 0.834 5.154 4.320 -0.000 0.000 0.299 68 A C 0.255 177.963 177.584 0.206 0.000 1.147 68 A CA -0.752 51.385 52.037 0.166 0.000 0.818 68 A CB 0.453 19.513 19.000 0.101 0.000 1.096 68 A HN 0.978 nan 8.150 nan 0.000 0.495 69 A N 2.475 125.410 122.820 0.192 0.000 2.276 69 A HA 0.671 4.991 4.320 -0.000 0.000 0.316 69 A C -0.451 177.162 177.584 0.049 0.000 1.229 69 A CA -0.343 51.713 52.037 0.030 0.000 0.851 69 A CB 0.096 18.941 19.000 -0.258 0.000 1.165 69 A HN 0.726 nan 8.150 nan 0.000 0.513 70 I N 2.343 122.975 120.570 0.103 0.000 2.382 70 I HA 0.168 4.338 4.170 -0.000 0.000 0.286 70 I C -0.465 175.803 176.117 0.253 0.000 1.002 70 I CA -0.679 60.717 61.300 0.159 0.000 1.135 70 I CB 1.688 39.748 38.000 0.100 0.000 1.288 70 I HN 0.591 nan 8.210 nan 0.000 0.448 71 D N 5.697 126.271 120.400 0.290 0.000 2.412 71 D HA -0.005 4.635 4.640 -0.000 0.000 0.257 71 D C 1.222 177.515 176.300 -0.012 0.000 1.217 71 D CA 0.087 54.170 54.000 0.139 0.000 0.897 71 D CB 1.549 42.428 40.800 0.132 0.000 1.132 71 D HN 0.434 nan 8.370 nan 0.000 0.493 72 V N 2.086 121.945 119.914 -0.091 0.000 2.970 72 V HA -0.132 3.988 4.120 -0.000 0.000 0.260 72 V C 1.924 177.968 176.094 -0.085 0.000 1.100 72 V CA 1.828 64.093 62.300 -0.058 0.000 1.122 72 V CB -1.077 30.711 31.823 -0.058 0.000 0.721 72 V HN 0.651 nan 8.190 nan 0.000 0.483 73 T N -0.731 113.744 114.554 -0.132 0.000 3.055 73 T HA 0.008 4.358 4.350 -0.000 0.000 0.265 73 T C 1.159 175.805 174.700 -0.091 0.000 1.111 73 T CA 1.265 63.294 62.100 -0.120 0.000 1.118 73 T CB -0.490 68.284 68.868 -0.157 0.000 0.909 73 T HN 0.741 nan 8.240 nan 0.000 0.501 74 N N -0.099 118.520 118.700 -0.134 0.000 1.986 74 N HA 0.425 5.165 4.740 -0.000 0.000 0.227 74 N C 0.833 176.293 175.510 -0.083 0.000 1.387 74 N CA 0.237 53.196 53.050 -0.152 0.000 0.810 74 N CB 0.044 38.102 38.487 -0.715 0.000 1.140 74 N HN 0.472 nan 8.380 nan 0.000 0.504 75 A N -1.002 121.803 122.820 -0.025 0.000 2.861 75 A HA -0.246 4.074 4.320 -0.000 0.000 0.261 75 A C -0.519 177.171 177.584 0.177 0.000 1.351 75 A CA 0.628 52.677 52.037 0.020 0.000 0.904 75 A CB -2.785 16.154 19.000 -0.102 0.000 1.076 75 A HN 0.385 nan 8.150 nan 0.000 0.729 76 Y N -0.869 119.439 120.300 0.012 0.000 2.397 76 Y HA 0.390 4.940 4.550 -0.000 0.000 0.335 76 Y C 1.015 176.943 175.900 0.046 0.000 1.213 76 Y CA -0.689 57.423 58.100 0.021 0.000 1.391 76 Y CB 0.483 38.976 38.460 0.055 0.000 1.293 76 Y HN 0.161 nan 8.280 nan 0.000 0.557 77 V N 4.465 124.487 119.914 0.179 0.000 2.455 77 V HA 0.084 4.204 4.120 -0.000 0.000 0.273 77 V C 0.857 177.032 176.094 0.136 0.000 1.045 77 V CA -0.102 62.274 62.300 0.127 0.000 0.976 77 V CB 0.642 32.513 31.823 0.080 0.000 0.993 77 V HN 0.760 nan 8.190 nan 0.000 0.475 78 V N 1.864 121.845 119.914 0.113 0.000 3.523 78 V HA 0.811 4.931 4.120 -0.000 0.000 0.255 78 V C 0.568 176.660 176.094 -0.003 0.000 1.226 78 V CA 0.726 63.081 62.300 0.092 0.000 1.092 78 V CB 0.076 31.958 31.823 0.098 0.000 0.817 78 V HN 1.007 nan 8.190 nan 0.000 0.458 79 A N 0.104 122.897 122.820 -0.045 0.000 2.567 79 A HA 0.784 5.104 4.320 -0.000 0.000 0.291 79 A C -1.561 176.048 177.584 0.041 0.000 1.048 79 A CA -0.249 51.667 52.037 -0.201 0.000 0.661 79 A CB 0.968 19.506 19.000 -0.771 0.000 1.288 79 A HN 1.334 nan 8.150 nan 0.000 0.424 80 Y N -0.478 119.705 120.300 -0.195 0.000 2.562 80 Y HA 0.812 5.362 4.550 -0.000 0.000 0.345 80 Y C -0.723 174.860 175.900 -0.528 0.000 1.045 80 Y CA -0.947 57.003 58.100 -0.250 0.000 1.028 80 Y CB 1.601 39.973 38.460 -0.146 0.000 1.297 80 Y HN 0.781 nan 8.280 nan 0.000 0.463 81 Q N 2.921 122.288 119.800 -0.722 0.000 2.337 81 Q HA 0.807 5.147 4.340 -0.000 0.000 0.266 81 Q C -1.879 173.968 176.000 -0.256 0.000 1.023 81 Q CA -0.795 54.532 55.803 -0.793 0.000 0.829 81 Q CB 2.059 29.984 28.738 -1.354 0.000 1.306 81 Q HN 1.128 nan 8.270 nan 0.000 0.449 82 A N 2.818 125.554 122.820 -0.140 0.000 2.385 82 A HA 0.694 5.014 4.320 -0.000 0.000 0.290 82 A C 0.436 177.961 177.584 -0.098 0.000 1.094 82 A CA 0.229 52.222 52.037 -0.072 0.000 0.729 82 A CB 0.825 19.837 19.000 0.021 0.000 1.194 82 A HN 1.163 nan 8.150 nan 0.000 0.442 83 G N 2.915 111.646 108.800 -0.115 0.000 2.622 83 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.307 83 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.307 83 G C 0.467 175.320 174.900 -0.078 0.000 1.226 83 G CA 1.239 46.290 45.100 -0.082 0.000 0.997 83 G HN 1.485 nan 8.290 nan 0.000 0.551 84 D N 0.842 121.206 120.400 -0.060 0.000 2.328 84 D HA 0.226 4.866 4.640 -0.000 0.000 0.221 84 D C 0.775 177.007 176.300 -0.112 0.000 1.072 84 D CA 0.583 54.543 54.000 -0.066 0.000 0.850 84 D CB 0.195 40.972 40.800 -0.038 0.000 0.922 84 D HN 0.458 nan 8.370 nan 0.000 0.516 85 Q N 0.347 120.054 119.800 -0.155 0.000 2.301 85 Q HA 0.548 4.888 4.340 -0.000 0.000 0.267 85 Q C -0.335 175.385 176.000 -0.466 0.000 1.035 85 Q CA -0.611 55.005 55.803 -0.312 0.000 0.856 85 Q CB 2.232 30.774 28.738 -0.327 0.000 1.337 85 Q HN 0.208 nan 8.270 nan 0.000 0.450 86 S N 0.480 115.797 115.700 -0.637 0.000 2.548 86 S HA 0.766 5.236 4.470 -0.000 0.000 0.286 86 S C -1.420 172.648 174.600 -0.887 0.000 1.098 86 S CA -0.615 57.178 58.200 -0.678 0.000 0.930 86 S CB 0.894 63.902 63.200 -0.319 0.000 1.070 86 S HN 0.424 nan 8.310 nan 0.000 0.480 87 Y N 1.059 120.929 120.300 -0.717 0.000 2.338 87 Y HA 0.605 5.155 4.550 -0.000 0.000 0.333 87 Y C -0.973 174.588 175.900 -0.565 0.000 0.968 87 Y CA -1.138 56.630 58.100 -0.552 0.000 1.123 87 Y CB 1.141 39.155 38.460 -0.744 0.000 1.165 87 Y HN 0.645 nan 8.280 nan 0.000 0.452 88 F N 3.510 123.413 119.950 -0.079 0.000 2.415 88 F HA 0.467 4.994 4.527 -0.000 0.000 0.348 88 F C -0.218 175.520 175.800 -0.103 0.000 1.119 88 F CA -0.892 57.072 58.000 -0.061 0.000 1.069 88 F CB 0.888 39.849 39.000 -0.065 0.000 1.124 88 F HN 0.272 nan 8.300 nan 0.000 0.472 89 L N 3.271 124.510 121.223 0.025 0.000 2.456 89 L HA 0.184 4.524 4.340 -0.000 0.000 0.272 89 L C 0.732 177.581 176.870 -0.036 0.000 1.189 89 L CA 0.082 54.867 54.840 -0.091 0.000 0.846 89 L CB 0.219 42.269 42.059 -0.016 0.000 1.111 89 L HN 0.534 nan 8.230 nan 0.000 0.475 90 R N 2.999 123.427 120.500 -0.121 0.000 2.538 90 R HA -0.028 4.312 4.340 -0.000 0.000 0.282 90 R C -0.209 176.105 176.300 0.023 0.000 1.009 90 R CA 0.469 56.542 56.100 -0.045 0.000 1.063 90 R CB -0.062 30.203 30.300 -0.059 0.000 0.945 90 R HN 0.762 nan 8.270 nan 0.000 0.414 91 D N 0.434 120.859 120.400 0.043 0.000 3.068 91 D HA -0.183 4.457 4.640 -0.000 0.000 0.218 91 D C -0.374 175.990 176.300 0.107 0.000 1.145 91 D CA 1.148 55.191 54.000 0.071 0.000 0.896 91 D CB -1.554 39.294 40.800 0.081 0.000 1.105 91 D HN 0.706 nan 8.370 nan 0.000 0.423 92 A N 0.378 123.268 122.820 0.117 0.000 2.429 92 A HA 0.409 4.729 4.320 -0.000 0.000 0.242 92 A C -1.803 175.869 177.584 0.146 0.000 1.088 92 A CA -0.498 51.637 52.037 0.164 0.000 0.784 92 A CB -0.072 19.060 19.000 0.221 0.000 1.038 92 A HN -0.071 nan 8.150 nan 0.000 0.501 93 P HA 0.060 nan 4.420 nan 0.000 0.264 93 P C -0.302 177.056 177.300 0.096 0.000 1.183 93 P CA 0.318 63.507 63.100 0.149 0.000 0.763 93 P CB 0.289 32.141 31.700 0.252 0.000 0.807 94 R N 2.352 122.880 120.500 0.048 0.000 2.538 94 R HA 0.241 4.581 4.340 -0.000 0.000 0.282 94 R C 1.399 177.708 176.300 0.016 0.000 1.009 94 R CA 1.253 57.364 56.100 0.018 0.000 1.063 94 R CB -0.451 29.853 30.300 0.006 0.000 0.945 94 R HN 0.892 nan 8.270 nan 0.000 0.414 95 G N 1.612 110.415 108.800 0.005 0.000 2.157 95 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.248 95 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.248 95 G C 0.862 175.812 174.900 0.084 0.000 0.979 95 G CA 0.299 45.422 45.100 0.038 0.000 0.650 95 G HN 0.724 nan 8.290 nan 0.000 0.529 96 A N 0.264 123.110 122.820 0.044 0.000 1.902 96 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 96 A C 1.988 179.563 177.584 -0.016 0.000 1.181 96 A CA 2.085 54.161 52.037 0.065 0.000 0.623 96 A CB -0.348 18.701 19.000 0.081 0.000 0.818 96 A HN 0.578 nan 8.150 nan 0.000 0.443 97 E N -0.507 119.478 120.200 -0.358 0.000 2.204 97 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 97 E C 1.388 177.859 176.600 -0.215 0.000 0.989 97 E CA 1.480 57.441 56.400 -0.731 0.000 0.824 97 E CB -0.247 28.872 29.700 -0.969 0.000 0.756 97 E HN 0.719 nan 8.360 nan 0.000 0.477 98 T N -1.291 113.226 114.554 -0.061 0.000 3.129 98 T HA 0.051 4.401 4.350 -0.000 0.000 0.251 98 T C 0.917 175.623 174.700 0.010 0.000 1.117 98 T CA 0.451 62.551 62.100 0.001 0.000 1.034 98 T CB 0.023 68.913 68.868 0.037 0.000 0.968 98 T HN 0.176 nan 8.240 nan 0.000 0.526 99 H N -0.480 118.607 119.070 0.028 0.000 2.735 99 H HA 0.482 5.038 4.556 -0.000 0.000 0.250 99 H C 0.152 175.544 175.328 0.107 0.000 0.948 99 H CA -0.125 55.994 56.048 0.117 0.000 1.137 99 H CB 0.466 30.369 29.762 0.236 0.000 1.440 99 H HN 0.169 nan 8.280 nan 0.000 0.444 100 L N 1.354 122.639 121.223 0.104 0.000 2.307 100 L HA 0.214 4.554 4.340 -0.000 0.000 0.282 100 L C -0.652 176.214 176.870 -0.006 0.000 1.051 100 L CA -0.725 53.993 54.840 -0.203 0.000 0.804 100 L CB 0.693 42.434 42.059 -0.532 0.000 1.197 100 L HN 0.203 nan 8.230 nan 0.000 0.431 101 F N 0.922 120.939 119.950 0.111 0.000 2.460 101 F HA -0.211 4.316 4.527 -0.000 0.000 0.328 101 F C 1.324 177.159 175.800 0.059 0.000 1.081 101 F CA 0.829 58.863 58.000 0.057 0.000 1.136 101 F CB -2.030 36.968 39.000 -0.003 0.000 1.527 101 F HN 0.678 nan 8.300 nan 0.000 0.806 102 T N -2.903 111.749 114.554 0.163 0.000 3.065 102 T HA 0.263 4.613 4.350 -0.000 0.000 0.252 102 T C 1.858 176.594 174.700 0.060 0.000 1.099 102 T CA 0.744 62.894 62.100 0.083 0.000 1.063 102 T CB 0.439 69.322 68.868 0.024 0.000 0.948 102 T HN 0.651 nan 8.240 nan 0.000 0.506 103 G N 1.914 110.756 108.800 0.070 0.000 2.880 103 G HA2 0.229 4.189 3.960 -0.000 0.000 0.209 103 G HA3 0.229 4.189 3.960 -0.000 0.000 0.209 103 G C 0.795 175.706 174.900 0.018 0.000 1.157 103 G CA 0.549 45.669 45.100 0.034 0.000 0.779 103 G HN 0.726 nan 8.290 nan 0.000 0.539 104 T N -2.493 112.080 114.554 0.030 0.000 2.897 104 T HA 0.503 4.853 4.350 -0.000 0.000 0.278 104 T C -0.053 174.625 174.700 -0.035 0.000 0.981 104 T CA -0.483 61.606 62.100 -0.019 0.000 0.973 104 T CB 1.601 70.438 68.868 -0.051 0.000 1.092 104 T HN -0.153 nan 8.240 nan 0.000 0.543 105 T N 2.383 116.887 114.554 -0.084 0.000 2.737 105 T HA 0.321 4.671 4.350 -0.000 0.000 0.296 105 T C 0.259 174.860 174.700 -0.165 0.000 0.922 105 T CA -0.398 61.639 62.100 -0.105 0.000 1.079 105 T CB -0.007 68.796 68.868 -0.109 0.000 0.892 105 T HN 0.422 nan 8.240 nan 0.000 0.514 106 R N 2.667 123.108 120.500 -0.098 0.000 2.221 106 R HA 0.496 4.836 4.340 -0.000 0.000 0.327 106 R C -0.307 175.935 176.300 -0.096 0.000 1.033 106 R CA -0.380 55.695 56.100 -0.041 0.000 0.887 106 R CB 0.814 31.110 30.300 -0.008 0.000 1.057 106 R HN 0.572 nan 8.270 nan 0.000 0.455 107 S N 0.925 116.546 115.700 -0.132 0.000 2.542 107 S HA 0.417 4.887 4.470 -0.000 0.000 0.293 107 S C -0.676 173.942 174.600 0.030 0.000 1.089 107 S CA -0.973 57.167 58.200 -0.100 0.000 0.961 107 S CB 2.220 65.298 63.200 -0.203 0.000 1.062 107 S HN 0.415 nan 8.310 nan 0.000 0.483 108 S N 1.975 117.688 115.700 0.021 0.000 2.489 108 S HA 0.531 5.001 4.470 -0.000 0.000 0.291 108 S C -0.198 174.370 174.600 -0.054 0.000 1.151 108 S CA -0.763 57.446 58.200 0.015 0.000 1.082 108 S CB 0.354 63.545 63.200 -0.016 0.000 1.019 108 S HN 0.510 nan 8.310 nan 0.000 0.492 109 L N 3.959 125.083 121.223 -0.165 0.000 2.399 109 L HA 0.368 4.708 4.340 -0.000 0.000 0.266 109 L C -1.402 175.173 176.870 -0.492 0.000 1.114 109 L CA -1.828 52.755 54.840 -0.428 0.000 0.804 109 L CB 0.675 42.232 42.059 -0.836 0.000 1.146 109 L HN 0.445 nan 8.230 nan 0.000 0.451 110 P HA 0.051 nan 4.420 nan 0.000 0.255 110 P C -0.656 176.449 177.300 -0.325 0.000 1.248 110 P CA 0.395 63.328 63.100 -0.279 0.000 0.807 110 P CB -0.096 31.540 31.700 -0.107 0.000 1.150 111 F N -0.490 119.247 119.950 -0.354 0.000 2.579 111 F HA 0.636 5.163 4.527 -0.000 0.000 0.324 111 F C 0.169 175.911 175.800 -0.096 0.000 1.058 111 F CA -1.812 56.027 58.000 -0.269 0.000 0.944 111 F CB 0.229 38.955 39.000 -0.456 0.000 1.245 111 F HN -0.290 nan 8.300 nan 0.000 0.477 112 N N -0.591 118.210 118.700 0.170 0.000 2.566 112 N HA 0.522 5.262 4.740 -0.000 0.000 0.299 112 N C 0.550 176.177 175.510 0.194 0.000 1.277 112 N CA -0.497 52.622 53.050 0.115 0.000 0.965 112 N CB 0.407 38.935 38.487 0.067 0.000 1.142 112 N HN 0.937 nan 8.380 nan 0.000 0.596 113 G N -1.618 107.207 108.800 0.041 0.000 3.233 113 G HA2 0.025 3.985 3.960 -0.000 0.000 0.227 113 G HA3 0.025 3.985 3.960 -0.000 0.000 0.227 113 G C 0.088 174.848 174.900 -0.233 0.000 1.175 113 G CA -0.034 45.026 45.100 -0.066 0.000 0.781 113 G HN 0.767 nan 8.290 nan 0.000 0.542 114 S N -0.375 115.235 115.700 -0.150 0.000 2.533 114 S HA 0.124 4.594 4.470 -0.000 0.000 0.282 114 S C 1.228 175.809 174.600 -0.032 0.000 1.304 114 S CA -0.516 57.593 58.200 -0.151 0.000 1.063 114 S CB 0.692 63.878 63.200 -0.023 0.000 0.881 114 S HN 0.231 nan 8.310 nan 0.000 0.493 115 Y N 4.312 124.606 120.300 -0.010 0.000 2.081 115 Y HA 0.009 4.559 4.550 -0.000 0.000 0.280 115 Y C -0.569 175.329 175.900 -0.004 0.000 1.163 115 Y CA 1.322 59.418 58.100 -0.007 0.000 1.135 115 Y CB -2.239 36.226 38.460 0.009 0.000 0.970 115 Y HN 0.584 nan 8.280 nan 0.000 0.498 116 P HA -0.167 nan 4.420 nan 0.000 0.212 116 P C 1.379 178.730 177.300 0.085 0.000 1.178 116 P CA 2.226 65.386 63.100 0.099 0.000 0.915 116 P CB -0.058 31.694 31.700 0.088 0.000 0.788 117 D N -1.131 119.338 120.400 0.116 0.000 2.108 117 D HA -0.187 4.453 4.640 -0.000 0.000 0.190 117 D C 1.877 178.303 176.300 0.211 0.000 0.995 117 D CA 1.116 55.221 54.000 0.175 0.000 0.834 117 D CB -0.949 39.967 40.800 0.194 0.000 0.967 117 D HN -0.166 nan 8.370 nan 0.000 0.446 118 L N 0.851 122.159 121.223 0.142 0.000 2.021 118 L HA -0.193 4.146 4.340 -0.000 0.000 0.215 118 L C 2.180 179.042 176.870 -0.014 0.000 1.074 118 L CA 1.942 56.797 54.840 0.025 0.000 0.760 118 L CB -0.857 41.227 42.059 0.043 0.000 0.889 118 L HN 0.084 nan 8.230 nan 0.000 0.433 119 E N -1.010 119.188 120.200 -0.003 0.000 2.110 119 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 119 E C 2.294 178.794 176.600 -0.165 0.000 0.988 119 E CA 0.997 57.330 56.400 -0.111 0.000 0.804 119 E CB -0.058 29.555 29.700 -0.144 0.000 0.745 119 E HN 0.375 nan 8.360 nan 0.000 0.458 120 R N -0.973 119.459 120.500 -0.112 0.000 2.127 120 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 120 R C 1.545 177.635 176.300 -0.350 0.000 1.134 120 R CA 1.487 57.454 56.100 -0.222 0.000 0.975 120 R CB -0.176 29.993 30.300 -0.217 0.000 0.865 120 R HN 0.342 nan 8.270 nan 0.000 0.447 121 Y N -1.303 118.903 120.300 -0.157 0.000 2.441 121 Y HA 0.204 4.754 4.550 -0.000 0.000 0.288 121 Y C 2.278 178.050 175.900 -0.213 0.000 1.118 121 Y CA 0.525 58.514 58.100 -0.184 0.000 1.215 121 Y CB -0.025 38.261 38.460 -0.290 0.000 1.118 121 Y HN 0.004 nan 8.280 nan 0.000 0.547 122 A N 0.115 122.875 122.820 -0.100 0.000 1.975 122 A HA 0.459 4.779 4.320 -0.000 0.000 0.215 122 A C 1.499 179.017 177.584 -0.110 0.000 1.170 122 A CA 1.163 53.122 52.037 -0.130 0.000 0.656 122 A CB -0.924 17.985 19.000 -0.151 0.000 0.821 122 A HN 0.508 nan 8.150 nan 0.000 0.449 123 G N -1.594 107.121 108.800 -0.143 0.000 2.631 123 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.504 123 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.504 123 G C -0.622 174.162 174.900 -0.195 0.000 1.306 123 G CA -0.302 44.700 45.100 -0.163 0.000 0.897 123 G HN 0.587 nan 8.290 nan 0.000 0.520 124 H N 0.936 119.964 119.070 -0.071 0.000 2.722 124 H HA 0.247 4.803 4.556 -0.000 0.000 0.328 124 H C 1.923 177.186 175.328 -0.107 0.000 1.067 124 H CA 0.321 56.319 56.048 -0.084 0.000 1.447 124 H CB 1.020 30.738 29.762 -0.073 0.000 1.469 124 H HN 0.571 nan 8.280 nan 0.000 0.544 125 R N 1.200 121.677 120.500 -0.039 0.000 2.133 125 R HA -0.175 4.165 4.340 -0.000 0.000 0.247 125 R C 1.224 177.478 176.300 -0.076 0.000 1.151 125 R CA 2.016 58.052 56.100 -0.108 0.000 0.971 125 R CB -0.008 30.153 30.300 -0.232 0.000 0.866 125 R HN 0.681 nan 8.270 nan 0.000 0.447 126 D N -0.574 119.804 120.400 -0.037 0.000 2.363 126 D HA -0.118 4.522 4.640 -0.000 0.000 0.226 126 D C 0.763 177.029 176.300 -0.055 0.000 1.020 126 D CA 0.754 54.720 54.000 -0.057 0.000 0.892 126 D CB 0.064 40.826 40.800 -0.062 0.000 0.900 126 D HN 0.281 nan 8.370 nan 0.000 0.531 127 Q N -0.352 119.428 119.800 -0.033 0.000 2.139 127 Q HA 0.376 4.716 4.340 -0.000 0.000 0.219 127 Q C -0.189 175.778 176.000 -0.055 0.000 0.805 127 Q CA -0.166 55.613 55.803 -0.041 0.000 1.024 127 Q CB 1.406 30.133 28.738 -0.019 0.000 1.163 127 Q HN 0.265 nan 8.270 nan 0.000 0.485 128 I N 2.473 122.996 120.570 -0.078 0.000 2.330 128 I HA 0.310 4.480 4.170 -0.000 0.000 0.286 128 I C -2.339 173.684 176.117 -0.157 0.000 1.025 128 I CA -2.387 58.853 61.300 -0.100 0.000 1.197 128 I CB 1.323 39.269 38.000 -0.091 0.000 1.358 128 I HN -0.173 nan 8.210 nan 0.000 0.467 129 P HA 0.179 nan 4.420 nan 0.000 0.267 129 P C -0.836 176.292 177.300 -0.286 0.000 1.200 129 P CA 0.116 63.076 63.100 -0.233 0.000 0.772 129 P CB 0.594 32.205 31.700 -0.148 0.000 0.855 130 L N 1.336 122.260 121.223 -0.499 0.000 2.301 130 L HA 0.928 5.268 4.340 -0.000 0.000 0.264 130 L C 0.690 177.378 176.870 -0.302 0.000 1.016 130 L CA -0.612 53.941 54.840 -0.477 0.000 0.821 130 L CB 2.042 43.684 42.059 -0.694 0.000 1.346 130 L HN 0.633 nan 8.230 nan 0.000 0.429 131 G N -0.038 108.742 108.800 -0.034 0.000 2.359 131 G HA2 0.078 4.038 3.960 -0.000 0.000 0.314 131 G HA3 0.078 4.038 3.960 -0.000 0.000 0.314 131 G C -0.309 174.603 174.900 0.019 0.000 1.364 131 G CA -0.426 44.751 45.100 0.128 0.000 0.978 131 G HN 0.438 nan 8.290 nan 0.000 0.615 132 I N 0.383 120.966 120.570 0.022 0.000 2.264 132 I HA -0.031 4.139 4.170 -0.000 0.000 0.248 132 I C 2.142 178.208 176.117 -0.085 0.000 1.111 132 I CA 2.397 63.657 61.300 -0.066 0.000 1.382 132 I CB -0.261 37.697 38.000 -0.070 0.000 1.060 132 I HN 0.524 nan 8.210 nan 0.000 0.418 133 D N -0.141 120.257 120.400 -0.003 0.000 2.123 133 D HA -0.214 4.426 4.640 -0.000 0.000 0.196 133 D C 2.200 178.485 176.300 -0.026 0.000 0.992 133 D CA 1.240 55.255 54.000 0.025 0.000 0.833 133 D CB -0.242 40.612 40.800 0.090 0.000 0.954 133 D HN 0.398 nan 8.370 nan 0.000 0.455 134 Q N -0.157 119.619 119.800 -0.041 0.000 2.167 134 Q HA -0.039 4.300 4.340 -0.000 0.000 0.202 134 Q C 1.969 177.917 176.000 -0.086 0.000 0.970 134 Q CA 0.301 56.064 55.803 -0.067 0.000 0.855 134 Q CB -0.193 28.492 28.738 -0.089 0.000 0.911 134 Q HN 0.157 nan 8.270 nan 0.000 0.438 135 L N 0.192 121.356 121.223 -0.099 0.000 1.976 135 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 135 L C 1.915 178.719 176.870 -0.110 0.000 1.071 135 L CA 1.630 56.401 54.840 -0.115 0.000 0.746 135 L CB -0.853 41.128 42.059 -0.131 0.000 0.890 135 L HN 0.270 nan 8.230 nan 0.000 0.432 136 I N -0.925 119.576 120.570 -0.116 0.000 2.118 136 I HA -0.423 3.747 4.170 -0.000 0.000 0.241 136 I C 2.503 178.581 176.117 -0.066 0.000 1.070 136 I CA 1.530 62.767 61.300 -0.104 0.000 1.327 136 I CB -0.316 37.603 38.000 -0.136 0.000 1.034 136 I HN 0.406 nan 8.210 nan 0.000 0.405 137 Q N -0.016 119.753 119.800 -0.052 0.000 2.170 137 Q HA -0.158 4.182 4.340 -0.000 0.000 0.203 137 Q C 2.365 178.331 176.000 -0.056 0.000 0.976 137 Q CA 1.753 57.535 55.803 -0.036 0.000 0.858 137 Q CB -0.048 28.672 28.738 -0.030 0.000 0.907 137 Q HN 0.407 nan 8.270 nan 0.000 0.433 138 S N -0.332 115.317 115.700 -0.084 0.000 2.406 138 S HA -0.087 4.383 4.470 -0.000 0.000 0.228 138 S C 1.997 176.516 174.600 -0.135 0.000 1.020 138 S CA 0.742 58.873 58.200 -0.116 0.000 0.965 138 S CB -0.037 63.084 63.200 -0.132 0.000 0.798 138 S HN 0.147 nan 8.310 nan 0.000 0.488 139 V N 1.961 121.806 119.914 -0.116 0.000 2.261 139 V HA -0.206 3.913 4.120 -0.000 0.000 0.246 139 V C 2.542 178.577 176.094 -0.099 0.000 1.047 139 V CA 2.234 64.462 62.300 -0.120 0.000 1.015 139 V CB -1.462 30.300 31.823 -0.102 0.000 0.642 139 V HN 0.500 nan 8.190 nan 0.000 0.446 140 T N 0.682 115.215 114.554 -0.035 0.000 2.635 140 T HA -0.253 4.097 4.350 -0.000 0.000 0.267 140 T C 2.061 176.800 174.700 0.066 0.000 1.040 140 T CA 1.883 64.018 62.100 0.059 0.000 1.156 140 T CB -0.615 68.312 68.868 0.098 0.000 0.863 140 T HN 0.580 nan 8.240 nan 0.000 0.430 141 A N 1.066 123.888 122.820 0.003 0.000 1.908 141 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 141 A C 2.305 179.856 177.584 -0.054 0.000 1.181 141 A CA 1.376 53.406 52.037 -0.011 0.000 0.627 141 A CB -0.816 18.152 19.000 -0.052 0.000 0.818 141 A HN 0.509 nan 8.150 nan 0.000 0.445 142 L N -1.626 119.512 121.223 -0.140 0.000 2.270 142 L HA -0.009 4.331 4.340 -0.000 0.000 0.210 142 L C 2.577 179.382 176.870 -0.109 0.000 1.104 142 L CA 0.849 55.573 54.840 -0.194 0.000 0.804 142 L CB -0.297 41.492 42.059 -0.449 0.000 0.937 142 L HN 0.303 nan 8.230 nan 0.000 0.450 143 R N 0.790 121.177 120.500 -0.187 0.000 2.096 143 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 143 R C -0.120 175.883 176.300 -0.494 0.000 1.127 143 R CA 1.223 57.075 56.100 -0.413 0.000 0.968 143 R CB -0.276 29.601 30.300 -0.705 0.000 0.861 143 R HN 0.045 nan 8.270 nan 0.000 0.440 144 F N 0.922 120.877 119.950 0.009 0.000 2.458 144 F HA 0.448 4.975 4.527 -0.000 0.000 0.336 144 F C -1.730 174.086 175.800 0.026 0.000 1.114 144 F CA -3.069 54.943 58.000 0.019 0.000 0.987 144 F CB 1.137 40.141 39.000 0.007 0.000 1.130 144 F HN -0.076 nan 8.300 nan 0.000 0.458 145 P HA 0.291 nan 4.420 nan 0.000 0.267 145 P C 0.648 178.023 177.300 0.126 0.000 1.200 145 P CA 0.566 63.760 63.100 0.157 0.000 0.772 145 P CB 0.633 32.424 31.700 0.152 0.000 0.855 146 G N 0.256 109.112 108.800 0.094 0.000 2.229 146 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.189 146 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.189 146 G C 0.510 175.441 174.900 0.053 0.000 1.000 146 G CA -0.217 44.924 45.100 0.069 0.000 0.663 146 G HN 0.895 nan 8.290 nan 0.000 0.493 147 G N 0.442 109.269 108.800 0.045 0.000 2.588 147 G HA2 0.637 4.597 3.960 -0.000 0.000 0.281 147 G HA3 0.637 4.597 3.960 -0.000 0.000 0.281 147 G C 0.715 175.637 174.900 0.036 0.000 1.236 147 G CA 0.837 45.956 45.100 0.030 0.000 0.969 147 G HN 1.501 nan 8.290 nan 0.000 0.504 148 S N -1.325 114.394 115.700 0.033 0.000 2.614 148 S HA 0.184 4.654 4.470 -0.000 0.000 0.265 148 S C 1.400 176.039 174.600 0.064 0.000 1.303 148 S CA 0.331 58.560 58.200 0.048 0.000 1.000 148 S CB 1.190 64.414 63.200 0.040 0.000 0.935 148 S HN 0.455 nan 8.310 nan 0.000 0.551 149 T N 1.004 115.622 114.554 0.106 0.000 2.759 149 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 149 T C 1.894 176.660 174.700 0.111 0.000 1.042 149 T CA 1.651 63.850 62.100 0.165 0.000 1.140 149 T CB -0.402 68.612 68.868 0.244 0.000 0.864 149 T HN 0.693 nan 8.240 nan 0.000 0.455 150 R N 0.407 120.957 120.500 0.083 0.000 2.083 150 R HA -0.123 4.217 4.340 -0.000 0.000 0.237 150 R C 2.413 178.695 176.300 -0.030 0.000 1.137 150 R CA 1.855 57.967 56.100 0.020 0.000 0.951 150 R CB -0.547 29.764 30.300 0.018 0.000 0.851 150 R HN 0.263 nan 8.270 nan 0.000 0.434 151 T N 0.768 115.313 114.554 -0.014 0.000 2.788 151 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 151 T C 1.734 176.394 174.700 -0.067 0.000 1.044 151 T CA 1.405 63.481 62.100 -0.040 0.000 1.139 151 T CB -0.127 68.726 68.868 -0.025 0.000 0.867 151 T HN 0.395 nan 8.240 nan 0.000 0.454 152 Q N 0.203 119.982 119.800 -0.036 0.000 2.050 152 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 152 Q C 2.707 178.669 176.000 -0.064 0.000 0.980 152 Q CA 1.532 57.318 55.803 -0.029 0.000 0.840 152 Q CB -0.288 28.514 28.738 0.105 0.000 0.898 152 Q HN 0.567 nan 8.270 nan 0.000 0.424 153 A N 1.054 123.764 122.820 -0.183 0.000 1.877 153 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 153 A C 2.001 179.426 177.584 -0.265 0.000 1.186 153 A CA 1.627 53.365 52.037 -0.497 0.000 0.620 153 A CB -0.582 17.931 19.000 -0.812 0.000 0.822 153 A HN 0.290 nan 8.150 nan 0.000 0.443 154 R N -0.272 120.120 120.500 -0.180 0.000 2.096 154 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 154 R C 2.206 178.434 176.300 -0.120 0.000 1.127 154 R CA 1.773 57.796 56.100 -0.129 0.000 0.968 154 R CB -0.319 29.920 30.300 -0.100 0.000 0.861 154 R HN 0.459 nan 8.270 nan 0.000 0.440 155 S N 0.671 116.290 115.700 -0.135 0.000 2.368 155 S HA -0.098 4.371 4.470 -0.000 0.000 0.225 155 S C 1.847 176.354 174.600 -0.155 0.000 1.030 155 S CA 1.318 59.426 58.200 -0.154 0.000 0.999 155 S CB -0.129 62.951 63.200 -0.199 0.000 0.844 155 S HN 0.300 nan 8.310 nan 0.000 0.459 156 I N 1.128 121.611 120.570 -0.145 0.000 2.353 156 I HA -0.108 4.061 4.170 -0.000 0.000 0.248 156 I C 2.199 178.287 176.117 -0.048 0.000 1.119 156 I CA 0.666 61.910 61.300 -0.094 0.000 1.417 156 I CB -0.173 37.823 38.000 -0.007 0.000 1.078 156 I HN 0.241 nan 8.210 nan 0.000 0.421 157 L N 0.533 121.723 121.223 -0.055 0.000 2.083 157 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 157 L C 2.419 179.291 176.870 0.003 0.000 1.083 157 L CA 1.634 56.475 54.840 0.001 0.000 0.752 157 L CB -0.093 41.951 42.059 -0.025 0.000 0.899 157 L HN 0.150 nan 8.230 nan 0.000 0.433 158 I N -0.559 119.983 120.570 -0.047 0.000 2.252 158 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 158 I C 2.356 178.444 176.117 -0.047 0.000 1.102 158 I CA 1.095 62.361 61.300 -0.057 0.000 1.385 158 I CB -0.205 37.740 38.000 -0.092 0.000 1.064 158 I HN 0.256 nan 8.210 nan 0.000 0.414 159 L N 0.314 121.505 121.223 -0.052 0.000 2.012 159 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 159 L C 2.552 179.429 176.870 0.011 0.000 1.073 159 L CA 1.670 56.490 54.840 -0.034 0.000 0.748 159 L CB -0.510 41.520 42.059 -0.048 0.000 0.891 159 L HN 0.229 nan 8.230 nan 0.000 0.431 160 I N -0.638 119.948 120.570 0.026 0.000 2.286 160 I HA -0.321 3.849 4.170 -0.000 0.000 0.248 160 I C 2.616 178.798 176.117 0.109 0.000 1.115 160 I CA 1.360 62.692 61.300 0.053 0.000 1.392 160 I CB -0.221 37.803 38.000 0.040 0.000 1.065 160 I HN 0.364 nan 8.210 nan 0.000 0.418 161 Q N -0.163 119.720 119.800 0.138 0.000 2.137 161 Q HA -0.041 4.299 4.340 -0.000 0.000 0.198 161 Q C 2.175 178.328 176.000 0.255 0.000 0.960 161 Q CA 1.104 57.058 55.803 0.251 0.000 0.847 161 Q CB 0.038 28.933 28.738 0.261 0.000 0.915 161 Q HN 0.532 nan 8.270 nan 0.000 0.448 162 M N -0.498 119.064 119.600 -0.063 0.000 2.556 162 M HA 0.070 4.549 4.480 -0.000 0.000 0.245 162 M C 1.311 177.579 176.300 -0.053 0.000 1.128 162 M CA 0.816 55.776 55.300 -0.566 0.000 1.069 162 M CB 0.365 32.596 32.600 -0.614 0.000 1.469 162 M HN 0.193 nan 8.290 nan 0.000 0.494 163 I N -1.802 118.813 120.570 0.074 0.000 4.083 163 I HA 0.003 4.173 4.170 -0.000 0.000 0.240 163 I C 2.168 178.320 176.117 0.059 0.000 1.088 163 I CA 0.201 61.571 61.300 0.116 0.000 1.651 163 I CB -0.362 37.724 38.000 0.143 0.000 1.573 163 I HN -0.025 nan 8.210 nan 0.000 0.451 164 S N 1.034 116.755 115.700 0.035 0.000 2.353 164 S HA -0.173 4.297 4.470 -0.000 0.000 0.222 164 S C 1.785 176.360 174.600 -0.042 0.000 1.035 164 S CA 1.492 59.673 58.200 -0.031 0.000 1.025 164 S CB -0.315 62.861 63.200 -0.040 0.000 0.902 164 S HN 0.352 nan 8.310 nan 0.000 0.440 165 E N 1.318 121.566 120.200 0.079 0.000 2.204 165 E HA -0.004 4.346 4.350 -0.000 0.000 0.194 165 E C 2.196 178.945 176.600 0.247 0.000 0.989 165 E CA 0.948 57.448 56.400 0.167 0.000 0.824 165 E CB -0.415 29.460 29.700 0.290 0.000 0.756 165 E HN 0.523 nan 8.360 nan 0.000 0.477 166 A N 1.158 124.155 122.820 0.294 0.000 1.970 166 A HA 0.095 4.415 4.320 -0.000 0.000 0.216 166 A C 2.370 180.034 177.584 0.133 0.000 1.170 166 A CA 1.362 53.614 52.037 0.358 0.000 0.645 166 A CB -0.290 19.023 19.000 0.520 0.000 0.816 166 A HN 0.239 nan 8.150 nan 0.000 0.447 167 A N 0.177 123.000 122.820 0.006 0.000 1.930 167 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 167 A C 2.231 179.739 177.584 -0.126 0.000 1.175 167 A CA 1.461 53.440 52.037 -0.097 0.000 0.627 167 A CB -0.344 18.573 19.000 -0.138 0.000 0.815 167 A HN 0.559 nan 8.150 nan 0.000 0.443 168 R N -2.470 117.902 120.500 -0.213 0.000 2.127 168 R HA 0.181 4.521 4.340 -0.000 0.000 0.217 168 R C -0.697 175.307 176.300 -0.493 0.000 1.074 168 R CA 0.430 56.253 56.100 -0.462 0.000 0.991 168 R CB 0.071 29.781 30.300 -0.983 0.000 0.895 168 R HN 0.431 nan 8.270 nan 0.000 0.450 169 F N 0.701 120.676 119.950 0.042 0.000 2.507 169 F HA 0.313 4.839 4.527 -0.000 0.000 0.328 169 F C 0.731 176.609 175.800 0.128 0.000 1.136 169 F CA -1.236 56.816 58.000 0.086 0.000 0.930 169 F CB 1.460 40.493 39.000 0.056 0.000 1.166 169 F HN -0.240 nan 8.300 nan 0.000 0.436 170 N N 3.658 122.541 118.700 0.306 0.000 2.120 170 N HA -0.104 4.636 4.740 -0.000 0.000 0.188 170 N C -0.978 174.681 175.510 0.247 0.000 1.024 170 N CA 1.460 54.680 53.050 0.284 0.000 0.852 170 N CB -0.903 37.674 38.487 0.149 0.000 1.003 170 N HN 0.373 nan 8.380 nan 0.000 0.424 171 P HA -0.051 nan 4.420 nan 0.000 0.218 171 P C 1.549 178.959 177.300 0.183 0.000 1.148 171 P CA 0.905 64.093 63.100 0.147 0.000 0.822 171 P CB 0.031 31.838 31.700 0.178 0.000 0.784 172 I N -1.651 119.042 120.570 0.204 0.000 2.333 172 I HA -0.152 4.018 4.170 -0.000 0.000 0.246 172 I C 2.222 178.483 176.117 0.240 0.000 1.106 172 I CA 0.667 62.036 61.300 0.116 0.000 1.411 172 I CB -0.551 37.563 38.000 0.189 0.000 1.082 172 I HN -0.078 nan 8.210 nan 0.000 0.420 173 L N 0.545 122.041 121.223 0.456 0.000 2.017 173 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 173 L C 2.126 179.409 176.870 0.688 0.000 1.073 173 L CA 2.035 57.243 54.840 0.613 0.000 0.745 173 L CB -0.784 41.549 42.059 0.456 0.000 0.894 173 L HN 0.188 nan 8.230 nan 0.000 0.432 174 W N 0.165 121.667 121.300 0.337 0.000 2.388 174 W HA -0.070 4.590 4.660 -0.000 0.000 0.294 174 W C 2.989 179.592 176.519 0.141 0.000 1.212 174 W CA 1.622 59.127 57.345 0.266 0.000 1.271 174 W CB -0.606 28.965 29.460 0.186 0.000 1.126 174 W HN 0.143 nan 8.180 nan 0.000 0.535 175 R N -0.746 119.912 120.500 0.262 0.000 2.073 175 R HA -0.198 4.142 4.340 -0.000 0.000 0.234 175 R C 2.159 178.432 176.300 -0.045 0.000 1.134 175 R CA 1.947 58.047 56.100 0.001 0.000 0.952 175 R CB -0.975 29.213 30.300 -0.187 0.000 0.850 175 R HN 0.212 nan 8.270 nan 0.000 0.433 176 Y N -0.080 120.320 120.300 0.167 0.000 2.165 176 Y HA -0.295 4.255 4.550 -0.000 0.000 0.286 176 Y C 2.701 178.618 175.900 0.028 0.000 1.155 176 Y CA 1.666 59.831 58.100 0.109 0.000 1.164 176 Y CB -0.218 38.308 38.460 0.109 0.000 0.978 176 Y HN 0.142 nan 8.280 nan 0.000 0.513 177 R N 0.756 121.477 120.500 0.368 0.000 2.083 177 R HA -0.276 4.064 4.340 -0.000 0.000 0.237 177 R C 2.398 178.747 176.300 0.082 0.000 1.137 177 R CA 2.059 58.318 56.100 0.265 0.000 0.951 177 R CB -0.426 30.035 30.300 0.267 0.000 0.851 177 R HN 0.436 nan 8.270 nan 0.000 0.434 178 Q N -0.650 119.164 119.800 0.024 0.000 2.077 178 Q HA -0.239 4.101 4.340 -0.000 0.000 0.206 178 Q C 1.609 177.496 176.000 -0.189 0.000 0.989 178 Q CA 2.037 57.760 55.803 -0.133 0.000 0.853 178 Q CB -0.178 28.421 28.738 -0.232 0.000 0.907 178 Q HN 0.521 nan 8.270 nan 0.000 0.418 179 Y N -0.080 120.172 120.300 -0.080 0.000 2.337 179 Y HA -0.026 4.524 4.550 -0.000 0.000 0.293 179 Y C 2.048 177.967 175.900 0.031 0.000 1.123 179 Y CA 0.638 58.722 58.100 -0.027 0.000 1.201 179 Y CB 0.114 38.556 38.460 -0.030 0.000 1.011 179 Y HN 0.115 nan 8.280 nan 0.000 0.545 180 I N -0.010 120.651 120.570 0.152 0.000 2.335 180 I HA -0.338 3.832 4.170 -0.000 0.000 0.251 180 I C 1.978 178.127 176.117 0.054 0.000 1.129 180 I CA 1.113 62.452 61.300 0.065 0.000 1.402 180 I CB -0.244 37.727 38.000 -0.049 0.000 1.069 180 I HN 0.272 nan 8.210 nan 0.000 0.424 181 N N 0.299 119.016 118.700 0.029 0.000 2.142 181 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 181 N C 2.026 177.536 175.510 0.001 0.000 1.023 181 N CA 1.824 54.876 53.050 0.003 0.000 0.852 181 N CB -0.130 38.336 38.487 -0.036 0.000 0.998 181 N HN 0.364 nan 8.380 nan 0.000 0.424 182 S N -1.409 114.283 115.700 -0.013 0.000 2.496 182 S HA 0.182 4.651 4.470 -0.000 0.000 0.224 182 S C 1.531 176.172 174.600 0.068 0.000 0.996 182 S CA 0.824 59.024 58.200 -0.000 0.000 0.927 182 S CB 0.122 63.284 63.200 -0.064 0.000 0.774 182 S HN 0.418 nan 8.310 nan 0.000 0.524 183 G N 1.011 109.879 108.800 0.113 0.000 2.184 183 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.264 183 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.264 183 G C 0.271 175.279 174.900 0.180 0.000 0.975 183 G CA 0.106 45.294 45.100 0.147 0.000 0.642 183 G HN 1.273 nan 8.290 nan 0.000 0.536 184 A N -0.011 122.953 122.820 0.240 0.000 2.322 184 A HA 0.793 5.113 4.320 -0.000 0.000 0.269 184 A C 0.763 178.553 177.584 0.343 0.000 1.094 184 A CA 0.822 53.041 52.037 0.303 0.000 0.807 184 A CB 0.672 19.910 19.000 0.397 0.000 1.047 184 A HN 1.048 nan 8.150 nan 0.000 0.487 185 S N -0.116 115.708 115.700 0.207 0.000 2.646 185 S HA 0.780 5.250 4.470 -0.000 0.000 0.276 185 S C -0.535 174.092 174.600 0.045 0.000 1.222 185 S CA -0.227 58.043 58.200 0.116 0.000 1.014 185 S CB 0.761 63.978 63.200 0.028 0.000 0.991 185 S HN 0.935 nan 8.310 nan 0.000 0.533 186 F N -1.094 118.665 119.950 -0.318 0.000 2.685 186 F HA 0.753 5.280 4.527 -0.000 0.000 0.315 186 F C -2.042 173.622 175.800 -0.227 0.000 1.126 186 F CA -1.517 56.230 58.000 -0.422 0.000 0.950 186 F CB 0.666 39.070 39.000 -0.993 0.000 1.360 186 F HN 0.341 nan 8.300 nan 0.000 0.469 187 L N 2.689 123.820 121.223 -0.153 0.000 2.329 187 L HA 0.585 4.925 4.340 -0.000 0.000 0.279 187 L C -2.358 174.502 176.870 -0.017 0.000 1.014 187 L CA -2.072 52.662 54.840 -0.178 0.000 0.814 187 L CB 1.975 43.985 42.059 -0.081 0.000 1.257 187 L HN 0.437 nan 8.230 nan 0.000 0.424 188 P HA 0.048 nan 4.420 nan 0.000 0.268 188 P C -1.245 176.074 177.300 0.032 0.000 1.205 188 P CA -0.263 62.857 63.100 0.033 0.000 0.771 188 P CB 0.386 32.067 31.700 -0.032 0.000 0.858 189 D N 1.218 121.658 120.400 0.066 0.000 2.466 189 D HA 0.034 4.674 4.640 -0.000 0.000 0.262 189 D C 1.245 177.569 176.300 0.039 0.000 1.177 189 D CA -0.742 53.291 54.000 0.056 0.000 1.035 189 D CB 0.023 40.874 40.800 0.085 0.000 1.105 189 D HN 0.027 nan 8.370 nan 0.000 0.551 190 V N -0.298 119.645 119.914 0.049 0.000 2.252 190 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 190 V C 2.198 178.335 176.094 0.072 0.000 1.056 190 V CA 2.090 64.419 62.300 0.048 0.000 1.022 190 V CB -1.143 30.718 31.823 0.063 0.000 0.641 190 V HN 0.601 nan 8.190 nan 0.000 0.445 191 Y N 0.279 120.569 120.300 -0.017 0.000 2.053 191 Y HA -0.369 4.181 4.550 -0.000 0.000 0.277 191 Y C 2.655 178.513 175.900 -0.070 0.000 1.159 191 Y CA 2.472 60.552 58.100 -0.033 0.000 1.125 191 Y CB -0.503 37.940 38.460 -0.027 0.000 0.969 191 Y HN 0.235 nan 8.280 nan 0.000 0.492 192 M N -0.451 119.093 119.600 -0.093 0.000 2.073 192 M HA -0.275 4.205 4.480 -0.000 0.000 0.258 192 M C 2.045 178.223 176.300 -0.203 0.000 1.070 192 M CA 2.301 57.484 55.300 -0.195 0.000 1.103 192 M CB -0.472 32.106 32.600 -0.037 0.000 1.321 192 M HN 0.425 nan 8.290 nan 0.000 0.405 193 L N -0.346 120.808 121.223 -0.115 0.000 2.083 193 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 193 L C 2.163 178.966 176.870 -0.112 0.000 1.083 193 L CA 1.530 56.300 54.840 -0.117 0.000 0.752 193 L CB -0.723 41.281 42.059 -0.092 0.000 0.899 193 L HN 0.421 nan 8.230 nan 0.000 0.433 194 E N -0.234 119.893 120.200 -0.122 0.000 2.299 194 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 194 E C 2.335 178.832 176.600 -0.172 0.000 0.998 194 E CA 0.266 56.613 56.400 -0.089 0.000 0.851 194 E CB 0.139 29.821 29.700 -0.029 0.000 0.795 194 E HN 0.418 nan 8.360 nan 0.000 0.492 195 L N 0.883 121.858 121.223 -0.413 0.000 1.994 195 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 195 L C 2.233 178.873 176.870 -0.382 0.000 1.071 195 L CA 1.429 55.850 54.840 -0.699 0.000 0.745 195 L CB -0.325 40.949 42.059 -1.309 0.000 0.892 195 L HN 0.165 nan 8.230 nan 0.000 0.431 196 E N -0.470 119.615 120.200 -0.192 0.000 2.070 196 E HA -0.249 4.101 4.350 -0.000 0.000 0.197 196 E C 1.876 178.680 176.600 0.340 0.000 1.004 196 E CA 2.059 58.585 56.400 0.210 0.000 0.805 196 E CB -0.150 29.701 29.700 0.252 0.000 0.744 196 E HN 0.595 nan 8.360 nan 0.000 0.451 197 T N -1.716 112.969 114.554 0.219 0.000 3.100 197 T HA 0.017 4.367 4.350 -0.000 0.000 0.253 197 T C 1.672 176.505 174.700 0.221 0.000 1.118 197 T CA 0.654 62.907 62.100 0.254 0.000 1.058 197 T CB 0.161 69.138 68.868 0.182 0.000 0.953 197 T HN 0.089 nan 8.240 nan 0.000 0.515 198 S N -1.150 114.675 115.700 0.208 0.000 2.557 198 S HA 0.118 4.588 4.470 -0.000 0.000 0.223 198 S C 1.304 176.081 174.600 0.296 0.000 0.969 198 S CA -0.708 57.605 58.200 0.189 0.000 0.927 198 S CB -0.635 62.636 63.200 0.120 0.000 0.806 198 S HN 0.604 nan 8.310 nan 0.000 0.489 199 W N 3.125 124.579 121.300 0.256 0.000 2.317 199 W HA -0.008 4.652 4.660 -0.000 0.000 0.318 199 W C 2.165 178.744 176.519 0.101 0.000 1.227 199 W CA 1.814 59.327 57.345 0.280 0.000 1.269 199 W CB -0.982 28.644 29.460 0.277 0.000 1.155 199 W HN 0.332 nan 8.180 nan 0.000 0.484 200 G N -0.510 108.239 108.800 -0.085 0.000 2.422 200 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 200 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 200 G C 1.383 176.125 174.900 -0.264 0.000 1.146 200 G CA 1.072 45.981 45.100 -0.319 0.000 0.769 200 G HN 0.440 nan 8.290 nan 0.000 0.547 201 Q N -0.304 119.420 119.800 -0.126 0.000 2.084 201 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 201 Q C 2.787 178.651 176.000 -0.227 0.000 0.978 201 Q CA 1.305 57.022 55.803 -0.144 0.000 0.844 201 Q CB -0.150 28.554 28.738 -0.057 0.000 0.898 201 Q HN 0.573 nan 8.270 nan 0.000 0.426 202 Q N -0.180 119.530 119.800 -0.148 0.000 2.050 202 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 202 Q C 2.295 178.119 176.000 -0.294 0.000 0.980 202 Q CA 1.489 57.201 55.803 -0.151 0.000 0.840 202 Q CB -0.018 28.771 28.738 0.086 0.000 0.898 202 Q HN 0.239 nan 8.270 nan 0.000 0.424 203 S N 0.333 115.804 115.700 -0.381 0.000 2.370 203 S HA -0.152 4.318 4.470 -0.000 0.000 0.226 203 S C 2.056 176.382 174.600 -0.457 0.000 1.033 203 S CA 1.687 59.622 58.200 -0.442 0.000 1.011 203 S CB -0.385 62.432 63.200 -0.639 0.000 0.852 203 S HN 0.428 nan 8.310 nan 0.000 0.457 204 T N 1.948 116.210 114.554 -0.487 0.000 2.737 204 T HA -0.072 4.278 4.350 -0.000 0.000 0.265 204 T C 1.967 176.251 174.700 -0.693 0.000 1.038 204 T CA 0.963 62.686 62.100 -0.628 0.000 1.144 204 T CB -0.303 68.266 68.868 -0.498 0.000 0.866 204 T HN 0.214 nan 8.240 nan 0.000 0.434 205 Q N 0.663 120.095 119.800 -0.614 0.000 2.096 205 Q HA -0.053 4.287 4.340 -0.000 0.000 0.204 205 Q C 2.629 178.187 176.000 -0.737 0.000 0.982 205 Q CA 0.994 56.312 55.803 -0.808 0.000 0.850 205 Q CB -0.970 26.952 28.738 -1.359 0.000 0.901 205 Q HN 0.393 nan 8.270 nan 0.000 0.422 206 V N 0.956 120.545 119.914 -0.542 0.000 2.343 206 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 206 V C 2.251 178.267 176.094 -0.129 0.000 1.051 206 V CA 1.891 64.098 62.300 -0.154 0.000 1.036 206 V CB -0.483 31.308 31.823 -0.053 0.000 0.654 206 V HN 0.405 nan 8.190 nan 0.000 0.451 207 Q N -1.128 118.523 119.800 -0.249 0.000 2.230 207 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 207 Q C 1.869 177.866 176.000 -0.005 0.000 0.963 207 Q CA 1.263 56.958 55.803 -0.179 0.000 0.866 207 Q CB -0.087 28.472 28.738 -0.299 0.000 0.931 207 Q HN 0.778 nan 8.270 nan 0.000 0.452 208 H N -0.201 118.792 119.070 -0.129 0.000 2.539 208 H HA 0.112 4.668 4.556 -0.000 0.000 0.269 208 H C 0.673 175.979 175.328 -0.036 0.000 0.980 208 H CA -0.379 55.617 56.048 -0.086 0.000 1.152 208 H CB 0.483 30.186 29.762 -0.099 0.000 1.407 208 H HN 0.112 nan 8.280 nan 0.000 0.564 209 S N 1.099 116.858 115.700 0.099 0.000 2.566 209 S HA 0.014 4.484 4.470 -0.000 0.000 0.280 209 S C 0.419 175.085 174.600 0.109 0.000 1.343 209 S CA -0.421 57.870 58.200 0.152 0.000 1.036 209 S CB 1.223 64.574 63.200 0.252 0.000 0.866 209 S HN 0.094 nan 8.310 nan 0.000 0.526 210 T N 2.591 117.210 114.554 0.107 0.000 2.788 210 T HA 0.347 4.697 4.350 -0.000 0.000 0.296 210 T C -0.635 174.099 174.700 0.057 0.000 1.009 210 T CA -0.334 61.805 62.100 0.066 0.000 0.949 210 T CB 0.370 69.269 68.868 0.051 0.000 0.946 210 T HN 0.710 nan 8.240 nan 0.000 0.453 211 D N 2.702 123.128 120.400 0.044 0.000 2.811 211 D HA -0.209 4.431 4.640 -0.000 0.000 0.231 211 D C 1.336 177.658 176.300 0.036 0.000 1.157 211 D CA 1.980 55.999 54.000 0.033 0.000 0.716 211 D CB -1.286 39.527 40.800 0.021 0.000 1.077 211 D HN 1.165 nan 8.370 nan 0.000 0.428 212 G N -2.443 106.394 108.800 0.062 0.000 2.195 212 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.246 212 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.246 212 G C 0.373 175.315 174.900 0.069 0.000 0.984 212 G CA 0.154 45.295 45.100 0.068 0.000 0.633 212 G HN 0.608 nan 8.290 nan 0.000 0.525 213 V N 2.787 122.751 119.914 0.083 0.000 2.461 213 V HA 0.522 4.642 4.120 -0.000 0.000 0.275 213 V C 0.616 176.865 176.094 0.257 0.000 1.047 213 V CA -0.807 61.543 62.300 0.082 0.000 0.955 213 V CB 0.746 32.600 31.823 0.052 0.000 0.988 213 V HN 0.167 nan 8.190 nan 0.000 0.471 214 F N 4.150 124.111 119.950 0.018 0.000 2.504 214 F HA 0.247 4.774 4.527 -0.000 0.000 0.369 214 F C 1.661 177.475 175.800 0.022 0.000 1.082 214 F CA -0.602 57.410 58.000 0.019 0.000 1.216 214 F CB 0.093 39.103 39.000 0.016 0.000 1.108 214 F HN 0.530 nan 8.300 nan 0.000 0.554 215 N N 2.436 121.245 118.700 0.181 0.000 2.457 215 N HA -0.091 4.649 4.740 -0.000 0.000 0.180 215 N C -0.468 175.098 175.510 0.094 0.000 1.050 215 N CA 0.646 53.762 53.050 0.110 0.000 0.906 215 N CB 0.093 38.625 38.487 0.074 0.000 0.968 215 N HN 0.543 nan 8.380 nan 0.000 0.445 216 N N 0.561 119.318 118.700 0.095 0.000 2.609 216 N HA 0.288 5.028 4.740 -0.000 0.000 0.268 216 N C -2.875 172.702 175.510 0.112 0.000 1.106 216 N CA -1.004 52.089 53.050 0.073 0.000 0.823 216 N CB 2.222 40.725 38.487 0.027 0.000 1.263 216 N HN -0.073 nan 8.380 nan 0.000 0.533 217 P HA 0.076 nan 4.420 nan 0.000 0.267 217 P C -0.567 176.815 177.300 0.136 0.000 1.200 217 P CA 0.155 63.378 63.100 0.205 0.000 0.772 217 P CB 0.854 32.629 31.700 0.125 0.000 0.855 218 I N 3.276 123.954 120.570 0.179 0.000 2.339 218 I HA 0.297 4.467 4.170 -0.000 0.000 0.290 218 I C 0.661 176.829 176.117 0.086 0.000 0.994 218 I CA -0.666 60.701 61.300 0.111 0.000 1.191 218 I CB 0.901 38.983 38.000 0.138 0.000 1.343 218 I HN 0.064 nan 8.210 nan 0.000 0.458 219 R N 7.567 128.072 120.500 0.009 0.000 2.229 219 R HA 0.577 4.917 4.340 -0.000 0.000 0.328 219 R C -0.995 175.318 176.300 0.021 0.000 1.009 219 R CA -0.645 55.436 56.100 -0.033 0.000 0.864 219 R CB 1.086 31.206 30.300 -0.299 0.000 1.085 219 R HN 0.569 nan 8.270 nan 0.000 0.453 220 L N 2.126 123.422 121.223 0.122 0.000 2.307 220 L HA 0.496 4.836 4.340 -0.000 0.000 0.284 220 L C 0.599 177.600 176.870 0.218 0.000 1.023 220 L CA -1.047 53.882 54.840 0.149 0.000 0.810 220 L CB 1.795 43.965 42.059 0.186 0.000 1.231 220 L HN 0.586 nan 8.230 nan 0.000 0.423 221 A N 5.197 128.126 122.820 0.181 0.000 2.498 221 A HA 0.546 4.866 4.320 -0.000 0.000 0.239 221 A C -0.207 177.483 177.584 0.176 0.000 1.068 221 A CA 0.175 52.336 52.037 0.206 0.000 0.766 221 A CB 0.080 19.166 19.000 0.143 0.000 1.003 221 A HN 0.641 nan 8.150 nan 0.000 0.497 222 I N 4.219 124.870 120.570 0.136 0.000 2.500 222 I HA 0.229 4.399 4.170 -0.000 0.000 0.286 222 I C -1.682 174.455 176.117 0.033 0.000 1.063 222 I CA -1.660 59.683 61.300 0.072 0.000 1.062 222 I CB 2.285 40.293 38.000 0.014 0.000 1.223 222 I HN 0.497 nan 8.210 nan 0.000 0.435 223 P HA -0.175 nan 4.420 nan 0.000 0.219 223 P C -1.160 176.140 177.300 0.000 0.000 1.158 223 P CA 2.044 65.156 63.100 0.020 0.000 0.895 223 P CB -1.204 30.506 31.700 0.018 0.000 0.792 224 P HA -0.207 nan 4.420 nan 0.000 0.223 224 P C 1.099 178.376 177.300 -0.039 0.000 1.153 224 P CA 2.802 65.883 63.100 -0.032 0.000 0.853 224 P CB -0.781 30.889 31.700 -0.050 0.000 0.777 225 G N -2.112 106.664 108.800 -0.041 0.000 2.174 225 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.140 225 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.140 225 G C -0.140 174.694 174.900 -0.109 0.000 1.031 225 G CA -0.118 44.953 45.100 -0.048 0.000 0.728 225 G HN 0.549 nan 8.290 nan 0.000 0.496 226 N N -0.416 118.200 118.700 -0.141 0.000 3.204 226 N HA 0.807 5.547 4.740 -0.000 0.000 0.285 226 N C -0.790 174.597 175.510 -0.206 0.000 1.536 226 N CA -0.812 52.025 53.050 -0.356 0.000 0.832 226 N CB 1.317 39.597 38.487 -0.345 0.000 1.645 226 N HN 0.322 nan 8.380 nan 0.000 0.586 227 F N -1.785 118.171 119.950 0.010 0.000 2.640 227 F HA 0.747 5.274 4.527 -0.000 0.000 0.324 227 F C -0.263 175.548 175.800 0.018 0.000 1.077 227 F CA -1.326 56.687 58.000 0.023 0.000 0.965 227 F CB 0.834 39.855 39.000 0.033 0.000 1.351 227 F HN 0.241 nan 8.300 nan 0.000 0.487 228 V N 0.518 120.603 119.914 0.285 0.000 2.612 228 V HA 0.726 4.846 4.120 -0.000 0.000 0.301 228 V C -0.781 175.455 176.094 0.236 0.000 1.046 228 V CA -0.056 62.361 62.300 0.195 0.000 0.946 228 V CB 1.825 33.722 31.823 0.124 0.000 1.003 228 V HN 0.939 nan 8.190 nan 0.000 0.459 229 T N 7.955 122.620 114.554 0.185 0.000 2.786 229 T HA 0.510 4.860 4.350 -0.000 0.000 0.283 229 T C -0.406 174.356 174.700 0.103 0.000 0.992 229 T CA -0.264 61.922 62.100 0.143 0.000 0.954 229 T CB 0.929 69.878 68.868 0.134 0.000 0.934 229 T HN 0.583 nan 8.240 nan 0.000 0.440 230 L N 3.966 125.268 121.223 0.131 0.000 2.268 230 L HA 0.344 4.683 4.340 -0.000 0.000 0.289 230 L C 1.556 178.443 176.870 0.028 0.000 1.064 230 L CA -0.488 54.420 54.840 0.114 0.000 0.824 230 L CB 0.434 42.673 42.059 0.301 0.000 1.202 230 L HN 0.852 nan 8.230 nan 0.000 0.433 231 T N -1.769 112.649 114.554 -0.226 0.000 2.985 231 T HA 0.139 4.489 4.350 -0.000 0.000 0.254 231 T C 0.555 174.826 174.700 -0.715 0.000 1.021 231 T CA -0.248 61.690 62.100 -0.269 0.000 0.957 231 T CB 0.283 69.084 68.868 -0.112 0.000 1.047 231 T HN 0.485 nan 8.240 nan 0.000 0.511 232 N N -0.178 117.862 118.700 -1.101 0.000 2.591 232 N HA 0.244 4.984 4.740 -0.000 0.000 0.263 232 N C 0.788 175.788 175.510 -0.850 0.000 1.308 232 N CA -0.355 52.181 53.050 -0.856 0.000 0.837 232 N CB 2.119 40.401 38.487 -0.341 0.000 1.548 232 N HN -0.143 nan 8.380 nan 0.000 0.493 233 V N 2.669 122.395 119.914 -0.313 0.000 2.380 233 V HA -0.196 3.924 4.120 -0.000 0.000 0.251 233 V C 2.416 178.490 176.094 -0.033 0.000 1.063 233 V CA 1.801 64.104 62.300 0.006 0.000 1.055 233 V CB -0.475 31.409 31.823 0.102 0.000 0.657 233 V HN 0.619 nan 8.190 nan 0.000 0.455 234 R N -0.011 120.439 120.500 -0.084 0.000 2.127 234 R HA -0.157 4.183 4.340 -0.000 0.000 0.238 234 R C 1.884 178.156 176.300 -0.046 0.000 1.134 234 R CA 1.558 57.629 56.100 -0.049 0.000 0.975 234 R CB -0.303 29.963 30.300 -0.056 0.000 0.865 234 R HN 0.572 nan 8.270 nan 0.000 0.447 235 D N -0.589 119.752 120.400 -0.098 0.000 2.348 235 D HA -0.091 4.549 4.640 -0.000 0.000 0.216 235 D C 1.471 177.801 176.300 0.050 0.000 0.970 235 D CA 1.071 55.047 54.000 -0.040 0.000 0.889 235 D CB 0.391 41.144 40.800 -0.078 0.000 0.912 235 D HN 0.275 nan 8.370 nan 0.000 0.524 236 V N -2.023 117.944 119.914 0.089 0.000 3.432 236 V HA 0.197 4.317 4.120 -0.000 0.000 0.298 236 V C 1.879 178.062 176.094 0.147 0.000 1.464 236 V CA -0.330 62.072 62.300 0.171 0.000 1.046 236 V CB -0.046 31.937 31.823 0.266 0.000 0.887 236 V HN -0.114 nan 8.190 nan 0.000 0.441 237 I N 2.606 123.236 120.570 0.101 0.000 2.335 237 I HA -0.107 4.063 4.170 -0.000 0.000 0.251 237 I C 2.328 178.499 176.117 0.090 0.000 1.129 237 I CA 2.251 63.605 61.300 0.091 0.000 1.402 237 I CB -0.262 37.774 38.000 0.060 0.000 1.069 237 I HN 0.327 nan 8.210 nan 0.000 0.424 238 A N -1.191 121.674 122.820 0.075 0.000 2.123 238 A HA -0.004 4.316 4.320 -0.000 0.000 0.214 238 A C 2.338 179.970 177.584 0.080 0.000 1.152 238 A CA 1.204 53.276 52.037 0.058 0.000 0.728 238 A CB -0.594 18.414 19.000 0.013 0.000 0.814 238 A HN 0.555 nan 8.150 nan 0.000 0.464 239 S N -1.360 114.421 115.700 0.136 0.000 2.599 239 S HA 0.216 4.686 4.470 -0.000 0.000 0.236 239 S C 0.435 175.208 174.600 0.288 0.000 1.077 239 S CA -0.058 58.264 58.200 0.203 0.000 0.906 239 S CB -0.542 62.804 63.200 0.244 0.000 0.804 239 S HN 0.351 nan 8.310 nan 0.000 0.497 240 L N 2.919 124.301 121.223 0.266 0.000 2.485 240 L HA 0.637 4.977 4.340 -0.000 0.000 0.279 240 L C 0.969 177.886 176.870 0.078 0.000 1.124 240 L CA 0.226 55.162 54.840 0.161 0.000 0.888 240 L CB 0.468 42.642 42.059 0.193 0.000 1.217 240 L HN 0.335 nan 8.230 nan 0.000 0.464 241 A N 6.040 128.863 122.820 0.005 0.000 2.044 241 A HA 0.323 4.643 4.320 -0.000 0.000 0.213 241 A C 0.726 178.322 177.584 0.021 0.000 1.169 241 A CA 0.642 52.699 52.037 0.032 0.000 0.724 241 A CB -0.016 18.997 19.000 0.020 0.000 0.840 241 A HN 0.676 nan 8.150 nan 0.000 0.463 242 I N -1.327 119.252 120.570 0.015 0.000 2.908 242 I HA 0.491 4.661 4.170 -0.000 0.000 0.300 242 I C -1.792 174.440 176.117 0.192 0.000 1.385 242 I CA -0.992 60.340 61.300 0.054 0.000 1.004 242 I CB 1.858 39.870 38.000 0.020 0.000 1.309 242 I HN 0.161 nan 8.210 nan 0.000 0.449 243 M N 6.000 125.660 119.600 0.100 0.000 2.602 243 M HA 0.420 4.900 4.480 -0.000 0.000 0.312 243 M C -1.104 175.145 176.300 -0.084 0.000 1.181 243 M CA -0.988 54.284 55.300 -0.048 0.000 0.910 243 M CB 2.069 34.550 32.600 -0.198 0.000 1.723 243 M HN 0.422 nan 8.290 nan 0.000 0.459 244 L N 1.998 122.947 121.223 -0.456 0.000 2.499 244 L HA 0.161 4.501 4.340 -0.000 0.000 0.273 244 L C -0.912 175.825 176.870 -0.222 0.000 1.195 244 L CA 0.580 55.187 54.840 -0.387 0.000 0.882 244 L CB -0.063 41.529 42.059 -0.779 0.000 1.133 244 L HN 0.491 nan 8.230 nan 0.000 0.483 245 F N 5.098 124.932 119.950 -0.193 0.000 2.506 245 F HA 0.222 4.749 4.527 -0.000 0.000 0.371 245 F C 0.749 176.455 175.800 -0.156 0.000 1.078 245 F CA 0.244 58.150 58.000 -0.157 0.000 1.195 245 F CB 0.737 39.664 39.000 -0.121 0.000 1.099 245 F HN 0.324 nan 8.300 nan 0.000 0.548 246 V N 4.507 124.281 119.914 -0.234 0.000 3.539 246 V HA -0.011 4.109 4.120 -0.000 0.000 0.262 246 V C 0.812 176.897 176.094 -0.014 0.000 1.381 246 V CA 0.206 62.440 62.300 -0.110 0.000 1.060 246 V CB 0.100 31.771 31.823 -0.252 0.000 0.842 246 V HN 0.816 nan 8.190 nan 0.000 0.445 247 C N 0.714 119.931 119.300 -0.138 0.000 2.640 247 C HA 0.408 4.868 4.460 -0.000 0.000 0.330 247 C C 2.482 177.604 174.990 0.220 0.000 1.416 247 C CA 0.400 59.433 59.018 0.026 0.000 2.396 247 C CB 0.174 27.854 27.740 -0.099 0.000 2.330 247 C HN 0.593 nan 8.230 nan 0.000 0.704 248 G N -0.301 108.590 108.800 0.151 0.000 2.739 248 G HA2 0.001 3.961 3.960 -0.000 0.000 0.216 248 G HA3 0.001 3.961 3.960 -0.000 0.000 0.216 248 G C 0.274 175.257 174.900 0.138 0.000 1.298 248 G CA 1.826 46.997 45.100 0.118 0.000 0.804 248 G HN 0.896 nan 8.290 nan 0.000 0.623 249 E N 0.000 120.288 120.200 0.147 0.000 2.725 249 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 249 E CA 0.000 56.434 56.400 0.056 0.000 0.976 249 E CB 0.000 29.692 29.700 -0.014 0.000 0.812 249 E HN 0.000 nan 8.360 nan 0.000 0.440