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 1e12_1_A DATA FIRST_RESID 24 DATA SEQUENCE RENALLSSSL WVNVALAGIA ILVFVYMGRT IRPGRPRLIW GATLMIPLVS DATA SEQUENCE ISSYLGLLSG LTVGMIEMPA GHALAGEMVR SQWGRYLTWA LSTPMILLAL DATA SEQUENCE GLLADVDLGS LFTVIAADIG MCVTGLAAAM TTSALLFRWA FYAISCAFFV DATA SEQUENCE VVLSALVTDW AASASSAGTA EIFDTLRVLT VVLWLGYPIV WAVGVEGLAL DATA SEQUENCE VQSVGATSWA YSVLDVFAKY VFAFILLRWV ANNERTVAV 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 24 R HA 0.000 nan 4.340 nan 0.000 0.208 24 R C 0.000 176.324 176.300 0.041 0.000 0.893 24 R CA 0.000 56.118 56.100 0.031 0.000 0.921 24 R CB 0.000 30.316 30.300 0.026 0.000 0.687 25 E N 1.375 121.604 120.200 0.048 0.000 3.194 25 E HA 0.075 4.426 4.350 0.000 0.000 0.114 25 E C 0.381 177.026 176.600 0.074 0.000 0.882 25 E CA 0.284 56.724 56.400 0.066 0.000 1.545 25 E CB -0.709 29.037 29.700 0.076 0.000 0.986 25 E HN 0.719 nan 8.360 nan 0.000 0.357 26 N N 0.862 119.598 118.700 0.060 0.000 2.149 26 N HA -0.151 4.590 4.740 0.000 0.000 0.188 26 N C 2.119 177.681 175.510 0.086 0.000 1.019 26 N CA 2.201 55.287 53.050 0.059 0.000 0.857 26 N CB -0.186 38.331 38.487 0.050 0.000 0.997 26 N HN 0.768 nan 8.380 nan 0.000 0.426 27 A N 0.911 123.788 122.820 0.096 0.000 1.930 27 A HA -0.061 4.259 4.320 0.000 0.000 0.217 27 A C 2.270 179.962 177.584 0.181 0.000 1.175 27 A CA 0.870 52.982 52.037 0.125 0.000 0.627 27 A CB -0.662 18.398 19.000 0.100 0.000 0.815 27 A HN 0.357 nan 8.150 nan 0.000 0.443 28 L N -0.807 120.527 121.223 0.186 0.000 2.056 28 L HA -0.085 4.255 4.340 0.000 0.000 0.207 28 L C 2.230 179.293 176.870 0.323 0.000 1.078 28 L CA 1.893 56.914 54.840 0.302 0.000 0.749 28 L CB -0.474 41.723 42.059 0.230 0.000 0.901 28 L HN 0.363 nan 8.230 nan 0.000 0.433 29 L N -0.807 120.512 121.223 0.159 0.000 2.027 29 L HA -0.126 4.214 4.340 0.000 0.000 0.206 29 L C 2.722 179.586 176.870 -0.011 0.000 1.074 29 L CA 2.137 57.005 54.840 0.048 0.000 0.745 29 L CB -0.953 41.123 42.059 0.028 0.000 0.898 29 L HN 0.548 nan 8.230 nan 0.000 0.433 30 S N -1.178 114.558 115.700 0.060 0.000 2.402 30 S HA -0.172 4.298 4.470 0.000 0.000 0.229 30 S C 2.075 176.760 174.600 0.141 0.000 1.021 30 S CA 1.169 59.416 58.200 0.078 0.000 0.974 30 S CB -1.167 62.147 63.200 0.189 0.000 0.800 30 S HN 0.676 nan 8.310 nan 0.000 0.484 31 S N 2.693 118.513 115.700 0.201 0.000 2.402 31 S HA -0.122 4.348 4.470 0.000 0.000 0.229 31 S C 2.096 176.655 174.600 -0.068 0.000 1.021 31 S CA 1.197 59.556 58.200 0.265 0.000 0.974 31 S CB -1.183 62.290 63.200 0.456 0.000 0.800 31 S HN 0.830 nan 8.310 nan 0.000 0.484 32 S N 1.435 116.791 115.700 -0.573 0.000 2.442 32 S HA 0.042 4.513 4.470 0.000 0.000 0.236 32 S C 1.625 175.777 174.600 -0.746 0.000 1.007 32 S CA 0.696 57.965 58.200 -1.552 0.000 0.965 32 S CB -0.494 61.718 63.200 -1.647 0.000 0.773 32 S HN 0.331 nan 8.310 nan 0.000 0.504 33 L N -0.211 120.764 121.223 -0.414 0.000 2.130 33 L HA 0.401 4.741 4.340 0.000 0.000 0.200 33 L C 2.311 178.927 176.870 -0.423 0.000 1.075 33 L CA 0.760 55.389 54.840 -0.352 0.000 0.768 33 L CB -1.745 40.134 42.059 -0.299 0.000 0.933 33 L HN 0.352 nan 8.230 nan 0.000 0.451 34 W N -0.908 120.283 121.300 -0.183 0.000 2.363 34 W HA -0.178 4.482 4.660 0.000 0.000 0.296 34 W C 2.631 179.046 176.519 -0.173 0.000 1.212 34 W CA 1.128 58.389 57.345 -0.140 0.000 1.260 34 W CB -0.490 28.928 29.460 -0.070 0.000 1.131 34 W HN -0.043 nan 8.180 nan 0.000 0.530 35 V N 1.438 121.371 119.914 0.030 0.000 2.392 35 V HA -0.315 3.805 4.120 0.000 0.000 0.249 35 V C 1.737 177.762 176.094 -0.115 0.000 1.059 35 V CA 2.426 64.730 62.300 0.006 0.000 1.051 35 V CB -0.449 31.413 31.823 0.066 0.000 0.658 35 V HN 0.157 nan 8.190 nan 0.000 0.455 36 N N -0.453 118.036 118.700 -0.351 0.000 2.416 36 N HA -0.002 4.738 4.740 0.000 0.000 0.177 36 N C 1.571 176.883 175.510 -0.330 0.000 1.036 36 N CA 1.257 54.070 53.050 -0.394 0.000 0.901 36 N CB 0.028 38.055 38.487 -0.767 0.000 0.976 36 N HN 0.434 nan 8.380 nan 0.000 0.444 37 V N 1.203 120.950 119.914 -0.278 0.000 2.343 37 V HA -0.189 3.931 4.120 0.000 0.000 0.247 37 V C 2.348 178.401 176.094 -0.069 0.000 1.051 37 V CA 1.868 64.106 62.300 -0.103 0.000 1.036 37 V CB -0.852 30.981 31.823 0.016 0.000 0.654 37 V HN 0.271 nan 8.190 nan 0.000 0.451 38 A N -0.235 122.566 122.820 -0.032 0.000 1.877 38 A HA -0.145 4.175 4.320 0.000 0.000 0.216 38 A C 2.203 179.704 177.584 -0.139 0.000 1.186 38 A CA 1.772 53.779 52.037 -0.049 0.000 0.620 38 A CB -0.568 18.427 19.000 -0.009 0.000 0.822 38 A HN 0.485 nan 8.150 nan 0.000 0.443 39 L N -0.842 120.279 121.223 -0.170 0.000 2.083 39 L HA -0.196 4.144 4.340 0.000 0.000 0.209 39 L C 3.066 179.581 176.870 -0.593 0.000 1.083 39 L CA 1.079 55.754 54.840 -0.275 0.000 0.752 39 L CB -0.579 41.403 42.059 -0.129 0.000 0.899 39 L HN 0.462 nan 8.230 nan 0.000 0.433 40 A N 0.248 122.668 122.820 -0.667 0.000 1.930 40 A HA -0.068 4.252 4.320 0.000 0.000 0.217 40 A C 2.396 179.727 177.584 -0.421 0.000 1.175 40 A CA 1.514 53.081 52.037 -0.784 0.000 0.627 40 A CB -1.044 17.748 19.000 -0.347 0.000 0.815 40 A HN 0.430 nan 8.150 nan 0.000 0.443 41 G N 0.011 108.651 108.800 -0.267 0.000 2.408 41 G HA2 -0.149 3.811 3.960 0.000 0.000 0.217 41 G HA3 -0.149 3.811 3.960 0.000 0.000 0.217 41 G C 1.502 176.280 174.900 -0.202 0.000 1.150 41 G CA 1.085 46.081 45.100 -0.174 0.000 0.776 41 G HN 0.469 nan 8.290 nan 0.000 0.542 42 I N 1.282 121.709 120.570 -0.238 0.000 2.252 42 I HA -0.115 4.055 4.170 0.000 0.000 0.245 42 I C 3.265 179.185 176.117 -0.328 0.000 1.102 42 I CA 0.848 62.013 61.300 -0.225 0.000 1.385 42 I CB -0.148 37.734 38.000 -0.196 0.000 1.064 42 I HN 0.231 nan 8.210 nan 0.000 0.414 43 A N 1.102 123.624 122.820 -0.497 0.000 1.908 43 A HA -0.193 4.127 4.320 0.000 0.000 0.218 43 A C 2.292 179.293 177.584 -0.973 0.000 1.181 43 A CA 1.567 53.092 52.037 -0.854 0.000 0.627 43 A CB -0.858 17.612 19.000 -0.883 0.000 0.818 43 A HN 0.376 nan 8.150 nan 0.000 0.445 44 I N -0.229 120.043 120.570 -0.497 0.000 2.208 44 I HA -0.287 3.883 4.170 0.000 0.000 0.245 44 I C 2.369 178.446 176.117 -0.066 0.000 1.097 44 I CA 1.239 62.417 61.300 -0.203 0.000 1.363 44 I CB -0.339 37.608 38.000 -0.089 0.000 1.051 44 I HN 0.315 nan 8.210 nan 0.000 0.413 45 L N -0.372 120.800 121.223 -0.086 0.000 2.017 45 L HA -0.184 4.156 4.340 0.000 0.000 0.208 45 L C 2.596 179.525 176.870 0.099 0.000 1.073 45 L CA 0.967 55.817 54.840 0.016 0.000 0.745 45 L CB -0.769 41.275 42.059 -0.025 0.000 0.894 45 L HN 0.074 nan 8.230 nan 0.000 0.432 46 V N -0.314 119.610 119.914 0.017 0.000 2.343 46 V HA -0.273 3.847 4.120 0.000 0.000 0.247 46 V C 2.397 178.778 176.094 0.478 0.000 1.051 46 V CA 1.771 64.177 62.300 0.178 0.000 1.036 46 V CB -0.619 31.254 31.823 0.084 0.000 0.654 46 V HN 0.223 nan 8.190 nan 0.000 0.451 47 F N -0.290 119.837 119.950 0.295 0.000 2.186 47 F HA -0.067 4.460 4.527 0.000 0.000 0.299 47 F C 2.361 178.465 175.800 0.507 0.000 1.090 47 F CA 0.462 58.684 58.000 0.371 0.000 1.307 47 F CB -1.533 37.670 39.000 0.338 0.000 1.019 47 F HN -0.016 nan 8.300 nan 0.000 0.489 48 V N -0.478 119.798 119.914 0.604 0.000 2.295 48 V HA -0.334 3.786 4.120 0.000 0.000 0.246 48 V C 2.242 178.599 176.094 0.439 0.000 1.049 48 V CA 1.959 64.619 62.300 0.600 0.000 1.024 48 V CB -0.987 31.055 31.823 0.364 0.000 0.648 48 V HN 0.345 nan 8.190 nan 0.000 0.447 49 Y N 0.467 120.909 120.300 0.237 0.000 2.081 49 Y HA -0.320 4.230 4.550 0.000 0.000 0.280 49 Y C 2.478 178.424 175.900 0.077 0.000 1.163 49 Y CA 2.239 60.419 58.100 0.135 0.000 1.135 49 Y CB -0.322 38.210 38.460 0.119 0.000 0.970 49 Y HN 0.173 nan 8.280 nan 0.000 0.498 50 M N -0.884 118.808 119.600 0.153 0.000 2.159 50 M HA -0.115 4.365 4.480 0.000 0.000 0.263 50 M C 2.041 178.173 176.300 -0.280 0.000 1.063 50 M CA 1.791 57.071 55.300 -0.033 0.000 1.110 50 M CB -0.446 32.259 32.600 0.175 0.000 1.374 50 M HN 0.450 nan 8.290 nan 0.000 0.411 51 G N -1.066 107.476 108.800 -0.430 0.000 3.159 51 G HA2 0.027 3.987 3.960 0.000 0.000 0.232 51 G HA3 0.027 3.987 3.960 0.000 0.000 0.232 51 G C 1.322 175.280 174.900 -1.570 0.000 1.116 51 G CA -0.314 44.069 45.100 -1.195 0.000 0.767 51 G HN 0.336 nan 8.290 nan 0.000 0.547 52 R N 1.033 121.010 120.500 -0.872 0.000 2.117 52 R HA -0.146 4.194 4.340 0.000 0.000 0.243 52 R C 2.141 178.167 176.300 -0.457 0.000 1.143 52 R CA 2.134 57.897 56.100 -0.562 0.000 0.968 52 R CB -0.336 29.857 30.300 -0.179 0.000 0.863 52 R HN 0.342 nan 8.270 nan 0.000 0.444 53 T N -2.027 112.275 114.554 -0.419 0.000 3.122 53 T HA 0.280 4.630 4.350 0.000 0.000 0.250 53 T C 0.912 175.446 174.700 -0.277 0.000 1.067 53 T CA -0.371 61.559 62.100 -0.284 0.000 0.966 53 T CB -0.145 68.587 68.868 -0.226 0.000 1.002 53 T HN 0.056 nan 8.240 nan 0.000 0.542 54 I N 3.619 123.959 120.570 -0.384 0.000 2.710 54 I HA 0.119 4.289 4.170 0.000 0.000 0.286 54 I C 1.180 177.203 176.117 -0.156 0.000 1.181 54 I CA -0.666 60.469 61.300 -0.275 0.000 1.430 54 I CB 0.617 38.425 38.000 -0.321 0.000 1.367 54 I HN 0.371 nan 8.210 nan 0.000 0.577 55 R N 6.128 126.565 120.500 -0.106 0.000 2.734 55 R HA 0.277 4.617 4.340 0.000 0.000 0.266 55 R C -2.643 173.646 176.300 -0.018 0.000 1.044 55 R CA -1.340 54.725 56.100 -0.058 0.000 1.128 55 R CB -0.541 29.727 30.300 -0.054 0.000 1.010 55 R HN 0.224 nan 8.270 nan 0.000 0.461 56 P HA 0.064 nan 4.420 nan 0.000 0.269 56 P C 0.213 177.529 177.300 0.026 0.000 1.217 56 P CA 1.169 64.285 63.100 0.027 0.000 0.783 56 P CB 0.534 32.246 31.700 0.020 0.000 0.898 57 G N 1.009 109.833 108.800 0.040 0.000 2.512 57 G HA2 -0.241 3.719 3.960 0.000 0.000 0.210 57 G HA3 -0.241 3.719 3.960 0.000 0.000 0.210 57 G C 0.788 175.715 174.900 0.044 0.000 1.295 57 G CA -0.025 45.095 45.100 0.033 0.000 0.934 57 G HN 0.405 nan 8.290 nan 0.000 0.554 58 R N 1.087 121.607 120.500 0.034 0.000 2.119 58 R HA -0.053 4.288 4.340 0.000 0.000 0.246 58 R C -0.239 176.096 176.300 0.059 0.000 1.146 58 R CA 2.675 58.798 56.100 0.039 0.000 0.962 58 R CB -1.336 28.980 30.300 0.026 0.000 0.863 58 R HN 0.455 nan 8.270 nan 0.000 0.442 59 P HA -0.151 nan 4.420 nan 0.000 0.216 59 P C 0.874 178.235 177.300 0.103 0.000 1.153 59 P CA 1.233 64.366 63.100 0.055 0.000 0.848 59 P CB 0.014 31.717 31.700 0.005 0.000 0.787 60 R N -0.359 120.211 120.500 0.117 0.000 2.092 60 R HA -0.032 4.308 4.340 0.000 0.000 0.231 60 R C 2.192 178.641 176.300 0.248 0.000 1.119 60 R CA 0.964 57.200 56.100 0.227 0.000 0.970 60 R CB -0.737 29.674 30.300 0.185 0.000 0.864 60 R HN 0.163 nan 8.270 nan 0.000 0.440 61 L N 0.247 121.557 121.223 0.146 0.000 2.017 61 L HA -0.187 4.153 4.340 0.000 0.000 0.208 61 L C 2.350 179.292 176.870 0.120 0.000 1.073 61 L CA 1.286 56.191 54.840 0.107 0.000 0.745 61 L CB -0.386 41.714 42.059 0.069 0.000 0.894 61 L HN 0.228 nan 8.230 nan 0.000 0.432 62 I N -1.307 119.343 120.570 0.132 0.000 2.286 62 I HA -0.310 3.861 4.170 0.000 0.000 0.248 62 I C 2.421 178.652 176.117 0.189 0.000 1.115 62 I CA 1.314 62.695 61.300 0.135 0.000 1.392 62 I CB -0.395 37.675 38.000 0.117 0.000 1.065 62 I HN 0.440 nan 8.210 nan 0.000 0.418 63 W N 2.136 123.442 121.300 0.010 0.000 2.335 63 W HA -0.138 4.522 4.660 0.000 0.000 0.311 63 W C 2.367 178.913 176.519 0.044 0.000 1.213 63 W CA 1.617 58.966 57.345 0.007 0.000 1.274 63 W CB -1.038 28.427 29.460 0.008 0.000 1.148 63 W HN 0.075 nan 8.180 nan 0.000 0.498 64 G N 0.440 109.239 108.800 -0.002 0.000 2.476 64 G HA2 -0.278 3.682 3.960 0.000 0.000 0.218 64 G HA3 -0.278 3.682 3.960 0.000 0.000 0.218 64 G C 1.686 176.540 174.900 -0.077 0.000 1.164 64 G CA 2.097 47.079 45.100 -0.197 0.000 0.768 64 G HN 0.527 nan 8.290 nan 0.000 0.560 65 A N -0.261 122.575 122.820 0.028 0.000 1.933 65 A HA -0.028 4.292 4.320 0.000 0.000 0.218 65 A C 2.473 180.129 177.584 0.120 0.000 1.175 65 A CA 2.425 54.509 52.037 0.079 0.000 0.628 65 A CB -0.982 18.087 19.000 0.114 0.000 0.814 65 A HN 0.310 nan 8.150 nan 0.000 0.444 66 T N -0.101 114.520 114.554 0.111 0.000 2.833 66 T HA -0.038 4.313 4.350 0.000 0.000 0.269 66 T C 1.680 176.518 174.700 0.231 0.000 1.054 66 T CA 1.384 63.554 62.100 0.117 0.000 1.135 66 T CB -0.352 68.517 68.868 0.001 0.000 0.869 66 T HN 0.392 nan 8.240 nan 0.000 0.466 67 L N -0.090 121.205 121.223 0.119 0.000 2.179 67 L HA 0.115 4.455 4.340 0.000 0.000 0.208 67 L C 2.528 179.470 176.870 0.121 0.000 1.096 67 L CA 0.873 55.791 54.840 0.131 0.000 0.779 67 L CB -0.321 41.654 42.059 -0.140 0.000 0.922 67 L HN 0.287 nan 8.230 nan 0.000 0.443 68 M N -0.806 118.843 119.600 0.081 0.000 2.419 68 M HA -0.108 4.373 4.480 0.000 0.000 0.264 68 M C 2.180 178.560 176.300 0.133 0.000 1.082 68 M CA 1.368 56.716 55.300 0.079 0.000 1.119 68 M CB -0.137 32.489 32.600 0.044 0.000 1.398 68 M HN 0.221 nan 8.290 nan 0.000 0.453 69 I N 1.118 121.809 120.570 0.201 0.000 2.142 69 I HA -0.220 3.951 4.170 0.000 0.000 0.240 69 I C -0.426 175.861 176.117 0.283 0.000 1.078 69 I CA 1.598 63.043 61.300 0.241 0.000 1.343 69 I CB -1.670 36.522 38.000 0.319 0.000 1.046 69 I HN 0.156 nan 8.210 nan 0.000 0.405 70 P HA -0.110 nan 4.420 nan 0.000 0.222 70 P C 1.987 179.385 177.300 0.164 0.000 1.153 70 P CA 1.321 64.601 63.100 0.299 0.000 0.798 70 P CB 0.078 31.881 31.700 0.171 0.000 0.796 71 L N -0.553 120.742 121.223 0.120 0.000 2.056 71 L HA -0.104 4.236 4.340 0.000 0.000 0.207 71 L C 2.646 179.556 176.870 0.067 0.000 1.078 71 L CA 1.187 56.067 54.840 0.067 0.000 0.749 71 L CB -0.779 41.304 42.059 0.039 0.000 0.901 71 L HN -0.167 nan 8.230 nan 0.000 0.433 72 V N -1.244 118.718 119.914 0.079 0.000 2.407 72 V HA -0.289 3.831 4.120 0.000 0.000 0.248 72 V C 2.655 178.787 176.094 0.062 0.000 1.055 72 V CA 1.909 64.239 62.300 0.049 0.000 1.049 72 V CB -0.309 31.542 31.823 0.046 0.000 0.662 72 V HN 0.445 nan 8.190 nan 0.000 0.455 73 S N 0.500 116.289 115.700 0.149 0.000 2.356 73 S HA -0.184 4.286 4.470 0.000 0.000 0.223 73 S C 2.017 176.766 174.600 0.250 0.000 1.032 73 S CA 2.035 60.374 58.200 0.233 0.000 1.005 73 S CB -0.419 63.048 63.200 0.445 0.000 0.867 73 S HN 0.650 nan 8.310 nan 0.000 0.449 74 I N 0.268 120.950 120.570 0.187 0.000 2.208 74 I HA -0.091 4.079 4.170 0.000 0.000 0.245 74 I C 2.490 178.635 176.117 0.048 0.000 1.097 74 I CA 1.787 63.165 61.300 0.129 0.000 1.363 74 I CB -1.252 36.777 38.000 0.050 0.000 1.051 74 I HN 0.374 nan 8.210 nan 0.000 0.413 75 S N 0.939 116.639 115.700 0.001 0.000 2.370 75 S HA -0.259 4.211 4.470 0.000 0.000 0.226 75 S C 2.313 176.830 174.600 -0.137 0.000 1.033 75 S CA 2.119 60.282 58.200 -0.062 0.000 1.011 75 S CB -0.558 62.606 63.200 -0.060 0.000 0.852 75 S HN 0.650 nan 8.310 nan 0.000 0.457 76 S N -0.711 114.882 115.700 -0.178 0.000 2.356 76 S HA -0.098 4.372 4.470 0.000 0.000 0.223 76 S C 1.679 176.003 174.600 -0.459 0.000 1.032 76 S CA 1.519 59.498 58.200 -0.369 0.000 1.005 76 S CB -0.673 62.242 63.200 -0.475 0.000 0.867 76 S HN 0.737 nan 8.310 nan 0.000 0.449 77 Y N 1.492 121.666 120.300 -0.211 0.000 2.293 77 Y HA 0.114 4.665 4.550 0.000 0.000 0.291 77 Y C 2.080 177.777 175.900 -0.339 0.000 1.137 77 Y CA 0.799 58.734 58.100 -0.275 0.000 1.202 77 Y CB -0.292 38.030 38.460 -0.230 0.000 0.990 77 Y HN 0.236 nan 8.280 nan 0.000 0.537 78 L N -1.417 119.714 121.223 -0.154 0.000 2.156 78 L HA -0.091 4.249 4.340 0.000 0.000 0.208 78 L C 2.631 179.361 176.870 -0.232 0.000 1.095 78 L CA 1.112 55.832 54.840 -0.200 0.000 0.770 78 L CB -0.982 41.001 42.059 -0.126 0.000 0.914 78 L HN 0.276 nan 8.230 nan 0.000 0.439 79 G N 0.297 108.940 108.800 -0.262 0.000 2.422 79 G HA2 -0.187 3.773 3.960 0.000 0.000 0.218 79 G HA3 -0.187 3.773 3.960 0.000 0.000 0.218 79 G C 1.613 176.289 174.900 -0.373 0.000 1.146 79 G CA 0.519 45.431 45.100 -0.314 0.000 0.769 79 G HN 0.217 nan 8.290 nan 0.000 0.547 80 L N -0.305 120.676 121.223 -0.404 0.000 2.044 80 L HA 0.073 4.413 4.340 0.000 0.000 0.205 80 L C 2.869 179.547 176.870 -0.319 0.000 1.075 80 L CA 0.462 55.062 54.840 -0.400 0.000 0.747 80 L CB -0.466 41.350 42.059 -0.404 0.000 0.903 80 L HN 0.142 nan 8.230 nan 0.000 0.435 81 L N -0.144 120.878 121.223 -0.334 0.000 2.083 81 L HA -0.181 4.159 4.340 0.000 0.000 0.209 81 L C 2.835 179.576 176.870 -0.214 0.000 1.083 81 L CA 1.546 56.179 54.840 -0.345 0.000 0.752 81 L CB -0.483 41.214 42.059 -0.604 0.000 0.899 81 L HN 0.392 nan 8.230 nan 0.000 0.433 82 S N -0.956 114.626 115.700 -0.198 0.000 2.453 82 S HA 0.038 4.508 4.470 0.000 0.000 0.231 82 S C 1.662 176.191 174.600 -0.119 0.000 1.005 82 S CA 0.640 58.765 58.200 -0.126 0.000 0.949 82 S CB 0.202 63.333 63.200 -0.116 0.000 0.774 82 S HN 0.560 nan 8.310 nan 0.000 0.510 83 G N 0.653 109.353 108.800 -0.168 0.000 2.194 83 G HA2 -0.262 3.698 3.960 0.000 0.000 0.236 83 G HA3 -0.262 3.698 3.960 0.000 0.000 0.236 83 G C 0.524 175.324 174.900 -0.167 0.000 0.987 83 G CA 0.330 45.338 45.100 -0.153 0.000 0.635 83 G HN 0.589 nan 8.290 nan 0.000 0.520 84 L N 1.841 122.952 121.223 -0.188 0.000 2.042 84 L HA 0.147 4.487 4.340 0.000 0.000 0.210 84 L C 2.517 179.214 176.870 -0.289 0.000 1.076 84 L CA 3.396 58.133 54.840 -0.171 0.000 0.749 84 L CB -0.416 41.544 42.059 -0.165 0.000 0.893 84 L HN 0.720 nan 8.230 nan 0.000 0.432 85 T N -3.228 110.967 114.554 -0.599 0.000 3.269 85 T HA 0.489 4.839 4.350 0.000 0.000 0.269 85 T C -0.141 173.602 174.700 -1.596 0.000 0.993 85 T CA -0.411 60.850 62.100 -1.399 0.000 0.909 85 T CB -0.507 67.585 68.868 -1.294 0.000 1.115 85 T HN -0.038 nan 8.240 nan 0.000 0.543 86 V N 0.121 119.575 119.914 -0.768 0.000 2.789 86 V HA 0.930 5.050 4.120 0.000 0.000 0.311 86 V C 0.382 176.464 176.094 -0.020 0.000 1.073 86 V CA -0.607 61.417 62.300 -0.461 0.000 0.921 86 V CB 1.876 33.510 31.823 -0.315 0.000 1.009 86 V HN 0.670 nan 8.190 nan 0.000 0.426 87 G N 2.872 111.763 108.800 0.151 0.000 2.708 87 G HA2 0.694 4.654 3.960 0.000 0.000 0.289 87 G HA3 0.694 4.654 3.960 0.000 0.000 0.289 87 G C -1.542 173.419 174.900 0.103 0.000 1.416 87 G CA -0.833 44.375 45.100 0.181 0.000 0.829 87 G HN 0.347 nan 8.290 nan 0.000 0.480 88 M N 1.091 120.728 119.600 0.062 0.000 2.336 88 M HA 0.525 5.005 4.480 0.000 0.000 0.342 88 M C -0.061 176.253 176.300 0.023 0.000 1.128 88 M CA -0.740 54.578 55.300 0.031 0.000 1.016 88 M CB 0.870 33.479 32.600 0.015 0.000 1.665 88 M HN 0.612 nan 8.290 nan 0.000 0.445 89 I N -0.906 119.668 120.570 0.007 0.000 2.892 89 I HA 0.680 4.850 4.170 0.000 0.000 0.306 89 I C -0.694 175.403 176.117 -0.034 0.000 1.078 89 I CA -0.843 60.449 61.300 -0.013 0.000 1.032 89 I CB 2.464 40.455 38.000 -0.016 0.000 1.229 89 I HN 0.680 nan 8.210 nan 0.000 0.435 90 E N 4.540 124.718 120.200 -0.038 0.000 2.151 90 E HA 0.383 4.733 4.350 0.000 0.000 0.275 90 E C -0.897 175.659 176.600 -0.073 0.000 0.936 90 E CA -0.957 55.417 56.400 -0.044 0.000 0.777 90 E CB 1.150 30.837 29.700 -0.021 0.000 1.108 90 E HN 0.499 nan 8.360 nan 0.000 0.401 91 M N 5.561 125.089 119.600 -0.118 0.000 2.238 91 M HA 0.249 4.729 4.480 0.000 0.000 0.347 91 M C -2.074 174.188 176.300 -0.063 0.000 1.173 91 M CA -2.468 52.712 55.300 -0.200 0.000 1.147 91 M CB 0.147 32.479 32.600 -0.448 0.000 1.547 91 M HN 0.447 nan 8.290 nan 0.000 0.455 92 P HA 0.259 nan 4.420 nan 0.000 0.276 92 P C -0.914 176.443 177.300 0.095 0.000 1.261 92 P CA -0.542 62.589 63.100 0.051 0.000 0.800 92 P CB 0.376 32.120 31.700 0.074 0.000 1.066 93 A N 0.186 123.055 122.820 0.081 0.000 2.565 93 A HA 0.373 4.693 4.320 0.000 0.000 0.237 93 A C 1.478 179.123 177.584 0.102 0.000 1.053 93 A CA 1.060 53.144 52.037 0.079 0.000 0.755 93 A CB -1.674 17.361 19.000 0.059 0.000 0.980 93 A HN 0.903 nan 8.150 nan 0.000 0.506 94 G N 0.477 109.336 108.800 0.098 0.000 2.284 94 G HA2 -0.240 3.721 3.960 0.000 0.000 0.230 94 G HA3 -0.240 3.721 3.960 0.000 0.000 0.230 94 G C 0.455 175.431 174.900 0.127 0.000 1.021 94 G CA 0.440 45.597 45.100 0.095 0.000 0.619 94 G HN 1.356 nan 8.290 nan 0.000 0.510 95 H N 1.408 120.523 119.070 0.075 0.000 2.690 95 H HA 0.528 5.084 4.556 0.000 0.000 0.365 95 H C 1.812 177.174 175.328 0.057 0.000 1.142 95 H CA 0.673 56.772 56.048 0.084 0.000 1.417 95 H CB 1.318 31.118 29.762 0.064 0.000 1.446 95 H HN 0.358 nan 8.280 nan 0.000 0.599 96 A N 4.824 127.475 122.820 -0.283 0.000 2.024 96 A HA -0.101 4.219 4.320 0.000 0.000 0.220 96 A C 1.911 179.565 177.584 0.117 0.000 1.164 96 A CA 1.170 53.157 52.037 -0.083 0.000 0.643 96 A CB -0.250 18.651 19.000 -0.164 0.000 0.806 96 A HN 0.673 nan 8.150 nan 0.000 0.451 97 L N -0.281 121.205 121.223 0.437 0.000 3.062 97 L HA 0.349 4.690 4.340 0.000 0.000 0.255 97 L C 0.768 177.745 176.870 0.178 0.000 1.274 97 L CA -0.495 54.508 54.840 0.270 0.000 1.047 97 L CB -0.177 42.012 42.059 0.216 0.000 1.402 97 L HN 0.303 nan 8.230 nan 0.000 0.550 98 A N 0.348 123.280 122.820 0.186 0.000 2.584 98 A HA 0.319 4.639 4.320 0.000 0.000 0.239 98 A C 1.522 179.140 177.584 0.057 0.000 1.043 98 A CA 0.983 53.083 52.037 0.105 0.000 0.756 98 A CB -0.259 18.802 19.000 0.102 0.000 0.963 98 A HN 0.793 nan 8.150 nan 0.000 0.511 99 G N 1.596 110.414 108.800 0.031 0.000 2.153 99 G HA2 -0.192 3.768 3.960 0.000 0.000 0.252 99 G HA3 -0.192 3.768 3.960 0.000 0.000 0.252 99 G C -0.065 174.844 174.900 0.015 0.000 0.994 99 G CA 0.611 45.723 45.100 0.021 0.000 0.698 99 G HN 0.907 nan 8.290 nan 0.000 0.521 100 E N -0.378 119.828 120.200 0.010 0.000 2.244 100 E HA 0.565 4.915 4.350 0.000 0.000 0.266 100 E C 0.136 176.729 176.600 -0.011 0.000 0.914 100 E CA -1.070 55.334 56.400 0.007 0.000 0.794 100 E CB 1.024 30.736 29.700 0.021 0.000 1.210 100 E HN 0.085 nan 8.360 nan 0.000 0.414 101 M N 1.793 121.389 119.600 -0.006 0.000 2.180 101 M HA 0.337 4.817 4.480 0.000 0.000 0.358 101 M C -0.301 175.991 176.300 -0.013 0.000 1.233 101 M CA -0.698 54.594 55.300 -0.012 0.000 1.114 101 M CB 0.818 33.416 32.600 -0.003 0.000 1.594 101 M HN 0.205 nan 8.290 nan 0.000 0.467 102 V N 3.109 123.009 119.914 -0.023 0.000 2.735 102 V HA 0.482 4.602 4.120 0.000 0.000 0.310 102 V C 0.107 176.196 176.094 -0.008 0.000 1.061 102 V CA -1.071 61.216 62.300 -0.021 0.000 0.913 102 V CB 2.491 34.283 31.823 -0.052 0.000 1.005 102 V HN 0.805 nan 8.190 nan 0.000 0.428 103 R N 1.887 122.385 120.500 -0.002 0.000 2.401 103 R HA 0.380 4.720 4.340 0.000 0.000 0.299 103 R C -0.145 176.159 176.300 0.007 0.000 1.064 103 R CA 0.188 56.288 56.100 -0.001 0.000 1.000 103 R CB 0.719 31.012 30.300 -0.012 0.000 0.973 103 R HN 0.735 nan 8.270 nan 0.000 0.438 104 S N 3.430 119.151 115.700 0.035 0.000 2.566 104 S HA 0.142 4.612 4.470 0.000 0.000 0.324 104 S C -0.465 174.130 174.600 -0.008 0.000 1.081 104 S CA -0.775 57.472 58.200 0.079 0.000 1.105 104 S CB 1.129 64.439 63.200 0.184 0.000 0.981 104 S HN 0.656 nan 8.310 nan 0.000 0.464 105 Q N 5.190 124.890 119.800 -0.166 0.000 3.254 105 Q HA 0.062 4.403 4.340 0.000 0.000 0.315 105 Q C 1.006 176.591 176.000 -0.692 0.000 1.405 105 Q CA -0.311 55.221 55.803 -0.452 0.000 0.966 105 Q CB -0.119 28.333 28.738 -0.478 0.000 1.706 105 Q HN 0.911 nan 8.270 nan 0.000 0.525 106 W N -0.057 120.997 121.300 -0.408 0.000 2.468 106 W HA -0.013 4.647 4.660 0.000 0.000 0.262 106 W C 0.969 177.179 176.519 -0.515 0.000 1.241 106 W CA 0.576 57.702 57.345 -0.365 0.000 1.232 106 W CB -0.682 28.721 29.460 -0.095 0.000 1.124 106 W HN 0.369 nan 8.180 nan 0.000 0.597 107 G N 1.617 109.870 108.800 -0.911 0.000 2.432 107 G HA2 -0.245 3.716 3.960 0.000 0.000 0.219 107 G HA3 -0.245 3.716 3.960 0.000 0.000 0.219 107 G C 1.863 176.286 174.900 -0.795 0.000 1.135 107 G CA 0.734 45.333 45.100 -0.835 0.000 0.767 107 G HN 0.218 nan 8.290 nan 0.000 0.550 108 R N -0.619 119.252 120.500 -1.048 0.000 2.070 108 R HA -0.105 4.235 4.340 0.000 0.000 0.233 108 R C 2.362 177.624 176.300 -1.730 0.000 1.137 108 R CA 1.663 56.962 56.100 -1.335 0.000 0.945 108 R CB -0.566 28.844 30.300 -1.483 0.000 0.845 108 R HN 0.483 nan 8.270 nan 0.000 0.430 109 Y N 0.678 120.216 120.300 -1.270 0.000 2.224 109 Y HA -0.178 4.372 4.550 0.000 0.000 0.289 109 Y C 2.169 177.734 175.900 -0.558 0.000 1.146 109 Y CA 0.541 57.992 58.100 -1.083 0.000 1.182 109 Y CB -0.882 37.279 38.460 -0.497 0.000 0.983 109 Y HN 0.070 nan 8.280 nan 0.000 0.524 110 L N -0.223 120.842 121.223 -0.264 0.000 2.056 110 L HA -0.122 4.218 4.340 0.000 0.000 0.207 110 L C 2.033 178.797 176.870 -0.177 0.000 1.078 110 L CA 2.242 57.007 54.840 -0.125 0.000 0.749 110 L CB -1.090 40.976 42.059 0.012 0.000 0.901 110 L HN 0.147 nan 8.230 nan 0.000 0.433 111 T N -1.192 113.177 114.554 -0.308 0.000 2.951 111 T HA -0.143 4.207 4.350 0.000 0.000 0.268 111 T C 1.415 176.065 174.700 -0.084 0.000 1.073 111 T CA 1.042 63.012 62.100 -0.216 0.000 1.134 111 T CB -0.432 68.270 68.868 -0.277 0.000 0.884 111 T HN 0.435 nan 8.240 nan 0.000 0.479 112 W N 1.788 122.943 121.300 -0.241 0.000 2.341 112 W HA 0.074 4.734 4.660 0.000 0.000 0.283 112 W C 2.663 179.036 176.519 -0.243 0.000 1.215 112 W CA 0.051 57.217 57.345 -0.299 0.000 1.211 112 W CB -1.367 27.863 29.460 -0.383 0.000 1.131 112 W HN 0.299 nan 8.180 nan 0.000 0.552 113 A N -0.511 122.320 122.820 0.018 0.000 2.125 113 A HA -0.069 4.251 4.320 0.000 0.000 0.219 113 A C 1.995 179.556 177.584 -0.038 0.000 1.156 113 A CA 1.536 53.552 52.037 -0.034 0.000 0.671 113 A CB -0.424 18.543 19.000 -0.054 0.000 0.794 113 A HN 0.238 nan 8.150 nan 0.000 0.459 114 L N -0.891 120.315 121.223 -0.028 0.000 2.445 114 L HA 0.101 4.442 4.340 0.000 0.000 0.207 114 L C 2.536 179.402 176.870 -0.007 0.000 1.053 114 L CA 1.995 56.822 54.840 -0.022 0.000 0.841 114 L CB -0.331 41.713 42.059 -0.025 0.000 1.074 114 L HN 0.335 nan 8.230 nan 0.000 0.479 115 S N -1.627 114.070 115.700 -0.004 0.000 2.387 115 S HA -0.158 4.312 4.470 0.000 0.000 0.226 115 S C 1.936 176.518 174.600 -0.029 0.000 1.026 115 S CA 1.277 59.479 58.200 0.003 0.000 0.972 115 S CB -1.341 61.867 63.200 0.014 0.000 0.814 115 S HN 0.605 nan 8.310 nan 0.000 0.477 116 T N 0.154 114.645 114.554 -0.105 0.000 2.867 116 T HA 0.103 4.454 4.350 0.000 0.000 0.268 116 T C -0.813 173.939 174.700 0.087 0.000 1.057 116 T CA 0.765 62.794 62.100 -0.118 0.000 1.136 116 T CB -1.718 66.875 68.868 -0.458 0.000 0.874 116 T HN 0.339 nan 8.240 nan 0.000 0.466 117 P HA 0.108 nan 4.420 nan 0.000 0.221 117 P C 1.761 179.120 177.300 0.097 0.000 1.150 117 P CA 0.934 64.076 63.100 0.071 0.000 0.800 117 P CB -0.199 31.505 31.700 0.006 0.000 0.787 118 M N -1.774 117.875 119.600 0.082 0.000 2.175 118 M HA -0.094 4.386 4.480 0.000 0.000 0.264 118 M C 2.035 178.427 176.300 0.153 0.000 1.063 118 M CA 1.711 57.073 55.300 0.103 0.000 1.119 118 M CB -0.906 31.749 32.600 0.092 0.000 1.377 118 M HN -0.053 nan 8.290 nan 0.000 0.415 119 I N 0.619 121.276 120.570 0.145 0.000 2.252 119 I HA -0.279 3.891 4.170 0.000 0.000 0.245 119 I C 2.328 178.567 176.117 0.203 0.000 1.102 119 I CA 1.211 62.586 61.300 0.125 0.000 1.385 119 I CB -0.316 37.699 38.000 0.025 0.000 1.064 119 I HN 0.257 nan 8.210 nan 0.000 0.414 120 L N -0.146 121.218 121.223 0.235 0.000 2.093 120 L HA -0.209 4.131 4.340 0.000 0.000 0.208 120 L C 2.550 179.638 176.870 0.364 0.000 1.085 120 L CA 0.783 55.819 54.840 0.326 0.000 0.755 120 L CB -0.517 41.712 42.059 0.282 0.000 0.904 120 L HN 0.296 nan 8.230 nan 0.000 0.435 121 L N 0.422 121.784 121.223 0.231 0.000 2.017 121 L HA -0.153 4.187 4.340 0.000 0.000 0.208 121 L C 2.649 179.607 176.870 0.146 0.000 1.073 121 L CA 2.094 57.025 54.840 0.151 0.000 0.745 121 L CB -0.786 41.336 42.059 0.105 0.000 0.894 121 L HN 0.127 nan 8.230 nan 0.000 0.432 122 A N -0.443 122.500 122.820 0.205 0.000 1.908 122 A HA -0.187 4.134 4.320 0.000 0.000 0.218 122 A C 2.301 180.024 177.584 0.232 0.000 1.181 122 A CA 2.160 54.331 52.037 0.224 0.000 0.627 122 A CB -0.982 18.218 19.000 0.333 0.000 0.818 122 A HN 0.534 nan 8.150 nan 0.000 0.445 123 L N -1.006 120.418 121.223 0.335 0.000 2.156 123 L HA -0.067 4.273 4.340 0.000 0.000 0.208 123 L C 2.747 179.718 176.870 0.168 0.000 1.095 123 L CA 0.893 55.971 54.840 0.396 0.000 0.770 123 L CB -0.532 41.880 42.059 0.588 0.000 0.914 123 L HN 0.504 nan 8.230 nan 0.000 0.439 124 G N -0.290 108.469 108.800 -0.068 0.000 2.403 124 G HA2 -0.136 3.825 3.960 0.000 0.000 0.216 124 G HA3 -0.136 3.825 3.960 0.000 0.000 0.216 124 G C 1.615 176.317 174.900 -0.330 0.000 1.154 124 G CA 0.206 44.944 45.100 -0.602 0.000 0.784 124 G HN 0.189 nan 8.290 nan 0.000 0.538 125 L N -0.305 120.843 121.223 -0.124 0.000 2.056 125 L HA 0.013 4.353 4.340 0.000 0.000 0.207 125 L C 2.660 179.493 176.870 -0.061 0.000 1.078 125 L CA 0.527 55.325 54.840 -0.069 0.000 0.749 125 L CB -0.380 41.683 42.059 0.006 0.000 0.901 125 L HN 0.237 nan 8.230 nan 0.000 0.433 126 L N 0.285 121.497 121.223 -0.019 0.000 2.017 126 L HA -0.140 4.200 4.340 0.000 0.000 0.208 126 L C 2.427 179.235 176.870 -0.104 0.000 1.073 126 L CA 2.054 56.891 54.840 -0.005 0.000 0.745 126 L CB -0.530 41.569 42.059 0.066 0.000 0.894 126 L HN 0.132 nan 8.230 nan 0.000 0.432 127 A N -1.333 121.348 122.820 -0.231 0.000 2.208 127 A HA -0.002 4.318 4.320 0.000 0.000 0.209 127 A C 0.938 178.313 177.584 -0.349 0.000 1.161 127 A CA 0.784 52.560 52.037 -0.434 0.000 0.782 127 A CB -0.605 17.893 19.000 -0.836 0.000 0.816 127 A HN 0.675 nan 8.150 nan 0.000 0.477 128 D N -1.020 119.217 120.400 -0.272 0.000 2.716 128 D HA -0.136 4.505 4.640 0.000 0.000 0.239 128 D C 0.143 176.284 176.300 -0.265 0.000 1.125 128 D CA 0.838 54.712 54.000 -0.210 0.000 0.681 128 D CB -2.171 38.545 40.800 -0.140 0.000 1.070 128 D HN 0.919 nan 8.370 nan 0.000 0.432 129 V N -1.444 118.226 119.914 -0.406 0.000 3.133 129 V HA 0.431 4.551 4.120 0.000 0.000 0.305 129 V C 0.919 176.869 176.094 -0.240 0.000 1.084 129 V CA -0.013 62.031 62.300 -0.426 0.000 1.089 129 V CB 1.185 32.490 31.823 -0.862 0.000 1.073 129 V HN 0.311 nan 8.190 nan 0.000 0.477 130 D N 2.027 122.341 120.400 -0.145 0.000 2.341 130 D HA 0.058 4.698 4.640 0.000 0.000 0.245 130 D C 0.780 177.066 176.300 -0.023 0.000 1.106 130 D CA -0.499 53.464 54.000 -0.062 0.000 0.905 130 D CB 2.165 42.951 40.800 -0.023 0.000 1.202 130 D HN 0.563 nan 8.370 nan 0.000 0.426 131 L N 1.998 123.230 121.223 0.014 0.000 2.456 131 L HA -0.013 4.327 4.340 0.000 0.000 0.224 131 L C 2.315 179.281 176.870 0.160 0.000 1.148 131 L CA 1.264 56.154 54.840 0.083 0.000 0.825 131 L CB -0.285 41.835 42.059 0.102 0.000 0.937 131 L HN 0.729 nan 8.230 nan 0.000 0.450 132 G N -1.783 107.082 108.800 0.109 0.000 2.421 132 G HA2 -0.305 3.655 3.960 0.000 0.000 0.216 132 G HA3 -0.305 3.655 3.960 0.000 0.000 0.216 132 G C 1.709 176.723 174.900 0.189 0.000 1.171 132 G CA 0.814 45.985 45.100 0.119 0.000 0.775 132 G HN 0.410 nan 8.290 nan 0.000 0.543 133 S N -0.192 115.618 115.700 0.184 0.000 2.368 133 S HA -0.061 4.409 4.470 0.000 0.000 0.224 133 S C 2.333 177.192 174.600 0.432 0.000 1.029 133 S CA 1.329 59.709 58.200 0.300 0.000 0.988 133 S CB -0.270 63.118 63.200 0.313 0.000 0.838 133 S HN 0.244 nan 8.310 nan 0.000 0.462 134 L N 0.377 121.790 121.223 0.318 0.000 2.056 134 L HA 0.106 4.446 4.340 0.000 0.000 0.207 134 L C 1.952 179.008 176.870 0.310 0.000 1.078 134 L CA 1.808 56.865 54.840 0.361 0.000 0.749 134 L CB -0.793 41.334 42.059 0.112 0.000 0.901 134 L HN 0.397 nan 8.230 nan 0.000 0.433 135 F N 0.038 120.080 119.950 0.154 0.000 2.146 135 F HA -0.188 4.339 4.527 0.000 0.000 0.298 135 F C 2.338 178.210 175.800 0.121 0.000 1.096 135 F CA 2.010 60.080 58.000 0.116 0.000 1.275 135 F CB -0.680 38.367 39.000 0.078 0.000 1.008 135 F HN 0.074 nan 8.300 nan 0.000 0.480 136 T N -0.468 114.332 114.554 0.410 0.000 2.746 136 T HA -0.141 4.210 4.350 0.000 0.000 0.267 136 T C 2.217 177.039 174.700 0.205 0.000 1.039 136 T CA 1.562 63.837 62.100 0.291 0.000 1.142 136 T CB -0.637 68.362 68.868 0.218 0.000 0.866 136 T HN 0.081 nan 8.240 nan 0.000 0.444 137 V N 1.181 121.214 119.914 0.198 0.000 2.358 137 V HA -0.075 4.045 4.120 0.000 0.000 0.246 137 V C 2.355 178.495 176.094 0.076 0.000 1.047 137 V CA 1.283 63.631 62.300 0.080 0.000 1.035 137 V CB -0.558 31.236 31.823 -0.048 0.000 0.658 137 V HN 0.463 nan 8.190 nan 0.000 0.452 138 I N 0.422 121.045 120.570 0.089 0.000 2.315 138 I HA -0.209 3.961 4.170 0.000 0.000 0.248 138 I C 2.618 178.717 176.117 -0.031 0.000 1.117 138 I CA 1.299 62.604 61.300 0.007 0.000 1.404 138 I CB -0.493 37.455 38.000 -0.087 0.000 1.071 138 I HN 0.278 nan 8.210 nan 0.000 0.419 139 A N 0.745 123.571 122.820 0.009 0.000 1.877 139 A HA -0.179 4.141 4.320 0.000 0.000 0.216 139 A C 2.550 180.138 177.584 0.006 0.000 1.186 139 A CA 1.881 53.941 52.037 0.039 0.000 0.620 139 A CB -0.874 18.237 19.000 0.184 0.000 0.822 139 A HN 0.415 nan 8.150 nan 0.000 0.443 140 A N -0.138 122.732 122.820 0.083 0.000 1.902 140 A HA -0.202 4.118 4.320 0.000 0.000 0.217 140 A C 1.811 179.387 177.584 -0.015 0.000 1.181 140 A CA 2.146 54.267 52.037 0.139 0.000 0.623 140 A CB -0.788 18.351 19.000 0.231 0.000 0.818 140 A HN 0.623 nan 8.150 nan 0.000 0.443 141 D N -0.443 119.963 120.400 0.010 0.000 2.117 141 D HA -0.126 4.514 4.640 0.000 0.000 0.197 141 D C 1.679 177.908 176.300 -0.117 0.000 0.987 141 D CA 1.368 55.370 54.000 0.003 0.000 0.829 141 D CB -0.183 40.662 40.800 0.074 0.000 0.961 141 D HN 0.480 nan 8.370 nan 0.000 0.460 142 I N 0.109 120.592 120.570 -0.146 0.000 2.315 142 I HA -0.082 4.088 4.170 0.000 0.000 0.248 142 I C 2.466 178.388 176.117 -0.325 0.000 1.117 142 I CA 1.134 62.325 61.300 -0.182 0.000 1.404 142 I CB -0.390 37.526 38.000 -0.139 0.000 1.071 142 I HN 0.169 nan 8.210 nan 0.000 0.419 143 G N 0.459 108.912 108.800 -0.578 0.000 2.418 143 G HA2 -0.308 3.652 3.960 0.000 0.000 0.217 143 G HA3 -0.308 3.652 3.960 0.000 0.000 0.217 143 G C 1.738 176.060 174.900 -0.962 0.000 1.158 143 G CA 0.743 45.131 45.100 -1.186 0.000 0.771 143 G HN 0.307 nan 8.290 nan 0.000 0.545 144 M N 0.027 119.266 119.600 -0.601 0.000 2.080 144 M HA -0.124 4.356 4.480 0.000 0.000 0.260 144 M C 2.464 178.655 176.300 -0.182 0.000 1.068 144 M CA 1.694 56.885 55.300 -0.182 0.000 1.109 144 M CB -0.352 32.219 32.600 -0.049 0.000 1.342 144 M HN 0.278 nan 8.290 nan 0.000 0.405 145 C N -0.507 118.682 119.300 -0.184 0.000 2.457 145 C HA -0.052 4.408 4.460 0.000 0.000 0.278 145 C C 2.679 177.597 174.990 -0.121 0.000 1.309 145 C CA 0.573 59.529 59.018 -0.103 0.000 1.735 145 C CB -0.797 26.904 27.740 -0.065 0.000 1.992 145 C HN 0.503 nan 8.230 nan 0.000 0.493 146 V N 1.755 121.568 119.914 -0.168 0.000 2.358 146 V HA -0.188 3.932 4.120 0.000 0.000 0.246 146 V C 2.715 178.694 176.094 -0.191 0.000 1.047 146 V CA 2.614 64.815 62.300 -0.165 0.000 1.035 146 V CB -1.156 30.568 31.823 -0.164 0.000 0.658 146 V HN 0.795 nan 8.190 nan 0.000 0.452 147 T N -1.914 112.549 114.554 -0.152 0.000 2.951 147 T HA -0.034 4.316 4.350 0.000 0.000 0.268 147 T C 1.924 176.506 174.700 -0.197 0.000 1.073 147 T CA 1.244 63.286 62.100 -0.096 0.000 1.134 147 T CB -0.510 68.471 68.868 0.189 0.000 0.884 147 T HN 0.459 nan 8.240 nan 0.000 0.479 148 G N 1.468 110.139 108.800 -0.214 0.000 2.403 148 G HA2 -0.019 3.941 3.960 0.000 0.000 0.216 148 G HA3 -0.019 3.941 3.960 0.000 0.000 0.216 148 G C 1.414 176.117 174.900 -0.327 0.000 1.154 148 G CA 0.767 45.669 45.100 -0.329 0.000 0.784 148 G HN 0.465 nan 8.290 nan 0.000 0.538 149 L N 1.454 122.542 121.223 -0.224 0.000 2.046 149 L HA 0.180 4.520 4.340 0.000 0.000 0.208 149 L C 3.003 179.728 176.870 -0.242 0.000 1.077 149 L CA 2.162 56.911 54.840 -0.151 0.000 0.747 149 L CB -0.744 41.261 42.059 -0.090 0.000 0.896 149 L HN 0.212 nan 8.230 nan 0.000 0.432 150 A N -0.290 122.275 122.820 -0.425 0.000 1.908 150 A HA -0.144 4.177 4.320 0.000 0.000 0.218 150 A C 2.480 179.719 177.584 -0.575 0.000 1.181 150 A CA 1.962 53.561 52.037 -0.730 0.000 0.627 150 A CB -1.243 16.866 19.000 -1.486 0.000 0.818 150 A HN 0.615 nan 8.150 nan 0.000 0.445 151 A N -0.167 122.431 122.820 -0.369 0.000 1.883 151 A HA 0.104 4.424 4.320 0.000 0.000 0.217 151 A C 2.503 180.185 177.584 0.164 0.000 1.186 151 A CA 2.303 54.335 52.037 -0.008 0.000 0.624 151 A CB -1.015 17.887 19.000 -0.164 0.000 0.822 151 A HN 1.116 nan 8.150 nan 0.000 0.444 152 A N -1.410 121.494 122.820 0.139 0.000 1.968 152 A HA 0.006 4.326 4.320 0.000 0.000 0.217 152 A C 2.056 179.679 177.584 0.065 0.000 1.169 152 A CA 1.689 53.833 52.037 0.179 0.000 0.638 152 A CB -0.350 18.703 19.000 0.087 0.000 0.812 152 A HN 0.428 nan 8.150 nan 0.000 0.446 153 M N 0.021 119.607 119.600 -0.023 0.000 2.506 153 M HA 0.046 4.526 4.480 0.000 0.000 0.260 153 M C 0.304 176.567 176.300 -0.062 0.000 1.104 153 M CA 0.631 55.881 55.300 -0.084 0.000 1.112 153 M CB -1.216 31.270 32.600 -0.190 0.000 1.401 153 M HN 0.140 nan 8.290 nan 0.000 0.473 154 T N 1.906 116.453 114.554 -0.011 0.000 2.870 154 T HA 0.190 4.541 4.350 0.000 0.000 0.300 154 T C 1.337 176.080 174.700 0.071 0.000 0.989 154 T CA 0.432 62.574 62.100 0.070 0.000 1.139 154 T CB 0.819 69.825 68.868 0.231 0.000 0.920 154 T HN 0.485 nan 8.240 nan 0.000 0.537 155 T N -2.013 112.578 114.554 0.062 0.000 3.041 155 T HA 0.063 4.414 4.350 0.000 0.000 0.276 155 T C 2.092 176.839 174.700 0.078 0.000 0.948 155 T CA 0.263 62.390 62.100 0.045 0.000 0.885 155 T CB -0.105 68.765 68.868 0.003 0.000 1.175 155 T HN 0.498 nan 8.240 nan 0.000 0.529 156 S N 2.028 117.797 115.700 0.114 0.000 2.368 156 S HA 0.465 4.935 4.470 0.000 0.000 0.224 156 S C 0.934 175.640 174.600 0.177 0.000 1.029 156 S CA 0.301 58.581 58.200 0.134 0.000 0.988 156 S CB -0.389 62.895 63.200 0.140 0.000 0.838 156 S HN 1.105 nan 8.310 nan 0.000 0.462 157 A N 0.002 122.972 122.820 0.251 0.000 2.549 157 A HA 0.726 5.046 4.320 0.000 0.000 0.297 157 A C 0.155 177.836 177.584 0.161 0.000 1.061 157 A CA -0.595 51.552 52.037 0.184 0.000 0.690 157 A CB 0.859 19.942 19.000 0.139 0.000 1.287 157 A HN 0.288 nan 8.150 nan 0.000 0.402 158 L N 1.885 123.182 121.223 0.123 0.000 2.083 158 L HA -0.069 4.271 4.340 0.000 0.000 0.209 158 L C 2.002 178.983 176.870 0.185 0.000 1.083 158 L CA 2.440 57.389 54.840 0.182 0.000 0.752 158 L CB -0.705 41.487 42.059 0.221 0.000 0.899 158 L HN 0.879 nan 8.230 nan 0.000 0.433 159 L N -1.062 120.172 121.223 0.019 0.000 2.043 159 L HA -0.232 4.108 4.340 0.000 0.000 0.212 159 L C 2.130 178.933 176.870 -0.111 0.000 1.075 159 L CA 1.999 56.776 54.840 -0.105 0.000 0.752 159 L CB -0.795 41.016 42.059 -0.412 0.000 0.891 159 L HN 0.227 nan 8.230 nan 0.000 0.432 160 F N -0.265 119.756 119.950 0.119 0.000 2.325 160 F HA -0.017 4.511 4.527 0.000 0.000 0.299 160 F C 2.544 178.459 175.800 0.191 0.000 1.090 160 F CA 0.945 58.988 58.000 0.072 0.000 1.392 160 F CB -0.641 38.404 39.000 0.073 0.000 1.053 160 F HN 0.027 nan 8.300 nan 0.000 0.521 161 R N -1.046 119.653 120.500 0.333 0.000 2.073 161 R HA -0.197 4.143 4.340 0.000 0.000 0.234 161 R C 2.086 178.482 176.300 0.159 0.000 1.134 161 R CA 2.047 58.289 56.100 0.237 0.000 0.952 161 R CB -0.795 29.536 30.300 0.052 0.000 0.850 161 R HN 0.329 nan 8.270 nan 0.000 0.433 162 W N 0.201 121.647 121.300 0.243 0.000 2.436 162 W HA 0.014 4.674 4.660 0.000 0.000 0.284 162 W C 2.444 179.066 176.519 0.171 0.000 1.225 162 W CA 0.589 58.041 57.345 0.179 0.000 1.271 162 W CB -0.103 29.405 29.460 0.079 0.000 1.114 162 W HN 0.190 nan 8.180 nan 0.000 0.559 163 A N -0.227 122.774 122.820 0.301 0.000 1.902 163 A HA -0.184 4.137 4.320 0.000 0.000 0.217 163 A C 1.664 179.333 177.584 0.141 0.000 1.181 163 A CA 1.334 53.460 52.037 0.147 0.000 0.623 163 A CB -1.105 17.908 19.000 0.022 0.000 0.818 163 A HN 0.258 nan 8.150 nan 0.000 0.443 164 F N -1.900 118.153 119.950 0.173 0.000 2.186 164 F HA -0.069 4.458 4.527 0.000 0.000 0.299 164 F C 2.158 177.977 175.800 0.032 0.000 1.090 164 F CA 1.095 59.150 58.000 0.091 0.000 1.307 164 F CB -0.881 38.147 39.000 0.047 0.000 1.019 164 F HN 0.430 nan 8.300 nan 0.000 0.489 165 Y N 0.607 120.949 120.300 0.069 0.000 2.128 165 Y HA -0.232 4.318 4.550 0.000 0.000 0.284 165 Y C 2.391 178.323 175.900 0.054 0.000 1.154 165 Y CA 1.552 59.572 58.100 -0.133 0.000 1.149 165 Y CB -0.703 37.652 38.460 -0.176 0.000 0.976 165 Y HN -0.019 nan 8.280 nan 0.000 0.505 166 A N 0.456 123.506 122.820 0.383 0.000 1.902 166 A HA -0.174 4.146 4.320 0.000 0.000 0.217 166 A C 2.140 179.792 177.584 0.114 0.000 1.181 166 A CA 1.910 54.099 52.037 0.253 0.000 0.623 166 A CB -0.957 18.179 19.000 0.227 0.000 0.818 166 A HN 0.507 nan 8.150 nan 0.000 0.443 167 I N -0.090 120.552 120.570 0.120 0.000 2.286 167 I HA -0.159 4.011 4.170 0.000 0.000 0.248 167 I C 2.699 178.909 176.117 0.156 0.000 1.115 167 I CA 1.825 63.179 61.300 0.089 0.000 1.392 167 I CB -1.397 36.703 38.000 0.168 0.000 1.065 167 I HN 0.409 nan 8.210 nan 0.000 0.418 168 S N 0.067 115.853 115.700 0.143 0.000 2.368 168 S HA -0.186 4.284 4.470 0.000 0.000 0.225 168 S C 2.395 177.052 174.600 0.094 0.000 1.030 168 S CA 1.612 59.883 58.200 0.117 0.000 0.999 168 S CB -0.274 62.836 63.200 -0.151 0.000 0.844 168 S HN 0.508 nan 8.310 nan 0.000 0.459 169 C N 1.631 120.921 119.300 -0.017 0.000 2.413 169 C HA -0.014 4.447 4.460 0.000 0.000 0.277 169 C C 3.055 178.128 174.990 0.139 0.000 1.265 169 C CA 0.723 59.791 59.018 0.084 0.000 1.752 169 C CB -1.733 26.035 27.740 0.048 0.000 1.998 169 C HN 0.737 nan 8.230 nan 0.000 0.489 170 A N -0.292 122.560 122.820 0.053 0.000 1.902 170 A HA -0.111 4.209 4.320 0.000 0.000 0.217 170 A C 1.833 179.403 177.584 -0.024 0.000 1.181 170 A CA 1.511 53.520 52.037 -0.045 0.000 0.623 170 A CB -0.765 18.132 19.000 -0.172 0.000 0.818 170 A HN 0.494 nan 8.150 nan 0.000 0.443 171 F N -1.479 118.511 119.950 0.066 0.000 2.171 171 F HA -0.089 4.438 4.527 0.000 0.000 0.300 171 F C 2.010 177.895 175.800 0.142 0.000 1.090 171 F CA 1.169 59.214 58.000 0.075 0.000 1.293 171 F CB -0.694 38.340 39.000 0.056 0.000 1.013 171 F HN 0.337 nan 8.300 nan 0.000 0.486 172 F N 0.640 120.686 119.950 0.161 0.000 2.126 172 F HA -0.193 4.334 4.527 0.000 0.000 0.299 172 F C 2.272 178.095 175.800 0.039 0.000 1.096 172 F CA 1.065 59.117 58.000 0.086 0.000 1.255 172 F CB -0.995 38.033 39.000 0.046 0.000 0.997 172 F HN -0.210 nan 8.300 nan 0.000 0.479 173 V N -0.437 119.489 119.914 0.020 0.000 2.392 173 V HA -0.306 3.814 4.120 0.000 0.000 0.249 173 V C 2.508 178.546 176.094 -0.093 0.000 1.059 173 V CA 1.599 63.821 62.300 -0.130 0.000 1.051 173 V CB -0.906 30.869 31.823 -0.080 0.000 0.658 173 V HN 0.239 nan 8.190 nan 0.000 0.455 174 V N -0.483 119.427 119.914 -0.006 0.000 2.358 174 V HA -0.204 3.916 4.120 0.000 0.000 0.246 174 V C 2.383 178.443 176.094 -0.057 0.000 1.047 174 V CA 1.822 64.117 62.300 -0.008 0.000 1.035 174 V CB -0.324 31.540 31.823 0.068 0.000 0.658 174 V HN 0.415 nan 8.190 nan 0.000 0.452 175 V N -0.204 119.702 119.914 -0.014 0.000 2.295 175 V HA -0.249 3.871 4.120 0.000 0.000 0.246 175 V C 2.322 178.269 176.094 -0.246 0.000 1.049 175 V CA 1.951 64.188 62.300 -0.105 0.000 1.024 175 V CB -0.545 31.326 31.823 0.080 0.000 0.648 175 V HN 0.432 nan 8.190 nan 0.000 0.447 176 L N 0.178 121.243 121.223 -0.263 0.000 2.042 176 L HA -0.205 4.136 4.340 0.000 0.000 0.210 176 L C 2.750 179.468 176.870 -0.253 0.000 1.076 176 L CA 1.928 56.565 54.840 -0.340 0.000 0.749 176 L CB -0.736 41.038 42.059 -0.476 0.000 0.893 176 L HN 0.444 nan 8.230 nan 0.000 0.432 177 S N -0.196 115.382 115.700 -0.202 0.000 2.370 177 S HA -0.226 4.244 4.470 0.000 0.000 0.226 177 S C 2.108 176.614 174.600 -0.157 0.000 1.033 177 S CA 1.347 59.460 58.200 -0.145 0.000 1.011 177 S CB -0.098 63.039 63.200 -0.104 0.000 0.852 177 S HN 0.439 nan 8.310 nan 0.000 0.457 178 A N 1.415 124.084 122.820 -0.252 0.000 1.873 178 A HA 0.117 4.437 4.320 0.000 0.000 0.215 178 A C 2.208 179.567 177.584 -0.374 0.000 1.186 178 A CA 1.365 53.164 52.037 -0.396 0.000 0.616 178 A CB -0.768 17.792 19.000 -0.735 0.000 0.823 178 A HN 0.568 nan 8.150 nan 0.000 0.442 179 L N -0.545 120.458 121.223 -0.366 0.000 1.925 179 L HA -0.173 4.168 4.340 0.000 0.000 0.215 179 L C 2.394 179.280 176.870 0.027 0.000 1.082 179 L CA 1.435 56.201 54.840 -0.123 0.000 0.764 179 L CB -1.011 40.902 42.059 -0.243 0.000 0.887 179 L HN 0.206 nan 8.230 nan 0.000 0.432 180 V N -0.353 119.519 119.914 -0.070 0.000 2.592 180 V HA -0.334 3.786 4.120 0.000 0.000 0.262 180 V C 2.016 178.124 176.094 0.023 0.000 1.108 180 V CA 2.283 64.563 62.300 -0.034 0.000 1.121 180 V CB -1.415 30.359 31.823 -0.083 0.000 0.689 180 V HN 0.869 nan 8.190 nan 0.000 0.479 181 T N -4.576 110.000 114.554 0.037 0.000 3.422 181 T HA 0.036 4.386 4.350 0.000 0.000 0.179 181 T C 1.480 176.239 174.700 0.098 0.000 0.946 181 T CA 0.554 62.688 62.100 0.056 0.000 1.025 181 T CB -0.278 68.601 68.868 0.017 0.000 1.298 181 T HN 0.206 nan 8.240 nan 0.000 0.312 182 D N 0.543 121.002 120.400 0.099 0.000 2.133 182 D HA -0.137 4.503 4.640 0.000 0.000 0.192 182 D C 1.567 178.026 176.300 0.265 0.000 1.001 182 D CA 1.632 55.733 54.000 0.168 0.000 0.844 182 D CB -0.538 40.388 40.800 0.210 0.000 0.944 182 D HN 0.534 nan 8.370 nan 0.000 0.447 183 W N 1.048 122.326 121.300 -0.038 0.000 2.374 183 W HA 0.109 4.769 4.660 0.000 0.000 0.288 183 W C 2.659 178.951 176.519 -0.379 0.000 1.218 183 W CA 1.113 58.360 57.345 -0.162 0.000 1.245 183 W CB -1.207 28.232 29.460 -0.034 0.000 1.126 183 W HN 0.105 nan 8.180 nan 0.000 0.545 184 A N 0.164 123.041 122.820 0.095 0.000 1.972 184 A HA 0.003 4.323 4.320 0.000 0.000 0.219 184 A C 2.200 179.748 177.584 -0.061 0.000 1.169 184 A CA 2.351 54.410 52.037 0.038 0.000 0.635 184 A CB -1.032 18.111 19.000 0.238 0.000 0.810 184 A HN 0.133 nan 8.150 nan 0.000 0.446 185 A N -0.975 121.832 122.820 -0.023 0.000 1.902 185 A HA -0.092 4.228 4.320 0.000 0.000 0.217 185 A C 2.470 180.000 177.584 -0.090 0.000 1.181 185 A CA 2.054 54.071 52.037 -0.032 0.000 0.623 185 A CB -0.946 18.053 19.000 -0.000 0.000 0.818 185 A HN 0.475 nan 8.150 nan 0.000 0.443 186 S N -0.697 114.916 115.700 -0.146 0.000 2.368 186 S HA -0.027 4.443 4.470 0.000 0.000 0.225 186 S C 2.212 176.665 174.600 -0.246 0.000 1.030 186 S CA 1.430 59.508 58.200 -0.203 0.000 0.999 186 S CB -0.438 62.589 63.200 -0.289 0.000 0.844 186 S HN 0.777 nan 8.310 nan 0.000 0.459 187 A N 0.429 123.031 122.820 -0.364 0.000 1.877 187 A HA -0.076 4.244 4.320 0.000 0.000 0.216 187 A C 2.341 179.833 177.584 -0.153 0.000 1.186 187 A CA 2.136 53.972 52.037 -0.336 0.000 0.620 187 A CB -1.387 17.292 19.000 -0.535 0.000 0.822 187 A HN 0.568 nan 8.150 nan 0.000 0.443 188 S N -0.528 115.110 115.700 -0.104 0.000 2.400 188 S HA -0.159 4.311 4.470 0.000 0.000 0.232 188 S C 2.168 176.744 174.600 -0.039 0.000 1.025 188 S CA 2.010 60.184 58.200 -0.044 0.000 0.993 188 S CB -0.387 62.800 63.200 -0.022 0.000 0.808 188 S HN 0.667 nan 8.310 nan 0.000 0.478 189 S N -0.470 115.194 115.700 -0.059 0.000 2.527 189 S HA 0.364 4.834 4.470 0.000 0.000 0.222 189 S C 1.487 176.060 174.600 -0.045 0.000 0.985 189 S CA 0.661 58.833 58.200 -0.047 0.000 0.921 189 S CB -0.193 62.975 63.200 -0.054 0.000 0.772 189 S HN 0.617 nan 8.310 nan 0.000 0.529 190 A N -0.226 122.558 122.820 -0.060 0.000 2.303 190 A HA 0.589 4.909 4.320 0.000 0.000 0.217 190 A C 1.558 179.143 177.584 0.002 0.000 1.205 190 A CA 0.580 52.593 52.037 -0.041 0.000 0.875 190 A CB -0.609 18.347 19.000 -0.074 0.000 0.910 190 A HN 1.294 nan 8.150 nan 0.000 0.501 191 G N -0.544 108.260 108.800 0.007 0.000 2.141 191 G HA2 -0.247 3.713 3.960 0.000 0.000 0.242 191 G HA3 -0.247 3.713 3.960 0.000 0.000 0.242 191 G C 0.623 175.574 174.900 0.085 0.000 0.982 191 G CA 1.111 46.243 45.100 0.053 0.000 0.662 191 G HN 1.371 nan 8.290 nan 0.000 0.527 192 T N -3.142 111.414 114.554 0.004 0.000 3.266 192 T HA 0.698 5.048 4.350 0.000 0.000 0.278 192 T C 1.946 176.576 174.700 -0.116 0.000 1.010 192 T CA 0.974 63.011 62.100 -0.104 0.000 0.909 192 T CB 0.909 69.687 68.868 -0.149 0.000 1.122 192 T HN 1.269 nan 8.240 nan 0.000 0.536 193 A N 2.924 125.721 122.820 -0.037 0.000 1.908 193 A HA -0.142 4.179 4.320 0.000 0.000 0.218 193 A C 2.468 180.063 177.584 0.018 0.000 1.181 193 A CA 1.606 53.657 52.037 0.024 0.000 0.627 193 A CB -0.412 18.604 19.000 0.026 0.000 0.818 193 A HN 0.695 nan 8.150 nan 0.000 0.445 194 E N 0.125 120.299 120.200 -0.043 0.000 2.031 194 E HA -0.207 4.144 4.350 0.000 0.000 0.193 194 E C 1.900 178.391 176.600 -0.182 0.000 0.994 194 E CA 1.589 57.949 56.400 -0.067 0.000 0.800 194 E CB -0.864 28.827 29.700 -0.016 0.000 0.752 194 E HN 0.535 nan 8.360 nan 0.000 0.447 195 I N 0.599 120.909 120.570 -0.433 0.000 2.315 195 I HA -0.125 4.045 4.170 0.000 0.000 0.248 195 I C 2.261 178.175 176.117 -0.338 0.000 1.117 195 I CA 0.688 61.611 61.300 -0.628 0.000 1.404 195 I CB -0.495 36.560 38.000 -1.574 0.000 1.071 195 I HN 0.036 nan 8.210 nan 0.000 0.419 196 F N 1.466 121.211 119.950 -0.343 0.000 2.146 196 F HA -0.203 4.325 4.527 0.000 0.000 0.298 196 F C 2.156 177.897 175.800 -0.099 0.000 1.096 196 F CA 1.870 59.764 58.000 -0.178 0.000 1.275 196 F CB -0.487 38.437 39.000 -0.126 0.000 1.008 196 F HN 0.131 nan 8.300 nan 0.000 0.480 197 D N -0.358 119.990 120.400 -0.087 0.000 2.104 197 D HA -0.171 4.469 4.640 0.000 0.000 0.194 197 D C 2.304 178.490 176.300 -0.189 0.000 0.994 197 D CA 2.060 55.980 54.000 -0.134 0.000 0.830 197 D CB -0.848 39.933 40.800 -0.032 0.000 0.959 197 D HN 0.270 nan 8.370 nan 0.000 0.452 198 T N 1.111 115.572 114.554 -0.156 0.000 2.684 198 T HA -0.094 4.256 4.350 0.000 0.000 0.267 198 T C 2.204 176.831 174.700 -0.122 0.000 1.036 198 T CA 0.710 62.743 62.100 -0.113 0.000 1.148 198 T CB -0.310 68.501 68.868 -0.095 0.000 0.863 198 T HN 0.127 nan 8.240 nan 0.000 0.436 199 L N 0.261 121.372 121.223 -0.187 0.000 2.156 199 L HA 0.042 4.382 4.340 0.000 0.000 0.208 199 L C 2.830 179.608 176.870 -0.154 0.000 1.095 199 L CA 0.966 55.739 54.840 -0.111 0.000 0.770 199 L CB -0.432 41.543 42.059 -0.141 0.000 0.914 199 L HN 0.159 nan 8.230 nan 0.000 0.439 200 R N 0.127 120.367 120.500 -0.433 0.000 2.066 200 R HA -0.122 4.218 4.340 0.000 0.000 0.232 200 R C 2.201 178.345 176.300 -0.261 0.000 1.131 200 R CA 1.371 57.181 56.100 -0.483 0.000 0.955 200 R CB -0.137 29.726 30.300 -0.729 0.000 0.851 200 R HN 0.116 nan 8.270 nan 0.000 0.432 201 V N 1.582 121.383 119.914 -0.188 0.000 2.343 201 V HA -0.239 3.881 4.120 0.000 0.000 0.247 201 V C 2.308 178.374 176.094 -0.047 0.000 1.051 201 V CA 1.597 63.837 62.300 -0.101 0.000 1.036 201 V CB -0.513 31.268 31.823 -0.070 0.000 0.654 201 V HN 0.358 nan 8.190 nan 0.000 0.451 202 L N -0.087 121.131 121.223 -0.009 0.000 2.046 202 L HA -0.141 4.199 4.340 0.000 0.000 0.208 202 L C 2.445 179.367 176.870 0.086 0.000 1.077 202 L CA 2.475 57.362 54.840 0.078 0.000 0.747 202 L CB -0.912 41.241 42.059 0.156 0.000 0.896 202 L HN 0.333 nan 8.230 nan 0.000 0.432 203 T N -1.040 113.512 114.554 -0.004 0.000 2.674 203 T HA -0.174 4.176 4.350 0.000 0.000 0.265 203 T C 1.952 176.521 174.700 -0.219 0.000 1.039 203 T CA 1.766 63.745 62.100 -0.203 0.000 1.150 203 T CB -0.459 68.128 68.868 -0.469 0.000 0.864 203 T HN 0.197 nan 8.240 nan 0.000 0.427 204 V N 1.261 121.063 119.914 -0.187 0.000 2.287 204 V HA -0.170 3.950 4.120 0.000 0.000 0.248 204 V C 2.679 178.815 176.094 0.070 0.000 1.053 204 V CA 1.469 63.714 62.300 -0.092 0.000 1.027 204 V CB -0.738 31.009 31.823 -0.127 0.000 0.646 204 V HN 0.311 nan 8.190 nan 0.000 0.447 205 V N -0.465 119.484 119.914 0.058 0.000 2.295 205 V HA -0.259 3.861 4.120 0.000 0.000 0.246 205 V C 2.268 178.468 176.094 0.177 0.000 1.049 205 V CA 2.100 64.459 62.300 0.097 0.000 1.024 205 V CB -0.501 31.355 31.823 0.054 0.000 0.648 205 V HN 0.431 nan 8.190 nan 0.000 0.447 206 L N -2.055 119.306 121.223 0.231 0.000 2.109 206 L HA -0.135 4.205 4.340 0.000 0.000 0.207 206 L C 2.400 179.560 176.870 0.483 0.000 1.086 206 L CA 1.498 56.520 54.840 0.303 0.000 0.760 206 L CB -0.480 41.792 42.059 0.355 0.000 0.910 206 L HN 0.378 nan 8.230 nan 0.000 0.437 207 W N 0.124 121.557 121.300 0.220 0.000 2.363 207 W HA -0.139 4.521 4.660 0.000 0.000 0.296 207 W C 2.315 179.023 176.519 0.315 0.000 1.212 207 W CA 0.821 58.316 57.345 0.251 0.000 1.260 207 W CB -0.679 28.895 29.460 0.191 0.000 1.131 207 W HN 0.037 nan 8.180 nan 0.000 0.530 208 L N -0.374 121.203 121.223 0.590 0.000 2.187 208 L HA -0.120 4.220 4.340 0.000 0.000 0.213 208 L C 2.536 179.585 176.870 0.300 0.000 1.100 208 L CA 1.340 56.465 54.840 0.473 0.000 0.765 208 L CB -1.235 41.008 42.059 0.307 0.000 0.904 208 L HN 0.096 nan 8.230 nan 0.000 0.437 209 G N -1.314 107.618 108.800 0.220 0.000 2.471 209 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 209 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 209 G C 1.201 176.127 174.900 0.043 0.000 1.125 209 G CA 0.316 45.464 45.100 0.079 0.000 0.775 209 G HN 0.283 nan 8.290 nan 0.000 0.548 210 Y N 1.554 121.900 120.300 0.078 0.000 2.163 210 Y HA -0.029 4.522 4.550 0.000 0.000 0.288 210 Y C 0.485 176.537 175.900 0.253 0.000 1.136 210 Y CA 1.578 59.763 58.100 0.142 0.000 1.147 210 Y CB -0.969 37.342 38.460 -0.249 0.000 0.987 210 Y HN 0.227 nan 8.280 nan 0.000 0.509 211 P HA -0.104 nan 4.420 nan 0.000 0.223 211 P C 1.299 178.890 177.300 0.486 0.000 1.151 211 P CA 1.491 64.790 63.100 0.331 0.000 0.787 211 P CB -0.025 31.756 31.700 0.134 0.000 0.788 212 I N -0.579 120.196 120.570 0.343 0.000 2.233 212 I HA -0.163 4.008 4.170 0.000 0.000 0.243 212 I C 2.541 178.810 176.117 0.253 0.000 1.093 212 I CA 1.034 62.503 61.300 0.282 0.000 1.380 212 I CB -0.785 37.323 38.000 0.179 0.000 1.067 212 I HN -0.211 nan 8.210 nan 0.000 0.413 213 V N 0.032 120.052 119.914 0.177 0.000 2.332 213 V HA -0.320 3.800 4.120 0.000 0.000 0.248 213 V C 2.162 178.384 176.094 0.213 0.000 1.055 213 V CA 2.146 64.471 62.300 0.042 0.000 1.038 213 V CB -0.718 30.913 31.823 -0.320 0.000 0.651 213 V HN 0.587 nan 8.190 nan 0.000 0.450 214 W N 0.606 122.075 121.300 0.281 0.000 2.335 214 W HA -0.228 4.432 4.660 0.001 0.000 0.311 214 W C 2.480 179.155 176.519 0.259 0.000 1.213 214 W CA 2.257 59.819 57.345 0.361 0.000 1.274 214 W CB -0.252 29.477 29.460 0.449 0.000 1.148 214 W HN 0.194 nan 8.180 nan 0.000 0.498 215 A N -0.816 122.431 122.820 0.712 0.000 1.969 215 A HA -0.127 4.194 4.320 0.000 0.000 0.218 215 A C 1.860 179.629 177.584 0.308 0.000 1.169 215 A CA 1.954 54.326 52.037 0.560 0.000 0.635 215 A CB -0.960 18.343 19.000 0.504 0.000 0.810 215 A HN 0.180 nan 8.150 nan 0.000 0.445 216 V N -0.354 119.687 119.914 0.212 0.000 2.649 216 V HA 0.063 4.183 4.120 0.000 0.000 0.248 216 V C 1.880 178.010 176.094 0.061 0.000 1.054 216 V CA 0.845 63.214 62.300 0.114 0.000 1.073 216 V CB -1.153 30.720 31.823 0.083 0.000 0.699 216 V HN 0.557 nan 8.190 nan 0.000 0.463 217 G N 0.109 108.931 108.800 0.036 0.000 2.553 217 G HA2 0.277 4.238 3.960 0.000 0.000 0.278 217 G HA3 0.277 4.238 3.960 0.000 0.000 0.278 217 G C 1.272 176.148 174.900 -0.040 0.000 1.349 217 G CA 0.407 45.501 45.100 -0.010 0.000 1.037 217 G HN 0.265 nan 8.290 nan 0.000 0.508 218 V N -1.894 118.000 119.914 -0.032 0.000 2.370 218 V HA -0.190 3.930 4.120 0.000 0.000 0.252 218 V C 2.252 178.305 176.094 -0.067 0.000 1.068 218 V CA 2.469 64.765 62.300 -0.008 0.000 1.061 218 V CB -0.700 31.118 31.823 -0.008 0.000 0.656 218 V HN 0.581 nan 8.190 nan 0.000 0.455 219 E N 1.296 121.291 120.200 -0.341 0.000 2.106 219 E HA 0.001 4.352 4.350 0.000 0.000 0.192 219 E C 1.878 177.996 176.600 -0.803 0.000 0.984 219 E CA 1.485 57.434 56.400 -0.751 0.000 0.806 219 E CB -0.337 28.405 29.700 -1.595 0.000 0.750 219 E HN 0.734 nan 8.360 nan 0.000 0.458 220 G N 0.530 108.985 108.800 -0.575 0.000 3.226 220 G HA2 0.122 4.082 3.960 0.000 0.000 0.190 220 G HA3 0.122 4.082 3.960 0.000 0.000 0.190 220 G C 1.277 176.295 174.900 0.197 0.000 1.988 220 G CA -0.347 44.658 45.100 -0.159 0.000 0.859 220 G HN 0.065 nan 8.290 nan 0.000 0.631 221 L N 0.822 122.200 121.223 0.258 0.000 2.395 221 L HA 0.237 4.577 4.340 0.000 0.000 0.218 221 L C 2.113 178.957 176.870 -0.044 0.000 1.130 221 L CA 0.738 55.637 54.840 0.099 0.000 0.826 221 L CB -0.224 41.890 42.059 0.091 0.000 0.941 221 L HN 0.607 nan 8.230 nan 0.000 0.451 222 A N -0.346 122.466 122.820 -0.013 0.000 2.872 222 A HA -0.223 4.097 4.320 0.000 0.000 0.273 222 A C 1.310 178.894 177.584 0.000 0.000 1.442 222 A CA 0.790 52.825 52.037 -0.004 0.000 0.801 222 A CB -2.104 16.890 19.000 -0.010 0.000 1.031 222 A HN 0.403 nan 8.150 nan 0.000 0.582 223 L N -1.685 119.544 121.223 0.010 0.000 2.131 223 L HA -0.055 4.285 4.340 0.000 0.000 0.210 223 L C 0.870 177.748 176.870 0.013 0.000 1.092 223 L CA 1.310 56.156 54.840 0.009 0.000 0.759 223 L CB -0.148 41.920 42.059 0.017 0.000 0.903 223 L HN 0.406 nan 8.230 nan 0.000 0.435 224 V N 0.055 119.979 119.914 0.017 0.000 2.357 224 V HA 0.137 4.258 4.120 0.000 0.000 0.284 224 V C 0.368 176.475 176.094 0.021 0.000 1.018 224 V CA -0.310 62.000 62.300 0.018 0.000 0.841 224 V CB 1.576 33.409 31.823 0.016 0.000 0.991 224 V HN 0.233 nan 8.190 nan 0.000 0.437 225 Q N 1.905 121.720 119.800 0.025 0.000 2.247 225 Q HA 0.178 4.518 4.340 0.000 0.000 0.204 225 Q C 0.754 176.774 176.000 0.034 0.000 0.872 225 Q CA -0.011 55.811 55.803 0.031 0.000 0.951 225 Q CB 1.036 29.794 28.738 0.033 0.000 1.099 225 Q HN 0.632 nan 8.270 nan 0.000 0.501 226 S N 0.193 115.915 115.700 0.036 0.000 2.452 226 S HA 0.137 4.608 4.470 0.000 0.000 0.284 226 S C 0.786 175.418 174.600 0.052 0.000 1.171 226 S CA -0.480 57.748 58.200 0.046 0.000 1.064 226 S CB 1.572 64.805 63.200 0.055 0.000 0.967 226 S HN 0.220 nan 8.310 nan 0.000 0.484 227 V N 5.937 125.881 119.914 0.050 0.000 2.667 227 V HA 0.131 4.251 4.120 0.000 0.000 0.252 227 V C 1.954 178.091 176.094 0.072 0.000 1.065 227 V CA 2.452 64.782 62.300 0.050 0.000 1.083 227 V CB -0.972 30.869 31.823 0.030 0.000 0.692 227 V HN 0.974 nan 8.190 nan 0.000 0.468 228 G N -0.606 108.250 108.800 0.092 0.000 2.408 228 G HA2 -0.138 3.822 3.960 0.000 0.000 0.217 228 G HA3 -0.138 3.822 3.960 0.000 0.000 0.217 228 G C 1.717 176.763 174.900 0.242 0.000 1.150 228 G CA 0.937 46.126 45.100 0.147 0.000 0.776 228 G HN 0.722 nan 8.290 nan 0.000 0.542 229 A N 0.039 122.971 122.820 0.187 0.000 1.873 229 A HA -0.017 4.303 4.320 0.000 0.000 0.215 229 A C 2.479 180.157 177.584 0.157 0.000 1.186 229 A CA 2.409 54.561 52.037 0.191 0.000 0.616 229 A CB -1.126 17.933 19.000 0.098 0.000 0.823 229 A HN 0.324 nan 8.150 nan 0.000 0.442 230 T N -1.144 113.457 114.554 0.078 0.000 2.788 230 T HA -0.142 4.209 4.350 0.000 0.000 0.268 230 T C 2.197 176.910 174.700 0.022 0.000 1.044 230 T CA 2.141 64.233 62.100 -0.014 0.000 1.139 230 T CB -0.370 68.495 68.868 -0.005 0.000 0.867 230 T HN 0.470 nan 8.240 nan 0.000 0.454 231 S N -1.016 114.758 115.700 0.124 0.000 2.368 231 S HA -0.088 4.383 4.470 0.000 0.000 0.225 231 S C 1.680 176.331 174.600 0.086 0.000 1.030 231 S CA 1.457 59.741 58.200 0.139 0.000 0.999 231 S CB -0.564 62.643 63.200 0.012 0.000 0.844 231 S HN 0.776 nan 8.310 nan 0.000 0.459 232 W N 1.517 122.872 121.300 0.092 0.000 2.388 232 W HA 0.028 4.688 4.660 0.000 0.000 0.294 232 W C 2.684 179.241 176.519 0.063 0.000 1.212 232 W CA 0.849 58.243 57.345 0.081 0.000 1.271 232 W CB -0.496 28.995 29.460 0.051 0.000 1.126 232 W HN 0.390 nan 8.180 nan 0.000 0.535 233 A N -0.755 122.185 122.820 0.200 0.000 1.877 233 A HA -0.241 4.079 4.320 0.000 0.000 0.216 233 A C 1.636 179.234 177.584 0.023 0.000 1.186 233 A CA 1.651 53.712 52.037 0.041 0.000 0.620 233 A CB -1.355 17.565 19.000 -0.133 0.000 0.822 233 A HN 0.367 nan 8.150 nan 0.000 0.443 234 Y N 0.766 121.132 120.300 0.110 0.000 2.181 234 Y HA -0.137 4.413 4.550 0.000 0.000 0.288 234 Y C 3.050 179.041 175.900 0.153 0.000 1.146 234 Y CA 1.163 59.329 58.100 0.111 0.000 1.164 234 Y CB -0.778 37.838 38.460 0.261 0.000 0.982 234 Y HN 0.263 nan 8.280 nan 0.000 0.515 235 S N -0.505 115.382 115.700 0.312 0.000 2.370 235 S HA -0.165 4.305 4.470 0.000 0.000 0.226 235 S C 2.275 177.004 174.600 0.215 0.000 1.033 235 S CA 1.419 59.751 58.200 0.220 0.000 1.011 235 S CB -0.694 62.475 63.200 -0.052 0.000 0.852 235 S HN 0.231 nan 8.310 nan 0.000 0.457 236 V N 1.964 122.036 119.914 0.263 0.000 2.427 236 V HA -0.127 3.993 4.120 0.000 0.000 0.248 236 V C 2.142 178.413 176.094 0.296 0.000 1.051 236 V CA 1.380 63.861 62.300 0.302 0.000 1.048 236 V CB -0.682 31.321 31.823 0.299 0.000 0.666 236 V HN 0.410 nan 8.190 nan 0.000 0.456 237 L N -0.315 121.004 121.223 0.159 0.000 2.046 237 L HA -0.188 4.152 4.340 0.000 0.000 0.208 237 L C 2.382 179.373 176.870 0.201 0.000 1.077 237 L CA 1.569 56.458 54.840 0.082 0.000 0.747 237 L CB -0.717 41.101 42.059 -0.402 0.000 0.896 237 L HN 0.321 nan 8.230 nan 0.000 0.432 238 D N -0.358 120.159 120.400 0.195 0.000 2.123 238 D HA -0.168 4.473 4.640 0.000 0.000 0.196 238 D C 2.321 178.454 176.300 -0.279 0.000 0.992 238 D CA 1.071 55.107 54.000 0.060 0.000 0.833 238 D CB -0.259 40.618 40.800 0.128 0.000 0.954 238 D HN 0.056 nan 8.370 nan 0.000 0.455 239 V N 0.305 120.099 119.914 -0.200 0.000 2.332 239 V HA -0.259 3.861 4.120 0.000 0.000 0.248 239 V C 2.094 177.989 176.094 -0.331 0.000 1.055 239 V CA 1.497 63.600 62.300 -0.328 0.000 1.038 239 V CB -0.464 31.274 31.823 -0.142 0.000 0.651 239 V HN 0.107 nan 8.190 nan 0.000 0.450 240 F N 0.084 120.073 119.950 0.064 0.000 2.179 240 F HA 0.116 4.643 4.527 0.000 0.000 0.292 240 F C 2.379 178.299 175.800 0.200 0.000 1.089 240 F CA 1.119 59.208 58.000 0.149 0.000 1.295 240 F CB -0.897 38.187 39.000 0.140 0.000 1.041 240 F HN 0.058 nan 8.300 nan 0.000 0.487 241 A N -0.317 122.702 122.820 0.331 0.000 2.015 241 A HA -0.120 4.200 4.320 0.000 0.000 0.219 241 A C 2.050 179.745 177.584 0.186 0.000 1.163 241 A CA 1.563 53.778 52.037 0.296 0.000 0.646 241 A CB -0.342 18.837 19.000 0.300 0.000 0.806 241 A HN 0.333 nan 8.150 nan 0.000 0.448 242 K N -2.031 118.421 120.400 0.086 0.000 2.274 242 K HA 0.144 4.464 4.320 0.000 0.000 0.219 242 K C 1.879 178.719 176.600 0.400 0.000 1.058 242 K CA 0.677 57.045 56.287 0.135 0.000 0.920 242 K CB -0.275 32.169 32.500 -0.094 0.000 1.124 242 K HN 0.388 nan 8.250 nan 0.000 0.464 243 Y N 1.365 121.860 120.300 0.325 0.000 2.133 243 Y HA -0.131 4.419 4.550 0.000 0.000 0.287 243 Y C 2.403 178.551 175.900 0.412 0.000 1.134 243 Y CA 0.191 58.506 58.100 0.358 0.000 1.133 243 Y CB -1.225 37.321 38.460 0.143 0.000 0.987 243 Y HN -0.215 nan 8.280 nan 0.000 0.502 244 V N 0.193 120.325 119.914 0.363 0.000 2.358 244 V HA -0.286 3.834 4.120 0.000 0.000 0.246 244 V C 2.221 178.564 176.094 0.415 0.000 1.047 244 V CA 1.751 64.251 62.300 0.332 0.000 1.035 244 V CB -1.052 30.876 31.823 0.175 0.000 0.658 244 V HN 0.378 nan 8.190 nan 0.000 0.452 245 F N 1.918 122.036 119.950 0.279 0.000 2.043 245 F HA -0.280 4.247 4.527 0.000 0.000 0.297 245 F C 2.290 178.210 175.800 0.200 0.000 1.121 245 F CA 2.104 60.241 58.000 0.229 0.000 1.199 245 F CB -0.646 38.483 39.000 0.215 0.000 0.968 245 F HN 0.073 nan 8.300 nan 0.000 0.478 246 A N -0.157 122.841 122.820 0.296 0.000 1.933 246 A HA -0.183 4.137 4.320 0.000 0.000 0.218 246 A C 2.146 179.586 177.584 -0.239 0.000 1.175 246 A CA 1.497 53.549 52.037 0.024 0.000 0.628 246 A CB -1.630 17.547 19.000 0.296 0.000 0.814 246 A HN 0.628 nan 8.150 nan 0.000 0.444 247 F N 0.733 120.661 119.950 -0.037 0.000 2.102 247 F HA -0.138 4.389 4.527 0.000 0.000 0.298 247 F C 1.913 177.694 175.800 -0.031 0.000 1.105 247 F CA 1.709 59.713 58.000 0.007 0.000 1.239 247 F CB -0.250 38.947 39.000 0.328 0.000 0.991 247 F HN 0.178 nan 8.300 nan 0.000 0.474 248 I N -0.089 120.467 120.570 -0.023 0.000 2.163 248 I HA -0.285 3.885 4.170 0.000 0.000 0.243 248 I C 2.378 178.366 176.117 -0.215 0.000 1.085 248 I CA 1.239 62.464 61.300 -0.125 0.000 1.347 248 I CB -0.648 37.367 38.000 0.024 0.000 1.044 248 I HN 0.292 nan 8.210 nan 0.000 0.408 249 L N 0.680 121.717 121.223 -0.310 0.000 1.994 249 L HA -0.204 4.136 4.340 0.000 0.000 0.208 249 L C 2.253 179.033 176.870 -0.151 0.000 1.071 249 L CA 1.823 56.500 54.840 -0.271 0.000 0.745 249 L CB -0.786 40.999 42.059 -0.456 0.000 0.892 249 L HN 0.148 nan 8.230 nan 0.000 0.431 250 L N -0.185 120.882 121.223 -0.261 0.000 2.083 250 L HA -0.170 4.170 4.340 0.000 0.000 0.209 250 L C 2.758 179.491 176.870 -0.229 0.000 1.083 250 L CA 1.913 56.619 54.840 -0.224 0.000 0.752 250 L CB -0.780 41.075 42.059 -0.339 0.000 0.899 250 L HN 0.395 nan 8.230 nan 0.000 0.433 251 R N -1.752 118.523 120.500 -0.374 0.000 2.073 251 R HA -0.256 4.084 4.340 0.000 0.000 0.234 251 R C 2.278 178.476 176.300 -0.170 0.000 1.134 251 R CA 2.049 57.935 56.100 -0.357 0.000 0.952 251 R CB -0.720 29.223 30.300 -0.594 0.000 0.850 251 R HN 0.561 nan 8.270 nan 0.000 0.433 252 W N 0.254 121.413 121.300 -0.234 0.000 2.358 252 W HA -0.172 4.489 4.660 0.000 0.000 0.303 252 W C 1.787 178.232 176.519 -0.123 0.000 1.208 252 W CA 1.319 58.576 57.345 -0.147 0.000 1.274 252 W CB -0.232 29.155 29.460 -0.121 0.000 1.138 252 W HN -0.136 nan 8.180 nan 0.000 0.515 253 V N 1.128 121.132 119.914 0.150 0.000 2.407 253 V HA -0.296 3.824 4.120 0.000 0.000 0.248 253 V C 2.441 178.429 176.094 -0.177 0.000 1.055 253 V CA 2.026 64.347 62.300 0.035 0.000 1.049 253 V CB -1.627 30.258 31.823 0.105 0.000 0.662 253 V HN 0.328 nan 8.190 nan 0.000 0.455 254 A N 0.315 123.022 122.820 -0.188 0.000 1.902 254 A HA -0.206 4.114 4.320 0.000 0.000 0.217 254 A C 1.983 179.411 177.584 -0.260 0.000 1.181 254 A CA 1.933 53.836 52.037 -0.223 0.000 0.623 254 A CB -0.573 18.295 19.000 -0.219 0.000 0.818 254 A HN 0.578 nan 8.150 nan 0.000 0.443 255 N N 0.287 118.795 118.700 -0.320 0.000 2.494 255 N HA -0.020 4.720 4.740 0.000 0.000 0.182 255 N C -0.014 175.211 175.510 -0.475 0.000 1.076 255 N CA 0.566 53.402 53.050 -0.357 0.000 0.908 255 N CB -0.065 38.216 38.487 -0.342 0.000 0.967 255 N HN 0.504 nan 8.380 nan 0.000 0.449 256 N N 0.410 118.733 118.700 -0.627 0.000 2.536 256 N HA 0.001 4.742 4.740 0.000 0.000 0.286 256 N C 0.516 175.773 175.510 -0.422 0.000 1.577 256 N CA 0.078 52.714 53.050 -0.691 0.000 0.883 256 N CB 0.791 38.377 38.487 -1.501 0.000 1.390 256 N HN 0.455 nan 8.380 nan 0.000 0.491 257 E N 0.779 120.814 120.200 -0.274 0.000 2.204 257 E HA -0.128 4.223 4.350 0.000 0.000 0.195 257 E C 1.460 177.998 176.600 -0.103 0.000 0.990 257 E CA 0.757 57.063 56.400 -0.156 0.000 0.821 257 E CB 0.009 29.628 29.700 -0.135 0.000 0.750 257 E HN 0.206 nan 8.360 nan 0.000 0.477 258 R N 0.478 120.910 120.500 -0.114 0.000 2.081 258 R HA -0.051 4.289 4.340 0.000 0.000 0.235 258 R C 2.381 178.655 176.300 -0.043 0.000 1.131 258 R CA 1.915 57.972 56.100 -0.071 0.000 0.960 258 R CB -0.404 29.853 30.300 -0.072 0.000 0.856 258 R HN 0.209 nan 8.270 nan 0.000 0.436 259 T N 0.550 115.075 114.554 -0.048 0.000 2.746 259 T HA -0.093 4.257 4.350 0.000 0.000 0.267 259 T C 1.930 176.666 174.700 0.061 0.000 1.039 259 T CA 1.310 63.423 62.100 0.022 0.000 1.142 259 T CB -0.079 68.836 68.868 0.079 0.000 0.866 259 T HN 0.009 nan 8.240 nan 0.000 0.444 260 V N 1.409 121.361 119.914 0.063 0.000 2.453 260 V HA -0.014 4.106 4.120 0.000 0.000 0.247 260 V C 2.790 178.906 176.094 0.037 0.000 1.048 260 V CA 1.395 63.746 62.300 0.086 0.000 1.049 260 V CB -0.990 30.904 31.823 0.119 0.000 0.672 260 V HN 0.497 nan 8.190 nan 0.000 0.457 261 A N -0.238 122.589 122.820 0.011 0.000 2.066 261 A HA 0.311 4.631 4.320 0.000 0.000 0.218 261 A C 1.240 178.825 177.584 0.002 0.000 1.157 261 A CA 1.415 53.453 52.037 0.003 0.000 0.670 261 A CB -0.666 18.328 19.000 -0.010 0.000 0.804 261 A HN 0.520 nan 8.150 nan 0.000 0.453 262 V N 0.000 119.916 119.914 0.004 0.000 2.409 262 V HA 0.000 4.120 4.120 0.000 0.000 0.244 262 V CA 0.000 62.301 62.300 0.002 0.000 1.235 262 V CB 0.000 31.824 31.823 0.001 0.000 1.184 262 V HN 0.000 nan 8.190 nan 0.000 0.556