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 2nww_1_C DATA FIRST_RESID 10 DATA SEQUENCE YPVLQKILIG LILGAIVGLI LGHYGYAHAV HTYVKPFGDL FVRLLKMLVM DATA SEQUENCE PIVFASLVVG AASISPARLG RVGVKIVVYY LLTSAFAVTL GIIMARLFNP DATA SEQUENCE GAGIHLAVGG QQFQPHQAPP LVHILLDIVP TNPFGALANG QVLPTIFFAI DATA SEQUENCE ILGIAITYLM NSENEKVRKS AETLLDAING LAEAMYKIVN GVMQYAPIGV DATA SEQUENCE FALIAYVMAE QGVHVVGELA KVTAAVYVGL TLQILLVYFV LLKIYGIDPI DATA SEQUENCE SFIKHAKDAM LTAFVTRSSS GTLPVTMRVA KEMGISEGIY SFTLPLGATI DATA SEQUENCE NMDGTALYQG VCTFFIANAL GSHLTVGQQL TIVLTAVLAS IGTAGVPGAG DATA SEQUENCE AIMLAMVLHS VGLPLTDPNV AAAYAMILGI DAILDMGRTM VNVTGDLTGT DATA SEQUENCE AIVAKTE 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 10 Y HA 0.000 nan 4.550 nan 0.000 0.201 10 Y C 0.000 175.885 175.900 -0.025 0.000 1.272 10 Y CA 0.000 58.086 58.100 -0.024 0.000 1.940 10 Y CB 0.000 38.444 38.460 -0.026 0.000 1.050 11 P HA -0.100 nan 4.420 nan 0.000 0.216 11 P C 0.211 177.539 177.300 0.046 0.000 1.157 11 P CA 2.023 65.159 63.100 0.060 0.000 0.880 11 P CB -0.206 31.514 31.700 0.033 0.000 0.791 12 V N -1.216 118.728 119.914 0.051 0.000 3.688 12 V HA -0.267 3.852 4.120 -0.002 0.000 0.524 12 V C 0.969 177.064 176.094 0.003 0.000 0.682 12 V CA 0.879 63.197 62.300 0.030 0.000 2.081 12 V CB -1.610 30.248 31.823 0.060 0.000 2.490 12 V HN 0.312 nan 8.190 nan 0.000 0.515 13 L N -0.279 120.937 121.223 -0.013 0.000 5.188 13 L HA -0.332 4.007 4.340 -0.002 0.000 0.431 13 L C 1.539 178.395 176.870 -0.024 0.000 1.017 13 L CA 2.720 57.548 54.840 -0.020 0.000 1.195 13 L CB -1.861 40.187 42.059 -0.018 0.000 1.860 13 L HN 2.312 nan 8.230 nan 0.000 0.691 14 Q N -0.272 119.515 119.800 -0.021 0.000 2.280 14 Q HA 0.398 4.736 4.340 -0.002 0.000 0.228 14 Q C 2.100 178.083 176.000 -0.029 0.000 0.857 14 Q CA 1.161 56.951 55.803 -0.022 0.000 0.939 14 Q CB 0.068 28.798 28.738 -0.014 0.000 1.114 14 Q HN 0.575 nan 8.270 nan 0.000 0.514 15 K N 0.473 120.851 120.400 -0.037 0.000 2.217 15 K HA 0.196 4.515 4.320 -0.002 0.000 0.202 15 K C 2.015 178.570 176.600 -0.075 0.000 1.051 15 K CA 1.223 57.473 56.287 -0.062 0.000 0.952 15 K CB -0.445 32.009 32.500 -0.076 0.000 0.736 15 K HN 0.536 nan 8.250 nan 0.000 0.453 16 I N 0.643 121.172 120.570 -0.068 0.000 2.163 16 I HA -0.157 4.012 4.170 -0.002 0.000 0.240 16 I C 2.396 178.488 176.117 -0.041 0.000 1.081 16 I CA 1.015 62.271 61.300 -0.073 0.000 1.353 16 I CB -0.090 37.867 38.000 -0.072 0.000 1.054 16 I HN 0.198 nan 8.210 nan 0.000 0.407 17 L N -0.072 121.132 121.223 -0.032 0.000 2.127 17 L HA -0.240 4.099 4.340 -0.002 0.000 0.211 17 L C 2.805 179.668 176.870 -0.011 0.000 1.089 17 L CA 1.561 56.388 54.840 -0.022 0.000 0.757 17 L CB -0.959 41.086 42.059 -0.024 0.000 0.899 17 L HN 0.382 nan 8.230 nan 0.000 0.434 18 I N -0.442 120.117 120.570 -0.018 0.000 2.252 18 I HA -0.067 4.102 4.170 -0.002 0.000 0.245 18 I C 2.540 178.662 176.117 0.007 0.000 1.102 18 I CA 2.146 63.438 61.300 -0.014 0.000 1.385 18 I CB -1.861 36.117 38.000 -0.036 0.000 1.064 18 I HN 0.326 nan 8.210 nan 0.000 0.414 19 G N -0.567 108.237 108.800 0.005 0.000 2.484 19 G HA2 -0.019 3.940 3.960 -0.002 0.000 0.218 19 G HA3 -0.019 3.940 3.960 -0.002 0.000 0.218 19 G C 1.662 176.656 174.900 0.157 0.000 1.130 19 G CA 1.016 46.165 45.100 0.081 0.000 0.784 19 G HN 0.600 nan 8.290 nan 0.000 0.543 20 L N 0.620 121.887 121.223 0.074 0.000 2.007 20 L HA 0.096 4.435 4.340 -0.002 0.000 0.205 20 L C 2.579 179.490 176.870 0.068 0.000 1.073 20 L CA 1.275 56.154 54.840 0.066 0.000 0.744 20 L CB -0.226 41.850 42.059 0.029 0.000 0.898 20 L HN 0.043 nan 8.230 nan 0.000 0.435 21 I N -0.359 120.240 120.570 0.049 0.000 2.226 21 I HA -0.269 3.899 4.170 -0.002 0.000 0.245 21 I C 2.534 178.691 176.117 0.067 0.000 1.100 21 I CA 1.241 62.567 61.300 0.044 0.000 1.374 21 I CB -1.359 36.656 38.000 0.025 0.000 1.057 21 I HN 0.355 nan 8.210 nan 0.000 0.413 22 L N 1.105 122.385 121.223 0.095 0.000 2.046 22 L HA -0.120 4.218 4.340 -0.002 0.000 0.208 22 L C 2.409 179.407 176.870 0.213 0.000 1.077 22 L CA 2.214 57.137 54.840 0.138 0.000 0.747 22 L CB -1.170 40.967 42.059 0.130 0.000 0.896 22 L HN 0.250 nan 8.230 nan 0.000 0.432 23 G N -0.909 108.042 108.800 0.251 0.000 2.402 23 G HA2 -0.221 3.737 3.960 -0.002 0.000 0.216 23 G HA3 -0.221 3.737 3.960 -0.002 0.000 0.216 23 G C 1.673 176.529 174.900 -0.075 0.000 1.162 23 G CA 0.767 45.866 45.100 -0.002 0.000 0.777 23 G HN 0.559 nan 8.290 nan 0.000 0.539 24 A N 0.534 123.356 122.820 0.004 0.000 1.933 24 A HA 0.091 4.410 4.320 -0.002 0.000 0.218 24 A C 2.380 179.976 177.584 0.019 0.000 1.175 24 A CA 1.131 53.175 52.037 0.013 0.000 0.628 24 A CB -0.284 18.744 19.000 0.046 0.000 0.814 24 A HN 0.390 nan 8.150 nan 0.000 0.444 25 I N -1.278 119.314 120.570 0.036 0.000 2.233 25 I HA -0.151 4.018 4.170 -0.002 0.000 0.243 25 I C 2.327 178.467 176.117 0.038 0.000 1.093 25 I CA 1.011 62.335 61.300 0.039 0.000 1.380 25 I CB -0.232 37.793 38.000 0.043 0.000 1.067 25 I HN 0.197 nan 8.210 nan 0.000 0.413 26 V N 0.966 120.909 119.914 0.049 0.000 2.759 26 V HA -0.139 3.980 4.120 -0.002 0.000 0.256 26 V C 2.189 178.289 176.094 0.010 0.000 1.080 26 V CA 2.051 64.381 62.300 0.050 0.000 1.101 26 V CB -0.481 31.423 31.823 0.134 0.000 0.698 26 V HN 0.534 nan 8.190 nan 0.000 0.477 27 G N -0.742 108.042 108.800 -0.028 0.000 2.395 27 G HA2 -0.156 3.803 3.960 -0.002 0.000 0.214 27 G HA3 -0.156 3.803 3.960 -0.002 0.000 0.214 27 G C 1.410 176.317 174.900 0.011 0.000 1.177 27 G CA 0.736 45.817 45.100 -0.033 0.000 0.794 27 G HN 0.420 nan 8.290 nan 0.000 0.532 28 L N 0.350 121.588 121.223 0.025 0.000 2.083 28 L HA 0.127 4.465 4.340 -0.002 0.000 0.209 28 L C 2.559 179.493 176.870 0.107 0.000 1.083 28 L CA 1.046 55.922 54.840 0.061 0.000 0.752 28 L CB -0.457 41.637 42.059 0.058 0.000 0.899 28 L HN 0.125 nan 8.230 nan 0.000 0.433 29 I N -1.303 119.317 120.570 0.084 0.000 2.315 29 I HA -0.247 3.922 4.170 -0.002 0.000 0.248 29 I C 2.199 178.396 176.117 0.133 0.000 1.117 29 I CA 1.215 62.572 61.300 0.096 0.000 1.404 29 I CB -0.256 37.764 38.000 0.034 0.000 1.071 29 I HN 0.138 nan 8.210 nan 0.000 0.419 30 L N -0.619 120.667 121.223 0.106 0.000 2.395 30 L HA -0.002 4.337 4.340 -0.002 0.000 0.218 30 L C 2.374 179.362 176.870 0.196 0.000 1.130 30 L CA 0.805 55.740 54.840 0.159 0.000 0.826 30 L CB -0.913 41.210 42.059 0.106 0.000 0.941 30 L HN 0.333 nan 8.230 nan 0.000 0.451 31 G N -1.224 107.653 108.800 0.130 0.000 2.464 31 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.214 31 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.214 31 G C 1.354 176.291 174.900 0.062 0.000 1.218 31 G CA 0.230 45.368 45.100 0.063 0.000 0.794 31 G HN 0.335 nan 8.290 nan 0.000 0.542 32 H N -1.210 117.918 119.070 0.096 0.000 2.567 32 H HA 0.054 4.609 4.556 -0.002 0.000 0.276 32 H C 1.046 176.439 175.328 0.108 0.000 1.016 32 H CA 0.584 56.682 56.048 0.083 0.000 1.186 32 H CB 0.232 30.044 29.762 0.083 0.000 1.351 32 H HN 0.473 nan 8.280 nan 0.000 0.605 33 Y N -0.821 119.563 120.300 0.140 0.000 2.467 33 Y HA 0.187 4.735 4.550 -0.002 0.000 0.250 33 Y C 1.682 177.618 175.900 0.060 0.000 1.155 33 Y CA 0.513 58.696 58.100 0.139 0.000 1.249 33 Y CB 0.982 39.565 38.460 0.205 0.000 1.146 33 Y HN 0.285 nan 8.280 nan 0.000 0.524 34 G N -0.600 108.250 108.800 0.084 0.000 2.175 34 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.244 34 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.244 34 G C 0.060 174.856 174.900 -0.174 0.000 0.982 34 G CA 0.029 45.063 45.100 -0.110 0.000 0.641 34 G HN 0.413 nan 8.290 nan 0.000 0.527 35 Y N 0.981 121.335 120.300 0.090 0.000 2.882 35 Y HA 0.532 5.081 4.550 -0.002 0.000 0.361 35 Y C 2.173 178.124 175.900 0.084 0.000 1.058 35 Y CA 0.458 58.610 58.100 0.087 0.000 1.575 35 Y CB 0.087 38.597 38.460 0.084 0.000 1.383 35 Y HN 0.354 nan 8.280 nan 0.000 0.515 36 A N -0.810 122.097 122.820 0.145 0.000 1.930 36 A HA -0.210 4.108 4.320 -0.002 0.000 0.217 36 A C 1.482 179.185 177.584 0.198 0.000 1.175 36 A CA 1.633 53.735 52.037 0.109 0.000 0.627 36 A CB -0.381 18.634 19.000 0.024 0.000 0.815 36 A HN 0.572 nan 8.150 nan 0.000 0.443 37 H N -1.043 118.091 119.070 0.108 0.000 2.551 37 H HA 0.386 4.941 4.556 -0.002 0.000 0.266 37 H C 2.062 177.543 175.328 0.254 0.000 0.977 37 H CA 0.542 56.701 56.048 0.184 0.000 1.163 37 H CB 0.103 29.932 29.762 0.111 0.000 1.381 37 H HN 0.484 nan 8.280 nan 0.000 0.581 38 A N -0.356 122.658 122.820 0.323 0.000 1.970 38 A HA -0.025 4.293 4.320 -0.002 0.000 0.216 38 A C 2.331 180.071 177.584 0.260 0.000 1.170 38 A CA 0.939 53.150 52.037 0.290 0.000 0.645 38 A CB -0.376 18.793 19.000 0.282 0.000 0.816 38 A HN 0.256 nan 8.150 nan 0.000 0.447 39 V N -0.555 119.501 119.914 0.237 0.000 2.453 39 V HA -0.215 3.904 4.120 -0.002 0.000 0.247 39 V C 2.395 178.640 176.094 0.251 0.000 1.048 39 V CA 1.891 64.322 62.300 0.219 0.000 1.049 39 V CB -0.881 31.056 31.823 0.190 0.000 0.672 39 V HN 0.792 nan 8.190 nan 0.000 0.457 40 H N 0.586 119.761 119.070 0.175 0.000 2.319 40 H HA -0.194 4.361 4.556 -0.002 0.000 0.299 40 H C 2.008 177.290 175.328 -0.076 0.000 1.092 40 H CA 1.986 58.056 56.048 0.038 0.000 1.302 40 H CB 0.043 29.734 29.762 -0.118 0.000 1.373 40 H HN 0.521 nan 8.280 nan 0.000 0.497 41 T N -1.960 112.569 114.554 -0.041 0.000 3.148 41 T HA 0.027 4.376 4.350 -0.002 0.000 0.253 41 T C 0.869 175.423 174.700 -0.244 0.000 1.134 41 T CA 0.512 62.525 62.100 -0.144 0.000 1.051 41 T CB 0.008 68.914 68.868 0.064 0.000 0.959 41 T HN 0.315 nan 8.240 nan 0.000 0.525 42 Y N -1.526 118.679 120.300 -0.158 0.000 3.147 42 Y HA 0.154 4.704 4.550 -0.001 0.000 0.219 42 Y C 2.312 178.052 175.900 -0.266 0.000 1.021 42 Y CA -0.122 57.875 58.100 -0.171 0.000 1.440 42 Y CB 0.696 39.123 38.460 -0.054 0.000 1.472 42 Y HN -0.028 nan 8.280 nan 0.000 0.408 43 V N 1.031 120.975 119.914 0.051 0.000 2.453 43 V HA -0.223 3.896 4.120 -0.002 0.000 0.247 43 V C 2.179 178.203 176.094 -0.116 0.000 1.048 43 V CA 2.036 64.352 62.300 0.026 0.000 1.049 43 V CB -0.458 31.424 31.823 0.098 0.000 0.672 43 V HN 0.250 nan 8.190 nan 0.000 0.457 44 K N 0.468 120.776 120.400 -0.153 0.000 2.032 44 K HA -0.199 4.120 4.320 -0.002 0.000 0.209 44 K C -0.094 176.374 176.600 -0.221 0.000 1.048 44 K CA 2.032 58.186 56.287 -0.220 0.000 0.927 44 K CB -1.165 31.084 32.500 -0.417 0.000 0.712 44 K HN 0.389 nan 8.250 nan 0.000 0.441 45 P HA -0.158 nan 4.420 nan 0.000 0.217 45 P C 0.774 178.071 177.300 -0.004 0.000 1.148 45 P CA 1.392 64.349 63.100 -0.238 0.000 0.828 45 P CB -0.109 31.377 31.700 -0.357 0.000 0.783 46 F N -1.112 118.896 119.950 0.096 0.000 2.293 46 F HA -0.034 4.492 4.527 -0.002 0.000 0.300 46 F C 2.522 178.468 175.800 0.243 0.000 1.086 46 F CA 0.562 58.691 58.000 0.216 0.000 1.375 46 F CB -0.938 38.196 39.000 0.223 0.000 1.045 46 F HN -0.015 nan 8.300 nan 0.000 0.516 47 G N -0.234 108.742 108.800 0.294 0.000 2.421 47 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.217 47 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.217 47 G C 1.168 176.209 174.900 0.235 0.000 1.143 47 G CA 0.720 45.962 45.100 0.236 0.000 0.784 47 G HN 0.198 nan 8.290 nan 0.000 0.541 48 D N 0.378 120.862 120.400 0.139 0.000 2.123 48 D HA -0.067 4.572 4.640 -0.002 0.000 0.200 48 D C 2.404 178.785 176.300 0.134 0.000 0.976 48 D CA 0.292 54.341 54.000 0.081 0.000 0.831 48 D CB -0.411 40.384 40.800 -0.008 0.000 0.974 48 D HN 0.180 nan 8.370 nan 0.000 0.469 49 L N 0.643 121.992 121.223 0.210 0.000 1.997 49 L HA -0.215 4.124 4.340 -0.002 0.000 0.216 49 L C 2.181 179.214 176.870 0.272 0.000 1.074 49 L CA 1.506 56.470 54.840 0.207 0.000 0.763 49 L CB -0.880 41.318 42.059 0.232 0.000 0.890 49 L HN -0.006 nan 8.230 nan 0.000 0.434 50 F N -1.009 119.148 119.950 0.346 0.000 2.202 50 F HA -0.184 4.342 4.527 -0.002 0.000 0.301 50 F C 2.048 177.941 175.800 0.155 0.000 1.082 50 F CA 1.791 59.982 58.000 0.318 0.000 1.313 50 F CB -0.562 38.595 39.000 0.262 0.000 1.024 50 F HN -0.043 nan 8.300 nan 0.000 0.495 51 V N 1.124 120.966 119.914 -0.119 0.000 2.323 51 V HA -0.197 3.922 4.120 -0.002 0.000 0.244 51 V C 2.639 178.638 176.094 -0.157 0.000 1.041 51 V CA 1.688 63.845 62.300 -0.239 0.000 1.025 51 V CB -0.641 31.134 31.823 -0.080 0.000 0.656 51 V HN 0.205 nan 8.190 nan 0.000 0.451 52 R N 0.169 120.633 120.500 -0.060 0.000 2.080 52 R HA -0.127 4.212 4.340 -0.002 0.000 0.236 52 R C 2.281 178.549 176.300 -0.054 0.000 1.137 52 R CA 1.577 57.652 56.100 -0.043 0.000 0.943 52 R CB -1.038 29.255 30.300 -0.012 0.000 0.846 52 R HN 0.426 nan 8.270 nan 0.000 0.431 53 L N 0.678 121.877 121.223 -0.041 0.000 2.079 53 L HA -0.172 4.167 4.340 -0.002 0.000 0.210 53 L C 2.619 179.450 176.870 -0.065 0.000 1.081 53 L CA 1.026 55.848 54.840 -0.031 0.000 0.752 53 L CB -0.434 41.639 42.059 0.024 0.000 0.896 53 L HN 0.165 nan 8.230 nan 0.000 0.433 54 L N -0.482 120.648 121.223 -0.156 0.000 2.056 54 L HA -0.198 4.140 4.340 -0.002 0.000 0.207 54 L C 2.667 179.468 176.870 -0.115 0.000 1.078 54 L CA 1.359 56.092 54.840 -0.178 0.000 0.749 54 L CB -0.304 41.539 42.059 -0.360 0.000 0.901 54 L HN 0.243 nan 8.230 nan 0.000 0.433 55 K N -0.381 119.954 120.400 -0.108 0.000 2.057 55 K HA -0.235 4.084 4.320 -0.002 0.000 0.207 55 K C 2.081 178.654 176.600 -0.045 0.000 1.049 55 K CA 1.448 57.694 56.287 -0.068 0.000 0.931 55 K CB -0.167 32.297 32.500 -0.060 0.000 0.714 55 K HN 0.235 nan 8.250 nan 0.000 0.440 56 M N 1.108 120.683 119.600 -0.042 0.000 2.146 56 M HA -0.235 4.243 4.480 -0.002 0.000 0.256 56 M C 1.445 177.732 176.300 -0.021 0.000 1.075 56 M CA 1.758 57.042 55.300 -0.026 0.000 1.082 56 M CB -0.109 32.477 32.600 -0.024 0.000 1.355 56 M HN 0.120 nan 8.290 nan 0.000 0.402 57 L N -1.351 119.853 121.223 -0.031 0.000 2.509 57 L HA -0.002 4.337 4.340 -0.002 0.000 0.222 57 L C 2.082 178.932 176.870 -0.034 0.000 1.123 57 L CA -0.276 54.543 54.840 -0.035 0.000 0.856 57 L CB -0.556 41.471 42.059 -0.053 0.000 0.985 57 L HN 0.105 nan 8.230 nan 0.000 0.456 58 V N -0.249 119.650 119.914 -0.025 0.000 2.343 58 V HA -0.256 3.862 4.120 -0.002 0.000 0.247 58 V C 2.663 178.768 176.094 0.019 0.000 1.051 58 V CA 1.555 63.849 62.300 -0.011 0.000 1.036 58 V CB -0.364 31.453 31.823 -0.010 0.000 0.654 58 V HN 0.350 nan 8.190 nan 0.000 0.451 59 M N -0.611 119.005 119.600 0.026 0.000 2.067 59 M HA -0.044 4.435 4.480 -0.002 0.000 0.260 59 M C 0.253 176.614 176.300 0.102 0.000 1.069 59 M CA 1.998 57.331 55.300 0.056 0.000 1.117 59 M CB -2.557 30.063 32.600 0.035 0.000 1.334 59 M HN 0.253 nan 8.290 nan 0.000 0.407 60 P HA -0.107 nan 4.420 nan 0.000 0.214 60 P C 1.936 179.295 177.300 0.099 0.000 1.163 60 P CA 1.177 64.351 63.100 0.123 0.000 0.883 60 P CB -0.107 31.636 31.700 0.072 0.000 0.788 61 I N -0.962 119.612 120.570 0.006 0.000 2.264 61 I HA -0.226 3.942 4.170 -0.002 0.000 0.248 61 I C 1.898 178.015 176.117 0.001 0.000 1.111 61 I CA 1.371 62.624 61.300 -0.078 0.000 1.382 61 I CB -0.135 37.723 38.000 -0.236 0.000 1.060 61 I HN -0.206 nan 8.210 nan 0.000 0.418 62 V N 0.316 120.267 119.914 0.063 0.000 2.283 62 V HA -0.281 3.838 4.120 -0.002 0.000 0.243 62 V C 2.143 178.329 176.094 0.154 0.000 1.039 62 V CA 2.057 64.419 62.300 0.104 0.000 1.016 62 V CB -0.687 31.203 31.823 0.113 0.000 0.650 62 V HN 0.493 nan 8.190 nan 0.000 0.449 63 F N 1.389 121.371 119.950 0.052 0.000 2.102 63 F HA -0.118 4.408 4.527 -0.002 0.000 0.298 63 F C 2.193 178.022 175.800 0.048 0.000 1.105 63 F CA 1.377 59.418 58.000 0.068 0.000 1.239 63 F CB -0.763 38.295 39.000 0.098 0.000 0.991 63 F HN 0.077 nan 8.300 nan 0.000 0.474 64 A N -0.255 122.515 122.820 -0.083 0.000 1.828 64 A HA -0.133 4.185 4.320 -0.002 0.000 0.215 64 A C 1.777 179.275 177.584 -0.143 0.000 1.203 64 A CA 1.575 53.507 52.037 -0.175 0.000 0.614 64 A CB -1.426 17.570 19.000 -0.007 0.000 0.844 64 A HN 0.309 nan 8.150 nan 0.000 0.445 65 S N -0.165 115.523 115.700 -0.020 0.000 4.117 65 S HA 0.360 4.829 4.470 -0.002 0.000 0.191 65 S C 0.195 174.752 174.600 -0.072 0.000 1.308 65 S CA 0.382 58.581 58.200 -0.001 0.000 0.906 65 S CB 0.119 63.413 63.200 0.155 0.000 1.565 65 S HN 0.506 nan 8.310 nan 0.000 0.439 66 L N 0.923 122.071 121.223 -0.126 0.000 2.459 66 L HA 0.164 4.503 4.340 -0.002 0.000 0.276 66 L C 1.432 178.200 176.870 -0.170 0.000 1.104 66 L CA 0.849 55.623 54.840 -0.111 0.000 1.393 66 L CB -0.512 41.532 42.059 -0.025 0.000 2.603 66 L HN 0.258 nan 8.230 nan 0.000 0.550 67 V N -0.092 119.654 119.914 -0.279 0.000 2.295 67 V HA -0.215 3.904 4.120 -0.002 0.000 0.246 67 V C 2.342 178.314 176.094 -0.204 0.000 1.049 67 V CA 2.083 64.200 62.300 -0.305 0.000 1.024 67 V CB -0.645 30.897 31.823 -0.468 0.000 0.648 67 V HN 0.261 nan 8.190 nan 0.000 0.447 68 V N 1.169 120.975 119.914 -0.180 0.000 2.332 68 V HA -0.198 3.920 4.120 -0.002 0.000 0.248 68 V C 2.675 178.703 176.094 -0.111 0.000 1.055 68 V CA 2.207 64.436 62.300 -0.119 0.000 1.038 68 V CB -1.556 30.217 31.823 -0.084 0.000 0.651 68 V HN 0.618 nan 8.190 nan 0.000 0.450 69 G N -0.348 108.375 108.800 -0.127 0.000 2.448 69 G HA2 -0.118 3.841 3.960 -0.002 0.000 0.219 69 G HA3 -0.118 3.841 3.960 -0.002 0.000 0.219 69 G C 1.275 176.107 174.900 -0.114 0.000 1.127 69 G CA 0.748 45.769 45.100 -0.131 0.000 0.766 69 G HN 0.670 nan 8.290 nan 0.000 0.552 70 A N 0.120 122.868 122.820 -0.120 0.000 2.412 70 A HA 0.692 5.011 4.320 -0.002 0.000 0.253 70 A C 1.247 178.776 177.584 -0.092 0.000 1.334 70 A CA 0.539 52.507 52.037 -0.115 0.000 0.929 70 A CB -0.247 18.671 19.000 -0.136 0.000 0.983 70 A HN 0.606 nan 8.150 nan 0.000 0.508 71 A N 0.553 123.322 122.820 -0.084 0.000 3.016 71 A HA 0.603 4.921 4.320 -0.002 0.000 0.303 71 A C 0.243 177.789 177.584 -0.064 0.000 1.507 71 A CA 0.195 52.191 52.037 -0.069 0.000 1.196 71 A CB -0.554 18.407 19.000 -0.064 0.000 1.169 71 A HN 0.864 nan 8.150 nan 0.000 0.544 72 S N 1.698 117.360 115.700 -0.064 0.000 2.579 72 S HA 0.346 4.815 4.470 -0.002 0.000 0.290 72 S C -0.573 173.993 174.600 -0.057 0.000 1.123 72 S CA -0.808 57.358 58.200 -0.058 0.000 0.894 72 S CB 0.239 63.402 63.200 -0.061 0.000 1.095 72 S HN 0.635 nan 8.310 nan 0.000 0.450 73 I N 4.490 125.030 120.570 -0.050 0.000 3.136 73 I HA -0.088 4.080 4.170 -0.002 0.000 0.298 73 I C 1.763 177.856 176.117 -0.040 0.000 1.232 73 I CA 0.043 61.316 61.300 -0.045 0.000 1.379 73 I CB -0.458 37.519 38.000 -0.038 0.000 1.411 73 I HN 0.631 nan 8.210 nan 0.000 0.532 74 S N 7.740 123.428 115.700 -0.021 0.000 2.377 74 S HA -0.156 4.313 4.470 -0.002 0.000 0.224 74 S C -0.360 174.218 174.600 -0.036 0.000 1.042 74 S CA 1.812 60.003 58.200 -0.014 0.000 1.086 74 S CB -0.998 62.243 63.200 0.068 0.000 0.995 74 S HN 0.656 nan 8.310 nan 0.000 0.428 75 P HA 0.224 nan 4.420 nan 0.000 0.212 75 P C 1.496 178.778 177.300 -0.030 0.000 1.171 75 P CA 1.287 64.373 63.100 -0.023 0.000 0.892 75 P CB -0.359 31.340 31.700 -0.002 0.000 0.769 76 A N -0.284 122.524 122.820 -0.020 0.000 1.986 76 A HA -0.226 4.093 4.320 -0.002 0.000 0.220 76 A C 2.174 179.744 177.584 -0.023 0.000 1.171 76 A CA 1.624 53.651 52.037 -0.017 0.000 0.640 76 A CB -0.817 18.176 19.000 -0.012 0.000 0.811 76 A HN 0.006 nan 8.150 nan 0.000 0.451 77 R N -0.820 119.658 120.500 -0.036 0.000 2.013 77 R HA 0.221 4.560 4.340 -0.002 0.000 0.201 77 R C 2.149 178.407 176.300 -0.070 0.000 1.312 77 R CA 0.697 56.772 56.100 -0.042 0.000 1.076 77 R CB -1.589 28.682 30.300 -0.047 0.000 0.817 77 R HN 0.459 nan 8.270 nan 0.000 0.494 78 L N 0.790 121.939 121.223 -0.123 0.000 2.085 78 L HA -0.261 4.078 4.340 -0.002 0.000 0.218 78 L C 2.409 179.144 176.870 -0.225 0.000 1.080 78 L CA 1.929 56.623 54.840 -0.243 0.000 0.776 78 L CB -0.984 40.888 42.059 -0.311 0.000 0.891 78 L HN 0.528 nan 8.230 nan 0.000 0.437 79 G N -1.011 107.711 108.800 -0.130 0.000 2.480 79 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.216 79 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.216 79 G C 1.858 176.742 174.900 -0.027 0.000 1.200 79 G CA 1.426 46.483 45.100 -0.071 0.000 0.782 79 G HN 0.411 nan 8.290 nan 0.000 0.554 80 R N -0.027 120.463 120.500 -0.016 0.000 2.092 80 R HA 0.215 4.554 4.340 -0.002 0.000 0.231 80 R C 2.705 179.018 176.300 0.022 0.000 1.119 80 R CA 1.509 57.614 56.100 0.009 0.000 0.970 80 R CB -1.280 29.026 30.300 0.009 0.000 0.864 80 R HN 0.300 nan 8.270 nan 0.000 0.440 81 V N 0.724 120.647 119.914 0.014 0.000 2.255 81 V HA -0.197 3.922 4.120 -0.002 0.000 0.247 81 V C 2.828 178.996 176.094 0.124 0.000 1.051 81 V CA 2.253 64.585 62.300 0.054 0.000 1.018 81 V CB -0.976 30.879 31.823 0.054 0.000 0.641 81 V HN 0.693 nan 8.190 nan 0.000 0.445 82 G N -0.804 108.081 108.800 0.142 0.000 2.422 82 G HA2 -0.185 3.774 3.960 -0.002 0.000 0.218 82 G HA3 -0.185 3.774 3.960 -0.002 0.000 0.218 82 G C 1.651 176.649 174.900 0.164 0.000 1.146 82 G CA 1.174 46.454 45.100 0.301 0.000 0.769 82 G HN 0.389 nan 8.290 nan 0.000 0.547 83 V N 0.423 120.390 119.914 0.088 0.000 2.307 83 V HA -0.110 4.009 4.120 -0.002 0.000 0.245 83 V C 2.762 178.886 176.094 0.051 0.000 1.045 83 V CA 2.105 64.444 62.300 0.066 0.000 1.024 83 V CB -0.386 31.466 31.823 0.050 0.000 0.651 83 V HN 0.305 nan 8.190 nan 0.000 0.449 84 K N -0.482 119.943 120.400 0.041 0.000 2.009 84 K HA -0.196 4.123 4.320 -0.002 0.000 0.210 84 K C 2.105 178.697 176.600 -0.014 0.000 1.049 84 K CA 1.897 58.202 56.287 0.030 0.000 0.929 84 K CB -0.411 32.103 32.500 0.025 0.000 0.714 84 K HN 0.294 nan 8.250 nan 0.000 0.440 85 I N 0.768 121.281 120.570 -0.095 0.000 2.264 85 I HA -0.250 3.918 4.170 -0.002 0.000 0.248 85 I C 1.835 177.676 176.117 -0.459 0.000 1.111 85 I CA 1.202 62.292 61.300 -0.351 0.000 1.382 85 I CB 0.022 37.778 38.000 -0.406 0.000 1.060 85 I HN -0.069 nan 8.210 nan 0.000 0.418 86 V N -0.634 119.187 119.914 -0.155 0.000 2.379 86 V HA -0.212 3.907 4.120 -0.002 0.000 0.245 86 V C 2.417 178.554 176.094 0.072 0.000 1.044 86 V CA 1.596 63.897 62.300 0.002 0.000 1.036 86 V CB -0.288 31.585 31.823 0.084 0.000 0.664 86 V HN 0.276 nan 8.190 nan 0.000 0.453 87 V N -0.735 119.216 119.914 0.063 0.000 2.427 87 V HA -0.288 3.831 4.120 -0.002 0.000 0.248 87 V C 2.165 178.323 176.094 0.106 0.000 1.051 87 V CA 2.364 64.712 62.300 0.080 0.000 1.048 87 V CB -0.790 31.077 31.823 0.073 0.000 0.666 87 V HN 0.698 nan 8.190 nan 0.000 0.456 88 Y N -0.007 120.284 120.300 -0.015 0.000 2.114 88 Y HA -0.302 4.247 4.550 -0.002 0.000 0.284 88 Y C 2.415 178.414 175.900 0.164 0.000 1.143 88 Y CA 1.845 59.959 58.100 0.024 0.000 1.135 88 Y CB -0.544 37.872 38.460 -0.074 0.000 0.980 88 Y HN 0.282 nan 8.280 nan 0.000 0.499 89 Y N -0.990 119.416 120.300 0.177 0.000 2.165 89 Y HA -0.291 4.258 4.550 -0.002 0.000 0.286 89 Y C 2.238 178.131 175.900 -0.011 0.000 1.155 89 Y CA 0.586 58.740 58.100 0.091 0.000 1.164 89 Y CB -0.187 38.360 38.460 0.146 0.000 0.978 89 Y HN 0.208 nan 8.280 nan 0.000 0.513 90 L N -0.563 120.760 121.223 0.166 0.000 2.109 90 L HA -0.187 4.152 4.340 -0.002 0.000 0.207 90 L C 2.046 178.925 176.870 0.015 0.000 1.086 90 L CA 1.519 56.408 54.840 0.081 0.000 0.760 90 L CB -0.637 41.465 42.059 0.071 0.000 0.910 90 L HN 0.222 nan 8.230 nan 0.000 0.437 91 L N -1.487 119.728 121.223 -0.015 0.000 2.270 91 L HA -0.088 4.251 4.340 -0.002 0.000 0.210 91 L C 2.410 179.271 176.870 -0.016 0.000 1.104 91 L CA 1.201 56.013 54.840 -0.047 0.000 0.804 91 L CB -0.797 41.248 42.059 -0.023 0.000 0.937 91 L HN 0.386 nan 8.230 nan 0.000 0.450 92 T N -4.448 110.057 114.554 -0.082 0.000 2.857 92 T HA -0.084 4.265 4.350 -0.002 0.000 0.266 92 T C 1.955 176.677 174.700 0.038 0.000 1.048 92 T CA 1.229 63.304 62.100 -0.042 0.000 1.139 92 T CB -0.273 68.469 68.868 -0.211 0.000 0.874 92 T HN 0.143 nan 8.240 nan 0.000 0.455 93 S N 1.731 117.443 115.700 0.021 0.000 2.428 93 S HA 0.252 4.721 4.470 -0.002 0.000 0.230 93 S C 2.513 177.122 174.600 0.016 0.000 1.014 93 S CA 0.653 58.871 58.200 0.029 0.000 0.957 93 S CB -0.535 62.683 63.200 0.029 0.000 0.784 93 S HN 0.738 nan 8.310 nan 0.000 0.499 94 A N 0.652 123.460 122.820 -0.019 0.000 1.929 94 A HA 0.129 4.448 4.320 -0.002 0.000 0.216 94 A C 1.793 179.320 177.584 -0.095 0.000 1.176 94 A CA 0.822 52.808 52.037 -0.084 0.000 0.628 94 A CB -0.724 18.178 19.000 -0.164 0.000 0.816 94 A HN 0.482 nan 8.150 nan 0.000 0.444 95 F N 0.120 120.040 119.950 -0.050 0.000 2.146 95 F HA -0.085 4.440 4.527 -0.002 0.000 0.298 95 F C 2.807 178.570 175.800 -0.063 0.000 1.096 95 F CA 0.832 58.796 58.000 -0.060 0.000 1.275 95 F CB -0.077 38.872 39.000 -0.085 0.000 1.008 95 F HN 0.286 nan 8.300 nan 0.000 0.480 96 A N -0.473 122.429 122.820 0.137 0.000 1.883 96 A HA -0.213 4.106 4.320 -0.002 0.000 0.217 96 A C 2.284 179.893 177.584 0.043 0.000 1.186 96 A CA 1.935 54.006 52.037 0.057 0.000 0.624 96 A CB -1.356 17.668 19.000 0.040 0.000 0.822 96 A HN 0.263 nan 8.150 nan 0.000 0.444 97 V N -0.053 119.883 119.914 0.036 0.000 2.358 97 V HA -0.186 3.933 4.120 -0.002 0.000 0.246 97 V C 2.469 178.565 176.094 0.004 0.000 1.047 97 V CA 3.034 65.345 62.300 0.019 0.000 1.035 97 V CB -0.894 30.940 31.823 0.018 0.000 0.658 97 V HN 0.650 nan 8.190 nan 0.000 0.452 98 T N 0.490 115.052 114.554 0.013 0.000 2.867 98 T HA -0.112 4.237 4.350 -0.002 0.000 0.268 98 T C 1.723 176.431 174.700 0.013 0.000 1.057 98 T CA 1.639 63.743 62.100 0.006 0.000 1.136 98 T CB -0.265 68.604 68.868 0.003 0.000 0.874 98 T HN 0.390 nan 8.240 nan 0.000 0.466 99 L N 1.361 122.610 121.223 0.043 0.000 2.217 99 L HA 0.239 4.578 4.340 -0.002 0.000 0.211 99 L C 2.475 179.336 176.870 -0.016 0.000 1.107 99 L CA 1.266 56.119 54.840 0.022 0.000 0.783 99 L CB -0.829 41.244 42.059 0.023 0.000 0.919 99 L HN 0.291 nan 8.230 nan 0.000 0.442 100 G N -0.366 108.418 108.800 -0.026 0.000 2.403 100 G HA2 -0.159 3.800 3.960 -0.002 0.000 0.216 100 G HA3 -0.159 3.800 3.960 -0.002 0.000 0.216 100 G C 1.474 176.278 174.900 -0.160 0.000 1.154 100 G CA 0.729 45.797 45.100 -0.055 0.000 0.784 100 G HN 0.292 nan 8.290 nan 0.000 0.538 101 I N 0.780 121.228 120.570 -0.204 0.000 2.179 101 I HA -0.079 4.090 4.170 -0.002 0.000 0.242 101 I C 2.678 178.558 176.117 -0.396 0.000 1.088 101 I CA 0.876 61.911 61.300 -0.441 0.000 1.357 101 I CB -0.972 36.889 38.000 -0.231 0.000 1.051 101 I HN 0.058 nan 8.210 nan 0.000 0.409 102 I N 0.007 120.473 120.570 -0.172 0.000 2.361 102 I HA -0.259 3.909 4.170 -0.002 0.000 0.251 102 I C 2.387 178.470 176.117 -0.057 0.000 1.133 102 I CA 1.302 62.547 61.300 -0.092 0.000 1.413 102 I CB -0.340 37.643 38.000 -0.029 0.000 1.073 102 I HN 0.128 nan 8.210 nan 0.000 0.424 103 M N -0.646 118.933 119.600 -0.036 0.000 2.506 103 M HA 0.116 4.595 4.480 -0.002 0.000 0.260 103 M C 1.949 178.321 176.300 0.119 0.000 1.104 103 M CA 1.000 56.351 55.300 0.086 0.000 1.112 103 M CB -0.260 32.396 32.600 0.093 0.000 1.401 103 M HN 0.195 nan 8.290 nan 0.000 0.473 104 A N -0.880 121.885 122.820 -0.092 0.000 2.132 104 A HA 0.077 4.395 4.320 -0.002 0.000 0.213 104 A C 2.076 179.636 177.584 -0.041 0.000 1.154 104 A CA 0.580 52.556 52.037 -0.102 0.000 0.753 104 A CB -0.256 18.513 19.000 -0.386 0.000 0.826 104 A HN 0.473 nan 8.150 nan 0.000 0.469 105 R N -0.866 119.575 120.500 -0.098 0.000 2.237 105 R HA 0.251 4.590 4.340 -0.002 0.000 0.195 105 R C 1.797 178.117 176.300 0.033 0.000 0.956 105 R CA 0.154 56.267 56.100 0.023 0.000 1.029 105 R CB -0.096 30.205 30.300 0.002 0.000 0.972 105 R HN 0.387 nan 8.270 nan 0.000 0.493 106 L N 0.297 121.531 121.223 0.019 0.000 2.044 106 L HA 0.113 4.452 4.340 -0.002 0.000 0.205 106 L C 0.367 177.158 176.870 -0.132 0.000 1.075 106 L CA 1.569 56.373 54.840 -0.060 0.000 0.747 106 L CB -0.068 41.946 42.059 -0.075 0.000 0.903 106 L HN -0.034 nan 8.230 nan 0.000 0.435 107 F N 0.123 120.081 119.950 0.014 0.000 2.348 107 F HA 0.235 4.761 4.527 -0.002 0.000 0.308 107 F C 0.893 176.724 175.800 0.053 0.000 1.175 107 F CA -0.501 57.519 58.000 0.034 0.000 1.080 107 F CB 0.297 39.323 39.000 0.043 0.000 1.341 107 F HN -0.051 nan 8.300 nan 0.000 0.518 108 N N 1.240 120.114 118.700 0.291 0.000 2.762 108 N HA 0.288 5.026 4.740 -0.002 0.000 0.252 108 N C -2.859 172.763 175.510 0.187 0.000 1.269 108 N CA -1.510 51.658 53.050 0.197 0.000 0.799 108 N CB 0.965 39.525 38.487 0.122 0.000 1.173 108 N HN 0.044 nan 8.380 nan 0.000 0.516 109 P HA 0.308 nan 4.420 nan 0.000 0.280 109 P C 0.446 177.806 177.300 0.100 0.000 1.300 109 P CA 0.056 63.304 63.100 0.247 0.000 0.785 109 P CB 0.605 32.513 31.700 0.347 0.000 0.874 110 G N 2.937 111.715 108.800 -0.037 0.000 2.427 110 G HA2 -0.027 3.932 3.960 -0.002 0.000 0.193 110 G HA3 -0.027 3.932 3.960 -0.002 0.000 0.193 110 G C 0.814 175.625 174.900 -0.149 0.000 1.086 110 G CA -0.062 44.847 45.100 -0.317 0.000 0.818 110 G HN 0.576 nan 8.290 nan 0.000 0.490 111 A N -0.332 122.457 122.820 -0.050 0.000 1.929 111 A HA 0.526 4.845 4.320 -0.002 0.000 0.216 111 A C 1.923 179.483 177.584 -0.039 0.000 1.176 111 A CA 1.908 53.930 52.037 -0.024 0.000 0.628 111 A CB -0.163 18.845 19.000 0.012 0.000 0.816 111 A HN 1.959 nan 8.150 nan 0.000 0.444 112 G N -0.716 108.058 108.800 -0.043 0.000 2.351 112 G HA2 0.452 4.410 3.960 -0.002 0.000 0.287 112 G HA3 0.452 4.410 3.960 -0.002 0.000 0.287 112 G C 0.022 174.884 174.900 -0.062 0.000 1.159 112 G CA 0.298 45.375 45.100 -0.038 0.000 0.929 112 G HN 0.999 nan 8.290 nan 0.000 0.435 113 I N 1.470 122.010 120.570 -0.051 0.000 2.330 113 I HA 0.613 4.782 4.170 -0.002 0.000 0.280 113 I C 0.941 177.035 176.117 -0.037 0.000 1.069 113 I CA 0.422 61.690 61.300 -0.055 0.000 1.873 113 I CB -2.324 35.648 38.000 -0.047 0.000 1.476 113 I HN 1.057 nan 8.210 nan 0.000 0.813 114 H N 1.854 120.904 119.070 -0.034 0.000 5.184 114 H HA 0.954 5.509 4.556 -0.002 0.000 0.116 114 H C 1.544 176.866 175.328 -0.010 0.000 1.337 114 H CA 0.460 56.498 56.048 -0.017 0.000 0.532 114 H CB -0.380 29.378 29.762 -0.007 0.000 1.643 114 H HN 2.411 nan 8.280 nan 0.000 0.225 115 L N -0.474 120.751 121.223 0.004 0.000 3.040 115 L HA 0.354 4.693 4.340 -0.002 0.000 0.594 115 L C 0.675 177.557 176.870 0.020 0.000 1.002 115 L CA 0.239 55.091 54.840 0.021 0.000 1.305 115 L CB -2.603 39.473 42.059 0.028 0.000 1.539 115 L HN 2.498 nan 8.230 nan 0.000 0.746 116 A N 3.747 126.580 122.820 0.022 0.000 2.462 116 A HA 0.765 5.084 4.320 -0.002 0.000 0.243 116 A C 0.574 178.172 177.584 0.023 0.000 1.076 116 A CA 0.278 52.326 52.037 0.018 0.000 0.773 116 A CB 0.624 19.633 19.000 0.016 0.000 1.010 116 A HN 2.384 nan 8.150 nan 0.000 0.493 117 V N 1.011 120.937 119.914 0.019 0.000 2.439 117 V HA 0.788 4.907 4.120 -0.002 0.000 0.282 117 V C 0.647 176.753 176.094 0.020 0.000 1.039 117 V CA 0.311 62.624 62.300 0.022 0.000 0.913 117 V CB 0.457 32.291 31.823 0.017 0.000 0.983 117 V HN 1.947 nan 8.190 nan 0.000 0.460 118 G N 2.126 110.941 108.800 0.025 0.000 3.160 118 G HA2 0.533 4.492 3.960 -0.002 0.000 0.573 118 G HA3 0.533 4.492 3.960 -0.002 0.000 0.573 118 G C -0.039 174.874 174.900 0.023 0.000 1.286 118 G CA -0.218 44.895 45.100 0.021 0.000 1.151 118 G HN 2.169 nan 8.290 nan 0.000 0.555 119 G N 0.765 109.580 108.800 0.025 0.000 2.721 119 G HA2 0.556 4.515 3.960 -0.002 0.000 0.462 119 G HA3 0.556 4.515 3.960 -0.002 0.000 0.462 119 G C -0.176 174.746 174.900 0.037 0.000 1.062 119 G CA 0.824 45.939 45.100 0.025 0.000 1.233 119 G HN 2.176 nan 8.290 nan 0.000 0.545 120 Q N -0.474 119.353 119.800 0.045 0.000 2.983 120 Q HA 0.800 5.139 4.340 -0.002 0.000 0.366 120 Q C -0.068 175.977 176.000 0.076 0.000 0.772 120 Q CA -0.915 54.930 55.803 0.070 0.000 0.857 120 Q CB 0.147 28.934 28.738 0.082 0.000 1.286 120 Q HN 0.315 nan 8.270 nan 0.000 0.489 121 Q N -0.533 119.330 119.800 0.104 0.000 2.417 121 Q HA 0.530 4.868 4.340 -0.002 0.000 0.241 121 Q C -0.028 176.006 176.000 0.057 0.000 1.008 121 Q CA 0.975 56.838 55.803 0.101 0.000 0.901 121 Q CB 0.298 29.113 28.738 0.129 0.000 1.259 121 Q HN 0.679 nan 8.270 nan 0.000 0.489 122 F N 0.080 120.058 119.950 0.047 0.000 2.727 122 F HA 0.354 4.880 4.527 -0.002 0.000 0.302 122 F C 0.691 176.500 175.800 0.014 0.000 1.097 122 F CA 0.318 58.334 58.000 0.027 0.000 1.330 122 F CB -0.307 38.708 39.000 0.024 0.000 1.084 122 F HN 0.659 nan 8.300 nan 0.000 0.578 123 Q N 0.628 120.436 119.800 0.013 0.000 2.867 123 Q HA -0.092 4.246 4.340 -0.002 0.000 0.141 123 Q C -2.980 173.014 176.000 -0.010 0.000 1.519 123 Q CA -0.144 55.653 55.803 -0.010 0.000 0.471 123 Q CB -1.690 27.032 28.738 -0.026 0.000 0.652 123 Q HN 0.476 nan 8.270 nan 0.000 0.319 124 P HA 0.233 nan 4.420 nan 0.000 0.269 124 P C -0.419 176.872 177.300 -0.016 0.000 1.217 124 P CA 0.946 64.044 63.100 -0.003 0.000 0.783 124 P CB 0.250 31.951 31.700 0.002 0.000 0.898 125 H N 1.149 120.213 119.070 -0.010 0.000 2.964 125 H HA 0.074 4.628 4.556 -0.002 0.000 0.328 125 H C 0.615 175.932 175.328 -0.019 0.000 1.030 125 H CA -0.444 55.595 56.048 -0.015 0.000 1.445 125 H CB -0.211 29.546 29.762 -0.008 0.000 1.449 125 H HN 0.384 nan 8.280 nan 0.000 0.581 126 Q N 1.088 120.871 119.800 -0.028 0.000 2.361 126 Q HA 0.321 4.660 4.340 -0.002 0.000 0.276 126 Q C 0.624 176.616 176.000 -0.013 0.000 1.022 126 Q CA 0.291 56.076 55.803 -0.031 0.000 0.898 126 Q CB 0.690 29.404 28.738 -0.041 0.000 1.246 126 Q HN 0.993 nan 8.270 nan 0.000 0.410 127 A N 5.346 128.162 122.820 -0.007 0.000 2.546 127 A HA 0.238 4.557 4.320 -0.002 0.000 0.243 127 A C -1.873 175.717 177.584 0.011 0.000 1.063 127 A CA -0.825 51.215 52.037 0.005 0.000 0.757 127 A CB -0.588 18.418 19.000 0.009 0.000 0.991 127 A HN 0.425 nan 8.150 nan 0.000 0.503 128 P HA 0.199 nan 4.420 nan 0.000 0.267 128 P C -2.398 174.931 177.300 0.048 0.000 1.200 128 P CA -0.767 62.354 63.100 0.036 0.000 0.772 128 P CB -0.292 31.433 31.700 0.041 0.000 0.855 129 P HA -0.105 nan 4.420 nan 0.000 0.261 129 P C 0.894 178.212 177.300 0.029 0.000 1.165 129 P CA 0.059 63.191 63.100 0.054 0.000 0.759 129 P CB 0.404 32.163 31.700 0.098 0.000 0.772 130 L N 5.996 127.219 121.223 0.000 0.000 2.081 130 L HA -0.213 4.125 4.340 -0.002 0.000 0.212 130 L C 2.178 179.023 176.870 -0.041 0.000 1.080 130 L CA 1.950 56.784 54.840 -0.010 0.000 0.754 130 L CB -1.050 41.003 42.059 -0.011 0.000 0.893 130 L HN 0.337 nan 8.230 nan 0.000 0.433 131 V N -3.859 115.993 119.914 -0.104 0.000 2.626 131 V HA -0.186 3.933 4.120 -0.002 0.000 0.252 131 V C 1.909 177.858 176.094 -0.243 0.000 1.067 131 V CA 1.639 63.824 62.300 -0.193 0.000 1.081 131 V CB -1.222 30.435 31.823 -0.276 0.000 0.686 131 V HN 0.546 nan 8.190 nan 0.000 0.468 132 H N -0.940 118.120 119.070 -0.015 0.000 2.517 132 H HA 0.456 5.011 4.556 -0.002 0.000 0.282 132 H C 1.624 176.940 175.328 -0.019 0.000 1.023 132 H CA 0.449 56.486 56.048 -0.019 0.000 1.169 132 H CB 0.814 30.567 29.762 -0.015 0.000 1.454 132 H HN 0.475 nan 8.280 nan 0.000 0.556 133 I N -0.524 120.081 120.570 0.058 0.000 3.300 133 I HA -0.080 4.089 4.170 -0.002 0.000 0.279 133 I C 1.866 177.986 176.117 0.004 0.000 1.172 133 I CA 0.299 61.618 61.300 0.032 0.000 1.431 133 I CB 0.514 38.529 38.000 0.025 0.000 1.240 133 I HN 0.096 nan 8.210 nan 0.000 0.453 134 L N 0.355 121.569 121.223 -0.016 0.000 2.109 134 L HA -0.144 4.195 4.340 -0.002 0.000 0.207 134 L C 2.352 179.183 176.870 -0.065 0.000 1.086 134 L CA 1.171 55.989 54.840 -0.037 0.000 0.760 134 L CB -0.321 41.715 42.059 -0.038 0.000 0.910 134 L HN 0.258 nan 8.230 nan 0.000 0.437 135 L N -0.384 120.807 121.223 -0.052 0.000 2.275 135 L HA -0.178 4.161 4.340 -0.002 0.000 0.215 135 L C 1.541 178.380 176.870 -0.051 0.000 1.119 135 L CA 0.776 55.584 54.840 -0.052 0.000 0.790 135 L CB -0.325 41.731 42.059 -0.006 0.000 0.919 135 L HN 0.227 nan 8.230 nan 0.000 0.443 136 D N -0.336 120.050 120.400 -0.023 0.000 2.363 136 D HA -0.029 4.609 4.640 -0.002 0.000 0.220 136 D C 2.061 178.332 176.300 -0.048 0.000 0.994 136 D CA 0.654 54.642 54.000 -0.021 0.000 0.890 136 D CB 0.118 40.923 40.800 0.008 0.000 0.906 136 D HN 0.314 nan 8.370 nan 0.000 0.530 137 I N -0.179 120.336 120.570 -0.091 0.000 2.546 137 I HA -0.081 4.088 4.170 -0.002 0.000 0.255 137 I C 0.476 176.445 176.117 -0.247 0.000 1.163 137 I CA 0.341 61.571 61.300 -0.115 0.000 1.457 137 I CB 0.046 37.973 38.000 -0.122 0.000 1.092 137 I HN -0.216 nan 8.210 nan 0.000 0.434 138 V N 4.596 124.305 119.914 -0.341 0.000 2.389 138 V HA 0.171 4.290 4.120 -0.002 0.000 0.264 138 V C -1.778 174.270 176.094 -0.077 0.000 1.049 138 V CA -1.325 60.774 62.300 -0.336 0.000 0.932 138 V CB 0.062 31.684 31.823 -0.335 0.000 1.011 138 V HN 0.092 nan 8.190 nan 0.000 0.475 139 P HA 0.301 nan 4.420 nan 0.000 0.276 139 P C 0.352 177.632 177.300 -0.033 0.000 1.252 139 P CA -0.208 62.885 63.100 -0.013 0.000 0.802 139 P CB 1.414 33.098 31.700 -0.027 0.000 1.035 140 T N -1.318 113.200 114.554 -0.059 0.000 3.071 140 T HA 0.047 4.395 4.350 -0.002 0.000 0.239 140 T C 0.761 175.401 174.700 -0.101 0.000 0.997 140 T CA 0.677 62.742 62.100 -0.057 0.000 1.134 140 T CB -0.254 68.592 68.868 -0.037 0.000 0.928 140 T HN 0.422 nan 8.240 nan 0.000 0.453 141 N N 2.234 120.863 118.700 -0.117 0.000 2.621 141 N HA 0.218 4.957 4.740 -0.002 0.000 0.237 141 N C -2.228 173.115 175.510 -0.279 0.000 0.997 141 N CA -2.141 50.815 53.050 -0.158 0.000 0.918 141 N CB 1.904 40.360 38.487 -0.052 0.000 1.122 141 N HN 0.025 nan 8.380 nan 0.000 0.510 142 P HA -0.068 nan 4.420 nan 0.000 0.222 142 P C 1.100 177.993 177.300 -0.678 0.000 1.147 142 P CA 0.930 63.544 63.100 -0.809 0.000 0.790 142 P CB 0.046 30.699 31.700 -1.745 0.000 0.780 143 F N 0.500 120.244 119.950 -0.343 0.000 2.163 143 F HA 0.012 4.538 4.527 -0.001 0.000 0.297 143 F C 2.779 178.472 175.800 -0.177 0.000 1.094 143 F CA 1.019 58.876 58.000 -0.238 0.000 1.290 143 F CB -1.383 37.523 39.000 -0.158 0.000 1.017 143 F HN -0.039 nan 8.300 nan 0.000 0.483 144 G N 0.042 108.853 108.800 0.019 0.000 2.418 144 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.217 144 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.217 144 G C 1.882 176.756 174.900 -0.044 0.000 1.158 144 G CA 0.840 45.933 45.100 -0.011 0.000 0.771 144 G HN 0.422 nan 8.290 nan 0.000 0.545 145 A N 0.911 123.679 122.820 -0.088 0.000 1.873 145 A HA -0.060 4.259 4.320 -0.002 0.000 0.218 145 A C 2.446 179.995 177.584 -0.058 0.000 1.193 145 A CA 1.605 53.599 52.037 -0.072 0.000 0.629 145 A CB -0.538 18.407 19.000 -0.092 0.000 0.826 145 A HN 0.361 nan 8.150 nan 0.000 0.447 146 L N -1.058 120.109 121.223 -0.094 0.000 2.046 146 L HA -0.205 4.134 4.340 -0.002 0.000 0.208 146 L C 3.121 179.970 176.870 -0.036 0.000 1.077 146 L CA 1.121 55.913 54.840 -0.081 0.000 0.747 146 L CB -0.840 41.133 42.059 -0.143 0.000 0.896 146 L HN 0.479 nan 8.230 nan 0.000 0.432 147 A N 0.993 123.799 122.820 -0.024 0.000 1.940 147 A HA -0.181 4.138 4.320 -0.002 0.000 0.219 147 A C 0.621 178.197 177.584 -0.013 0.000 1.176 147 A CA 1.920 53.949 52.037 -0.013 0.000 0.631 147 A CB -0.689 18.307 19.000 -0.007 0.000 0.814 147 A HN 0.681 nan 8.150 nan 0.000 0.446 148 N N -2.298 116.393 118.700 -0.014 0.000 2.549 148 N HA 0.476 5.215 4.740 -0.002 0.000 0.281 148 N C 0.550 176.056 175.510 -0.008 0.000 1.084 148 N CA 0.074 53.117 53.050 -0.011 0.000 0.862 148 N CB 0.866 39.346 38.487 -0.011 0.000 1.333 148 N HN 0.521 nan 8.380 nan 0.000 0.523 149 G N 2.035 110.833 108.800 -0.004 0.000 2.702 149 G HA2 -0.433 3.526 3.960 -0.002 0.000 0.342 149 G HA3 -0.433 3.526 3.960 -0.002 0.000 0.342 149 G C -0.288 174.618 174.900 0.010 0.000 1.258 149 G CA 0.960 46.062 45.100 0.003 0.000 0.990 149 G HN 0.936 nan 8.290 nan 0.000 0.548 150 Q N -1.719 118.089 119.800 0.013 0.000 2.453 150 Q HA -0.142 4.197 4.340 -0.002 0.000 0.350 150 Q C 1.317 177.342 176.000 0.042 0.000 1.447 150 Q CA 0.344 56.159 55.803 0.021 0.000 0.968 150 Q CB -1.459 27.285 28.738 0.010 0.000 1.175 150 Q HN 0.656 nan 8.270 nan 0.000 0.354 151 V N 0.196 120.139 119.914 0.047 0.000 2.358 151 V HA -0.259 3.860 4.120 -0.002 0.000 0.246 151 V C 1.899 178.051 176.094 0.096 0.000 1.047 151 V CA 2.020 64.362 62.300 0.069 0.000 1.035 151 V CB -0.222 31.633 31.823 0.054 0.000 0.658 151 V HN 0.504 nan 8.190 nan 0.000 0.452 152 L N 0.154 121.427 121.223 0.083 0.000 1.994 152 L HA -0.079 4.260 4.340 -0.002 0.000 0.208 152 L C -0.032 176.928 176.870 0.150 0.000 1.071 152 L CA 2.533 57.436 54.840 0.106 0.000 0.745 152 L CB -1.937 40.167 42.059 0.074 0.000 0.892 152 L HN 0.314 nan 8.230 nan 0.000 0.431 153 P HA -0.061 nan 4.420 nan 0.000 0.221 153 P C 1.588 179.027 177.300 0.232 0.000 1.150 153 P CA 1.145 64.338 63.100 0.156 0.000 0.800 153 P CB -0.058 31.683 31.700 0.069 0.000 0.787 154 T N -0.219 114.447 114.554 0.186 0.000 2.708 154 T HA -0.103 4.245 4.350 -0.002 0.000 0.266 154 T C 1.740 176.635 174.700 0.325 0.000 1.037 154 T CA 1.069 63.311 62.100 0.236 0.000 1.146 154 T CB -0.887 68.082 68.868 0.168 0.000 0.865 154 T HN 0.058 nan 8.240 nan 0.000 0.435 155 I N 0.359 121.094 120.570 0.275 0.000 2.194 155 I HA -0.202 3.966 4.170 -0.002 0.000 0.246 155 I C 2.125 178.425 176.117 0.305 0.000 1.093 155 I CA 1.521 62.990 61.300 0.282 0.000 1.355 155 I CB -0.382 37.778 38.000 0.266 0.000 1.046 155 I HN 0.179 nan 8.210 nan 0.000 0.413 156 F N 0.865 120.930 119.950 0.192 0.000 2.171 156 F HA -0.279 4.247 4.527 -0.002 0.000 0.300 156 F C 2.178 178.088 175.800 0.184 0.000 1.090 156 F CA 1.458 59.557 58.000 0.165 0.000 1.293 156 F CB -0.368 38.715 39.000 0.139 0.000 1.013 156 F HN -0.006 nan 8.300 nan 0.000 0.486 157 F N 0.678 120.687 119.950 0.098 0.000 2.128 157 F HA 0.033 4.559 4.527 -0.002 0.000 0.295 157 F C 2.331 178.157 175.800 0.044 0.000 1.100 157 F CA 1.250 59.261 58.000 0.018 0.000 1.260 157 F CB -1.117 37.929 39.000 0.077 0.000 1.009 157 F HN -0.025 nan 8.300 nan 0.000 0.476 158 A N 0.964 123.831 122.820 0.079 0.000 1.883 158 A HA -0.192 4.127 4.320 -0.002 0.000 0.217 158 A C 2.364 179.813 177.584 -0.224 0.000 1.186 158 A CA 2.185 54.180 52.037 -0.071 0.000 0.624 158 A CB -1.283 17.768 19.000 0.084 0.000 0.822 158 A HN 0.496 nan 8.150 nan 0.000 0.444 159 I N -1.181 119.287 120.570 -0.169 0.000 2.252 159 I HA -0.213 3.955 4.170 -0.002 0.000 0.245 159 I C 2.218 178.153 176.117 -0.303 0.000 1.102 159 I CA 1.134 62.305 61.300 -0.215 0.000 1.385 159 I CB -0.261 37.629 38.000 -0.182 0.000 1.064 159 I HN 0.230 nan 8.210 nan 0.000 0.414 160 I N 0.139 120.456 120.570 -0.421 0.000 2.493 160 I HA -0.243 3.925 4.170 -0.002 0.000 0.254 160 I C 2.154 178.054 176.117 -0.361 0.000 1.160 160 I CA 1.207 62.255 61.300 -0.420 0.000 1.445 160 I CB -0.266 37.412 38.000 -0.536 0.000 1.086 160 I HN 0.156 nan 8.210 nan 0.000 0.433 161 L N 0.007 120.942 121.223 -0.480 0.000 2.131 161 L HA 0.087 4.426 4.340 -0.002 0.000 0.206 161 L C 2.328 179.036 176.870 -0.271 0.000 1.087 161 L CA 1.865 56.441 54.840 -0.440 0.000 0.767 161 L CB -1.183 40.485 42.059 -0.652 0.000 0.917 161 L HN 0.208 nan 8.230 nan 0.000 0.441 162 G N -0.676 107.968 108.800 -0.260 0.000 2.443 162 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.219 162 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.219 162 G C 1.471 176.301 174.900 -0.117 0.000 1.131 162 G CA 0.860 45.851 45.100 -0.182 0.000 0.775 162 G HN 0.363 nan 8.290 nan 0.000 0.547 163 I N 1.528 122.025 120.570 -0.123 0.000 2.353 163 I HA 0.061 4.230 4.170 -0.002 0.000 0.248 163 I C 3.039 179.168 176.117 0.020 0.000 1.119 163 I CA 0.969 62.246 61.300 -0.038 0.000 1.417 163 I CB -0.221 37.723 38.000 -0.094 0.000 1.078 163 I HN 0.187 nan 8.210 nan 0.000 0.421 164 A N -0.183 122.592 122.820 -0.075 0.000 1.930 164 A HA -0.138 4.181 4.320 -0.002 0.000 0.217 164 A C 2.389 179.978 177.584 0.009 0.000 1.175 164 A CA 1.408 53.413 52.037 -0.053 0.000 0.627 164 A CB -0.788 18.154 19.000 -0.098 0.000 0.815 164 A HN 0.419 nan 8.150 nan 0.000 0.443 165 I N -1.172 119.384 120.570 -0.024 0.000 2.761 165 I HA -0.114 4.054 4.170 -0.002 0.000 0.261 165 I C 2.190 178.308 176.117 0.001 0.000 1.198 165 I CA 1.264 62.553 61.300 -0.019 0.000 1.482 165 I CB 0.120 38.086 38.000 -0.058 0.000 1.100 165 I HN 0.258 nan 8.210 nan 0.000 0.445 166 T N -0.269 114.298 114.554 0.021 0.000 2.809 166 T HA -0.136 4.213 4.350 -0.002 0.000 0.260 166 T C 1.522 176.221 174.700 -0.001 0.000 1.039 166 T CA 1.242 63.341 62.100 -0.001 0.000 1.141 166 T CB -0.250 68.609 68.868 -0.015 0.000 0.869 166 T HN 0.287 nan 8.240 nan 0.000 0.437 167 Y N 0.652 120.920 120.300 -0.054 0.000 2.403 167 Y HA 0.027 4.576 4.550 -0.002 0.000 0.291 167 Y C 1.959 177.839 175.900 -0.034 0.000 1.143 167 Y CA 0.335 58.410 58.100 -0.042 0.000 1.257 167 Y CB -0.214 38.220 38.460 -0.043 0.000 0.984 167 Y HN 0.118 nan 8.280 nan 0.000 0.550 168 L N -0.920 120.366 121.223 0.105 0.000 2.131 168 L HA -0.141 4.198 4.340 -0.002 0.000 0.206 168 L C 2.064 178.944 176.870 0.018 0.000 1.087 168 L CA 1.594 56.466 54.840 0.053 0.000 0.767 168 L CB -0.542 41.537 42.059 0.033 0.000 0.917 168 L HN 0.208 nan 8.230 nan 0.000 0.441 169 M N -0.761 118.837 119.600 -0.002 0.000 2.394 169 M HA -0.104 4.375 4.480 -0.002 0.000 0.264 169 M C 0.702 176.984 176.300 -0.031 0.000 1.073 169 M CA 0.809 56.097 55.300 -0.019 0.000 1.111 169 M CB -0.136 32.446 32.600 -0.030 0.000 1.401 169 M HN 0.219 nan 8.290 nan 0.000 0.448 170 N N 0.594 119.267 118.700 -0.045 0.000 2.313 170 N HA 0.109 4.848 4.740 -0.002 0.000 0.207 170 N C 0.219 175.709 175.510 -0.032 0.000 1.141 170 N CA 0.207 53.222 53.050 -0.058 0.000 0.830 170 N CB -0.405 38.014 38.487 -0.112 0.000 1.008 170 N HN 0.244 nan 8.380 nan 0.000 0.481 171 S N 0.216 115.909 115.700 -0.012 0.000 2.580 171 S HA 0.434 4.903 4.470 -0.002 0.000 0.274 171 S C 1.353 175.950 174.600 -0.004 0.000 1.329 171 S CA 0.007 58.207 58.200 0.000 0.000 1.036 171 S CB 0.266 63.472 63.200 0.011 0.000 0.919 171 S HN 0.350 nan 8.310 nan 0.000 0.515 172 E N 1.322 121.521 120.200 -0.001 0.000 2.418 172 E HA -0.026 4.323 4.350 -0.002 0.000 0.197 172 E C 0.576 177.176 176.600 -0.001 0.000 1.026 172 E CA 0.830 57.228 56.400 -0.003 0.000 0.862 172 E CB -0.479 29.221 29.700 -0.001 0.000 0.799 172 E HN 0.737 nan 8.360 nan 0.000 0.518 173 N N 0.282 118.983 118.700 0.002 0.000 2.426 173 N HA 0.238 4.977 4.740 -0.002 0.000 0.275 173 N C -0.423 175.088 175.510 0.002 0.000 1.019 173 N CA -0.293 52.759 53.050 0.003 0.000 0.941 173 N CB 1.607 40.098 38.487 0.006 0.000 1.123 173 N HN 0.061 nan 8.380 nan 0.000 0.486 174 E N 2.164 122.365 120.200 0.001 0.000 2.336 174 E HA 0.189 4.538 4.350 -0.002 0.000 0.214 174 E C -0.088 176.513 176.600 0.002 0.000 1.144 174 E CA 0.198 56.598 56.400 0.000 0.000 1.294 174 E CB 0.069 29.768 29.700 -0.002 0.000 1.263 174 E HN 0.611 nan 8.360 nan 0.000 0.439 175 K N -1.483 118.920 120.400 0.005 0.000 2.387 175 K HA 0.175 4.494 4.320 -0.002 0.000 0.197 175 K C 1.971 178.576 176.600 0.008 0.000 1.127 175 K CA 0.744 57.035 56.287 0.007 0.000 0.950 175 K CB 0.394 32.899 32.500 0.008 0.000 1.017 175 K HN 0.094 nan 8.250 nan 0.000 0.519 176 V N 1.769 121.689 119.914 0.009 0.000 2.488 176 V HA -0.122 3.997 4.120 -0.002 0.000 0.246 176 V C 2.410 178.509 176.094 0.009 0.000 1.046 176 V CA 2.523 64.830 62.300 0.011 0.000 1.053 176 V CB -1.166 30.665 31.823 0.013 0.000 0.679 176 V HN 0.272 nan 8.190 nan 0.000 0.458 177 R N 0.323 120.826 120.500 0.004 0.000 2.153 177 R HA 0.081 4.420 4.340 -0.002 0.000 0.218 177 R C 2.462 178.762 176.300 -0.001 0.000 1.072 177 R CA 2.103 58.202 56.100 -0.001 0.000 0.990 177 R CB -1.386 28.911 30.300 -0.006 0.000 0.889 177 R HN 0.799 nan 8.270 nan 0.000 0.452 178 K N 0.987 121.388 120.400 0.002 0.000 2.097 178 K HA -0.082 4.236 4.320 -0.002 0.000 0.205 178 K C 2.417 179.021 176.600 0.006 0.000 1.050 178 K CA 1.926 58.215 56.287 0.003 0.000 0.938 178 K CB -0.804 31.698 32.500 0.004 0.000 0.718 178 K HN 0.754 nan 8.250 nan 0.000 0.442 179 S N -0.048 115.658 115.700 0.009 0.000 2.446 179 S HA 0.262 4.731 4.470 -0.002 0.000 0.225 179 S C 2.501 177.109 174.600 0.013 0.000 1.016 179 S CA 0.741 58.949 58.200 0.013 0.000 0.943 179 S CB -0.008 63.202 63.200 0.017 0.000 0.786 179 S HN 0.682 nan 8.310 nan 0.000 0.508 180 A N 2.119 124.944 122.820 0.008 0.000 1.855 180 A HA 0.083 4.402 4.320 -0.002 0.000 0.215 180 A C 2.370 179.952 177.584 -0.003 0.000 1.191 180 A CA 2.011 54.050 52.037 0.003 0.000 0.613 180 A CB -1.649 17.352 19.000 0.001 0.000 0.829 180 A HN 0.698 nan 8.150 nan 0.000 0.442 181 E N -0.186 120.012 120.200 -0.005 0.000 2.058 181 E HA -0.224 4.125 4.350 -0.002 0.000 0.194 181 E C 2.055 178.653 176.600 -0.003 0.000 0.997 181 E CA 2.509 58.904 56.400 -0.008 0.000 0.801 181 E CB -1.979 27.717 29.700 -0.008 0.000 0.746 181 E HN 0.843 nan 8.360 nan 0.000 0.450 182 T N 0.178 114.734 114.554 0.003 0.000 2.684 182 T HA -0.160 4.189 4.350 -0.002 0.000 0.267 182 T C 2.101 176.808 174.700 0.011 0.000 1.036 182 T CA 1.561 63.666 62.100 0.008 0.000 1.148 182 T CB -0.488 68.388 68.868 0.013 0.000 0.863 182 T HN 0.308 nan 8.240 nan 0.000 0.436 183 L N 0.766 121.997 121.223 0.013 0.000 2.017 183 L HA 0.160 4.498 4.340 -0.002 0.000 0.208 183 L C 2.415 179.285 176.870 -0.000 0.000 1.073 183 L CA 1.409 56.260 54.840 0.018 0.000 0.745 183 L CB -0.882 41.192 42.059 0.024 0.000 0.894 183 L HN 0.274 nan 8.230 nan 0.000 0.432 184 L N -0.796 120.418 121.223 -0.016 0.000 2.012 184 L HA -0.244 4.095 4.340 -0.002 0.000 0.210 184 L C 2.207 179.061 176.870 -0.026 0.000 1.073 184 L CA 1.811 56.630 54.840 -0.035 0.000 0.748 184 L CB -0.513 41.523 42.059 -0.039 0.000 0.891 184 L HN 0.346 nan 8.230 nan 0.000 0.431 185 D N -0.450 119.943 120.400 -0.012 0.000 2.144 185 D HA -0.147 4.492 4.640 -0.002 0.000 0.200 185 D C 2.158 178.461 176.300 0.006 0.000 0.978 185 D CA 1.307 55.305 54.000 -0.004 0.000 0.833 185 D CB 0.021 40.821 40.800 -0.000 0.000 0.961 185 D HN 0.457 nan 8.370 nan 0.000 0.470 186 A N 1.041 123.868 122.820 0.012 0.000 1.865 186 A HA -0.190 4.128 4.320 -0.002 0.000 0.217 186 A C 2.411 180.011 177.584 0.027 0.000 1.191 186 A CA 1.163 53.215 52.037 0.025 0.000 0.623 186 A CB -0.892 18.128 19.000 0.034 0.000 0.826 186 A HN 0.229 nan 8.150 nan 0.000 0.444 187 I N -0.187 120.390 120.570 0.012 0.000 2.264 187 I HA -0.276 3.893 4.170 -0.002 0.000 0.248 187 I C 2.307 178.417 176.117 -0.012 0.000 1.111 187 I CA 1.711 63.004 61.300 -0.012 0.000 1.382 187 I CB -0.379 37.568 38.000 -0.089 0.000 1.060 187 I HN 0.396 nan 8.210 nan 0.000 0.418 188 N N 1.042 119.737 118.700 -0.008 0.000 2.396 188 N HA -0.079 4.660 4.740 -0.002 0.000 0.180 188 N C 1.747 177.281 175.510 0.040 0.000 1.028 188 N CA 1.197 54.254 53.050 0.011 0.000 0.893 188 N CB -0.153 38.333 38.487 -0.001 0.000 0.967 188 N HN 0.306 nan 8.380 nan 0.000 0.440 189 G N 0.537 109.358 108.800 0.036 0.000 2.414 189 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.215 189 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.215 189 G C 1.379 176.316 174.900 0.063 0.000 1.188 189 G CA 0.712 45.839 45.100 0.046 0.000 0.783 189 G HN 0.335 nan 8.290 nan 0.000 0.537 190 L N 1.616 122.876 121.223 0.061 0.000 2.042 190 L HA 0.063 4.402 4.340 -0.002 0.000 0.210 190 L C 3.092 180.011 176.870 0.082 0.000 1.076 190 L CA 2.039 56.921 54.840 0.070 0.000 0.749 190 L CB -0.967 41.140 42.059 0.079 0.000 0.893 190 L HN 0.281 nan 8.230 nan 0.000 0.432 191 A N -0.655 122.220 122.820 0.092 0.000 1.849 191 A HA -0.304 4.015 4.320 -0.002 0.000 0.217 191 A C 2.235 179.998 177.584 0.298 0.000 1.202 191 A CA 2.092 54.228 52.037 0.165 0.000 0.629 191 A CB -0.987 18.113 19.000 0.166 0.000 0.834 191 A HN 0.485 nan 8.150 nan 0.000 0.447 192 E N -0.417 119.930 120.200 0.244 0.000 2.160 192 E HA -0.031 4.318 4.350 -0.002 0.000 0.195 192 E C 2.139 178.862 176.600 0.205 0.000 0.991 192 E CA 1.179 57.726 56.400 0.245 0.000 0.810 192 E CB -0.412 29.357 29.700 0.116 0.000 0.742 192 E HN 0.577 nan 8.360 nan 0.000 0.466 193 A N 0.643 123.543 122.820 0.135 0.000 1.841 193 A HA -0.248 4.071 4.320 -0.002 0.000 0.216 193 A C 2.016 179.652 177.584 0.087 0.000 1.199 193 A CA 2.169 54.263 52.037 0.093 0.000 0.621 193 A CB -0.518 18.522 19.000 0.066 0.000 0.835 193 A HN 0.188 nan 8.150 nan 0.000 0.445 194 M N -1.422 118.207 119.600 0.049 0.000 2.144 194 M HA -0.169 4.310 4.480 -0.002 0.000 0.260 194 M C 2.045 178.332 176.300 -0.022 0.000 1.067 194 M CA 1.319 56.605 55.300 -0.022 0.000 1.095 194 M CB -1.869 30.666 32.600 -0.108 0.000 1.365 194 M HN 0.554 nan 8.290 nan 0.000 0.406 195 Y N 1.128 121.461 120.300 0.055 0.000 2.274 195 Y HA -0.223 4.326 4.550 -0.002 0.000 0.290 195 Y C 2.887 178.814 175.900 0.045 0.000 1.145 195 Y CA 2.283 60.416 58.100 0.054 0.000 1.203 195 Y CB -0.758 37.737 38.460 0.058 0.000 0.984 195 Y HN 0.432 nan 8.280 nan 0.000 0.533 196 K N 0.700 121.216 120.400 0.192 0.000 2.155 196 K HA -0.028 4.290 4.320 -0.002 0.000 0.203 196 K C 1.602 178.257 176.600 0.091 0.000 1.052 196 K CA 1.581 57.940 56.287 0.121 0.000 0.948 196 K CB -1.205 31.351 32.500 0.093 0.000 0.728 196 K HN 0.473 nan 8.250 nan 0.000 0.448 197 I N 0.123 120.739 120.570 0.077 0.000 2.315 197 I HA -0.167 4.002 4.170 -0.002 0.000 0.248 197 I C 2.367 178.524 176.117 0.066 0.000 1.117 197 I CA 0.730 62.064 61.300 0.058 0.000 1.404 197 I CB -0.164 37.857 38.000 0.035 0.000 1.071 197 I HN 0.150 nan 8.210 nan 0.000 0.419 198 V N 1.545 121.500 119.914 0.069 0.000 2.490 198 V HA -0.249 3.870 4.120 -0.002 0.000 0.250 198 V C 2.138 178.295 176.094 0.106 0.000 1.061 198 V CA 1.996 64.342 62.300 0.077 0.000 1.064 198 V CB -0.643 31.218 31.823 0.064 0.000 0.670 198 V HN 0.471 nan 8.190 nan 0.000 0.461 199 N N 0.002 118.764 118.700 0.103 0.000 2.188 199 N HA -0.113 4.625 4.740 -0.002 0.000 0.184 199 N C 1.738 177.306 175.510 0.097 0.000 1.018 199 N CA 1.390 54.497 53.050 0.095 0.000 0.858 199 N CB -0.250 38.286 38.487 0.082 0.000 0.989 199 N HN 0.579 nan 8.380 nan 0.000 0.426 200 G N 1.762 110.618 108.800 0.093 0.000 2.434 200 G HA2 -0.152 3.806 3.960 -0.002 0.000 0.214 200 G HA3 -0.152 3.806 3.960 -0.002 0.000 0.214 200 G C 1.817 176.797 174.900 0.133 0.000 1.202 200 G CA 1.143 46.300 45.100 0.096 0.000 0.788 200 G HN 0.283 nan 8.290 nan 0.000 0.539 201 V N 0.839 120.839 119.914 0.143 0.000 2.453 201 V HA -0.116 4.003 4.120 -0.002 0.000 0.252 201 V C 2.635 178.920 176.094 0.318 0.000 1.068 201 V CA 2.664 65.095 62.300 0.218 0.000 1.070 201 V CB -0.367 31.555 31.823 0.165 0.000 0.664 201 V HN 0.289 nan 8.190 nan 0.000 0.461 202 M N -1.283 118.460 119.600 0.238 0.000 2.557 202 M HA -0.084 4.395 4.480 -0.002 0.000 0.259 202 M C 2.094 178.466 176.300 0.121 0.000 1.086 202 M CA 1.494 56.920 55.300 0.211 0.000 1.096 202 M CB -0.110 32.582 32.600 0.154 0.000 1.424 202 M HN 0.736 nan 8.290 nan 0.000 0.488 203 Q N -0.939 118.941 119.800 0.132 0.000 2.245 203 Q HA -0.128 4.211 4.340 -0.002 0.000 0.201 203 Q C 1.583 177.638 176.000 0.093 0.000 0.955 203 Q CA 1.140 57.001 55.803 0.098 0.000 0.870 203 Q CB -0.209 28.598 28.738 0.115 0.000 0.945 203 Q HN 0.498 nan 8.270 nan 0.000 0.461 204 Y N -0.248 120.062 120.300 0.017 0.000 2.516 204 Y HA 0.150 4.699 4.550 -0.002 0.000 0.291 204 Y C 1.714 177.527 175.900 -0.145 0.000 1.131 204 Y CA 0.502 58.592 58.100 -0.016 0.000 1.281 204 Y CB -0.408 38.096 38.460 0.074 0.000 1.013 204 Y HN 0.155 nan 8.280 nan 0.000 0.554 205 A N 1.894 124.536 122.820 -0.298 0.000 1.896 205 A HA -0.240 4.078 4.320 -0.002 0.000 0.220 205 A C 0.083 177.233 177.584 -0.723 0.000 1.206 205 A CA 2.181 53.713 52.037 -0.841 0.000 0.647 205 A CB -2.091 16.627 19.000 -0.471 0.000 0.828 205 A HN 0.447 nan 8.150 nan 0.000 0.455 206 P HA -0.134 nan 4.420 nan 0.000 0.219 206 P C 1.340 178.460 177.300 -0.299 0.000 1.146 206 P CA 0.966 63.888 63.100 -0.297 0.000 0.808 206 P CB -0.156 31.415 31.700 -0.215 0.000 0.779 207 I N 0.224 120.515 120.570 -0.465 0.000 2.233 207 I HA -0.055 4.114 4.170 -0.002 0.000 0.243 207 I C 2.683 178.612 176.117 -0.314 0.000 1.093 207 I CA 1.518 62.570 61.300 -0.413 0.000 1.380 207 I CB -2.109 35.554 38.000 -0.562 0.000 1.067 207 I HN -0.006 nan 8.210 nan 0.000 0.413 208 G N 0.628 109.043 108.800 -0.642 0.000 2.421 208 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.216 208 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.216 208 G C 1.881 176.698 174.900 -0.138 0.000 1.171 208 G CA 1.041 45.971 45.100 -0.283 0.000 0.775 208 G HN 0.236 nan 8.290 nan 0.000 0.543 209 V N 0.732 120.459 119.914 -0.312 0.000 2.231 209 V HA -0.256 3.862 4.120 -0.002 0.000 0.250 209 V C 2.347 178.458 176.094 0.027 0.000 1.058 209 V CA 2.323 64.561 62.300 -0.104 0.000 1.022 209 V CB -0.776 30.967 31.823 -0.134 0.000 0.640 209 V HN 0.433 nan 8.190 nan 0.000 0.445 210 F N 1.485 121.378 119.950 -0.095 0.000 2.063 210 F HA -0.289 4.236 4.527 -0.002 0.000 0.298 210 F C 2.214 178.035 175.800 0.034 0.000 1.109 210 F CA 2.184 60.166 58.000 -0.030 0.000 1.212 210 F CB -0.507 38.461 39.000 -0.054 0.000 0.973 210 F HN 0.084 nan 8.300 nan 0.000 0.480 211 A N 0.072 122.914 122.820 0.036 0.000 2.121 211 A HA -0.000 4.319 4.320 -0.002 0.000 0.218 211 A C 2.172 179.745 177.584 -0.019 0.000 1.154 211 A CA 1.283 53.309 52.037 -0.019 0.000 0.679 211 A CB -0.865 18.296 19.000 0.268 0.000 0.795 211 A HN 0.573 nan 8.150 nan 0.000 0.458 212 L N -0.817 120.419 121.223 0.021 0.000 2.130 212 L HA -0.040 4.298 4.340 -0.002 0.000 0.200 212 L C 2.093 179.007 176.870 0.073 0.000 1.075 212 L CA 0.982 55.869 54.840 0.079 0.000 0.768 212 L CB -0.386 41.748 42.059 0.124 0.000 0.933 212 L HN 0.490 nan 8.230 nan 0.000 0.451 213 I N -1.398 119.189 120.570 0.027 0.000 3.176 213 I HA 0.004 4.173 4.170 -0.002 0.000 0.275 213 I C 2.347 178.430 176.117 -0.058 0.000 1.298 213 I CA 0.958 62.271 61.300 0.021 0.000 1.445 213 I CB -1.108 36.933 38.000 0.068 0.000 1.075 213 I HN 0.012 nan 8.210 nan 0.000 0.482 214 A N -0.007 122.711 122.820 -0.170 0.000 2.066 214 A HA -0.126 4.193 4.320 -0.002 0.000 0.218 214 A C 2.241 179.800 177.584 -0.041 0.000 1.157 214 A CA 1.292 53.192 52.037 -0.229 0.000 0.670 214 A CB -0.778 17.909 19.000 -0.521 0.000 0.804 214 A HN 0.573 nan 8.150 nan 0.000 0.453 215 Y N -0.508 119.736 120.300 -0.095 0.000 2.266 215 Y HA 0.037 4.586 4.550 -0.002 0.000 0.294 215 Y C 2.253 178.136 175.900 -0.029 0.000 1.127 215 Y CA 1.312 59.387 58.100 -0.041 0.000 1.140 215 Y CB -0.115 38.333 38.460 -0.019 0.000 1.071 215 Y HN 0.002 nan 8.280 nan 0.000 0.525 216 V N 0.683 120.588 119.914 -0.014 0.000 2.392 216 V HA -0.346 3.773 4.120 -0.002 0.000 0.249 216 V C 2.216 178.232 176.094 -0.130 0.000 1.059 216 V CA 2.039 64.286 62.300 -0.089 0.000 1.051 216 V CB -0.620 31.207 31.823 0.007 0.000 0.658 216 V HN 0.443 nan 8.190 nan 0.000 0.455 217 M N -0.712 118.839 119.600 -0.082 0.000 2.419 217 M HA 0.067 4.546 4.480 -0.002 0.000 0.264 217 M C 2.204 178.452 176.300 -0.086 0.000 1.082 217 M CA 1.578 56.841 55.300 -0.062 0.000 1.119 217 M CB -1.315 31.273 32.600 -0.020 0.000 1.398 217 M HN 0.401 nan 8.290 nan 0.000 0.453 218 A N -0.296 122.442 122.820 -0.138 0.000 1.903 218 A HA -0.031 4.288 4.320 -0.002 0.000 0.213 218 A C 2.150 179.616 177.584 -0.197 0.000 1.185 218 A CA 0.933 52.895 52.037 -0.126 0.000 0.628 218 A CB -0.190 18.756 19.000 -0.090 0.000 0.830 218 A HN 0.370 nan 8.150 nan 0.000 0.446 219 E N -0.726 119.252 120.200 -0.371 0.000 2.250 219 E HA -0.018 4.330 4.350 -0.002 0.000 0.192 219 E C 1.196 177.654 176.600 -0.237 0.000 0.986 219 E CA 0.735 56.909 56.400 -0.377 0.000 0.849 219 E CB 0.168 29.449 29.700 -0.699 0.000 0.797 219 E HN 0.733 nan 8.360 nan 0.000 0.482 220 Q N -1.552 118.138 119.800 -0.184 0.000 2.113 220 Q HA 0.159 4.498 4.340 -0.002 0.000 0.225 220 Q C 1.593 177.573 176.000 -0.034 0.000 0.786 220 Q CA 0.228 55.986 55.803 -0.075 0.000 0.989 220 Q CB 1.376 30.069 28.738 -0.075 0.000 1.174 220 Q HN 0.120 nan 8.270 nan 0.000 0.470 221 G N 1.273 110.036 108.800 -0.062 0.000 2.404 221 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.214 221 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.214 221 G C 1.333 176.225 174.900 -0.014 0.000 1.189 221 G CA 0.913 45.993 45.100 -0.034 0.000 0.789 221 G HN 0.303 nan 8.290 nan 0.000 0.533 222 V N 0.273 120.152 119.914 -0.058 0.000 3.535 222 V HA 0.236 4.354 4.120 -0.002 0.000 0.276 222 V C 1.569 177.597 176.094 -0.109 0.000 1.227 222 V CA 2.047 64.232 62.300 -0.192 0.000 1.209 222 V CB -0.855 30.713 31.823 -0.424 0.000 0.969 222 V HN 0.482 nan 8.190 nan 0.000 0.469 223 H N -1.820 117.169 119.070 -0.136 0.000 3.360 223 H HA 0.252 4.807 4.556 -0.002 0.000 0.262 223 H C 1.413 176.697 175.328 -0.072 0.000 1.149 223 H CA 0.844 56.828 56.048 -0.108 0.000 1.181 223 H CB 1.239 30.934 29.762 -0.111 0.000 1.564 223 H HN 0.148 nan 8.280 nan 0.000 0.565 224 V N 0.658 120.535 119.914 -0.062 0.000 3.510 224 V HA 0.256 4.375 4.120 -0.002 0.000 0.270 224 V C 1.083 177.125 176.094 -0.086 0.000 1.201 224 V CA 0.791 63.026 62.300 -0.108 0.000 1.166 224 V CB -1.074 30.698 31.823 -0.085 0.000 0.825 224 V HN 0.363 nan 8.190 nan 0.000 0.484 225 V N -0.081 119.801 119.914 -0.053 0.000 3.319 225 V HA 0.701 4.820 4.120 -0.002 0.000 0.303 225 V C 1.160 177.229 176.094 -0.043 0.000 1.094 225 V CA 0.456 62.745 62.300 -0.017 0.000 1.106 225 V CB -0.008 31.835 31.823 0.034 0.000 1.099 225 V HN 0.828 nan 8.190 nan 0.000 0.476 226 G N 0.756 109.550 108.800 -0.010 0.000 2.542 226 G HA2 -0.185 3.774 3.960 -0.002 0.000 0.235 226 G HA3 -0.185 3.774 3.960 -0.002 0.000 0.235 226 G C 0.581 175.488 174.900 0.012 0.000 1.286 226 G CA 0.367 45.467 45.100 -0.000 0.000 0.904 226 G HN 1.055 nan 8.290 nan 0.000 0.577 227 E N -0.018 120.202 120.200 0.034 0.000 2.209 227 E HA -0.066 4.283 4.350 -0.002 0.000 0.196 227 E C 2.740 179.395 176.600 0.092 0.000 0.993 227 E CA 1.336 57.783 56.400 0.079 0.000 0.819 227 E CB -0.144 29.621 29.700 0.107 0.000 0.745 227 E HN 0.489 nan 8.360 nan 0.000 0.477 228 L N -0.191 121.044 121.223 0.020 0.000 2.376 228 L HA -0.053 4.286 4.340 -0.002 0.000 0.219 228 L C 2.381 179.203 176.870 -0.080 0.000 1.133 228 L CA 0.609 55.415 54.840 -0.057 0.000 0.816 228 L CB -0.295 41.667 42.059 -0.161 0.000 0.933 228 L HN 0.015 nan 8.230 nan 0.000 0.449 229 A N -0.005 122.782 122.820 -0.054 0.000 1.930 229 A HA -0.174 4.144 4.320 -0.002 0.000 0.217 229 A C 2.362 179.907 177.584 -0.065 0.000 1.175 229 A CA 1.287 53.287 52.037 -0.061 0.000 0.627 229 A CB -0.234 18.749 19.000 -0.029 0.000 0.815 229 A HN 0.249 nan 8.150 nan 0.000 0.443 230 K N -0.255 120.134 120.400 -0.019 0.000 2.097 230 K HA -0.078 4.241 4.320 -0.002 0.000 0.206 230 K C 1.891 178.403 176.600 -0.146 0.000 1.049 230 K CA 1.417 57.686 56.287 -0.031 0.000 0.933 230 K CB -0.276 32.279 32.500 0.093 0.000 0.717 230 K HN 0.381 nan 8.250 nan 0.000 0.442 231 V N 1.236 121.108 119.914 -0.070 0.000 2.270 231 V HA -0.247 3.872 4.120 -0.002 0.000 0.245 231 V C 2.418 178.432 176.094 -0.133 0.000 1.043 231 V CA 2.379 64.625 62.300 -0.089 0.000 1.014 231 V CB -1.167 30.582 31.823 -0.124 0.000 0.645 231 V HN 0.468 nan 8.190 nan 0.000 0.447 232 T N -0.026 114.446 114.554 -0.136 0.000 2.803 232 T HA -0.161 4.188 4.350 -0.002 0.000 0.269 232 T C 1.902 176.502 174.700 -0.166 0.000 1.052 232 T CA 1.538 63.549 62.100 -0.149 0.000 1.136 232 T CB -0.532 68.200 68.868 -0.227 0.000 0.864 232 T HN 0.517 nan 8.240 nan 0.000 0.467 233 A N 1.428 124.105 122.820 -0.238 0.000 1.970 233 A HA 0.538 4.856 4.320 -0.002 0.000 0.216 233 A C 2.676 179.933 177.584 -0.545 0.000 1.170 233 A CA 1.222 53.085 52.037 -0.290 0.000 0.645 233 A CB -0.994 17.852 19.000 -0.258 0.000 0.816 233 A HN 0.636 nan 8.150 nan 0.000 0.447 234 A N -0.622 121.748 122.820 -0.751 0.000 2.016 234 A HA 0.168 4.486 4.320 -0.002 0.000 0.217 234 A C 2.092 179.564 177.584 -0.185 0.000 1.162 234 A CA 1.484 53.080 52.037 -0.735 0.000 0.662 234 A CB -0.469 18.202 19.000 -0.548 0.000 0.812 234 A HN 0.310 nan 8.150 nan 0.000 0.450 235 V N -1.867 118.016 119.914 -0.050 0.000 2.379 235 V HA -0.159 3.960 4.120 -0.002 0.000 0.243 235 V C 2.265 178.439 176.094 0.134 0.000 1.035 235 V CA 1.404 63.758 62.300 0.090 0.000 1.035 235 V CB -1.031 30.907 31.823 0.191 0.000 0.673 235 V HN 0.579 nan 8.190 nan 0.000 0.457 236 Y N 0.195 120.475 120.300 -0.033 0.000 2.242 236 Y HA -0.115 4.434 4.550 -0.002 0.000 0.291 236 Y C 2.468 178.377 175.900 0.016 0.000 1.137 236 Y CA 1.103 59.209 58.100 0.010 0.000 1.181 236 Y CB -0.565 37.905 38.460 0.018 0.000 0.989 236 Y HN 0.005 nan 8.280 nan 0.000 0.527 237 V N -0.930 119.072 119.914 0.146 0.000 2.515 237 V HA -0.207 3.911 4.120 -0.002 0.000 0.250 237 V C 2.433 178.575 176.094 0.079 0.000 1.058 237 V CA 1.833 64.207 62.300 0.124 0.000 1.064 237 V CB -1.214 30.734 31.823 0.208 0.000 0.675 237 V HN 0.526 nan 8.190 nan 0.000 0.461 238 G N -0.270 108.567 108.800 0.062 0.000 2.408 238 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.217 238 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.217 238 G C 1.543 176.437 174.900 -0.010 0.000 1.150 238 G CA 0.657 45.774 45.100 0.027 0.000 0.776 238 G HN 0.482 nan 8.290 nan 0.000 0.542 239 L N 0.524 121.734 121.223 -0.023 0.000 2.109 239 L HA -0.019 4.319 4.340 -0.002 0.000 0.207 239 L C 3.107 179.949 176.870 -0.047 0.000 1.086 239 L CA 1.331 56.138 54.840 -0.056 0.000 0.760 239 L CB -0.649 41.324 42.059 -0.144 0.000 0.910 239 L HN 0.115 nan 8.230 nan 0.000 0.437 240 T N 0.073 114.606 114.554 -0.034 0.000 2.737 240 T HA -0.135 4.214 4.350 -0.002 0.000 0.265 240 T C 1.841 176.499 174.700 -0.070 0.000 1.038 240 T CA 1.153 63.231 62.100 -0.037 0.000 1.144 240 T CB -0.184 68.681 68.868 -0.006 0.000 0.866 240 T HN 0.051 nan 8.240 nan 0.000 0.434 241 L N 0.963 122.152 121.223 -0.057 0.000 2.291 241 L HA 0.038 4.376 4.340 -0.002 0.000 0.214 241 L C 2.554 179.345 176.870 -0.133 0.000 1.120 241 L CA 1.185 55.976 54.840 -0.081 0.000 0.799 241 L CB -0.612 41.420 42.059 -0.045 0.000 0.925 241 L HN 0.187 nan 8.230 nan 0.000 0.446 242 Q N 0.113 119.826 119.800 -0.146 0.000 2.016 242 Q HA -0.174 4.165 4.340 -0.002 0.000 0.200 242 Q C 2.184 177.955 176.000 -0.382 0.000 0.978 242 Q CA 1.907 57.549 55.803 -0.270 0.000 0.833 242 Q CB -0.254 28.346 28.738 -0.229 0.000 0.895 242 Q HN 0.495 nan 8.270 nan 0.000 0.427 243 I N -0.153 120.320 120.570 -0.162 0.000 2.208 243 I HA -0.270 3.899 4.170 -0.002 0.000 0.245 243 I C 2.036 178.142 176.117 -0.018 0.000 1.097 243 I CA 0.844 62.197 61.300 0.088 0.000 1.363 243 I CB -0.218 37.868 38.000 0.144 0.000 1.051 243 I HN 0.307 nan 8.210 nan 0.000 0.413 244 L N -0.438 120.670 121.223 -0.192 0.000 2.068 244 L HA -0.115 4.224 4.340 -0.002 0.000 0.204 244 L C 2.367 179.183 176.870 -0.091 0.000 1.076 244 L CA 1.360 56.050 54.840 -0.251 0.000 0.753 244 L CB -0.576 41.334 42.059 -0.248 0.000 0.910 244 L HN 0.280 nan 8.230 nan 0.000 0.439 245 L N -1.367 119.779 121.223 -0.129 0.000 2.270 245 L HA -0.025 4.314 4.340 -0.002 0.000 0.210 245 L C 2.231 178.980 176.870 -0.201 0.000 1.104 245 L CA 1.104 55.859 54.840 -0.141 0.000 0.804 245 L CB -0.230 41.731 42.059 -0.164 0.000 0.937 245 L HN 0.060 nan 8.230 nan 0.000 0.450 246 V N -2.499 117.258 119.914 -0.262 0.000 3.307 246 V HA -0.055 4.064 4.120 -0.002 0.000 0.244 246 V C 1.969 178.013 176.094 -0.083 0.000 1.196 246 V CA 0.382 62.489 62.300 -0.321 0.000 1.132 246 V CB 0.370 31.886 31.823 -0.511 0.000 0.875 246 V HN 0.244 nan 8.190 nan 0.000 0.468 247 Y N -1.484 118.853 120.300 0.061 0.000 2.230 247 Y HA -0.028 4.520 4.550 -0.002 0.000 0.294 247 Y C 2.209 178.184 175.900 0.124 0.000 1.120 247 Y CA 1.382 59.548 58.100 0.111 0.000 1.129 247 Y CB -0.138 38.434 38.460 0.186 0.000 1.040 247 Y HN 0.166 nan 8.280 nan 0.000 0.519 248 F N -0.706 119.306 119.950 0.103 0.000 2.365 248 F HA -0.202 4.324 4.527 -0.002 0.000 0.300 248 F C 1.991 177.800 175.800 0.015 0.000 1.090 248 F CA 0.432 58.456 58.000 0.040 0.000 1.408 248 F CB -0.064 38.962 39.000 0.044 0.000 1.060 248 F HN -0.109 nan 8.300 nan 0.000 0.534 249 V N -0.261 119.756 119.914 0.172 0.000 2.379 249 V HA -0.215 3.903 4.120 -0.002 0.000 0.243 249 V C 2.126 178.271 176.094 0.084 0.000 1.035 249 V CA 1.208 63.561 62.300 0.089 0.000 1.035 249 V CB -0.368 31.473 31.823 0.030 0.000 0.673 249 V HN 0.261 nan 8.190 nan 0.000 0.457 250 L N -0.781 120.496 121.223 0.089 0.000 2.141 250 L HA -0.139 4.199 4.340 -0.002 0.000 0.209 250 L C 2.356 179.269 176.870 0.072 0.000 1.094 250 L CA 0.891 55.798 54.840 0.111 0.000 0.763 250 L CB -0.325 41.806 42.059 0.120 0.000 0.908 250 L HN 0.317 nan 8.230 nan 0.000 0.437 251 L N 0.086 121.298 121.223 -0.019 0.000 2.005 251 L HA -0.198 4.141 4.340 -0.002 0.000 0.207 251 L C 2.529 179.370 176.870 -0.048 0.000 1.072 251 L CA 1.773 56.528 54.840 -0.141 0.000 0.744 251 L CB -0.496 41.352 42.059 -0.351 0.000 0.895 251 L HN 0.061 nan 8.230 nan 0.000 0.433 252 K N -0.432 119.951 120.400 -0.028 0.000 2.057 252 K HA -0.129 4.189 4.320 -0.002 0.000 0.207 252 K C 2.002 178.629 176.600 0.045 0.000 1.049 252 K CA 1.281 57.568 56.287 -0.001 0.000 0.931 252 K CB -0.410 32.097 32.500 0.013 0.000 0.714 252 K HN 0.244 nan 8.250 nan 0.000 0.440 253 I N 0.356 120.984 120.570 0.096 0.000 2.916 253 I HA -0.188 3.981 4.170 -0.002 0.000 0.267 253 I C 0.399 176.571 176.117 0.090 0.000 1.263 253 I CA 1.229 62.590 61.300 0.102 0.000 1.471 253 I CB -0.027 38.056 38.000 0.138 0.000 1.089 253 I HN 0.252 nan 8.210 nan 0.000 0.468 254 Y N 0.339 120.625 120.300 -0.023 0.000 2.507 254 Y HA 0.317 4.866 4.550 -0.002 0.000 0.254 254 Y C 1.526 177.403 175.900 -0.038 0.000 1.171 254 Y CA 0.282 58.366 58.100 -0.027 0.000 1.238 254 Y CB 0.211 38.651 38.460 -0.033 0.000 1.148 254 Y HN 0.268 nan 8.280 nan 0.000 0.525 255 G N 1.618 110.445 108.800 0.046 0.000 2.198 255 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.257 255 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.257 255 G C -0.088 174.815 174.900 0.004 0.000 1.042 255 G CA 0.369 45.473 45.100 0.007 0.000 0.791 255 G HN 0.408 nan 8.290 nan 0.000 0.502 256 I N -0.029 120.537 120.570 -0.007 0.000 2.436 256 I HA 0.514 4.682 4.170 -0.002 0.000 0.289 256 I C -0.304 175.775 176.117 -0.063 0.000 1.010 256 I CA -1.152 60.129 61.300 -0.031 0.000 1.098 256 I CB 1.355 39.333 38.000 -0.037 0.000 1.266 256 I HN 0.073 nan 8.210 nan 0.000 0.434 257 D N 8.973 129.349 120.400 -0.041 0.000 2.401 257 D HA 0.162 4.800 4.640 -0.002 0.000 0.254 257 D C -1.768 174.481 176.300 -0.084 0.000 1.192 257 D CA -1.192 52.778 54.000 -0.050 0.000 0.885 257 D CB 1.381 42.173 40.800 -0.013 0.000 1.147 257 D HN 0.298 nan 8.370 nan 0.000 0.478 258 P HA -0.142 nan 4.420 nan 0.000 0.215 258 P C 1.046 178.207 177.300 -0.232 0.000 1.157 258 P CA 1.052 63.872 63.100 -0.466 0.000 0.868 258 P CB 0.134 31.327 31.700 -0.845 0.000 0.788 259 I N -0.835 119.688 120.570 -0.078 0.000 2.353 259 I HA -0.144 4.024 4.170 -0.002 0.000 0.248 259 I C 2.740 178.910 176.117 0.088 0.000 1.119 259 I CA 1.964 63.296 61.300 0.053 0.000 1.417 259 I CB -1.658 36.390 38.000 0.079 0.000 1.078 259 I HN -0.104 nan 8.210 nan 0.000 0.421 260 S N 0.626 116.374 115.700 0.080 0.000 2.382 260 S HA -0.229 4.239 4.470 -0.002 0.000 0.228 260 S C 2.078 176.783 174.600 0.175 0.000 1.027 260 S CA 1.541 59.816 58.200 0.125 0.000 0.991 260 S CB -0.910 62.332 63.200 0.071 0.000 0.823 260 S HN 0.411 nan 8.310 nan 0.000 0.469 261 F N 1.467 121.392 119.950 -0.042 0.000 2.163 261 F HA -0.017 4.508 4.527 -0.002 0.000 0.297 261 F C 1.922 177.733 175.800 0.018 0.000 1.094 261 F CA 0.878 58.842 58.000 -0.059 0.000 1.290 261 F CB -0.021 38.896 39.000 -0.138 0.000 1.017 261 F HN 0.150 nan 8.300 nan 0.000 0.483 262 I N 1.663 122.332 120.570 0.164 0.000 2.179 262 I HA -0.278 3.891 4.170 -0.002 0.000 0.242 262 I C 2.765 178.900 176.117 0.031 0.000 1.088 262 I CA 1.885 63.258 61.300 0.122 0.000 1.357 262 I CB -1.881 36.263 38.000 0.240 0.000 1.051 262 I HN 0.252 nan 8.210 nan 0.000 0.409 263 K N -0.033 120.400 120.400 0.056 0.000 2.063 263 K HA -0.235 4.084 4.320 -0.002 0.000 0.208 263 K C 2.048 178.603 176.600 -0.075 0.000 1.048 263 K CA 2.092 58.382 56.287 0.004 0.000 0.928 263 K CB -1.534 30.977 32.500 0.019 0.000 0.713 263 K HN 0.477 nan 8.250 nan 0.000 0.442 264 H N -0.659 118.329 119.070 -0.138 0.000 2.428 264 H HA 0.310 4.865 4.556 -0.002 0.000 0.296 264 H C 2.380 177.571 175.328 -0.228 0.000 1.062 264 H CA 1.289 57.229 56.048 -0.179 0.000 1.350 264 H CB 0.097 29.729 29.762 -0.216 0.000 1.403 264 H HN 0.549 nan 8.280 nan 0.000 0.533 265 A N 0.836 123.534 122.820 -0.202 0.000 2.167 265 A HA 0.000 4.319 4.320 -0.002 0.000 0.214 265 A C 2.422 179.948 177.584 -0.097 0.000 1.151 265 A CA 1.155 53.050 52.037 -0.237 0.000 0.735 265 A CB -0.725 18.036 19.000 -0.399 0.000 0.802 265 A HN 0.473 nan 8.150 nan 0.000 0.467 266 K N 0.596 120.956 120.400 -0.066 0.000 2.052 266 K HA -0.310 4.009 4.320 -0.002 0.000 0.215 266 K C 1.586 178.179 176.600 -0.013 0.000 1.053 266 K CA 2.398 58.666 56.287 -0.031 0.000 0.934 266 K CB -1.303 31.175 32.500 -0.038 0.000 0.717 266 K HN 0.526 nan 8.250 nan 0.000 0.450 267 D N -0.497 119.894 120.400 -0.014 0.000 2.097 267 D HA 0.042 4.681 4.640 -0.002 0.000 0.195 267 D C 2.271 178.599 176.300 0.048 0.000 0.989 267 D CA 1.686 55.698 54.000 0.020 0.000 0.827 267 D CB -0.359 40.452 40.800 0.019 0.000 0.966 267 D HN 0.542 nan 8.370 nan 0.000 0.456 268 A N 0.101 122.936 122.820 0.023 0.000 1.898 268 A HA -0.144 4.175 4.320 -0.002 0.000 0.216 268 A C 2.178 179.797 177.584 0.059 0.000 1.181 268 A CA 1.386 53.445 52.037 0.036 0.000 0.620 268 A CB -0.559 18.440 19.000 -0.001 0.000 0.819 268 A HN 0.149 nan 8.150 nan 0.000 0.442 269 M N -0.564 119.064 119.600 0.046 0.000 2.080 269 M HA -0.072 4.407 4.480 -0.002 0.000 0.260 269 M C 1.914 178.286 176.300 0.120 0.000 1.068 269 M CA 1.589 56.934 55.300 0.075 0.000 1.109 269 M CB -0.307 32.322 32.600 0.049 0.000 1.342 269 M HN 0.399 nan 8.290 nan 0.000 0.405 270 L N -1.289 119.992 121.223 0.097 0.000 2.179 270 L HA -0.112 4.227 4.340 -0.002 0.000 0.208 270 L C 2.470 179.462 176.870 0.203 0.000 1.096 270 L CA 1.476 56.390 54.840 0.122 0.000 0.779 270 L CB -0.990 41.099 42.059 0.050 0.000 0.922 270 L HN 0.489 nan 8.230 nan 0.000 0.443 271 T N -2.817 111.859 114.554 0.204 0.000 2.857 271 T HA -0.046 4.303 4.350 -0.002 0.000 0.266 271 T C 1.972 176.806 174.700 0.223 0.000 1.048 271 T CA 0.809 63.084 62.100 0.290 0.000 1.139 271 T CB -0.223 68.843 68.868 0.329 0.000 0.874 271 T HN 0.247 nan 8.240 nan 0.000 0.455 272 A N 0.731 123.651 122.820 0.168 0.000 1.933 272 A HA 0.111 4.430 4.320 -0.002 0.000 0.218 272 A C 2.034 179.704 177.584 0.143 0.000 1.175 272 A CA 1.251 53.362 52.037 0.123 0.000 0.628 272 A CB -1.183 17.878 19.000 0.102 0.000 0.814 272 A HN 0.531 nan 8.150 nan 0.000 0.444 273 F N 0.600 120.587 119.950 0.061 0.000 2.234 273 F HA -0.141 4.385 4.527 -0.002 0.000 0.299 273 F C 2.162 178.008 175.800 0.076 0.000 1.087 273 F CA 1.919 59.954 58.000 0.057 0.000 1.340 273 F CB 0.221 39.254 39.000 0.055 0.000 1.031 273 F HN 0.139 nan 8.300 nan 0.000 0.500 274 V N -4.572 115.495 119.914 0.257 0.000 3.125 274 V HA 0.008 4.127 4.120 -0.002 0.000 0.249 274 V C 1.817 177.998 176.094 0.145 0.000 1.113 274 V CA 1.485 63.902 62.300 0.195 0.000 1.106 274 V CB -0.649 31.322 31.823 0.246 0.000 0.768 274 V HN 0.211 nan 8.190 nan 0.000 0.468 275 T N 0.031 114.672 114.554 0.145 0.000 2.809 275 T HA 0.054 4.403 4.350 -0.002 0.000 0.260 275 T C 1.115 175.822 174.700 0.011 0.000 1.039 275 T CA 1.329 63.471 62.100 0.071 0.000 1.141 275 T CB -0.289 68.588 68.868 0.015 0.000 0.869 275 T HN 0.549 nan 8.240 nan 0.000 0.437 276 R N 0.238 120.730 120.500 -0.012 0.000 3.776 276 R HA -0.110 4.229 4.340 -0.002 0.000 0.312 276 R C -0.314 175.963 176.300 -0.039 0.000 1.181 276 R CA 0.507 56.575 56.100 -0.053 0.000 0.836 276 R CB -2.113 28.141 30.300 -0.078 0.000 1.324 276 R HN 0.319 nan 8.270 nan 0.000 0.501 277 S N -1.024 114.662 115.700 -0.024 0.000 2.756 277 S HA 0.394 4.863 4.470 -0.002 0.000 0.303 277 S C 0.740 175.330 174.600 -0.016 0.000 1.135 277 S CA -0.305 57.880 58.200 -0.025 0.000 1.066 277 S CB 1.898 65.079 63.200 -0.033 0.000 1.008 277 S HN 0.233 nan 8.310 nan 0.000 0.482 278 S N 2.991 118.682 115.700 -0.014 0.000 2.368 278 S HA -0.097 4.372 4.470 -0.002 0.000 0.224 278 S C 2.152 176.748 174.600 -0.005 0.000 1.029 278 S CA 2.050 60.246 58.200 -0.006 0.000 0.988 278 S CB -0.312 62.881 63.200 -0.011 0.000 0.838 278 S HN 0.917 nan 8.310 nan 0.000 0.462 279 S N 0.425 116.120 115.700 -0.009 0.000 2.436 279 S HA 0.102 4.571 4.470 -0.002 0.000 0.228 279 S C 2.079 176.671 174.600 -0.014 0.000 1.014 279 S CA 1.031 59.228 58.200 -0.005 0.000 0.950 279 S CB -0.958 62.241 63.200 -0.002 0.000 0.784 279 S HN 0.510 nan 8.310 nan 0.000 0.504 280 G N 2.078 110.862 108.800 -0.027 0.000 2.440 280 G HA2 -0.152 3.806 3.960 -0.002 0.000 0.218 280 G HA3 -0.152 3.806 3.960 -0.002 0.000 0.218 280 G C 1.419 176.284 174.900 -0.059 0.000 1.154 280 G CA 1.367 46.437 45.100 -0.050 0.000 0.767 280 G HN 0.756 nan 8.290 nan 0.000 0.552 281 T N -1.018 113.516 114.554 -0.033 0.000 3.287 281 T HA 0.429 4.778 4.350 -0.002 0.000 0.253 281 T C 1.874 176.577 174.700 0.006 0.000 0.975 281 T CA -0.325 61.765 62.100 -0.017 0.000 0.912 281 T CB 0.149 69.026 68.868 0.016 0.000 1.071 281 T HN 0.126 nan 8.240 nan 0.000 0.578 282 L N 0.714 121.938 121.223 0.001 0.000 2.046 282 L HA 0.064 4.403 4.340 -0.002 0.000 0.208 282 L C -0.484 176.399 176.870 0.022 0.000 1.077 282 L CA 1.252 56.104 54.840 0.020 0.000 0.747 282 L CB -0.873 41.198 42.059 0.020 0.000 0.896 282 L HN 0.286 nan 8.230 nan 0.000 0.432 283 P HA -0.109 nan 4.420 nan 0.000 0.217 283 P C 1.789 179.104 177.300 0.025 0.000 1.150 283 P CA 1.068 64.148 63.100 -0.033 0.000 0.832 283 P CB 0.083 31.745 31.700 -0.063 0.000 0.787 284 V N -0.062 119.874 119.914 0.036 0.000 2.453 284 V HA -0.188 3.930 4.120 -0.002 0.000 0.247 284 V C 2.464 178.589 176.094 0.051 0.000 1.048 284 V CA 2.485 64.821 62.300 0.061 0.000 1.049 284 V CB -2.193 29.677 31.823 0.077 0.000 0.672 284 V HN 0.261 nan 8.190 nan 0.000 0.457 285 T N -2.354 112.227 114.554 0.045 0.000 2.915 285 T HA -0.121 4.228 4.350 -0.002 0.000 0.269 285 T C 1.822 176.547 174.700 0.042 0.000 1.071 285 T CA 1.357 63.477 62.100 0.033 0.000 1.132 285 T CB -0.249 68.643 68.868 0.040 0.000 0.878 285 T HN 0.317 nan 8.240 nan 0.000 0.479 286 M N 0.429 120.090 119.600 0.102 0.000 2.193 286 M HA 0.129 4.607 4.480 -0.002 0.000 0.265 286 M C 2.819 179.213 176.300 0.156 0.000 1.071 286 M CA 1.011 56.429 55.300 0.196 0.000 1.140 286 M CB -0.227 32.572 32.600 0.331 0.000 1.369 286 M HN 0.181 nan 8.290 nan 0.000 0.423 287 R N 0.344 120.992 120.500 0.246 0.000 2.083 287 R HA -0.135 4.204 4.340 -0.002 0.000 0.237 287 R C 1.734 178.036 176.300 0.003 0.000 1.137 287 R CA 1.591 57.831 56.100 0.233 0.000 0.951 287 R CB -0.507 29.939 30.300 0.242 0.000 0.851 287 R HN 0.210 nan 8.270 nan 0.000 0.434 288 V N 1.223 121.127 119.914 -0.017 0.000 2.720 288 V HA -0.168 3.951 4.120 -0.002 0.000 0.256 288 V C 2.361 178.369 176.094 -0.144 0.000 1.082 288 V CA 1.678 63.940 62.300 -0.063 0.000 1.101 288 V CB -0.228 31.563 31.823 -0.054 0.000 0.693 288 V HN 0.560 nan 8.190 nan 0.000 0.479 289 A N -0.782 121.888 122.820 -0.250 0.000 1.975 289 A HA -0.112 4.207 4.320 -0.002 0.000 0.215 289 A C 2.301 179.525 177.584 -0.601 0.000 1.170 289 A CA 1.446 53.232 52.037 -0.418 0.000 0.656 289 A CB -0.263 18.431 19.000 -0.509 0.000 0.821 289 A HN 0.469 nan 8.150 nan 0.000 0.449 290 K N -0.248 119.738 120.400 -0.691 0.000 2.062 290 K HA -0.090 4.229 4.320 -0.002 0.000 0.205 290 K C 1.925 178.393 176.600 -0.220 0.000 1.051 290 K CA 1.302 57.297 56.287 -0.487 0.000 0.941 290 K CB -0.098 32.156 32.500 -0.410 0.000 0.719 290 K HN 0.548 nan 8.250 nan 0.000 0.440 291 E N 0.184 120.291 120.200 -0.156 0.000 2.338 291 E HA -0.157 4.192 4.350 -0.002 0.000 0.197 291 E C 1.780 178.399 176.600 0.031 0.000 1.007 291 E CA 0.606 56.978 56.400 -0.046 0.000 0.849 291 E CB 0.099 29.787 29.700 -0.020 0.000 0.774 291 E HN 0.308 nan 8.360 nan 0.000 0.506 292 M N -1.342 118.228 119.600 -0.050 0.000 2.419 292 M HA 0.027 4.506 4.480 -0.002 0.000 0.264 292 M C 1.091 177.310 176.300 -0.135 0.000 1.082 292 M CA 1.302 56.524 55.300 -0.130 0.000 1.119 292 M CB 0.611 33.098 32.600 -0.188 0.000 1.398 292 M HN 0.282 nan 8.290 nan 0.000 0.453 293 G N 0.905 109.646 108.800 -0.099 0.000 2.163 293 G HA2 -0.185 3.774 3.960 -0.002 0.000 0.213 293 G HA3 -0.185 3.774 3.960 -0.002 0.000 0.213 293 G C 0.059 174.942 174.900 -0.028 0.000 0.991 293 G CA -0.150 44.916 45.100 -0.058 0.000 0.653 293 G HN 0.455 nan 8.290 nan 0.000 0.518 294 I N 2.298 122.846 120.570 -0.038 0.000 2.638 294 I HA 0.418 4.586 4.170 -0.002 0.000 0.286 294 I C 1.360 177.601 176.117 0.208 0.000 1.088 294 I CA -0.017 61.321 61.300 0.063 0.000 1.397 294 I CB 1.300 39.343 38.000 0.071 0.000 1.414 294 I HN 0.344 nan 8.210 nan 0.000 0.566 295 S N 3.555 119.373 115.700 0.198 0.000 2.601 295 S HA 0.174 4.643 4.470 -0.002 0.000 0.271 295 S C 0.708 175.411 174.600 0.173 0.000 1.305 295 S CA -0.666 57.639 58.200 0.175 0.000 1.022 295 S CB 1.290 64.532 63.200 0.070 0.000 0.940 295 S HN 0.671 nan 8.310 nan 0.000 0.525 296 E N 1.800 121.996 120.200 -0.007 0.000 2.333 296 E HA -0.074 4.275 4.350 -0.002 0.000 0.198 296 E C 1.941 178.399 176.600 -0.238 0.000 1.007 296 E CA 0.846 57.029 56.400 -0.360 0.000 0.845 296 E CB -0.564 28.987 29.700 -0.248 0.000 0.766 296 E HN 0.934 nan 8.360 nan 0.000 0.507 297 G N 0.720 109.463 108.800 -0.094 0.000 2.471 297 G HA2 -0.154 3.805 3.960 -0.002 0.000 0.219 297 G HA3 -0.154 3.805 3.960 -0.002 0.000 0.219 297 G C 1.458 176.351 174.900 -0.012 0.000 1.125 297 G CA 0.388 45.452 45.100 -0.061 0.000 0.775 297 G HN 0.125 nan 8.290 nan 0.000 0.548 298 I N -1.252 119.335 120.570 0.028 0.000 3.341 298 I HA 0.098 4.267 4.170 -0.002 0.000 0.243 298 I C 2.364 178.569 176.117 0.146 0.000 1.094 298 I CA 0.198 61.566 61.300 0.114 0.000 1.507 298 I CB -0.383 37.684 38.000 0.113 0.000 1.441 298 I HN 0.245 nan 8.210 nan 0.000 0.465 299 Y N 1.472 121.826 120.300 0.091 0.000 2.315 299 Y HA -0.116 4.432 4.550 -0.002 0.000 0.288 299 Y C 2.390 178.356 175.900 0.110 0.000 1.154 299 Y CA 1.366 59.518 58.100 0.086 0.000 1.229 299 Y CB -0.901 37.598 38.460 0.066 0.000 0.980 299 Y HN 0.170 nan 8.280 nan 0.000 0.540 300 S N -0.089 115.372 115.700 -0.397 0.000 2.555 300 S HA -0.019 4.450 4.470 -0.002 0.000 0.230 300 S C 1.516 176.144 174.600 0.047 0.000 0.978 300 S CA 1.009 59.060 58.200 -0.248 0.000 0.934 300 S CB -0.850 62.132 63.200 -0.364 0.000 0.766 300 S HN 0.663 nan 8.310 nan 0.000 0.533 301 F N 1.508 121.433 119.950 -0.041 0.000 2.557 301 F HA 0.069 4.595 4.527 -0.002 0.000 0.278 301 F C 2.364 178.212 175.800 0.080 0.000 1.051 301 F CA 1.574 59.585 58.000 0.019 0.000 1.357 301 F CB -0.279 38.720 39.000 -0.002 0.000 1.104 301 F HN 0.113 nan 8.300 nan 0.000 0.654 302 T N -0.459 114.010 114.554 -0.143 0.000 2.951 302 T HA -0.032 4.317 4.350 -0.002 0.000 0.268 302 T C 1.977 176.679 174.700 0.003 0.000 1.073 302 T CA 1.446 63.430 62.100 -0.193 0.000 1.134 302 T CB -0.706 68.156 68.868 -0.010 0.000 0.884 302 T HN 0.372 nan 8.240 nan 0.000 0.479 303 L N 0.848 122.107 121.223 0.061 0.000 2.095 303 L HA 0.138 4.477 4.340 -0.002 0.000 0.204 303 L C -0.419 176.481 176.870 0.050 0.000 1.080 303 L CA 0.708 55.606 54.840 0.096 0.000 0.759 303 L CB -1.084 41.070 42.059 0.160 0.000 0.914 303 L HN 0.224 nan 8.230 nan 0.000 0.439 304 P HA -0.100 nan 4.420 nan 0.000 0.227 304 P C 1.704 179.000 177.300 -0.006 0.000 1.161 304 P CA 0.685 63.800 63.100 0.024 0.000 0.788 304 P CB 0.174 31.905 31.700 0.051 0.000 0.822 305 L N 0.313 121.496 121.223 -0.066 0.000 2.046 305 L HA 0.034 4.372 4.340 -0.002 0.000 0.208 305 L C 2.271 179.141 176.870 -0.001 0.000 1.077 305 L CA 2.251 57.057 54.840 -0.057 0.000 0.747 305 L CB -1.529 40.393 42.059 -0.228 0.000 0.896 305 L HN -0.033 nan 8.230 nan 0.000 0.432 306 G N -1.374 107.430 108.800 0.007 0.000 2.471 306 G HA2 -0.116 3.843 3.960 -0.002 0.000 0.219 306 G HA3 -0.116 3.843 3.960 -0.002 0.000 0.219 306 G C 1.278 176.078 174.900 -0.167 0.000 1.125 306 G CA 0.464 45.436 45.100 -0.213 0.000 0.775 306 G HN 0.566 nan 8.290 nan 0.000 0.548 307 A N -0.098 122.683 122.820 -0.064 0.000 2.327 307 A HA 0.464 4.782 4.320 -0.002 0.000 0.228 307 A C 1.673 179.236 177.584 -0.036 0.000 1.275 307 A CA 1.326 53.338 52.037 -0.042 0.000 0.875 307 A CB -0.021 18.973 19.000 -0.010 0.000 0.925 307 A HN 0.213 nan 8.150 nan 0.000 0.493 308 T N -2.155 112.369 114.554 -0.049 0.000 3.100 308 T HA 0.275 4.624 4.350 -0.002 0.000 0.255 308 T C 1.292 175.974 174.700 -0.030 0.000 0.893 308 T CA 0.321 62.407 62.100 -0.023 0.000 0.882 308 T CB -0.050 68.821 68.868 0.004 0.000 1.266 308 T HN 0.280 nan 8.240 nan 0.000 0.528 309 I N 0.501 121.029 120.570 -0.072 0.000 3.443 309 I HA 0.276 4.445 4.170 -0.002 0.000 0.277 309 I C 0.442 176.467 176.117 -0.152 0.000 1.169 309 I CA 0.008 61.272 61.300 -0.060 0.000 1.419 309 I CB 0.277 38.300 38.000 0.040 0.000 1.331 309 I HN 0.022 nan 8.210 nan 0.000 0.458 310 N N 1.999 120.462 118.700 -0.395 0.000 2.555 310 N HA 0.231 4.969 4.740 -0.002 0.000 0.244 310 N C -0.803 174.599 175.510 -0.179 0.000 1.114 310 N CA 0.155 52.958 53.050 -0.413 0.000 0.963 310 N CB 0.166 38.088 38.487 -0.943 0.000 1.276 310 N HN 0.062 nan 8.380 nan 0.000 0.510 311 M N 2.047 121.604 119.600 -0.072 0.000 2.561 311 M HA 0.264 4.743 4.480 -0.002 0.000 0.266 311 M C 0.438 176.756 176.300 0.029 0.000 1.080 311 M CA -0.471 54.822 55.300 -0.012 0.000 0.993 311 M CB 1.188 33.788 32.600 0.000 0.000 1.303 311 M HN 0.252 nan 8.290 nan 0.000 0.462 312 D N 1.091 121.526 120.400 0.058 0.000 2.097 312 D HA -0.071 4.568 4.640 -0.002 0.000 0.197 312 D C 1.933 178.279 176.300 0.076 0.000 0.984 312 D CA 1.588 55.638 54.000 0.082 0.000 0.826 312 D CB -0.086 40.804 40.800 0.150 0.000 0.973 312 D HN 0.689 nan 8.370 nan 0.000 0.460 313 G N 0.071 108.920 108.800 0.082 0.000 2.442 313 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.219 313 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.219 313 G C 1.706 176.655 174.900 0.082 0.000 1.141 313 G CA 1.527 46.665 45.100 0.063 0.000 0.763 313 G HN 0.240 nan 8.290 nan 0.000 0.554 314 T N 1.502 116.104 114.554 0.079 0.000 2.770 314 T HA 0.087 4.436 4.350 -0.002 0.000 0.263 314 T C 2.848 177.648 174.700 0.166 0.000 1.039 314 T CA 1.388 63.565 62.100 0.128 0.000 1.142 314 T CB -0.395 68.522 68.868 0.083 0.000 0.868 314 T HN 0.356 nan 8.240 nan 0.000 0.435 315 A N 1.023 123.904 122.820 0.101 0.000 1.978 315 A HA -0.008 4.310 4.320 -0.002 0.000 0.220 315 A C 2.264 179.891 177.584 0.072 0.000 1.170 315 A CA 1.256 53.340 52.037 0.078 0.000 0.636 315 A CB -0.810 18.222 19.000 0.053 0.000 0.810 315 A HN 0.487 nan 8.150 nan 0.000 0.448 316 L N -1.908 119.364 121.223 0.082 0.000 2.072 316 L HA -0.120 4.218 4.340 -0.002 0.000 0.205 316 L C 2.452 179.375 176.870 0.089 0.000 1.079 316 L CA 1.963 56.843 54.840 0.065 0.000 0.752 316 L CB -0.398 41.692 42.059 0.053 0.000 0.906 316 L HN 0.551 nan 8.230 nan 0.000 0.436 317 Y N 0.456 120.765 120.300 0.016 0.000 2.224 317 Y HA -0.285 4.264 4.550 -0.002 0.000 0.289 317 Y C 2.425 178.353 175.900 0.046 0.000 1.146 317 Y CA 1.907 60.022 58.100 0.024 0.000 1.182 317 Y CB -0.299 38.173 38.460 0.019 0.000 0.983 317 Y HN 0.309 nan 8.280 nan 0.000 0.524 318 Q N -0.277 119.462 119.800 -0.103 0.000 2.224 318 Q HA -0.058 4.281 4.340 -0.002 0.000 0.203 318 Q C 2.446 178.395 176.000 -0.086 0.000 0.970 318 Q CA 1.014 56.724 55.803 -0.157 0.000 0.865 318 Q CB -0.362 28.377 28.738 0.002 0.000 0.922 318 Q HN 0.678 nan 8.270 nan 0.000 0.445 319 G N 0.266 109.043 108.800 -0.037 0.000 2.414 319 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.215 319 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.215 319 G C 1.437 176.346 174.900 0.015 0.000 1.188 319 G CA 0.871 45.972 45.100 0.001 0.000 0.783 319 G HN 0.349 nan 8.290 nan 0.000 0.537 320 V N -0.222 119.666 119.914 -0.044 0.000 2.667 320 V HA -0.096 4.023 4.120 -0.002 0.000 0.252 320 V C 2.556 178.685 176.094 0.058 0.000 1.065 320 V CA 2.145 64.450 62.300 0.007 0.000 1.083 320 V CB -0.585 31.231 31.823 -0.010 0.000 0.692 320 V HN 0.403 nan 8.190 nan 0.000 0.468 321 C N 0.649 119.868 119.300 -0.136 0.000 2.446 321 C HA -0.094 4.365 4.460 -0.002 0.000 0.277 321 C C 2.876 177.917 174.990 0.084 0.000 1.275 321 C CA 1.902 60.834 59.018 -0.143 0.000 1.727 321 C CB -1.305 26.110 27.740 -0.542 0.000 2.010 321 C HN 0.718 nan 8.230 nan 0.000 0.486 322 T N 0.285 114.883 114.554 0.073 0.000 2.746 322 T HA -0.124 4.225 4.350 -0.002 0.000 0.267 322 T C 1.426 176.217 174.700 0.151 0.000 1.039 322 T CA 1.699 63.863 62.100 0.107 0.000 1.142 322 T CB -0.455 68.470 68.868 0.096 0.000 0.866 322 T HN 0.482 nan 8.240 nan 0.000 0.444 323 F N 0.570 120.545 119.950 0.042 0.000 2.171 323 F HA 0.054 4.579 4.527 -0.002 0.000 0.300 323 F C 1.910 177.757 175.800 0.079 0.000 1.090 323 F CA 0.572 58.602 58.000 0.051 0.000 1.293 323 F CB -0.604 38.428 39.000 0.054 0.000 1.013 323 F HN 0.136 nan 8.300 nan 0.000 0.486 324 F N 0.406 120.449 119.950 0.155 0.000 2.102 324 F HA -0.208 4.318 4.527 -0.002 0.000 0.298 324 F C 2.152 177.981 175.800 0.049 0.000 1.105 324 F CA 1.692 59.745 58.000 0.087 0.000 1.239 324 F CB -0.519 38.517 39.000 0.060 0.000 0.991 324 F HN -0.112 nan 8.300 nan 0.000 0.474 325 I N 0.215 120.909 120.570 0.207 0.000 2.252 325 I HA -0.250 3.919 4.170 -0.002 0.000 0.245 325 I C 2.594 178.674 176.117 -0.062 0.000 1.102 325 I CA 1.170 62.521 61.300 0.085 0.000 1.385 325 I CB -0.732 37.370 38.000 0.170 0.000 1.064 325 I HN 0.248 nan 8.210 nan 0.000 0.414 326 A N 0.448 123.220 122.820 -0.080 0.000 2.066 326 A HA -0.130 4.189 4.320 -0.002 0.000 0.218 326 A C 1.927 179.413 177.584 -0.165 0.000 1.157 326 A CA 1.381 53.331 52.037 -0.145 0.000 0.670 326 A CB -0.434 18.428 19.000 -0.230 0.000 0.804 326 A HN 0.383 nan 8.150 nan 0.000 0.453 327 N N 0.228 118.826 118.700 -0.170 0.000 2.333 327 N HA 0.052 4.791 4.740 -0.002 0.000 0.178 327 N C 1.807 177.196 175.510 -0.202 0.000 1.018 327 N CA 1.200 54.154 53.050 -0.160 0.000 0.882 327 N CB -0.397 38.022 38.487 -0.113 0.000 0.984 327 N HN 0.417 nan 8.380 nan 0.000 0.434 328 A N 0.547 123.188 122.820 -0.298 0.000 1.930 328 A HA -0.028 4.291 4.320 -0.002 0.000 0.217 328 A C 2.108 179.604 177.584 -0.147 0.000 1.175 328 A CA 1.008 52.878 52.037 -0.280 0.000 0.627 328 A CB -0.442 18.337 19.000 -0.370 0.000 0.815 328 A HN 0.128 nan 8.150 nan 0.000 0.443 329 L N -1.580 119.572 121.223 -0.119 0.000 2.131 329 L HA 0.220 4.558 4.340 -0.002 0.000 0.206 329 L C 1.760 178.583 176.870 -0.078 0.000 1.087 329 L CA 1.628 56.421 54.840 -0.079 0.000 0.767 329 L CB -0.339 41.681 42.059 -0.064 0.000 0.917 329 L HN 0.649 nan 8.230 nan 0.000 0.441 330 G N -1.510 107.234 108.800 -0.094 0.000 2.141 330 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.195 330 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.195 330 G C 0.377 175.227 174.900 -0.083 0.000 1.012 330 G CA 0.079 45.130 45.100 -0.082 0.000 0.696 330 G HN 0.644 nan 8.290 nan 0.000 0.508 331 S N -1.074 114.565 115.700 -0.103 0.000 2.580 331 S HA 0.698 5.167 4.470 -0.002 0.000 0.274 331 S C 1.244 175.767 174.600 -0.128 0.000 1.329 331 S CA 0.941 59.076 58.200 -0.108 0.000 1.036 331 S CB 0.271 63.401 63.200 -0.118 0.000 0.919 331 S HN 1.913 nan 8.310 nan 0.000 0.515 332 H N 0.495 119.501 119.070 -0.107 0.000 2.524 332 H HA 0.395 4.950 4.556 -0.002 0.000 0.282 332 H C 1.268 176.514 175.328 -0.137 0.000 1.016 332 H CA 0.991 56.979 56.048 -0.099 0.000 1.270 332 H CB -0.600 29.124 29.762 -0.065 0.000 1.394 332 H HN 1.014 nan 8.280 nan 0.000 0.568 333 L N -0.130 120.982 121.223 -0.184 0.000 4.232 333 L HA -0.212 4.126 4.340 -0.002 0.000 0.415 333 L C 0.368 177.163 176.870 -0.125 0.000 1.168 333 L CA 0.460 55.155 54.840 -0.241 0.000 0.966 333 L CB -2.762 38.994 42.059 -0.505 0.000 2.052 333 L HN 0.721 nan 8.230 nan 0.000 0.887 334 T N -2.343 112.162 114.554 -0.082 0.000 1.137 334 T HA -0.126 4.223 4.350 -0.002 0.000 0.704 334 T C 0.662 175.351 174.700 -0.018 0.000 0.977 334 T CA 0.547 62.621 62.100 -0.044 0.000 3.728 334 T CB -0.951 67.895 68.868 -0.037 0.000 2.113 334 T HN 1.106 nan 8.240 nan 0.000 0.377 335 V N 1.866 121.773 119.914 -0.012 0.000 2.107 335 V HA 0.442 4.561 4.120 -0.002 0.000 0.229 335 V C 1.630 177.731 176.094 0.011 0.000 1.545 335 V CA 1.469 63.772 62.300 0.005 0.000 1.546 335 V CB -1.237 30.587 31.823 0.001 0.000 1.542 335 V HN 1.783 nan 8.190 nan 0.000 0.492 336 G N 1.092 109.904 108.800 0.021 0.000 3.675 336 G HA2 0.252 4.210 3.960 -0.002 0.000 0.206 336 G HA3 0.252 4.210 3.960 -0.002 0.000 0.206 336 G C 0.652 175.565 174.900 0.020 0.000 1.086 336 G CA 0.674 45.785 45.100 0.019 0.000 0.894 336 G HN 1.757 nan 8.290 nan 0.000 0.412 337 Q N 0.447 120.254 119.800 0.013 0.000 2.579 337 Q HA 0.612 4.951 4.340 -0.002 0.000 0.344 337 Q C 1.332 177.345 176.000 0.022 0.000 0.997 337 Q CA 0.767 56.575 55.803 0.009 0.000 0.991 337 Q CB -0.271 28.464 28.738 -0.006 0.000 1.279 337 Q HN 0.667 nan 8.270 nan 0.000 0.420 338 Q N -0.538 119.295 119.800 0.055 0.000 2.444 338 Q HA 0.239 4.578 4.340 -0.002 0.000 0.206 338 Q C 2.285 178.325 176.000 0.068 0.000 0.948 338 Q CA 0.867 56.730 55.803 0.100 0.000 0.946 338 Q CB -0.015 28.847 28.738 0.207 0.000 1.027 338 Q HN 0.764 nan 8.270 nan 0.000 0.513 339 L N -0.671 120.574 121.223 0.036 0.000 2.201 339 L HA -0.083 4.256 4.340 -0.002 0.000 0.212 339 L C 2.336 179.212 176.870 0.011 0.000 1.105 339 L CA 2.337 57.186 54.840 0.015 0.000 0.775 339 L CB -1.668 40.394 42.059 0.004 0.000 0.913 339 L HN 0.296 nan 8.230 nan 0.000 0.440 340 T N -0.580 113.981 114.554 0.012 0.000 2.904 340 T HA -0.007 4.342 4.350 -0.002 0.000 0.267 340 T C 1.996 176.703 174.700 0.013 0.000 1.059 340 T CA 1.470 63.572 62.100 0.005 0.000 1.137 340 T CB -0.302 68.562 68.868 -0.006 0.000 0.879 340 T HN 0.651 nan 8.240 nan 0.000 0.467 341 I N 0.910 121.498 120.570 0.030 0.000 2.252 341 I HA -0.110 4.059 4.170 -0.002 0.000 0.245 341 I C 2.464 178.603 176.117 0.036 0.000 1.102 341 I CA 0.781 62.108 61.300 0.044 0.000 1.385 341 I CB -0.509 37.547 38.000 0.092 0.000 1.064 341 I HN 0.073 nan 8.210 nan 0.000 0.414 342 V N 0.874 120.805 119.914 0.029 0.000 2.307 342 V HA -0.261 3.857 4.120 -0.002 0.000 0.245 342 V C 2.410 178.505 176.094 0.001 0.000 1.045 342 V CA 1.663 63.969 62.300 0.010 0.000 1.024 342 V CB -0.505 31.314 31.823 -0.006 0.000 0.651 342 V HN 0.345 nan 8.190 nan 0.000 0.449 343 L N 1.056 122.279 121.223 -0.000 0.000 1.970 343 L HA -0.180 4.159 4.340 -0.002 0.000 0.212 343 L C 2.691 179.565 176.870 0.006 0.000 1.071 343 L CA 2.927 57.766 54.840 -0.002 0.000 0.751 343 L CB -1.046 41.012 42.059 -0.003 0.000 0.889 343 L HN 0.573 nan 8.230 nan 0.000 0.432 344 T N -3.168 111.393 114.554 0.012 0.000 3.113 344 T HA 0.085 4.434 4.350 -0.002 0.000 0.263 344 T C 1.697 176.410 174.700 0.022 0.000 1.143 344 T CA 0.653 62.764 62.100 0.018 0.000 1.090 344 T CB -0.561 68.319 68.868 0.020 0.000 0.922 344 T HN 0.394 nan 8.240 nan 0.000 0.521 345 A N 1.796 124.629 122.820 0.021 0.000 1.898 345 A HA 0.183 4.501 4.320 -0.002 0.000 0.214 345 A C 2.600 180.199 177.584 0.025 0.000 1.183 345 A CA 1.365 53.417 52.037 0.026 0.000 0.622 345 A CB -0.871 18.145 19.000 0.027 0.000 0.824 345 A HN 0.756 nan 8.150 nan 0.000 0.444 346 V N -2.159 117.766 119.914 0.018 0.000 2.591 346 V HA -0.001 4.117 4.120 -0.002 0.000 0.249 346 V C 2.005 178.114 176.094 0.025 0.000 1.053 346 V CA 1.562 63.874 62.300 0.020 0.000 1.068 346 V CB -0.757 31.072 31.823 0.011 0.000 0.689 346 V HN 0.399 nan 8.190 nan 0.000 0.462 347 L N 0.503 121.739 121.223 0.022 0.000 2.478 347 L HA 0.233 4.572 4.340 -0.002 0.000 0.223 347 L C 2.801 179.686 176.870 0.025 0.000 1.140 347 L CA 0.849 55.702 54.840 0.023 0.000 0.842 347 L CB -0.625 41.445 42.059 0.019 0.000 0.953 347 L HN 0.419 nan 8.230 nan 0.000 0.452 348 A N -0.559 122.277 122.820 0.027 0.000 1.930 348 A HA -0.107 4.212 4.320 -0.002 0.000 0.215 348 A C 2.505 180.107 177.584 0.029 0.000 1.176 348 A CA 1.523 53.578 52.037 0.028 0.000 0.632 348 A CB -0.292 18.727 19.000 0.032 0.000 0.819 348 A HN 0.294 nan 8.150 nan 0.000 0.445 349 S N -0.171 115.547 115.700 0.030 0.000 2.368 349 S HA -0.061 4.408 4.470 -0.002 0.000 0.224 349 S C 1.802 176.421 174.600 0.032 0.000 1.029 349 S CA 1.389 59.606 58.200 0.028 0.000 0.988 349 S CB -0.381 62.835 63.200 0.027 0.000 0.838 349 S HN 0.540 nan 8.310 nan 0.000 0.462 350 I N 0.965 121.557 120.570 0.037 0.000 2.233 350 I HA -0.055 4.114 4.170 -0.002 0.000 0.243 350 I C 2.459 178.594 176.117 0.031 0.000 1.093 350 I CA 1.064 62.388 61.300 0.040 0.000 1.380 350 I CB -0.560 37.466 38.000 0.043 0.000 1.067 350 I HN 0.350 nan 8.210 nan 0.000 0.413 351 G N -0.978 107.837 108.800 0.026 0.000 2.776 351 G HA2 -0.122 3.837 3.960 -0.002 0.000 0.209 351 G HA3 -0.122 3.837 3.960 -0.002 0.000 0.209 351 G C 1.417 176.330 174.900 0.022 0.000 1.145 351 G CA 0.897 46.010 45.100 0.022 0.000 0.791 351 G HN 0.255 nan 8.290 nan 0.000 0.530 352 T N -0.984 113.584 114.554 0.023 0.000 3.026 352 T HA 0.452 4.800 4.350 -0.002 0.000 0.245 352 T C 2.271 176.984 174.700 0.022 0.000 1.004 352 T CA 1.413 63.526 62.100 0.022 0.000 1.069 352 T CB -0.191 68.691 68.868 0.022 0.000 1.005 352 T HN 0.659 nan 8.240 nan 0.000 0.472 353 A N 0.798 123.632 122.820 0.024 0.000 5.153 353 A HA -0.303 4.016 4.320 -0.002 0.000 0.367 353 A C 2.094 179.691 177.584 0.023 0.000 1.537 353 A CA 2.791 54.843 52.037 0.026 0.000 0.694 353 A CB -1.965 17.053 19.000 0.029 0.000 1.545 353 A HN 0.742 nan 8.150 nan 0.000 0.422 354 G N -0.737 108.077 108.800 0.023 0.000 2.404 354 G HA2 0.418 4.377 3.960 -0.002 0.000 0.214 354 G HA3 0.418 4.377 3.960 -0.002 0.000 0.214 354 G C 1.429 176.339 174.900 0.016 0.000 1.189 354 G CA 1.938 47.050 45.100 0.020 0.000 0.789 354 G HN 2.296 nan 8.290 nan 0.000 0.533 355 V N 2.985 122.908 119.914 0.015 0.000 2.890 355 V HA 0.129 4.248 4.120 -0.002 0.000 0.294 355 V C -1.088 175.013 176.094 0.011 0.000 1.165 355 V CA -0.212 62.095 62.300 0.012 0.000 1.302 355 V CB -0.714 31.117 31.823 0.013 0.000 0.820 355 V HN 0.299 nan 8.190 nan 0.000 0.468 356 P HA 0.378 nan 4.420 nan 0.000 0.271 356 P C 0.726 178.033 177.300 0.011 0.000 1.218 356 P CA 1.317 64.422 63.100 0.008 0.000 0.780 356 P CB 1.150 32.853 31.700 0.005 0.000 0.901 357 G N 1.725 110.532 108.800 0.012 0.000 2.246 357 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.273 357 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.273 357 G C 0.949 175.864 174.900 0.024 0.000 1.055 357 G CA 0.227 45.338 45.100 0.018 0.000 0.851 357 G HN 0.744 nan 8.290 nan 0.000 0.500 358 A N -0.417 122.416 122.820 0.023 0.000 2.066 358 A HA 0.374 4.693 4.320 -0.002 0.000 0.218 358 A C 2.657 180.264 177.584 0.039 0.000 1.157 358 A CA 1.912 53.965 52.037 0.026 0.000 0.670 358 A CB -0.496 18.518 19.000 0.022 0.000 0.804 358 A HN 1.603 nan 8.150 nan 0.000 0.453 359 G N -0.326 108.501 108.800 0.045 0.000 2.422 359 G HA2 -0.004 3.955 3.960 -0.002 0.000 0.218 359 G HA3 -0.004 3.955 3.960 -0.002 0.000 0.218 359 G C 1.611 176.572 174.900 0.101 0.000 1.146 359 G CA 1.250 46.391 45.100 0.069 0.000 0.769 359 G HN 0.732 nan 8.290 nan 0.000 0.547 360 A N 0.815 123.688 122.820 0.089 0.000 1.975 360 A HA 0.215 4.534 4.320 -0.002 0.000 0.215 360 A C 2.337 179.948 177.584 0.044 0.000 1.170 360 A CA 1.134 53.230 52.037 0.099 0.000 0.656 360 A CB -0.265 18.797 19.000 0.104 0.000 0.821 360 A HN 0.692 nan 8.150 nan 0.000 0.449 361 I N -3.761 116.828 120.570 0.033 0.000 2.876 361 I HA -0.014 4.155 4.170 -0.002 0.000 0.264 361 I C 2.062 178.187 176.117 0.014 0.000 1.204 361 I CA 1.096 62.403 61.300 0.011 0.000 1.485 361 I CB -0.147 37.858 38.000 0.008 0.000 1.103 361 I HN 0.185 nan 8.210 nan 0.000 0.446 362 M N 0.450 120.069 119.600 0.031 0.000 2.156 362 M HA -0.072 4.406 4.480 -0.002 0.000 0.264 362 M C 2.092 178.413 176.300 0.034 0.000 1.067 362 M CA 1.502 56.823 55.300 0.036 0.000 1.131 362 M CB -0.198 32.432 32.600 0.050 0.000 1.368 362 M HN 0.373 nan 8.290 nan 0.000 0.416 363 L N 0.352 121.599 121.223 0.040 0.000 2.240 363 L HA 0.090 4.429 4.340 -0.002 0.000 0.211 363 L C 2.335 179.176 176.870 -0.049 0.000 1.106 363 L CA 1.449 56.298 54.840 0.014 0.000 0.793 363 L CB -0.746 41.352 42.059 0.065 0.000 0.927 363 L HN 0.155 nan 8.230 nan 0.000 0.446 364 A N 0.022 122.810 122.820 -0.054 0.000 1.969 364 A HA -0.153 4.166 4.320 -0.002 0.000 0.218 364 A C 2.187 179.761 177.584 -0.017 0.000 1.169 364 A CA 1.804 53.795 52.037 -0.076 0.000 0.635 364 A CB -0.521 18.435 19.000 -0.073 0.000 0.810 364 A HN 0.636 nan 8.150 nan 0.000 0.445 365 M N -2.515 117.090 119.600 0.009 0.000 2.510 365 M HA 0.250 4.729 4.480 -0.002 0.000 0.256 365 M C 1.608 177.948 176.300 0.066 0.000 1.132 365 M CA 0.878 56.211 55.300 0.055 0.000 1.105 365 M CB -0.034 32.587 32.600 0.035 0.000 1.375 365 M HN -0.010 nan 8.290 nan 0.000 0.477 366 V N 1.411 121.346 119.914 0.035 0.000 2.719 366 V HA -0.053 4.066 4.120 -0.002 0.000 0.252 366 V C 2.143 178.248 176.094 0.019 0.000 1.065 366 V CA 1.265 63.582 62.300 0.028 0.000 1.086 366 V CB -0.103 31.734 31.823 0.023 0.000 0.700 366 V HN 0.540 nan 8.190 nan 0.000 0.467 367 L N -0.744 120.485 121.223 0.011 0.000 2.179 367 L HA -0.091 4.248 4.340 -0.002 0.000 0.208 367 L C 2.420 179.303 176.870 0.022 0.000 1.096 367 L CA 1.570 56.408 54.840 -0.002 0.000 0.779 367 L CB -0.472 41.562 42.059 -0.042 0.000 0.922 367 L HN 0.467 nan 8.230 nan 0.000 0.443 368 H N -0.581 118.462 119.070 -0.043 0.000 2.462 368 H HA -0.033 4.522 4.556 -0.002 0.000 0.292 368 H C 2.295 177.607 175.328 -0.026 0.000 1.049 368 H CA 1.235 57.262 56.048 -0.035 0.000 1.334 368 H CB 0.279 30.021 29.762 -0.032 0.000 1.404 368 H HN 0.360 nan 8.280 nan 0.000 0.544 369 S N 0.544 116.222 115.700 -0.035 0.000 2.368 369 S HA -0.053 4.415 4.470 -0.002 0.000 0.224 369 S C 2.523 177.065 174.600 -0.097 0.000 1.029 369 S CA 1.672 59.831 58.200 -0.069 0.000 0.988 369 S CB -1.162 62.034 63.200 -0.007 0.000 0.838 369 S HN 0.396 nan 8.310 nan 0.000 0.462 370 V N -0.257 119.612 119.914 -0.075 0.000 2.427 370 V HA 0.378 4.496 4.120 -0.002 0.000 0.248 370 V C 1.876 177.905 176.094 -0.109 0.000 1.051 370 V CA 1.937 64.191 62.300 -0.078 0.000 1.048 370 V CB -1.087 30.698 31.823 -0.064 0.000 0.666 370 V HN 1.394 nan 8.190 nan 0.000 0.456 371 G N -0.939 107.779 108.800 -0.137 0.000 2.157 371 G HA2 0.033 3.992 3.960 -0.002 0.000 0.114 371 G HA3 0.033 3.992 3.960 -0.002 0.000 0.114 371 G C -0.256 174.588 174.900 -0.093 0.000 1.041 371 G CA -0.007 45.002 45.100 -0.150 0.000 0.714 371 G HN 0.704 nan 8.290 nan 0.000 0.492 372 L N 1.146 122.330 121.223 -0.064 0.000 2.445 372 L HA 0.384 4.722 4.340 -0.002 0.000 0.252 372 L C -2.470 174.408 176.870 0.014 0.000 1.105 372 L CA -1.998 52.827 54.840 -0.026 0.000 0.943 372 L CB 1.746 43.786 42.059 -0.030 0.000 1.277 372 L HN -0.102 nan 8.230 nan 0.000 0.465 373 P HA 0.180 nan 4.420 nan 0.000 0.280 373 P C 0.843 178.157 177.300 0.024 0.000 1.244 373 P CA -0.354 62.806 63.100 0.100 0.000 0.784 373 P CB 1.156 32.952 31.700 0.159 0.000 0.913 374 L N 1.451 122.664 121.223 -0.018 0.000 2.549 374 L HA -0.132 4.207 4.340 -0.002 0.000 0.230 374 L C 2.053 178.922 176.870 -0.001 0.000 1.162 374 L CA 1.514 56.331 54.840 -0.039 0.000 0.834 374 L CB -1.067 40.926 42.059 -0.109 0.000 0.947 374 L HN 0.492 nan 8.230 nan 0.000 0.452 375 T N -4.003 110.553 114.554 0.004 0.000 2.904 375 T HA -0.072 4.277 4.350 -0.002 0.000 0.267 375 T C 0.894 175.604 174.700 0.018 0.000 1.059 375 T CA 0.767 62.873 62.100 0.010 0.000 1.137 375 T CB -0.982 67.890 68.868 0.006 0.000 0.879 375 T HN 0.415 nan 8.240 nan 0.000 0.467 376 D N 3.156 123.568 120.400 0.021 0.000 2.371 376 D HA 0.355 4.994 4.640 -0.002 0.000 0.256 376 D C -1.425 174.891 176.300 0.027 0.000 1.193 376 D CA -1.800 52.212 54.000 0.020 0.000 0.881 376 D CB 0.107 40.917 40.800 0.016 0.000 1.143 376 D HN 0.204 nan 8.370 nan 0.000 0.473 377 P HA -0.123 nan 4.420 nan 0.000 0.221 377 P C 0.849 178.172 177.300 0.038 0.000 1.145 377 P CA 0.909 64.028 63.100 0.032 0.000 0.795 377 P CB 0.249 31.963 31.700 0.024 0.000 0.775 378 N N -0.997 117.720 118.700 0.029 0.000 2.109 378 N HA -0.087 4.652 4.740 -0.002 0.000 0.188 378 N C 1.567 177.105 175.510 0.045 0.000 1.034 378 N CA 0.749 53.816 53.050 0.028 0.000 0.846 378 N CB -0.487 38.006 38.487 0.010 0.000 1.010 378 N HN -0.137 nan 8.380 nan 0.000 0.425 379 V N 1.343 121.283 119.914 0.043 0.000 2.332 379 V HA -0.235 3.883 4.120 -0.002 0.000 0.248 379 V C 2.194 178.358 176.094 0.117 0.000 1.055 379 V CA 2.038 64.374 62.300 0.060 0.000 1.038 379 V CB -0.778 31.063 31.823 0.031 0.000 0.651 379 V HN 0.380 nan 8.190 nan 0.000 0.450 380 A N -0.597 122.289 122.820 0.110 0.000 2.067 380 A HA 0.175 4.494 4.320 -0.002 0.000 0.217 380 A C 2.328 180.022 177.584 0.183 0.000 1.156 380 A CA 1.394 53.534 52.037 0.171 0.000 0.683 380 A CB -0.446 18.627 19.000 0.121 0.000 0.808 380 A HN 0.533 nan 8.150 nan 0.000 0.455 381 A N -0.057 122.839 122.820 0.125 0.000 1.929 381 A HA 0.260 4.579 4.320 -0.002 0.000 0.216 381 A C 2.395 180.060 177.584 0.134 0.000 1.176 381 A CA 1.670 53.770 52.037 0.105 0.000 0.628 381 A CB -0.728 18.314 19.000 0.070 0.000 0.816 381 A HN 0.897 nan 8.150 nan 0.000 0.444 382 A N -1.701 121.220 122.820 0.168 0.000 1.968 382 A HA -0.009 4.310 4.320 -0.002 0.000 0.217 382 A C 2.079 179.876 177.584 0.355 0.000 1.169 382 A CA 1.427 53.614 52.037 0.250 0.000 0.638 382 A CB -0.686 18.427 19.000 0.188 0.000 0.812 382 A HN 0.686 nan 8.150 nan 0.000 0.446 383 Y N 0.781 121.180 120.300 0.165 0.000 2.293 383 Y HA 0.026 4.575 4.550 -0.002 0.000 0.291 383 Y C 2.450 178.398 175.900 0.081 0.000 1.137 383 Y CA 0.707 58.879 58.100 0.121 0.000 1.202 383 Y CB -0.443 38.071 38.460 0.090 0.000 0.990 383 Y HN 0.291 nan 8.280 nan 0.000 0.537 384 A N 0.300 123.115 122.820 -0.009 0.000 1.972 384 A HA -0.207 4.112 4.320 -0.002 0.000 0.219 384 A C 2.424 179.956 177.584 -0.088 0.000 1.169 384 A CA 1.773 53.754 52.037 -0.092 0.000 0.635 384 A CB -0.793 18.218 19.000 0.018 0.000 0.810 384 A HN 0.621 nan 8.150 nan 0.000 0.446 385 M N -0.604 118.990 119.600 -0.009 0.000 2.254 385 M HA -0.046 4.433 4.480 -0.002 0.000 0.265 385 M C 1.662 177.886 176.300 -0.127 0.000 1.066 385 M CA 1.262 56.561 55.300 -0.002 0.000 1.123 385 M CB -0.158 32.511 32.600 0.115 0.000 1.388 385 M HN 0.339 nan 8.290 nan 0.000 0.425 386 I N 0.599 121.031 120.570 -0.230 0.000 2.226 386 I HA -0.292 3.877 4.170 -0.002 0.000 0.245 386 I C 2.153 178.137 176.117 -0.223 0.000 1.100 386 I CA 1.480 62.587 61.300 -0.322 0.000 1.374 386 I CB -1.070 36.743 38.000 -0.312 0.000 1.057 386 I HN 0.398 nan 8.210 nan 0.000 0.413 387 L N 0.373 121.434 121.223 -0.270 0.000 2.265 387 L HA -0.106 4.233 4.340 -0.002 0.000 0.215 387 L C 2.492 179.298 176.870 -0.107 0.000 1.117 387 L CA 1.031 55.742 54.840 -0.215 0.000 0.782 387 L CB -0.935 40.952 42.059 -0.287 0.000 0.914 387 L HN 0.282 nan 8.230 nan 0.000 0.441 388 G N 1.016 109.781 108.800 -0.057 0.000 2.509 388 G HA2 -0.131 3.827 3.960 -0.002 0.000 0.218 388 G HA3 -0.131 3.827 3.960 -0.002 0.000 0.218 388 G C 1.221 176.171 174.900 0.084 0.000 1.124 388 G CA 0.532 45.677 45.100 0.076 0.000 0.776 388 G HN 0.606 nan 8.290 nan 0.000 0.547 389 I N -3.184 117.357 120.570 -0.048 0.000 3.658 389 I HA 0.477 4.646 4.170 -0.002 0.000 0.328 389 I C 0.756 176.818 176.117 -0.093 0.000 1.567 389 I CA -0.283 60.971 61.300 -0.077 0.000 1.078 389 I CB 0.989 38.910 38.000 -0.133 0.000 1.267 389 I HN -0.140 nan 8.210 nan 0.000 0.495 390 D N 2.168 122.511 120.400 -0.095 0.000 2.149 390 D HA -0.024 4.614 4.640 -0.002 0.000 0.201 390 D C 2.303 178.523 176.300 -0.134 0.000 0.972 390 D CA 1.552 55.478 54.000 -0.123 0.000 0.835 390 D CB 0.439 41.168 40.800 -0.118 0.000 0.966 390 D HN 0.496 nan 8.370 nan 0.000 0.476 391 A N 0.209 122.971 122.820 -0.096 0.000 2.066 391 A HA -0.027 4.292 4.320 -0.002 0.000 0.218 391 A C 2.038 179.562 177.584 -0.099 0.000 1.157 391 A CA 0.479 52.462 52.037 -0.089 0.000 0.670 391 A CB -0.425 18.547 19.000 -0.046 0.000 0.804 391 A HN 0.267 nan 8.150 nan 0.000 0.453 392 I N -0.098 120.420 120.570 -0.086 0.000 2.202 392 I HA -0.209 3.960 4.170 -0.002 0.000 0.242 392 I C 2.312 178.424 176.117 -0.008 0.000 1.091 392 I CA 1.285 62.542 61.300 -0.071 0.000 1.368 392 I CB -1.240 36.701 38.000 -0.098 0.000 1.058 392 I HN 0.296 nan 8.210 nan 0.000 0.410 393 L N 0.198 121.406 121.223 -0.025 0.000 2.217 393 L HA -0.178 4.161 4.340 -0.002 0.000 0.211 393 L C 2.244 179.050 176.870 -0.107 0.000 1.107 393 L CA 0.964 55.823 54.840 0.032 0.000 0.783 393 L CB -0.561 41.452 42.059 -0.076 0.000 0.919 393 L HN 0.189 nan 8.230 nan 0.000 0.442 394 D N 0.263 120.549 120.400 -0.191 0.000 2.117 394 D HA -0.181 4.457 4.640 -0.002 0.000 0.197 394 D C 2.325 178.475 176.300 -0.251 0.000 0.987 394 D CA 1.328 55.191 54.000 -0.228 0.000 0.829 394 D CB 0.071 40.758 40.800 -0.188 0.000 0.961 394 D HN 0.160 nan 8.370 nan 0.000 0.460 395 M N -0.329 119.061 119.600 -0.350 0.000 2.065 395 M HA -0.089 4.390 4.480 -0.002 0.000 0.259 395 M C 2.391 178.262 176.300 -0.714 0.000 1.069 395 M CA 1.897 56.739 55.300 -0.764 0.000 1.110 395 M CB -0.792 31.042 32.600 -1.277 0.000 1.328 395 M HN 0.097 nan 8.290 nan 0.000 0.405 396 G N 1.030 109.586 108.800 -0.407 0.000 2.422 396 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.218 396 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.218 396 G C 1.560 176.351 174.900 -0.181 0.000 1.146 396 G CA 1.084 46.006 45.100 -0.297 0.000 0.769 396 G HN 0.580 nan 8.290 nan 0.000 0.547 397 R N -0.435 119.966 120.500 -0.165 0.000 2.119 397 R HA 0.072 4.411 4.340 -0.002 0.000 0.222 397 R C 2.158 178.431 176.300 -0.045 0.000 1.088 397 R CA 1.652 57.699 56.100 -0.088 0.000 0.984 397 R CB -1.009 29.235 30.300 -0.094 0.000 0.884 397 R HN 0.147 nan 8.270 nan 0.000 0.447 398 T N 1.476 115.987 114.554 -0.073 0.000 2.867 398 T HA -0.079 4.270 4.350 -0.002 0.000 0.268 398 T C 1.754 176.471 174.700 0.027 0.000 1.057 398 T CA 1.347 63.428 62.100 -0.032 0.000 1.136 398 T CB -0.123 68.711 68.868 -0.057 0.000 0.874 398 T HN 0.201 nan 8.240 nan 0.000 0.466 399 M N 1.017 120.655 119.600 0.064 0.000 2.229 399 M HA -0.056 4.422 4.480 -0.002 0.000 0.264 399 M C 1.793 178.173 176.300 0.132 0.000 1.063 399 M CA 1.341 56.733 55.300 0.153 0.000 1.114 399 M CB -0.131 32.666 32.600 0.329 0.000 1.387 399 M HN 0.114 nan 8.290 nan 0.000 0.420 400 V N 0.582 120.566 119.914 0.117 0.000 3.052 400 V HA -0.133 3.986 4.120 -0.002 0.000 0.254 400 V C 1.696 177.892 176.094 0.170 0.000 1.100 400 V CA 0.958 63.367 62.300 0.181 0.000 1.112 400 V CB -0.855 31.064 31.823 0.160 0.000 0.738 400 V HN 0.455 nan 8.190 nan 0.000 0.469 401 N N 1.124 119.880 118.700 0.094 0.000 2.120 401 N HA -0.137 4.601 4.740 -0.002 0.000 0.188 401 N C 1.878 177.414 175.510 0.044 0.000 1.024 401 N CA 1.822 54.907 53.050 0.059 0.000 0.852 401 N CB -0.371 38.127 38.487 0.019 0.000 1.003 401 N HN 0.548 nan 8.380 nan 0.000 0.424 402 V N -2.411 117.531 119.914 0.048 0.000 2.788 402 V HA 0.035 4.154 4.120 -0.002 0.000 0.251 402 V C 1.909 178.021 176.094 0.030 0.000 1.068 402 V CA 1.333 63.654 62.300 0.036 0.000 1.090 402 V CB -1.009 30.839 31.823 0.041 0.000 0.710 402 V HN 0.074 nan 8.190 nan 0.000 0.467 403 T N 1.849 116.418 114.554 0.026 0.000 2.684 403 T HA -0.061 4.288 4.350 -0.002 0.000 0.267 403 T C 1.956 176.518 174.700 -0.230 0.000 1.036 403 T CA 2.048 64.116 62.100 -0.053 0.000 1.148 403 T CB -0.985 67.856 68.868 -0.045 0.000 0.863 403 T HN 0.681 nan 8.240 nan 0.000 0.436 404 G N 1.618 110.271 108.800 -0.245 0.000 2.432 404 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.219 404 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.219 404 G C 1.220 176.216 174.900 0.161 0.000 1.135 404 G CA 0.893 45.948 45.100 -0.074 0.000 0.767 404 G HN 0.397 nan 8.290 nan 0.000 0.550 405 D N 0.632 121.091 120.400 0.099 0.000 2.117 405 D HA -0.060 4.579 4.640 -0.002 0.000 0.198 405 D C 2.626 178.996 176.300 0.116 0.000 0.982 405 D CA 0.482 54.566 54.000 0.140 0.000 0.828 405 D CB -0.308 40.532 40.800 0.065 0.000 0.967 405 D HN 0.309 nan 8.370 nan 0.000 0.464 406 L N 0.600 121.880 121.223 0.096 0.000 2.093 406 L HA -0.107 4.232 4.340 -0.002 0.000 0.208 406 L C 2.430 179.427 176.870 0.212 0.000 1.085 406 L CA 1.111 56.046 54.840 0.158 0.000 0.755 406 L CB -0.687 41.463 42.059 0.151 0.000 0.904 406 L HN 0.033 nan 8.230 nan 0.000 0.435 407 T N -0.271 114.328 114.554 0.074 0.000 2.708 407 T HA -0.125 4.223 4.350 -0.002 0.000 0.266 407 T C 1.868 176.369 174.700 -0.332 0.000 1.037 407 T CA 1.384 63.355 62.100 -0.214 0.000 1.146 407 T CB -0.590 68.094 68.868 -0.306 0.000 0.865 407 T HN 0.536 nan 8.240 nan 0.000 0.435 408 G N 1.263 109.793 108.800 -0.449 0.000 2.402 408 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.216 408 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.216 408 G C 1.725 176.340 174.900 -0.475 0.000 1.162 408 G CA 1.387 45.878 45.100 -1.015 0.000 0.777 408 G HN 0.460 nan 8.290 nan 0.000 0.539 409 T N 1.781 116.228 114.554 -0.178 0.000 2.720 409 T HA -0.052 4.296 4.350 -0.002 0.000 0.268 409 T C 2.768 177.439 174.700 -0.049 0.000 1.037 409 T CA 1.623 63.692 62.100 -0.051 0.000 1.144 409 T CB -0.362 68.544 68.868 0.064 0.000 0.864 409 T HN 0.371 nan 8.240 nan 0.000 0.444 410 A N 0.542 123.335 122.820 -0.045 0.000 1.969 410 A HA 0.055 4.374 4.320 -0.002 0.000 0.218 410 A C 2.172 179.695 177.584 -0.102 0.000 1.169 410 A CA 0.930 52.951 52.037 -0.028 0.000 0.635 410 A CB -0.579 18.445 19.000 0.040 0.000 0.810 410 A HN 0.398 nan 8.150 nan 0.000 0.445 411 I N -0.678 119.749 120.570 -0.237 0.000 2.353 411 I HA -0.137 4.032 4.170 -0.002 0.000 0.248 411 I C 2.329 178.352 176.117 -0.156 0.000 1.119 411 I CA 0.912 62.025 61.300 -0.311 0.000 1.417 411 I CB -0.128 37.481 38.000 -0.651 0.000 1.078 411 I HN 0.124 nan 8.210 nan 0.000 0.421 412 V N 0.448 120.267 119.914 -0.159 0.000 2.453 412 V HA -0.224 3.895 4.120 -0.002 0.000 0.247 412 V C 2.624 178.720 176.094 0.004 0.000 1.048 412 V CA 1.590 63.853 62.300 -0.061 0.000 1.049 412 V CB -1.153 30.627 31.823 -0.072 0.000 0.672 412 V HN 0.467 nan 8.190 nan 0.000 0.457 413 A N -0.179 122.643 122.820 0.004 0.000 1.902 413 A HA -0.196 4.122 4.320 -0.002 0.000 0.217 413 A C 2.292 179.899 177.584 0.038 0.000 1.181 413 A CA 1.607 53.661 52.037 0.029 0.000 0.623 413 A CB -0.364 18.655 19.000 0.032 0.000 0.818 413 A HN 0.400 nan 8.150 nan 0.000 0.443 414 K N -0.382 120.050 120.400 0.053 0.000 2.057 414 K HA -0.061 4.258 4.320 -0.002 0.000 0.206 414 K C 2.101 178.754 176.600 0.089 0.000 1.050 414 K CA 1.799 58.132 56.287 0.078 0.000 0.935 414 K CB -1.067 31.510 32.500 0.129 0.000 0.715 414 K HN 0.576 nan 8.250 nan 0.000 0.439 415 T N 0.916 115.545 114.554 0.125 0.000 2.698 415 T HA -0.102 4.247 4.350 -0.002 0.000 0.260 415 T C 1.205 175.942 174.700 0.061 0.000 1.044 415 T CA 0.963 63.134 62.100 0.117 0.000 1.149 415 T CB -0.098 68.873 68.868 0.170 0.000 0.864 415 T HN 0.171 nan 8.240 nan 0.000 0.419 416 E N 0.000 120.229 120.200 0.049 0.000 2.725 416 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 416 E CA 0.000 56.418 56.400 0.030 0.000 0.976 416 E CB 0.000 29.715 29.700 0.025 0.000 0.812 416 E HN 0.000 nan 8.360 nan 0.000 0.440