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 1odl_1_C DATA FIRST_RESID 2 DATA SEQUENCE SPIHVRAHPG DVAERVLLPG DPGRAEWIAK TFLQNPRRYN DHRGLWGYTG DATA SEQUENCE LYKGVPVSVQ TTGMGTPSAA IVVEELVRLG ARVLVRVGTA GAASSDLAPG DATA SEQUENCE ELIVAQGAVP LDGTTRQYLE GRPYAPVPDP EVFRALWRRA EALGYPHRVG DATA SEQUENCE LVASEDAFYA TTPEEARAWA RYGVLAFEME ASALFLLGRM RGVRTGAILA DATA SEQUENCE VSNRIGDPEL APPEVLQEGV RRMVEVALEA VLEV 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.499 174.600 -0.168 0.000 1.055 2 S CA 0.000 58.030 58.200 -0.283 0.000 1.107 2 S CB 0.000 62.936 63.200 -0.440 0.000 0.593 3 P HA 0.309 nan 4.420 nan 0.000 0.270 3 P C 0.877 178.112 177.300 -0.107 0.000 1.221 3 P CA -0.319 62.737 63.100 -0.073 0.000 0.788 3 P CB 0.300 31.983 31.700 -0.029 0.000 0.904 4 I N 0.098 120.617 120.570 -0.083 0.000 2.286 4 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 4 I C 1.616 177.465 176.117 -0.447 0.000 1.104 4 I CA 1.479 62.622 61.300 -0.261 0.000 1.397 4 I CB -0.379 37.442 38.000 -0.297 0.000 1.072 4 I HN 0.472 nan 8.210 nan 0.000 0.417 5 H N -0.631 118.390 119.070 -0.081 0.000 2.379 5 H HA 0.185 4.741 4.556 -0.000 0.000 0.308 5 H C 0.551 175.874 175.328 -0.008 0.000 1.047 5 H CA 0.242 56.277 56.048 -0.022 0.000 1.371 5 H CB -0.235 29.561 29.762 0.056 0.000 1.449 5 H HN -0.087 nan 8.280 nan 0.000 0.564 6 V N 3.451 123.454 119.914 0.147 0.000 2.313 6 V HA 0.135 4.255 4.120 -0.000 0.000 0.252 6 V C 0.186 176.307 176.094 0.045 0.000 1.112 6 V CA -0.100 62.278 62.300 0.131 0.000 0.984 6 V CB 0.035 31.951 31.823 0.156 0.000 1.157 6 V HN 0.323 nan 8.190 nan 0.000 0.493 7 R N 3.671 124.173 120.500 0.004 0.000 3.710 7 R HA 0.529 4.869 4.340 -0.000 0.000 0.201 7 R C 0.345 176.664 176.300 0.031 0.000 1.641 7 R CA 0.040 56.108 56.100 -0.054 0.000 1.390 7 R CB 0.337 30.571 30.300 -0.110 0.000 1.341 7 R HN 0.742 nan 8.270 nan 0.000 0.728 8 A N 0.979 123.797 122.820 -0.004 0.000 2.392 8 A HA 0.684 5.004 4.320 -0.000 0.000 0.283 8 A C -0.908 176.570 177.584 -0.177 0.000 1.197 8 A CA -0.675 51.401 52.037 0.064 0.000 0.895 8 A CB 0.924 19.963 19.000 0.066 0.000 1.400 8 A HN 0.557 nan 8.150 nan 0.000 0.461 9 H N -1.295 117.756 119.070 -0.033 0.000 2.907 9 H HA 0.528 5.084 4.556 -0.000 0.000 0.361 9 H C -2.711 172.579 175.328 -0.064 0.000 1.194 9 H CA -1.744 54.282 56.048 -0.038 0.000 1.152 9 H CB 0.933 30.683 29.762 -0.020 0.000 1.867 9 H HN 0.354 nan 8.280 nan 0.000 0.561 10 P HA 0.065 nan 4.420 nan 0.000 0.261 10 P C 0.701 178.005 177.300 0.008 0.000 1.183 10 P CA 1.745 64.852 63.100 0.011 0.000 0.761 10 P CB 0.409 32.122 31.700 0.021 0.000 0.785 11 G N 3.129 111.913 108.800 -0.028 0.000 2.259 11 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 11 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 11 G C 0.935 175.804 174.900 -0.052 0.000 1.001 11 G CA 0.103 45.188 45.100 -0.025 0.000 0.627 11 G HN 0.448 nan 8.290 nan 0.000 0.501 12 D N 0.312 120.649 120.400 -0.104 0.000 2.162 12 D HA 0.141 4.781 4.640 -0.000 0.000 0.203 12 D C 1.361 177.429 176.300 -0.387 0.000 0.967 12 D CA 1.120 55.000 54.000 -0.200 0.000 0.840 12 D CB 0.143 40.783 40.800 -0.268 0.000 0.972 12 D HN 0.375 nan 8.370 nan 0.000 0.482 13 V N 1.529 121.204 119.914 -0.399 0.000 2.407 13 V HA 0.512 4.632 4.120 -0.000 0.000 0.278 13 V C 0.571 176.593 176.094 -0.120 0.000 1.037 13 V CA -0.971 61.129 62.300 -0.332 0.000 0.900 13 V CB 1.177 32.815 31.823 -0.308 0.000 0.983 13 V HN 0.088 nan 8.190 nan 0.000 0.459 14 A N 3.637 126.431 122.820 -0.043 0.000 2.280 14 A HA 0.369 4.689 4.320 -0.000 0.000 0.268 14 A C 1.119 178.705 177.584 0.004 0.000 1.111 14 A CA -0.172 51.866 52.037 0.001 0.000 0.814 14 A CB 0.206 19.231 19.000 0.040 0.000 1.093 14 A HN 0.908 nan 8.150 nan 0.000 0.498 15 E N -0.185 120.024 120.200 0.014 0.000 2.106 15 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 15 E C 0.154 176.769 176.600 0.025 0.000 0.984 15 E CA 0.819 57.228 56.400 0.015 0.000 0.806 15 E CB 0.014 29.724 29.700 0.017 0.000 0.750 15 E HN 0.511 nan 8.360 nan 0.000 0.458 16 R N 0.877 121.397 120.500 0.034 0.000 2.265 16 R HA 0.363 4.703 4.340 -0.000 0.000 0.319 16 R C -0.968 175.359 176.300 0.045 0.000 1.006 16 R CA -0.310 55.812 56.100 0.037 0.000 0.880 16 R CB 1.742 32.066 30.300 0.039 0.000 1.077 16 R HN -0.136 nan 8.270 nan 0.000 0.454 17 V N 4.627 124.569 119.914 0.046 0.000 2.760 17 V HA 0.387 4.507 4.120 -0.000 0.000 0.309 17 V C -0.250 175.873 176.094 0.049 0.000 1.077 17 V CA -0.922 61.415 62.300 0.063 0.000 0.910 17 V CB 2.188 34.057 31.823 0.077 0.000 1.008 17 V HN 0.587 nan 8.190 nan 0.000 0.424 18 L N 4.540 125.793 121.223 0.049 0.000 2.343 18 L HA 0.609 4.949 4.340 -0.000 0.000 0.275 18 L C -0.732 176.173 176.870 0.058 0.000 1.056 18 L CA -0.618 54.240 54.840 0.029 0.000 0.804 18 L CB 1.672 43.726 42.059 -0.009 0.000 1.203 18 L HN 0.494 nan 8.230 nan 0.000 0.440 19 L N 4.630 125.880 121.223 0.045 0.000 2.457 19 L HA 0.352 4.692 4.340 -0.000 0.000 0.252 19 L C -2.314 174.577 176.870 0.035 0.000 1.132 19 L CA -1.479 53.390 54.840 0.048 0.000 0.938 19 L CB 1.284 43.364 42.059 0.036 0.000 1.246 19 L HN 0.315 nan 8.230 nan 0.000 0.476 20 P HA 0.161 nan 4.420 nan 0.000 0.281 20 P C 0.523 177.833 177.300 0.017 0.000 1.249 20 P CA -0.258 62.863 63.100 0.035 0.000 0.810 20 P CB 2.143 33.882 31.700 0.065 0.000 1.008 21 G N 1.114 109.908 108.800 -0.011 0.000 2.453 21 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.215 21 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.215 21 G C 0.362 175.231 174.900 -0.051 0.000 1.147 21 G CA 0.346 45.427 45.100 -0.032 0.000 0.802 21 G HN 0.508 nan 8.290 nan 0.000 0.535 22 D N 0.739 121.109 120.400 -0.051 0.000 2.316 22 D HA 0.198 4.838 4.640 -0.000 0.000 0.245 22 D C -0.982 175.276 176.300 -0.070 0.000 1.171 22 D CA -2.419 51.532 54.000 -0.081 0.000 0.856 22 D CB 2.105 42.860 40.800 -0.075 0.000 1.090 22 D HN 0.043 nan 8.370 nan 0.000 0.476 23 P HA -0.080 nan 4.420 nan 0.000 0.220 23 P C 1.271 178.518 177.300 -0.090 0.000 1.148 23 P CA 0.707 63.677 63.100 -0.216 0.000 0.803 23 P CB 0.268 31.542 31.700 -0.710 0.000 0.782 24 G N 0.640 109.363 108.800 -0.127 0.000 2.418 24 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 24 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 24 G C 1.918 176.907 174.900 0.147 0.000 1.158 24 G CA 0.452 45.569 45.100 0.028 0.000 0.771 24 G HN 0.235 nan 8.290 nan 0.000 0.545 25 R N 0.482 121.041 120.500 0.098 0.000 2.096 25 R HA 0.036 4.376 4.340 -0.000 0.000 0.235 25 R C 2.861 179.323 176.300 0.271 0.000 1.127 25 R CA 1.297 57.504 56.100 0.178 0.000 0.968 25 R CB -0.316 30.037 30.300 0.089 0.000 0.861 25 R HN 0.300 nan 8.270 nan 0.000 0.440 26 A N 1.050 124.000 122.820 0.217 0.000 1.865 26 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 26 A C 2.015 179.642 177.584 0.072 0.000 1.191 26 A CA 1.764 53.936 52.037 0.224 0.000 0.623 26 A CB -0.679 18.532 19.000 0.353 0.000 0.826 26 A HN 0.586 nan 8.150 nan 0.000 0.444 27 E N -1.550 118.729 120.200 0.132 0.000 2.058 27 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 27 E C 1.843 178.392 176.600 -0.085 0.000 0.997 27 E CA 1.625 57.917 56.400 -0.179 0.000 0.801 27 E CB -0.342 29.525 29.700 0.278 0.000 0.746 27 E HN 0.779 nan 8.360 nan 0.000 0.450 28 W N 0.973 122.253 121.300 -0.034 0.000 2.392 28 W HA -0.091 4.569 4.660 -0.000 0.000 0.279 28 W C 1.698 178.246 176.519 0.048 0.000 1.225 28 W CA 1.232 58.578 57.345 0.002 0.000 1.233 28 W CB -0.048 29.435 29.460 0.039 0.000 1.122 28 W HN 0.072 nan 8.180 nan 0.000 0.561 29 I N 0.402 121.016 120.570 0.075 0.000 2.286 29 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 29 I C 2.622 178.698 176.117 -0.069 0.000 1.104 29 I CA 1.237 62.529 61.300 -0.013 0.000 1.397 29 I CB -0.952 37.107 38.000 0.100 0.000 1.072 29 I HN 0.055 nan 8.210 nan 0.000 0.417 30 A N 1.001 123.721 122.820 -0.167 0.000 1.902 30 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 30 A C 2.250 179.728 177.584 -0.177 0.000 1.181 30 A CA 1.528 53.454 52.037 -0.184 0.000 0.623 30 A CB -0.375 18.364 19.000 -0.435 0.000 0.818 30 A HN 0.322 nan 8.150 nan 0.000 0.443 31 K N -1.015 119.233 120.400 -0.253 0.000 2.296 31 K HA -0.000 4.320 4.320 -0.000 0.000 0.200 31 K C 1.564 177.991 176.600 -0.288 0.000 1.048 31 K CA 1.404 57.561 56.287 -0.216 0.000 0.966 31 K CB -0.046 32.347 32.500 -0.179 0.000 0.754 31 K HN 0.449 nan 8.250 nan 0.000 0.466 32 T N -0.155 114.118 114.554 -0.468 0.000 3.039 32 T HA 0.083 4.433 4.350 -0.000 0.000 0.250 32 T C 1.101 175.387 174.700 -0.690 0.000 1.052 32 T CA 0.662 62.332 62.100 -0.716 0.000 1.125 32 T CB 0.050 68.096 68.868 -1.371 0.000 0.908 32 T HN 0.063 nan 8.240 nan 0.000 0.473 33 F N 0.486 120.277 119.950 -0.265 0.000 2.712 33 F HA 0.460 4.987 4.527 -0.000 0.000 0.297 33 F C 0.541 176.373 175.800 0.053 0.000 1.114 33 F CA -0.361 57.596 58.000 -0.071 0.000 1.305 33 F CB 0.204 39.144 39.000 -0.099 0.000 1.086 33 F HN -0.063 nan 8.300 nan 0.000 0.599 34 L N 1.614 122.927 121.223 0.151 0.000 2.325 34 L HA 0.387 4.727 4.340 -0.000 0.000 0.279 34 L C -0.241 176.667 176.870 0.062 0.000 1.054 34 L CA -0.894 54.026 54.840 0.132 0.000 0.804 34 L CB 0.728 42.850 42.059 0.106 0.000 1.200 34 L HN -0.104 nan 8.230 nan 0.000 0.436 35 Q N 2.387 122.227 119.800 0.067 0.000 2.274 35 Q HA 0.133 4.473 4.340 -0.000 0.000 0.256 35 Q C -0.058 175.965 176.000 0.038 0.000 0.927 35 Q CA -0.332 55.490 55.803 0.032 0.000 0.939 35 Q CB 1.078 29.828 28.738 0.020 0.000 1.201 35 Q HN 0.596 nan 8.270 nan 0.000 0.426 36 N N 1.361 120.077 118.700 0.026 0.000 2.738 36 N HA -0.121 4.619 4.740 -0.000 0.000 0.249 36 N C -2.463 173.080 175.510 0.056 0.000 1.047 36 N CA 0.138 53.208 53.050 0.033 0.000 0.707 36 N CB -0.357 38.149 38.487 0.031 0.000 0.937 36 N HN 0.379 nan 8.380 nan 0.000 0.545 37 P HA 0.074 nan 4.420 nan 0.000 0.268 37 P C -0.550 176.829 177.300 0.131 0.000 1.205 37 P CA 0.278 63.439 63.100 0.102 0.000 0.771 37 P CB 0.813 32.550 31.700 0.061 0.000 0.858 38 R N 2.621 123.228 120.500 0.178 0.000 2.628 38 R HA 0.373 4.713 4.340 -0.000 0.000 0.288 38 R C -0.724 175.656 176.300 0.133 0.000 0.980 38 R CA -0.918 55.269 56.100 0.144 0.000 0.891 38 R CB 1.836 32.206 30.300 0.117 0.000 1.188 38 R HN 0.494 nan 8.270 nan 0.000 0.450 39 R N 3.876 124.360 120.500 -0.027 0.000 2.202 39 R HA 0.113 4.453 4.340 -0.000 0.000 0.334 39 R C -0.007 176.140 176.300 -0.255 0.000 1.036 39 R CA -0.191 55.663 56.100 -0.411 0.000 0.878 39 R CB 0.417 30.315 30.300 -0.670 0.000 1.067 39 R HN 0.736 nan 8.270 nan 0.000 0.457 40 Y N 1.714 121.928 120.300 -0.143 0.000 2.510 40 Y HA 0.360 4.910 4.550 -0.000 0.000 0.273 40 Y C -0.239 175.631 175.900 -0.050 0.000 1.119 40 Y CA -0.740 57.325 58.100 -0.058 0.000 1.286 40 Y CB 0.227 38.685 38.460 -0.004 0.000 1.061 40 Y HN 0.470 nan 8.280 nan 0.000 0.542 41 N N 0.329 118.834 118.700 -0.325 0.000 2.308 41 N HA 0.179 4.919 4.740 -0.000 0.000 0.283 41 N C -0.836 174.581 175.510 -0.155 0.000 1.105 41 N CA -0.043 52.943 53.050 -0.106 0.000 0.840 41 N CB 1.541 40.066 38.487 0.063 0.000 1.633 41 N HN 0.270 nan 8.380 nan 0.000 0.476 42 D N -0.116 120.288 120.400 0.008 0.000 2.460 42 D HA -0.045 4.595 4.640 -0.000 0.000 0.263 42 D C -0.307 176.117 176.300 0.206 0.000 1.209 42 D CA -0.169 53.889 54.000 0.096 0.000 0.818 42 D CB -0.323 40.428 40.800 -0.081 0.000 1.239 42 D HN 0.533 nan 8.370 nan 0.000 0.530 43 H N 2.788 121.911 119.070 0.087 0.000 3.064 43 H HA 0.022 4.578 4.556 -0.000 0.000 0.329 43 H C 0.467 175.856 175.328 0.102 0.000 1.020 43 H CA 1.321 57.418 56.048 0.082 0.000 1.402 43 H CB 0.463 30.260 29.762 0.058 0.000 1.379 43 H HN 0.119 nan 8.280 nan 0.000 0.594 44 R N 2.473 122.838 120.500 -0.226 0.000 3.741 44 R HA -0.232 4.108 4.340 -0.000 0.000 0.292 44 R C 1.125 177.438 176.300 0.021 0.000 1.176 44 R CA 0.878 56.941 56.100 -0.063 0.000 0.794 44 R CB -1.803 28.561 30.300 0.107 0.000 1.213 44 R HN 1.090 nan 8.270 nan 0.000 0.494 45 G N -0.151 108.688 108.800 0.066 0.000 2.196 45 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.268 45 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.268 45 G C 0.277 175.145 174.900 -0.053 0.000 0.975 45 G CA 0.515 45.616 45.100 0.002 0.000 0.648 45 G HN 0.343 nan 8.290 nan 0.000 0.538 46 L N 0.710 121.997 121.223 0.107 0.000 2.437 46 L HA 0.245 4.585 4.340 -0.000 0.000 0.243 46 L C 0.541 177.531 176.870 0.201 0.000 1.346 46 L CA -1.036 53.869 54.840 0.108 0.000 1.233 46 L CB -0.467 41.672 42.059 0.133 0.000 1.436 46 L HN 0.114 nan 8.230 nan 0.000 0.416 47 W N 1.711 122.981 121.300 -0.051 0.000 2.385 47 W HA 0.256 4.916 4.660 -0.000 0.000 0.336 47 W C 0.920 177.279 176.519 -0.267 0.000 1.351 47 W CA -0.648 56.590 57.345 -0.178 0.000 1.295 47 W CB 0.041 29.495 29.460 -0.009 0.000 1.239 47 W HN 0.273 nan 8.180 nan 0.000 0.565 48 G N 3.686 112.196 108.800 -0.485 0.000 2.666 48 G HA2 0.630 4.590 3.960 -0.000 0.000 0.303 48 G HA3 0.630 4.590 3.960 -0.000 0.000 0.303 48 G C -2.022 172.091 174.900 -1.312 0.000 1.412 48 G CA -0.557 44.071 45.100 -0.787 0.000 0.979 48 G HN 0.260 nan 8.290 nan 0.000 0.507 49 Y N 0.266 120.349 120.300 -0.360 0.000 2.598 49 Y HA 0.794 5.344 4.550 -0.000 0.000 0.340 49 Y C 0.518 176.557 175.900 0.233 0.000 1.038 49 Y CA -0.934 57.109 58.100 -0.094 0.000 1.100 49 Y CB 2.844 41.297 38.460 -0.011 0.000 1.281 49 Y HN 0.429 nan 8.280 nan 0.000 0.488 50 T N 0.753 115.552 114.554 0.408 0.000 3.032 50 T HA 0.706 5.056 4.350 -0.000 0.000 0.312 50 T C -0.308 174.518 174.700 0.211 0.000 1.078 50 T CA -0.747 61.542 62.100 0.315 0.000 1.028 50 T CB 1.630 70.674 68.868 0.292 0.000 1.091 50 T HN 1.033 nan 8.240 nan 0.000 0.457 51 G N 1.446 110.345 108.800 0.165 0.000 2.731 51 G HA2 0.726 4.686 3.960 -0.000 0.000 0.309 51 G HA3 0.726 4.686 3.960 -0.000 0.000 0.309 51 G C -1.976 172.996 174.900 0.120 0.000 1.273 51 G CA -0.760 44.417 45.100 0.127 0.000 0.798 51 G HN 0.683 nan 8.290 nan 0.000 0.509 52 L N 0.178 121.467 121.223 0.110 0.000 2.329 52 L HA 0.540 4.880 4.340 -0.000 0.000 0.279 52 L C -1.453 175.516 176.870 0.165 0.000 1.014 52 L CA -0.955 53.953 54.840 0.113 0.000 0.814 52 L CB 2.180 44.278 42.059 0.064 0.000 1.257 52 L HN 0.587 nan 8.230 nan 0.000 0.424 53 Y N 3.408 123.733 120.300 0.042 0.000 2.332 53 Y HA 0.260 4.810 4.550 -0.000 0.000 0.326 53 Y C 0.003 175.925 175.900 0.036 0.000 0.978 53 Y CA -1.245 56.883 58.100 0.048 0.000 1.205 53 Y CB 0.819 39.308 38.460 0.049 0.000 1.131 53 Y HN 0.559 nan 8.280 nan 0.000 0.462 54 K N 4.814 124.959 120.400 -0.426 0.000 3.148 54 K HA -0.246 4.074 4.320 -0.000 0.000 0.267 54 K C 0.988 177.515 176.600 -0.121 0.000 0.996 54 K CA 0.970 57.063 56.287 -0.324 0.000 0.737 54 K CB -1.574 30.657 32.500 -0.449 0.000 1.308 54 K HN 1.320 nan 8.250 nan 0.000 0.470 55 G N -1.570 107.194 108.800 -0.061 0.000 2.245 55 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.264 55 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.264 55 G C 0.248 175.159 174.900 0.019 0.000 0.985 55 G CA 0.298 45.389 45.100 -0.015 0.000 0.625 55 G HN 0.293 nan 8.290 nan 0.000 0.536 56 V N 2.007 121.949 119.914 0.046 0.000 2.481 56 V HA 0.516 4.636 4.120 -0.000 0.000 0.286 56 V C -1.881 174.271 176.094 0.097 0.000 1.042 56 V CA -1.730 60.614 62.300 0.073 0.000 0.928 56 V CB 1.837 33.717 31.823 0.094 0.000 0.986 56 V HN 0.065 nan 8.190 nan 0.000 0.462 57 P HA 0.294 nan 4.420 nan 0.000 0.271 57 P C -1.032 176.323 177.300 0.091 0.000 1.220 57 P CA 0.084 63.232 63.100 0.080 0.000 0.768 57 P CB 0.760 32.493 31.700 0.056 0.000 0.848 58 V N 3.202 123.180 119.914 0.107 0.000 2.808 58 V HA 0.372 4.492 4.120 -0.000 0.000 0.308 58 V C -0.148 176.020 176.094 0.124 0.000 1.099 58 V CA -0.414 61.945 62.300 0.098 0.000 0.920 58 V CB 2.402 34.276 31.823 0.084 0.000 1.014 58 V HN 0.392 nan 8.190 nan 0.000 0.425 59 S N 2.368 118.145 115.700 0.129 0.000 2.593 59 S HA 0.788 5.258 4.470 -0.000 0.000 0.297 59 S C -0.647 174.069 174.600 0.194 0.000 1.112 59 S CA -0.609 57.718 58.200 0.212 0.000 1.043 59 S CB 1.977 65.310 63.200 0.221 0.000 1.054 59 S HN 0.501 nan 8.310 nan 0.000 0.516 60 V N 2.989 123.060 119.914 0.261 0.000 2.419 60 V HA 0.441 4.561 4.120 -0.000 0.000 0.287 60 V C -0.664 175.590 176.094 0.267 0.000 1.017 60 V CA -0.628 61.803 62.300 0.218 0.000 0.844 60 V CB 1.173 33.110 31.823 0.191 0.000 1.011 60 V HN 0.774 nan 8.190 nan 0.000 0.429 61 Q N 2.914 122.844 119.800 0.217 0.000 2.322 61 Q HA 0.524 4.864 4.340 -0.000 0.000 0.265 61 Q C -0.213 175.875 176.000 0.147 0.000 0.985 61 Q CA -0.107 55.816 55.803 0.201 0.000 0.849 61 Q CB 1.883 30.760 28.738 0.231 0.000 1.274 61 Q HN 0.736 nan 8.270 nan 0.000 0.449 62 T N 3.058 117.696 114.554 0.139 0.000 2.901 62 T HA 0.183 4.533 4.350 -0.000 0.000 0.301 62 T C 1.010 175.744 174.700 0.056 0.000 1.012 62 T CA 0.551 62.702 62.100 0.086 0.000 1.135 62 T CB 0.773 69.676 68.868 0.058 0.000 0.936 62 T HN 0.807 nan 8.240 nan 0.000 0.539 63 T N -0.082 114.487 114.554 0.024 0.000 3.023 63 T HA 0.497 4.847 4.350 -0.000 0.000 0.249 63 T C 1.144 175.835 174.700 -0.015 0.000 1.050 63 T CA 0.337 62.443 62.100 0.009 0.000 1.088 63 T CB -0.179 68.687 68.868 -0.003 0.000 0.946 63 T HN 1.158 nan 8.240 nan 0.000 0.480 64 G N 1.612 110.392 108.800 -0.034 0.000 2.660 64 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.247 64 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.247 64 G C -0.689 174.176 174.900 -0.057 0.000 1.328 64 G CA -0.479 44.589 45.100 -0.053 0.000 0.884 64 G HN 0.568 nan 8.290 nan 0.000 0.531 65 M N 0.867 120.428 119.600 -0.065 0.000 2.300 65 M HA 0.583 5.063 4.480 -0.000 0.000 0.348 65 M C 0.706 176.977 176.300 -0.049 0.000 1.151 65 M CA 0.525 55.784 55.300 -0.069 0.000 1.046 65 M CB 1.337 33.878 32.600 -0.098 0.000 1.647 65 M HN 2.602 nan 8.290 nan 0.000 0.451 66 G N 1.108 109.884 108.800 -0.040 0.000 2.692 66 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.686 66 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.686 66 G C 0.317 175.200 174.900 -0.029 0.000 1.243 66 G CA -0.258 44.827 45.100 -0.026 0.000 0.782 66 G HN 0.919 nan 8.290 nan 0.000 0.625 67 T N -1.369 113.171 114.554 -0.024 0.000 2.867 67 T HA 0.008 4.358 4.350 -0.000 0.000 0.268 67 T C 0.115 174.812 174.700 -0.006 0.000 1.057 67 T CA 2.046 64.135 62.100 -0.019 0.000 1.136 67 T CB -0.659 68.203 68.868 -0.010 0.000 0.874 67 T HN 0.420 nan 8.240 nan 0.000 0.466 68 P HA -0.049 nan 4.420 nan 0.000 0.216 68 P C 2.097 179.372 177.300 -0.042 0.000 1.153 68 P CA 1.117 64.202 63.100 -0.025 0.000 0.848 68 P CB -0.223 31.459 31.700 -0.030 0.000 0.787 69 S N -0.884 114.791 115.700 -0.042 0.000 2.345 69 S HA -0.132 4.338 4.470 -0.000 0.000 0.220 69 S C 2.019 176.591 174.600 -0.046 0.000 1.031 69 S CA 1.344 59.513 58.200 -0.053 0.000 0.996 69 S CB -1.153 62.023 63.200 -0.040 0.000 0.882 69 S HN 0.039 nan 8.310 nan 0.000 0.445 70 A N 1.468 124.268 122.820 -0.032 0.000 1.917 70 A HA 0.051 4.371 4.320 -0.000 0.000 0.219 70 A C 2.425 180.000 177.584 -0.015 0.000 1.182 70 A CA 2.098 54.120 52.037 -0.025 0.000 0.633 70 A CB -1.377 17.601 19.000 -0.036 0.000 0.819 70 A HN 0.749 nan 8.150 nan 0.000 0.448 71 A N -0.134 122.687 122.820 0.001 0.000 1.877 71 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 71 A C 2.134 179.729 177.584 0.018 0.000 1.186 71 A CA 1.520 53.583 52.037 0.043 0.000 0.620 71 A CB -0.618 18.469 19.000 0.145 0.000 0.822 71 A HN 0.502 nan 8.150 nan 0.000 0.443 72 I N -0.376 120.167 120.570 -0.045 0.000 2.127 72 I HA -0.256 3.914 4.170 -0.000 0.000 0.241 72 I C 2.375 178.454 176.117 -0.062 0.000 1.075 72 I CA 1.453 62.679 61.300 -0.124 0.000 1.334 72 I CB -0.361 37.426 38.000 -0.356 0.000 1.040 72 I HN 0.168 nan 8.210 nan 0.000 0.405 73 V N 0.219 120.111 119.914 -0.037 0.000 2.343 73 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 73 V C 2.360 178.472 176.094 0.029 0.000 1.051 73 V CA 1.542 63.852 62.300 0.018 0.000 1.036 73 V CB -0.411 31.431 31.823 0.030 0.000 0.654 73 V HN 0.253 nan 8.190 nan 0.000 0.451 74 V N -0.469 119.454 119.914 0.015 0.000 2.379 74 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 74 V C 2.575 178.676 176.094 0.011 0.000 1.044 74 V CA 1.645 63.953 62.300 0.014 0.000 1.036 74 V CB -0.562 31.260 31.823 -0.000 0.000 0.664 74 V HN 0.546 nan 8.190 nan 0.000 0.453 75 E N 0.185 120.392 120.200 0.012 0.000 2.058 75 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 75 E C 2.197 178.809 176.600 0.019 0.000 0.997 75 E CA 1.604 58.014 56.400 0.017 0.000 0.801 75 E CB -0.158 29.568 29.700 0.043 0.000 0.746 75 E HN 0.694 nan 8.360 nan 0.000 0.450 76 E N 0.491 120.707 120.200 0.028 0.000 2.106 76 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 76 E C 2.349 178.960 176.600 0.018 0.000 0.984 76 E CA 0.396 56.814 56.400 0.030 0.000 0.806 76 E CB -0.037 29.697 29.700 0.056 0.000 0.750 76 E HN 0.151 nan 8.360 nan 0.000 0.458 77 L N 0.391 121.630 121.223 0.027 0.000 2.046 77 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 77 L C 2.408 179.279 176.870 0.002 0.000 1.077 77 L CA 0.789 55.641 54.840 0.020 0.000 0.747 77 L CB -0.351 41.733 42.059 0.041 0.000 0.896 77 L HN 0.085 nan 8.230 nan 0.000 0.432 78 V N -0.540 119.377 119.914 0.004 0.000 2.295 78 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 78 V C 2.651 178.740 176.094 -0.007 0.000 1.049 78 V CA 1.524 63.823 62.300 -0.001 0.000 1.024 78 V CB -0.660 31.162 31.823 -0.003 0.000 0.648 78 V HN 0.415 nan 8.190 nan 0.000 0.447 79 R N -0.199 120.297 120.500 -0.007 0.000 2.159 79 R HA -0.045 4.295 4.340 -0.000 0.000 0.237 79 R C 2.030 178.316 176.300 -0.024 0.000 1.131 79 R CA 1.207 57.300 56.100 -0.012 0.000 0.982 79 R CB -0.719 29.575 30.300 -0.009 0.000 0.868 79 R HN 0.467 nan 8.270 nan 0.000 0.453 80 L N -1.180 120.024 121.223 -0.033 0.000 2.492 80 L HA 0.114 4.454 4.340 -0.000 0.000 0.223 80 L C 1.312 178.151 176.870 -0.051 0.000 1.132 80 L CA 0.773 55.581 54.840 -0.054 0.000 0.850 80 L CB 0.132 42.143 42.059 -0.081 0.000 0.966 80 L HN 0.402 nan 8.230 nan 0.000 0.454 81 G N -0.860 107.921 108.800 -0.033 0.000 2.273 81 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.162 81 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.162 81 G C 0.355 175.245 174.900 -0.016 0.000 1.006 81 G CA -0.254 44.831 45.100 -0.026 0.000 0.704 81 G HN 0.342 nan 8.290 nan 0.000 0.487 82 A N 0.391 123.203 122.820 -0.013 0.000 2.511 82 A HA 0.657 4.977 4.320 -0.000 0.000 0.242 82 A C 1.354 178.944 177.584 0.009 0.000 1.069 82 A CA 0.742 52.781 52.037 0.003 0.000 0.763 82 A CB 0.303 19.311 19.000 0.014 0.000 1.001 82 A HN 0.285 nan 8.150 nan 0.000 0.498 83 R N 1.019 121.528 120.500 0.016 0.000 2.576 83 R HA 0.201 4.541 4.340 -0.000 0.000 0.237 83 R C -0.909 175.406 176.300 0.026 0.000 0.917 83 R CA 0.410 56.520 56.100 0.017 0.000 1.002 83 R CB 0.588 30.897 30.300 0.014 0.000 1.428 83 R HN 0.467 nan 8.270 nan 0.000 0.603 84 V N 2.938 122.871 119.914 0.031 0.000 2.445 84 V HA 0.379 4.499 4.120 -0.000 0.000 0.283 84 V C -1.199 174.921 176.094 0.044 0.000 1.014 84 V CA -0.719 61.604 62.300 0.038 0.000 0.852 84 V CB 1.729 33.573 31.823 0.035 0.000 1.021 84 V HN -0.058 nan 8.190 nan 0.000 0.435 85 L N 5.714 126.970 121.223 0.055 0.000 2.305 85 L HA 0.683 5.023 4.340 -0.000 0.000 0.284 85 L C -0.273 176.642 176.870 0.076 0.000 1.013 85 L CA -0.384 54.492 54.840 0.060 0.000 0.819 85 L CB 1.909 44.002 42.059 0.057 0.000 1.227 85 L HN 0.339 nan 8.230 nan 0.000 0.417 86 V N 3.243 123.194 119.914 0.062 0.000 2.378 86 V HA 0.454 4.574 4.120 -0.000 0.000 0.288 86 V C 0.230 176.354 176.094 0.050 0.000 1.016 86 V CA -0.772 61.569 62.300 0.069 0.000 0.840 86 V CB 1.576 33.427 31.823 0.047 0.000 0.994 86 V HN 0.743 nan 8.190 nan 0.000 0.431 87 R N 4.289 124.821 120.500 0.053 0.000 2.442 87 R HA 0.492 4.832 4.340 -0.000 0.000 0.291 87 R C -0.662 175.650 176.300 0.019 0.000 1.069 87 R CA -0.217 55.895 56.100 0.020 0.000 1.022 87 R CB 1.081 31.370 30.300 -0.019 0.000 0.976 87 R HN 0.626 nan 8.270 nan 0.000 0.443 88 V N 2.175 122.095 119.914 0.011 0.000 2.357 88 V HA 0.798 4.918 4.120 -0.000 0.000 0.281 88 V C 0.030 176.127 176.094 0.006 0.000 1.015 88 V CA -0.210 62.094 62.300 0.008 0.000 0.827 88 V CB 0.934 32.758 31.823 0.001 0.000 1.018 88 V HN 0.913 nan 8.190 nan 0.000 0.432 89 G N 3.147 111.945 108.800 -0.002 0.000 3.021 89 G HA2 0.856 4.816 3.960 -0.000 0.000 0.290 89 G HA3 0.856 4.816 3.960 -0.000 0.000 0.290 89 G C -0.428 174.465 174.900 -0.011 0.000 1.291 89 G CA -0.014 45.080 45.100 -0.011 0.000 0.834 89 G HN 1.014 nan 8.290 nan 0.000 0.564 90 T N -3.016 111.530 114.554 -0.013 0.000 2.927 90 T HA 0.871 5.221 4.350 -0.000 0.000 0.286 90 T C -0.227 174.481 174.700 0.013 0.000 1.040 90 T CA -0.026 62.072 62.100 -0.004 0.000 1.010 90 T CB 1.856 70.717 68.868 -0.012 0.000 1.177 90 T HN 2.021 nan 8.240 nan 0.000 0.546 91 A N -0.383 122.454 122.820 0.029 0.000 2.610 91 A HA 0.835 5.155 4.320 -0.000 0.000 0.291 91 A C -0.262 177.364 177.584 0.071 0.000 1.086 91 A CA -0.627 51.443 52.037 0.055 0.000 0.677 91 A CB 1.008 20.028 19.000 0.033 0.000 1.278 91 A HN 1.434 nan 8.150 nan 0.000 0.414 92 G N 0.464 109.327 108.800 0.104 0.000 2.347 92 G HA2 0.674 4.634 3.960 -0.000 0.000 0.314 92 G HA3 0.674 4.634 3.960 -0.000 0.000 0.314 92 G C 0.273 175.245 174.900 0.120 0.000 1.126 92 G CA 0.356 45.508 45.100 0.087 0.000 0.929 92 G HN 1.730 nan 8.290 nan 0.000 0.441 93 A N 1.976 124.845 122.820 0.081 0.000 2.546 93 A HA 0.487 4.807 4.320 -0.000 0.000 0.243 93 A C 1.549 179.208 177.584 0.124 0.000 1.063 93 A CA 0.570 52.659 52.037 0.086 0.000 0.757 93 A CB 0.512 19.543 19.000 0.053 0.000 0.991 93 A HN 1.570 nan 8.150 nan 0.000 0.503 94 A N 2.452 125.378 122.820 0.177 0.000 2.195 94 A HA 0.369 4.689 4.320 -0.000 0.000 0.210 94 A C 1.424 179.098 177.584 0.150 0.000 1.165 94 A CA 1.077 53.259 52.037 0.242 0.000 0.806 94 A CB -0.356 18.880 19.000 0.393 0.000 0.847 94 A HN 1.243 nan 8.150 nan 0.000 0.482 95 S N -1.280 114.481 115.700 0.102 0.000 2.786 95 S HA 0.514 4.984 4.470 -0.000 0.000 0.302 95 S C 0.846 175.475 174.600 0.048 0.000 1.080 95 S CA 0.280 58.523 58.200 0.071 0.000 0.925 95 S CB 1.044 64.280 63.200 0.060 0.000 1.325 95 S HN 0.604 nan 8.310 nan 0.000 0.576 96 S N -0.451 115.270 115.700 0.035 0.000 2.549 96 S HA 0.082 4.552 4.470 -0.000 0.000 0.225 96 S C 0.981 175.593 174.600 0.021 0.000 1.039 96 S CA 0.425 58.640 58.200 0.025 0.000 0.942 96 S CB -0.487 62.725 63.200 0.020 0.000 0.881 96 S HN 0.758 nan 8.310 nan 0.000 0.503 97 D N 2.089 122.502 120.400 0.021 0.000 2.224 97 D HA 0.006 4.646 4.640 -0.000 0.000 0.205 97 D C 0.639 176.948 176.300 0.014 0.000 0.965 97 D CA 0.252 54.261 54.000 0.015 0.000 0.852 97 D CB -0.546 40.261 40.800 0.012 0.000 0.947 97 D HN 0.396 nan 8.370 nan 0.000 0.494 98 L N 0.912 122.146 121.223 0.019 0.000 2.360 98 L HA 0.434 4.774 4.340 -0.000 0.000 0.276 98 L C 0.295 177.176 176.870 0.018 0.000 1.121 98 L CA -0.632 54.219 54.840 0.018 0.000 0.845 98 L CB 1.060 43.133 42.059 0.024 0.000 1.143 98 L HN 0.043 nan 8.230 nan 0.000 0.452 99 A N 6.219 129.048 122.820 0.015 0.000 2.312 99 A HA 0.710 5.030 4.320 -0.000 0.000 0.326 99 A C -2.428 175.163 177.584 0.012 0.000 1.172 99 A CA -1.743 50.302 52.037 0.014 0.000 0.821 99 A CB 0.694 19.702 19.000 0.012 0.000 1.166 99 A HN 0.425 nan 8.150 nan 0.000 0.493 100 P HA 0.255 nan 4.420 nan 0.000 0.265 100 P C 1.149 178.449 177.300 -0.000 0.000 1.187 100 P CA 2.098 65.201 63.100 0.006 0.000 0.766 100 P CB 0.707 32.409 31.700 0.003 0.000 0.820 101 G N 1.318 110.115 108.800 -0.005 0.000 2.284 101 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.230 101 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.230 101 G C 0.353 175.249 174.900 -0.006 0.000 1.021 101 G CA 0.064 45.156 45.100 -0.014 0.000 0.619 101 G HN 0.634 nan 8.290 nan 0.000 0.510 102 E N 0.739 120.943 120.200 0.008 0.000 2.418 102 E HA 0.464 4.814 4.350 -0.000 0.000 0.261 102 E C 0.540 177.158 176.600 0.029 0.000 1.070 102 E CA -0.348 56.066 56.400 0.023 0.000 0.931 102 E CB 0.192 29.907 29.700 0.025 0.000 0.954 102 E HN 0.408 nan 8.360 nan 0.000 0.439 103 L N 4.337 125.595 121.223 0.057 0.000 2.343 103 L HA 0.472 4.812 4.340 -0.000 0.000 0.275 103 L C -0.085 176.827 176.870 0.070 0.000 1.056 103 L CA -0.710 54.169 54.840 0.065 0.000 0.804 103 L CB 0.984 43.098 42.059 0.092 0.000 1.203 103 L HN 0.524 nan 8.230 nan 0.000 0.440 104 I N 2.147 122.745 120.570 0.048 0.000 2.478 104 I HA 0.271 4.441 4.170 -0.000 0.000 0.287 104 I C -0.736 175.404 176.117 0.038 0.000 1.042 104 I CA -0.670 60.649 61.300 0.033 0.000 1.067 104 I CB 2.373 40.383 38.000 0.017 0.000 1.233 104 I HN 0.172 nan 8.210 nan 0.000 0.431 105 V N 5.746 125.672 119.914 0.021 0.000 2.348 105 V HA 0.388 4.508 4.120 -0.000 0.000 0.270 105 V C 0.724 176.901 176.094 0.138 0.000 1.037 105 V CA -0.620 61.709 62.300 0.048 0.000 0.872 105 V CB 1.252 33.023 31.823 -0.087 0.000 1.002 105 V HN 0.821 nan 8.190 nan 0.000 0.464 106 A N 4.068 127.004 122.820 0.194 0.000 2.438 106 A HA 0.174 4.494 4.320 -0.000 0.000 0.280 106 A C 1.127 178.802 177.584 0.151 0.000 1.160 106 A CA -0.006 52.150 52.037 0.199 0.000 0.821 106 A CB 0.147 19.321 19.000 0.290 0.000 1.101 106 A HN 0.946 nan 8.150 nan 0.000 0.515 107 Q N 2.509 122.297 119.800 -0.019 0.000 2.331 107 Q HA 0.264 4.604 4.340 -0.000 0.000 0.203 107 Q C 0.651 176.394 176.000 -0.429 0.000 0.944 107 Q CA 1.001 56.523 55.803 -0.468 0.000 0.892 107 Q CB 0.167 28.722 28.738 -0.304 0.000 0.983 107 Q HN 0.973 nan 8.270 nan 0.000 0.482 108 G N -0.691 108.031 108.800 -0.130 0.000 2.466 108 G HA2 0.559 4.519 3.960 -0.000 0.000 0.291 108 G HA3 0.559 4.519 3.960 -0.000 0.000 0.291 108 G C -2.030 172.957 174.900 0.144 0.000 1.460 108 G CA -0.260 44.820 45.100 -0.032 0.000 0.791 108 G HN 0.165 nan 8.290 nan 0.000 0.505 109 A N -0.004 122.919 122.820 0.172 0.000 2.385 109 A HA 0.684 5.004 4.320 -0.000 0.000 0.290 109 A C -0.296 177.257 177.584 -0.053 0.000 1.094 109 A CA -0.494 51.558 52.037 0.025 0.000 0.729 109 A CB 1.599 20.575 19.000 -0.039 0.000 1.194 109 A HN 1.530 nan 8.150 nan 0.000 0.442 110 V N 5.206 125.023 119.914 -0.162 0.000 2.458 110 V HA 0.148 4.268 4.120 -0.000 0.000 0.287 110 V C -1.700 174.286 176.094 -0.180 0.000 1.009 110 V CA -0.306 61.871 62.300 -0.204 0.000 1.091 110 V CB 0.665 32.233 31.823 -0.427 0.000 0.960 110 V HN 0.756 nan 8.190 nan 0.000 0.476 111 P HA 0.195 nan 4.420 nan 0.000 0.260 111 P C 0.139 177.408 177.300 -0.050 0.000 1.651 111 P CA 0.050 63.128 63.100 -0.037 0.000 1.139 111 P CB 0.419 32.150 31.700 0.052 0.000 1.756 112 L N 2.103 123.270 121.223 -0.092 0.000 2.741 112 L HA 0.161 4.501 4.340 -0.000 0.000 0.237 112 L C 1.091 177.952 176.870 -0.015 0.000 1.178 112 L CA -0.042 54.763 54.840 -0.058 0.000 0.973 112 L CB -0.181 41.815 42.059 -0.105 0.000 1.255 112 L HN 0.314 nan 8.230 nan 0.000 0.498 113 D N -1.017 119.375 120.400 -0.013 0.000 2.326 113 D HA 0.175 4.815 4.640 -0.000 0.000 0.248 113 D C 0.901 177.207 176.300 0.009 0.000 1.001 113 D CA -0.427 53.573 54.000 -0.000 0.000 0.961 113 D CB 2.215 43.010 40.800 -0.007 0.000 1.183 113 D HN -0.052 nan 8.370 nan 0.000 0.502 114 G N -0.452 108.352 108.800 0.006 0.000 2.777 114 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.211 114 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.211 114 G C 1.205 176.100 174.900 -0.008 0.000 1.149 114 G CA 0.400 45.500 45.100 0.000 0.000 0.785 114 G HN 0.540 nan 8.290 nan 0.000 0.536 115 T N 1.437 115.993 114.554 0.004 0.000 2.701 115 T HA -0.154 4.196 4.350 -0.000 0.000 0.263 115 T C 2.893 177.652 174.700 0.099 0.000 1.040 115 T CA 2.098 64.207 62.100 0.016 0.000 1.147 115 T CB -0.595 68.302 68.868 0.049 0.000 0.865 115 T HN 0.513 nan 8.240 nan 0.000 0.426 116 T N 1.121 115.738 114.554 0.105 0.000 2.788 116 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 116 T C 1.982 176.730 174.700 0.081 0.000 1.044 116 T CA 1.039 63.210 62.100 0.119 0.000 1.139 116 T CB -0.312 68.596 68.868 0.066 0.000 0.867 116 T HN 0.295 nan 8.240 nan 0.000 0.454 117 R N 0.912 121.439 120.500 0.044 0.000 2.096 117 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 117 R C 2.716 179.019 176.300 0.005 0.000 1.127 117 R CA 1.650 57.765 56.100 0.025 0.000 0.968 117 R CB -0.337 29.973 30.300 0.017 0.000 0.861 117 R HN 0.606 nan 8.270 nan 0.000 0.440 118 Q N -0.746 119.037 119.800 -0.028 0.000 2.079 118 Q HA -0.185 4.155 4.340 -0.000 0.000 0.200 118 Q C 1.652 177.598 176.000 -0.090 0.000 0.974 118 Q CA 1.655 57.403 55.803 -0.093 0.000 0.840 118 Q CB -0.102 28.527 28.738 -0.182 0.000 0.898 118 Q HN 0.490 nan 8.270 nan 0.000 0.430 119 Y N -0.067 120.200 120.300 -0.055 0.000 2.242 119 Y HA -0.168 4.382 4.550 -0.000 0.000 0.291 119 Y C 1.802 177.650 175.900 -0.087 0.000 1.137 119 Y CA 0.813 58.871 58.100 -0.071 0.000 1.181 119 Y CB 0.239 38.644 38.460 -0.092 0.000 0.989 119 Y HN 0.120 nan 8.280 nan 0.000 0.527 120 L N -0.221 121.042 121.223 0.066 0.000 2.591 120 L HA -0.021 4.319 4.340 -0.000 0.000 0.228 120 L C 0.327 177.200 176.870 0.006 0.000 1.133 120 L CA 0.559 55.394 54.840 -0.008 0.000 0.880 120 L CB -0.278 41.755 42.059 -0.043 0.000 1.033 120 L HN 0.199 nan 8.230 nan 0.000 0.450 121 E N -0.257 119.947 120.200 0.008 0.000 2.476 121 E HA -0.280 4.070 4.350 -0.000 0.000 0.251 121 E C 1.151 177.756 176.600 0.008 0.000 1.130 121 E CA 0.219 56.620 56.400 0.002 0.000 0.736 121 E CB -1.641 28.061 29.700 0.003 0.000 1.298 121 E HN 0.660 nan 8.360 nan 0.000 0.400 122 G N -0.094 108.713 108.800 0.012 0.000 2.179 122 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.260 122 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.260 122 G C 0.299 175.218 174.900 0.032 0.000 0.977 122 G CA 0.565 45.677 45.100 0.020 0.000 0.641 122 G HN 0.292 nan 8.290 nan 0.000 0.533 123 R N 0.676 121.197 120.500 0.034 0.000 2.531 123 R HA 0.470 4.810 4.340 -0.000 0.000 0.273 123 R C -2.199 174.149 176.300 0.081 0.000 1.070 123 R CA -1.523 54.607 56.100 0.050 0.000 1.112 123 R CB 0.209 30.537 30.300 0.046 0.000 1.049 123 R HN 0.113 nan 8.270 nan 0.000 0.508 124 P HA 0.014 nan 4.420 nan 0.000 0.269 124 P C -1.442 175.985 177.300 0.212 0.000 1.215 124 P CA 0.200 63.370 63.100 0.117 0.000 0.780 124 P CB 0.359 32.108 31.700 0.081 0.000 0.898 125 Y N 0.003 120.314 120.300 0.018 0.000 2.641 125 Y HA 0.536 5.086 4.550 -0.000 0.000 0.333 125 Y C -1.599 174.307 175.900 0.011 0.000 1.174 125 Y CA -1.090 57.019 58.100 0.014 0.000 1.057 125 Y CB 1.256 39.727 38.460 0.019 0.000 1.322 125 Y HN 0.404 nan 8.280 nan 0.000 0.457 126 A N 4.900 127.297 122.820 -0.705 0.000 2.664 126 A HA 0.627 4.947 4.320 -0.000 0.000 0.338 126 A C -3.000 174.240 177.584 -0.574 0.000 1.280 126 A CA -1.701 50.060 52.037 -0.461 0.000 0.809 126 A CB -0.110 18.681 19.000 -0.349 0.000 1.114 126 A HN 0.381 nan 8.150 nan 0.000 0.479 127 P HA 0.267 nan 4.420 nan 0.000 0.265 127 P C -0.252 177.092 177.300 0.073 0.000 1.222 127 P CA 0.299 63.490 63.100 0.153 0.000 0.767 127 P CB 0.871 32.774 31.700 0.338 0.000 0.801 128 V N 2.220 122.036 119.914 -0.163 0.000 3.007 128 V HA 0.772 4.892 4.120 -0.000 0.000 0.311 128 V C -2.570 172.938 176.094 -0.975 0.000 1.120 128 V CA -2.924 59.031 62.300 -0.576 0.000 0.980 128 V CB 2.389 33.959 31.823 -0.421 0.000 1.033 128 V HN 0.268 nan 8.190 nan 0.000 0.429 129 P HA 0.223 nan 4.420 nan 0.000 0.279 129 P C -0.804 176.270 177.300 -0.376 0.000 1.282 129 P CA -0.040 62.466 63.100 -0.990 0.000 0.788 129 P CB 0.711 31.954 31.700 -0.761 0.000 1.139 130 D N 0.297 120.607 120.400 -0.149 0.000 2.425 130 D HA 0.025 4.665 4.640 -0.000 0.000 0.247 130 D C -1.076 175.220 176.300 -0.006 0.000 1.147 130 D CA -1.561 52.408 54.000 -0.052 0.000 0.879 130 D CB 0.403 41.207 40.800 0.007 0.000 1.179 130 D HN 0.131 nan 8.370 nan 0.000 0.456 131 P HA -0.200 nan 4.420 nan 0.000 0.215 131 P C 0.763 178.157 177.300 0.157 0.000 1.153 131 P CA 1.155 64.309 63.100 0.089 0.000 0.853 131 P CB 0.259 31.986 31.700 0.046 0.000 0.788 132 E N -0.209 120.044 120.200 0.088 0.000 2.106 132 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 132 E C 2.264 178.913 176.600 0.081 0.000 0.984 132 E CA 0.768 57.212 56.400 0.073 0.000 0.806 132 E CB -0.962 28.763 29.700 0.042 0.000 0.750 132 E HN 0.138 nan 8.360 nan 0.000 0.458 133 V N 1.430 121.399 119.914 0.091 0.000 2.307 133 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 133 V C 2.182 178.357 176.094 0.134 0.000 1.045 133 V CA 1.732 64.088 62.300 0.092 0.000 1.024 133 V CB -0.643 31.233 31.823 0.088 0.000 0.651 133 V HN 0.148 nan 8.190 nan 0.000 0.449 134 F N 1.456 121.414 119.950 0.014 0.000 2.095 134 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 134 F C 2.609 178.487 175.800 0.130 0.000 1.104 134 F CA 2.339 60.362 58.000 0.038 0.000 1.232 134 F CB -0.437 38.557 39.000 -0.010 0.000 0.987 134 F HN -0.056 nan 8.300 nan 0.000 0.475 135 R N 0.320 120.834 120.500 0.025 0.000 2.073 135 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 135 R C 2.387 178.649 176.300 -0.062 0.000 1.134 135 R CA 1.355 57.416 56.100 -0.065 0.000 0.952 135 R CB -0.733 29.585 30.300 0.031 0.000 0.850 135 R HN 0.404 nan 8.270 nan 0.000 0.433 136 A N 1.019 123.828 122.820 -0.017 0.000 1.933 136 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 136 A C 2.197 179.770 177.584 -0.019 0.000 1.175 136 A CA 1.177 53.204 52.037 -0.017 0.000 0.628 136 A CB -0.486 18.518 19.000 0.005 0.000 0.814 136 A HN 0.340 nan 8.150 nan 0.000 0.444 137 L N -2.230 118.983 121.223 -0.016 0.000 2.056 137 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 137 L C 2.603 179.463 176.870 -0.017 0.000 1.078 137 L CA 1.301 56.130 54.840 -0.018 0.000 0.749 137 L CB -0.481 41.576 42.059 -0.002 0.000 0.901 137 L HN 0.726 nan 8.230 nan 0.000 0.433 138 W N 1.602 122.719 121.300 -0.305 0.000 2.354 138 W HA -0.174 4.486 4.660 -0.000 0.000 0.315 138 W C 2.712 179.090 176.519 -0.237 0.000 1.206 138 W CA 1.441 58.597 57.345 -0.315 0.000 1.290 138 W CB -0.567 28.626 29.460 -0.445 0.000 1.152 138 W HN 0.016 nan 8.180 nan 0.000 0.489 139 R N -0.381 120.112 120.500 -0.013 0.000 2.083 139 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 139 R C 2.314 178.569 176.300 -0.075 0.000 1.137 139 R CA 1.769 57.804 56.100 -0.108 0.000 0.951 139 R CB -0.479 29.750 30.300 -0.118 0.000 0.851 139 R HN -0.069 nan 8.270 nan 0.000 0.434 140 R N 0.290 120.755 120.500 -0.058 0.000 2.096 140 R HA -0.049 4.291 4.340 -0.000 0.000 0.235 140 R C 2.176 178.413 176.300 -0.105 0.000 1.127 140 R CA 1.504 57.566 56.100 -0.064 0.000 0.968 140 R CB -0.891 29.388 30.300 -0.034 0.000 0.861 140 R HN 0.278 nan 8.270 nan 0.000 0.440 141 A N 1.250 123.988 122.820 -0.136 0.000 1.940 141 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 141 A C 2.073 179.509 177.584 -0.246 0.000 1.176 141 A CA 1.598 53.486 52.037 -0.248 0.000 0.631 141 A CB -0.330 18.322 19.000 -0.581 0.000 0.814 141 A HN 0.394 nan 8.150 nan 0.000 0.446 142 E N -0.406 119.703 120.200 -0.152 0.000 2.028 142 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 142 E C 2.354 178.913 176.600 -0.067 0.000 0.988 142 E CA 0.877 57.269 56.400 -0.013 0.000 0.799 142 E CB -0.312 29.403 29.700 0.024 0.000 0.755 142 E HN 0.594 nan 8.360 nan 0.000 0.447 143 A N 1.059 123.821 122.820 -0.096 0.000 1.978 143 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 143 A C 2.069 179.557 177.584 -0.160 0.000 1.170 143 A CA 1.154 53.130 52.037 -0.102 0.000 0.636 143 A CB -0.491 18.459 19.000 -0.084 0.000 0.810 143 A HN 0.152 nan 8.150 nan 0.000 0.448 144 L N -1.538 119.519 121.223 -0.277 0.000 2.529 144 L HA 0.207 4.547 4.340 -0.000 0.000 0.223 144 L C 1.573 178.089 176.870 -0.590 0.000 1.113 144 L CA 0.418 54.937 54.840 -0.535 0.000 0.861 144 L CB -0.313 41.197 42.059 -0.915 0.000 1.012 144 L HN 0.547 nan 8.230 nan 0.000 0.461 145 G N 0.065 108.693 108.800 -0.287 0.000 2.221 145 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.265 145 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.265 145 G C -0.110 174.829 174.900 0.064 0.000 1.041 145 G CA -0.213 44.839 45.100 -0.080 0.000 0.807 145 G HN 0.413 nan 8.290 nan 0.000 0.502 146 Y N 0.710 121.067 120.300 0.096 0.000 2.326 146 Y HA 0.376 4.926 4.550 -0.000 0.000 0.337 146 Y C -1.329 174.710 175.900 0.232 0.000 1.023 146 Y CA -2.497 55.671 58.100 0.113 0.000 1.143 146 Y CB 1.409 39.909 38.460 0.066 0.000 1.183 146 Y HN 0.073 nan 8.280 nan 0.000 0.485 147 P HA -0.056 nan 4.420 nan 0.000 0.262 147 P C -0.982 176.495 177.300 0.296 0.000 1.182 147 P CA 0.935 64.187 63.100 0.253 0.000 0.761 147 P CB 0.611 32.391 31.700 0.134 0.000 0.795 148 H N 1.301 120.413 119.070 0.070 0.000 2.990 148 H HA 0.577 5.133 4.556 -0.000 0.000 0.336 148 H C -0.760 174.563 175.328 -0.010 0.000 1.306 148 H CA -1.048 55.019 56.048 0.032 0.000 1.118 148 H CB 1.149 30.933 29.762 0.035 0.000 1.856 148 H HN 0.254 nan 8.280 nan 0.000 0.538 149 R N 0.624 121.116 120.500 -0.013 0.000 2.750 149 R HA 0.604 4.944 4.340 -0.000 0.000 0.281 149 R C -1.007 175.227 176.300 -0.110 0.000 0.972 149 R CA -1.133 54.908 56.100 -0.097 0.000 0.912 149 R CB 2.739 33.009 30.300 -0.050 0.000 1.187 149 R HN 0.432 nan 8.270 nan 0.000 0.464 150 V N 1.176 120.968 119.914 -0.203 0.000 2.487 150 V HA 0.857 4.977 4.120 -0.000 0.000 0.298 150 V C 0.424 176.432 176.094 -0.144 0.000 1.028 150 V CA -0.277 61.856 62.300 -0.278 0.000 0.860 150 V CB 1.571 32.934 31.823 -0.765 0.000 0.991 150 V HN 1.030 nan 8.190 nan 0.000 0.427 151 G N 3.538 112.302 108.800 -0.060 0.000 2.336 151 G HA2 0.305 4.265 3.960 -0.000 0.000 0.286 151 G HA3 0.305 4.265 3.960 -0.000 0.000 0.286 151 G C -1.602 173.276 174.900 -0.037 0.000 1.269 151 G CA -1.012 44.060 45.100 -0.047 0.000 0.873 151 G HN 0.559 nan 8.290 nan 0.000 0.494 152 L N 0.712 121.907 121.223 -0.046 0.000 2.397 152 L HA 0.590 4.930 4.340 -0.000 0.000 0.271 152 L C 0.810 177.621 176.870 -0.097 0.000 1.148 152 L CA -0.658 54.145 54.840 -0.062 0.000 0.825 152 L CB 1.197 43.219 42.059 -0.061 0.000 1.117 152 L HN 0.697 nan 8.230 nan 0.000 0.456 153 V N 0.010 119.847 119.914 -0.129 0.000 3.126 153 V HA 0.956 5.076 4.120 -0.000 0.000 0.314 153 V C -0.478 175.415 176.094 -0.335 0.000 1.138 153 V CA -0.830 61.342 62.300 -0.214 0.000 1.034 153 V CB 1.841 33.582 31.823 -0.136 0.000 1.075 153 V HN 0.791 nan 8.190 nan 0.000 0.442 154 A N 1.200 123.697 122.820 -0.538 0.000 2.330 154 A HA 0.810 5.130 4.320 -0.000 0.000 0.313 154 A C -0.083 177.273 177.584 -0.381 0.000 1.124 154 A CA -0.479 51.177 52.037 -0.635 0.000 0.774 154 A CB 1.283 19.539 19.000 -1.240 0.000 1.198 154 A HN 1.017 nan 8.150 nan 0.000 0.465 155 S N 2.096 117.644 115.700 -0.254 0.000 2.422 155 S HA 0.441 4.911 4.470 -0.000 0.000 0.298 155 S C -0.059 174.490 174.600 -0.085 0.000 1.118 155 S CA -0.527 57.589 58.200 -0.140 0.000 1.083 155 S CB 0.463 63.579 63.200 -0.141 0.000 0.971 155 S HN 0.799 nan 8.310 nan 0.000 0.478 156 E N 1.986 122.183 120.200 -0.004 0.000 2.299 156 E HA 0.535 4.885 4.350 -0.000 0.000 0.260 156 E C -0.780 175.839 176.600 0.031 0.000 0.944 156 E CA -0.887 55.530 56.400 0.028 0.000 0.815 156 E CB 0.953 30.710 29.700 0.096 0.000 1.252 156 E HN 0.177 nan 8.360 nan 0.000 0.418 157 D N 0.268 120.686 120.400 0.031 0.000 2.490 157 D HA 0.135 4.775 4.640 -0.000 0.000 0.244 157 D C 0.147 176.481 176.300 0.056 0.000 0.979 157 D CA 0.705 54.726 54.000 0.035 0.000 0.924 157 D CB 0.276 41.091 40.800 0.025 0.000 1.075 157 D HN 0.508 nan 8.370 nan 0.000 0.488 158 A N 0.778 123.627 122.820 0.049 0.000 2.798 158 A HA 0.210 4.530 4.320 -0.000 0.000 0.316 158 A C 0.637 178.240 177.584 0.033 0.000 1.506 158 A CA -0.485 51.590 52.037 0.063 0.000 1.162 158 A CB -0.855 18.174 19.000 0.048 0.000 1.138 158 A HN 0.079 nan 8.150 nan 0.000 0.532 159 F N 2.158 122.046 119.950 -0.105 0.000 2.063 159 F HA -0.277 4.250 4.527 -0.000 0.000 0.298 159 F C 1.261 176.848 175.800 -0.354 0.000 1.109 159 F CA 2.304 60.144 58.000 -0.266 0.000 1.212 159 F CB -0.168 38.597 39.000 -0.392 0.000 0.973 159 F HN 0.667 nan 8.300 nan 0.000 0.480 160 Y N -0.674 119.660 120.300 0.058 0.000 2.471 160 Y HA 0.276 4.825 4.550 -0.000 0.000 0.286 160 Y C 1.896 177.747 175.900 -0.082 0.000 1.188 160 Y CA 0.115 58.191 58.100 -0.039 0.000 1.286 160 Y CB -0.473 38.036 38.460 0.081 0.000 1.072 160 Y HN 0.168 nan 8.280 nan 0.000 0.517 161 A N -0.804 122.014 122.820 -0.004 0.000 1.956 161 A HA 0.034 4.354 4.320 -0.000 0.000 0.212 161 A C 1.289 178.825 177.584 -0.080 0.000 1.188 161 A CA 0.344 52.373 52.037 -0.013 0.000 0.675 161 A CB -0.502 18.501 19.000 0.005 0.000 0.845 161 A HN 0.146 nan 8.150 nan 0.000 0.455 162 T N 2.388 116.829 114.554 -0.187 0.000 2.902 162 T HA 0.373 4.723 4.350 -0.000 0.000 0.301 162 T C 0.446 175.007 174.700 -0.231 0.000 1.012 162 T CA 0.755 62.700 62.100 -0.258 0.000 1.151 162 T CB 0.387 68.940 68.868 -0.526 0.000 0.946 162 T HN 0.567 nan 8.240 nan 0.000 0.542 163 T N 1.399 115.862 114.554 -0.152 0.000 2.925 163 T HA 0.416 4.766 4.350 -0.000 0.000 0.285 163 T C -2.062 172.573 174.700 -0.109 0.000 1.021 163 T CA -2.363 59.671 62.100 -0.110 0.000 1.042 163 T CB 1.625 70.460 68.868 -0.056 0.000 1.037 163 T HN 0.078 nan 8.240 nan 0.000 0.481 164 P HA -0.135 nan 4.420 nan 0.000 0.216 164 P C 1.397 178.686 177.300 -0.017 0.000 1.150 164 P CA 1.071 64.138 63.100 -0.055 0.000 0.843 164 P CB 0.153 31.831 31.700 -0.036 0.000 0.787 165 E N 0.098 120.289 120.200 -0.016 0.000 2.110 165 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 165 E C 1.702 178.310 176.600 0.014 0.000 0.988 165 E CA 1.137 57.537 56.400 -0.001 0.000 0.804 165 E CB -0.202 29.492 29.700 -0.009 0.000 0.745 165 E HN 0.309 nan 8.360 nan 0.000 0.458 166 E N 0.074 120.281 120.200 0.012 0.000 2.107 166 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 166 E C 2.039 178.758 176.600 0.199 0.000 0.982 166 E CA 0.675 57.112 56.400 0.061 0.000 0.809 166 E CB -0.057 29.684 29.700 0.068 0.000 0.756 166 E HN 0.338 nan 8.360 nan 0.000 0.459 167 A N 1.739 124.631 122.820 0.119 0.000 1.902 167 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 167 A C 2.089 179.856 177.584 0.305 0.000 1.181 167 A CA 1.195 53.375 52.037 0.239 0.000 0.623 167 A CB -0.351 18.656 19.000 0.012 0.000 0.818 167 A HN 0.058 nan 8.150 nan 0.000 0.443 168 R N -0.632 119.964 120.500 0.160 0.000 2.081 168 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 168 R C 2.512 178.900 176.300 0.147 0.000 1.131 168 R CA 1.189 57.368 56.100 0.132 0.000 0.960 168 R CB -0.483 29.858 30.300 0.069 0.000 0.856 168 R HN 0.527 nan 8.270 nan 0.000 0.436 169 A N 0.351 123.240 122.820 0.114 0.000 1.883 169 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 169 A C 1.853 179.539 177.584 0.171 0.000 1.186 169 A CA 1.204 53.283 52.037 0.069 0.000 0.624 169 A CB -0.938 18.016 19.000 -0.076 0.000 0.822 169 A HN 0.473 nan 8.150 nan 0.000 0.444 170 W N -0.385 121.046 121.300 0.219 0.000 2.363 170 W HA -0.072 4.588 4.660 -0.000 0.000 0.296 170 W C 2.741 179.383 176.519 0.206 0.000 1.212 170 W CA 1.233 58.708 57.345 0.217 0.000 1.260 170 W CB -0.051 29.547 29.460 0.229 0.000 1.131 170 W HN 0.412 nan 8.180 nan 0.000 0.530 171 A N 0.380 123.436 122.820 0.393 0.000 1.978 171 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 171 A C 1.839 179.523 177.584 0.167 0.000 1.170 171 A CA 1.343 53.521 52.037 0.234 0.000 0.636 171 A CB -0.639 18.464 19.000 0.173 0.000 0.810 171 A HN 0.309 nan 8.150 nan 0.000 0.448 172 R N -2.206 118.386 120.500 0.154 0.000 2.339 172 R HA -0.029 4.311 4.340 -0.000 0.000 0.199 172 R C 0.244 176.452 176.300 -0.152 0.000 1.018 172 R CA 0.769 56.863 56.100 -0.010 0.000 1.036 172 R CB -0.183 30.077 30.300 -0.066 0.000 0.899 172 R HN 0.717 nan 8.270 nan 0.000 0.473 173 Y N -1.231 119.118 120.300 0.082 0.000 2.531 173 Y HA 0.235 4.785 4.550 -0.000 0.000 0.249 173 Y C 1.437 177.400 175.900 0.104 0.000 1.168 173 Y CA 0.277 58.436 58.100 0.098 0.000 1.226 173 Y CB 1.502 40.056 38.460 0.156 0.000 1.177 173 Y HN 0.202 nan 8.280 nan 0.000 0.527 174 G N -0.294 108.607 108.800 0.169 0.000 2.195 174 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.224 174 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.224 174 G C -0.150 174.792 174.900 0.070 0.000 0.990 174 G CA -0.029 45.129 45.100 0.097 0.000 0.639 174 G HN 0.028 nan 8.290 nan 0.000 0.514 175 V N 2.574 122.552 119.914 0.107 0.000 2.446 175 V HA 0.277 4.397 4.120 -0.000 0.000 0.276 175 V C 1.923 178.003 176.094 -0.023 0.000 1.030 175 V CA 0.518 62.799 62.300 -0.031 0.000 1.033 175 V CB 1.051 32.796 31.823 -0.129 0.000 0.993 175 V HN 0.340 nan 8.190 nan 0.000 0.477 176 L N 4.215 125.403 121.223 -0.058 0.000 2.162 176 L HA 0.349 4.689 4.340 -0.000 0.000 0.205 176 L C 1.000 177.864 176.870 -0.011 0.000 1.086 176 L CA 1.253 56.081 54.840 -0.019 0.000 0.778 176 L CB -0.117 41.928 42.059 -0.024 0.000 0.928 176 L HN 0.797 nan 8.230 nan 0.000 0.446 177 A N -1.573 121.195 122.820 -0.086 0.000 2.540 177 A HA 0.633 4.953 4.320 -0.000 0.000 0.291 177 A C -1.884 175.590 177.584 -0.183 0.000 1.083 177 A CA -0.556 51.472 52.037 -0.015 0.000 0.650 177 A CB 0.639 19.654 19.000 0.025 0.000 1.292 177 A HN -0.098 nan 8.150 nan 0.000 0.435 178 F N 0.622 120.530 119.950 -0.070 0.000 2.480 178 F HA 0.649 5.176 4.527 -0.000 0.000 0.329 178 F C 0.567 176.329 175.800 -0.064 0.000 1.091 178 F CA 0.078 58.017 58.000 -0.100 0.000 0.972 178 F CB 2.241 41.163 39.000 -0.131 0.000 1.150 178 F HN 0.825 nan 8.300 nan 0.000 0.467 179 E N 0.763 121.004 120.200 0.069 0.000 2.460 179 E HA 0.603 4.953 4.350 -0.000 0.000 0.277 179 E C -1.185 175.429 176.600 0.022 0.000 1.010 179 E CA -0.825 55.600 56.400 0.041 0.000 0.838 179 E CB 1.579 31.266 29.700 -0.022 0.000 1.448 179 E HN 0.504 nan 8.360 nan 0.000 0.462 180 M N 0.093 119.694 119.600 0.001 0.000 2.705 180 M HA 0.380 4.860 4.480 -0.000 0.000 0.387 180 M C -0.539 175.729 176.300 -0.053 0.000 1.204 180 M CA 0.128 55.421 55.300 -0.011 0.000 0.905 180 M CB 0.641 33.254 32.600 0.021 0.000 1.394 180 M HN 0.568 nan 8.290 nan 0.000 0.515 181 E N -0.115 120.028 120.200 -0.095 0.000 2.614 181 E HA 0.301 4.651 4.350 -0.000 0.000 0.201 181 E C 1.775 178.243 176.600 -0.220 0.000 0.889 181 E CA 0.612 56.938 56.400 -0.123 0.000 1.564 181 E CB -0.003 29.638 29.700 -0.099 0.000 1.623 181 E HN 0.309 nan 8.360 nan 0.000 0.898 182 A N 1.464 124.094 122.820 -0.318 0.000 1.884 182 A HA -0.312 4.008 4.320 -0.000 0.000 0.219 182 A C 2.285 179.418 177.584 -0.753 0.000 1.197 182 A CA 2.919 54.559 52.037 -0.662 0.000 0.637 182 A CB -1.253 17.346 19.000 -0.669 0.000 0.827 182 A HN 0.337 nan 8.150 nan 0.000 0.450 183 S N 0.419 115.885 115.700 -0.389 0.000 2.368 183 S HA -0.180 4.290 4.470 -0.000 0.000 0.226 183 S C 2.123 176.670 174.600 -0.088 0.000 1.044 183 S CA 2.184 60.284 58.200 -0.167 0.000 1.062 183 S CB -1.081 62.079 63.200 -0.067 0.000 0.931 183 S HN 1.251 nan 8.310 nan 0.000 0.440 184 A N 1.609 124.373 122.820 -0.094 0.000 1.933 184 A HA 0.118 4.438 4.320 -0.000 0.000 0.218 184 A C 2.270 179.811 177.584 -0.072 0.000 1.175 184 A CA 1.529 53.538 52.037 -0.047 0.000 0.628 184 A CB -0.849 18.146 19.000 -0.008 0.000 0.814 184 A HN 0.595 nan 8.150 nan 0.000 0.444 185 L N -0.859 120.286 121.223 -0.130 0.000 2.017 185 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 185 L C 2.260 179.184 176.870 0.090 0.000 1.073 185 L CA 1.899 56.694 54.840 -0.074 0.000 0.745 185 L CB -0.806 41.162 42.059 -0.153 0.000 0.894 185 L HN 0.462 nan 8.230 nan 0.000 0.432 186 F N -1.357 118.592 119.950 -0.001 0.000 2.102 186 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 186 F C 2.374 178.199 175.800 0.042 0.000 1.105 186 F CA 0.703 58.715 58.000 0.019 0.000 1.239 186 F CB -0.372 38.642 39.000 0.023 0.000 0.991 186 F HN 0.252 nan 8.300 nan 0.000 0.474 187 L N 0.824 122.185 121.223 0.231 0.000 1.994 187 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 187 L C 2.056 178.881 176.870 -0.075 0.000 1.071 187 L CA 1.711 56.589 54.840 0.064 0.000 0.745 187 L CB -0.904 41.093 42.059 -0.103 0.000 0.892 187 L HN 0.091 nan 8.230 nan 0.000 0.431 188 L N -0.581 120.567 121.223 -0.125 0.000 2.131 188 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 188 L C 2.521 179.352 176.870 -0.064 0.000 1.092 188 L CA 1.110 55.845 54.840 -0.175 0.000 0.759 188 L CB -1.379 40.576 42.059 -0.173 0.000 0.903 188 L HN 0.515 nan 8.230 nan 0.000 0.435 189 G N -0.224 108.587 108.800 0.019 0.000 2.446 189 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 189 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 189 G C 1.742 176.655 174.900 0.022 0.000 1.168 189 G CA 0.394 45.519 45.100 0.042 0.000 0.771 189 G HN 0.165 nan 8.290 nan 0.000 0.551 190 R N -0.223 120.298 120.500 0.035 0.000 2.073 190 R HA 0.190 4.530 4.340 -0.000 0.000 0.229 190 R C 2.712 179.008 176.300 -0.008 0.000 1.120 190 R CA 0.761 56.880 56.100 0.032 0.000 0.967 190 R CB -0.803 29.554 30.300 0.096 0.000 0.862 190 R HN 0.422 nan 8.270 nan 0.000 0.436 191 M N 0.337 119.904 119.600 -0.055 0.000 2.117 191 M HA -0.118 4.362 4.480 -0.000 0.000 0.262 191 M C 1.418 177.681 176.300 -0.062 0.000 1.065 191 M CA 1.575 56.823 55.300 -0.088 0.000 1.114 191 M CB -0.023 32.468 32.600 -0.182 0.000 1.361 191 M HN -0.125 nan 8.290 nan 0.000 0.408 192 R N -0.097 120.369 120.500 -0.057 0.000 2.334 192 R HA 0.244 4.584 4.340 -0.000 0.000 0.216 192 R C 0.791 177.081 176.300 -0.016 0.000 0.905 192 R CA 0.459 56.537 56.100 -0.036 0.000 1.064 192 R CB -0.541 29.736 30.300 -0.039 0.000 1.046 192 R HN 0.534 nan 8.270 nan 0.000 0.508 193 G N 1.498 110.292 108.800 -0.010 0.000 2.272 193 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.280 193 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.280 193 G C 0.165 175.068 174.900 0.005 0.000 1.067 193 G CA 0.559 45.659 45.100 -0.000 0.000 0.902 193 G HN 0.288 nan 8.290 nan 0.000 0.500 194 V N -4.150 115.769 119.914 0.009 0.000 3.113 194 V HA 0.905 5.025 4.120 -0.000 0.000 0.316 194 V C 0.270 176.379 176.094 0.026 0.000 1.125 194 V CA -2.018 60.292 62.300 0.016 0.000 1.026 194 V CB 1.655 33.488 31.823 0.017 0.000 1.080 194 V HN 0.340 nan 8.190 nan 0.000 0.444 195 R N 1.423 121.941 120.500 0.031 0.000 2.265 195 R HA 0.674 5.014 4.340 -0.000 0.000 0.319 195 R C -0.140 176.196 176.300 0.061 0.000 1.006 195 R CA -0.023 56.100 56.100 0.039 0.000 0.880 195 R CB 1.546 31.867 30.300 0.035 0.000 1.077 195 R HN 1.057 nan 8.270 nan 0.000 0.454 196 T N -1.040 113.562 114.554 0.081 0.000 2.930 196 T HA 0.865 5.215 4.350 -0.000 0.000 0.290 196 T C 0.119 174.922 174.700 0.171 0.000 1.052 196 T CA -0.874 61.314 62.100 0.146 0.000 1.017 196 T CB 2.404 71.412 68.868 0.233 0.000 1.137 196 T HN 0.647 nan 8.240 nan 0.000 0.511 197 G N -0.803 108.156 108.800 0.264 0.000 2.608 197 G HA2 0.799 4.759 3.960 -0.000 0.000 0.291 197 G HA3 0.799 4.759 3.960 -0.000 0.000 0.291 197 G C -1.786 173.328 174.900 0.357 0.000 1.425 197 G CA -0.533 44.748 45.100 0.302 0.000 0.787 197 G HN 1.350 nan 8.290 nan 0.000 0.484 198 A N -0.290 122.734 122.820 0.340 0.000 2.540 198 A HA 0.754 5.074 4.320 -0.000 0.000 0.297 198 A C -1.554 176.125 177.584 0.160 0.000 1.056 198 A CA -0.407 51.757 52.037 0.212 0.000 0.700 198 A CB 1.391 20.488 19.000 0.163 0.000 1.280 198 A HN 1.505 nan 8.150 nan 0.000 0.398 199 I N 3.054 123.675 120.570 0.086 0.000 2.582 199 I HA 0.627 4.797 4.170 -0.000 0.000 0.292 199 I C -1.638 174.500 176.117 0.035 0.000 1.066 199 I CA -0.984 60.352 61.300 0.061 0.000 1.053 199 I CB 1.308 39.333 38.000 0.041 0.000 1.241 199 I HN 0.539 nan 8.210 nan 0.000 0.421 200 L N 6.279 127.519 121.223 0.029 0.000 2.323 200 L HA 0.754 5.094 4.340 -0.000 0.000 0.265 200 L C -0.201 176.677 176.870 0.014 0.000 1.012 200 L CA -0.832 54.017 54.840 0.015 0.000 0.820 200 L CB 1.513 43.578 42.059 0.009 0.000 1.334 200 L HN 0.689 nan 8.230 nan 0.000 0.427 201 A N 1.406 124.229 122.820 0.005 0.000 2.310 201 A HA 0.606 4.926 4.320 -0.000 0.000 0.304 201 A C -0.415 177.170 177.584 0.002 0.000 1.231 201 A CA -0.515 51.522 52.037 -0.000 0.000 0.799 201 A CB 0.912 19.903 19.000 -0.016 0.000 1.162 201 A HN 0.383 nan 8.150 nan 0.000 0.486 202 V N 3.187 123.106 119.914 0.009 0.000 2.557 202 V HA 0.055 4.175 4.120 -0.000 0.000 0.301 202 V C 1.437 177.535 176.094 0.007 0.000 1.026 202 V CA 1.459 63.768 62.300 0.015 0.000 1.137 202 V CB 0.641 32.475 31.823 0.019 0.000 0.917 202 V HN 1.120 nan 8.190 nan 0.000 0.484 203 S N 2.500 118.208 115.700 0.013 0.000 2.559 203 S HA 0.262 4.732 4.470 -0.000 0.000 0.226 203 S C 0.250 174.859 174.600 0.015 0.000 1.000 203 S CA 0.098 58.301 58.200 0.005 0.000 0.948 203 S CB -0.166 63.034 63.200 -0.000 0.000 0.870 203 S HN 1.070 nan 8.310 nan 0.000 0.497 204 N N 0.011 118.726 118.700 0.024 0.000 3.608 204 N HA 0.238 4.978 4.740 -0.000 0.000 0.252 204 N C -1.582 173.943 175.510 0.026 0.000 1.392 204 N CA -1.031 52.033 53.050 0.025 0.000 0.822 204 N CB 0.645 39.152 38.487 0.034 0.000 1.508 204 N HN 0.144 nan 8.380 nan 0.000 0.434 205 R N 0.305 120.816 120.500 0.017 0.000 2.562 205 R HA 0.574 4.914 4.340 -0.000 0.000 0.298 205 R C -0.533 175.757 176.300 -0.015 0.000 0.961 205 R CA -0.871 55.237 56.100 0.013 0.000 0.881 205 R CB 0.934 31.242 30.300 0.013 0.000 1.159 205 R HN 0.632 nan 8.270 nan 0.000 0.450 206 I N 4.322 124.869 120.570 -0.039 0.000 2.828 206 I HA -0.065 4.105 4.170 -0.000 0.000 0.292 206 I C 1.165 177.224 176.117 -0.097 0.000 1.206 206 I CA 1.849 63.075 61.300 -0.124 0.000 1.420 206 I CB 0.658 38.535 38.000 -0.206 0.000 1.368 206 I HN 1.130 nan 8.210 nan 0.000 0.556 207 G N 4.601 113.340 108.800 -0.102 0.000 2.380 207 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.197 207 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.197 207 G C -0.045 174.846 174.900 -0.015 0.000 1.001 207 G CA -0.643 44.423 45.100 -0.056 0.000 0.668 207 G HN 0.547 nan 8.290 nan 0.000 0.483 208 D N 1.626 122.023 120.400 -0.006 0.000 2.389 208 D HA 0.413 5.053 4.640 -0.000 0.000 0.247 208 D C -1.060 175.270 176.300 0.048 0.000 1.128 208 D CA -0.801 53.211 54.000 0.019 0.000 0.884 208 D CB 1.532 42.344 40.800 0.019 0.000 1.194 208 D HN 0.102 nan 8.370 nan 0.000 0.441 209 P HA -0.011 nan 4.420 nan 0.000 0.223 209 P C -0.071 177.275 177.300 0.077 0.000 1.151 209 P CA 0.923 64.067 63.100 0.072 0.000 0.787 209 P CB 0.619 32.347 31.700 0.046 0.000 0.788 210 E N -2.077 118.157 120.200 0.056 0.000 2.445 210 E HA 0.389 4.739 4.350 -0.000 0.000 0.273 210 E C -0.337 176.286 176.600 0.038 0.000 0.961 210 E CA -0.953 55.475 56.400 0.046 0.000 0.807 210 E CB 1.440 31.156 29.700 0.026 0.000 1.362 210 E HN -0.154 nan 8.360 nan 0.000 0.453 211 L N 0.565 121.803 121.223 0.025 0.000 2.682 211 L HA 0.503 4.843 4.340 -0.000 0.000 0.209 211 L C 0.499 177.372 176.870 0.004 0.000 1.195 211 L CA -0.480 54.369 54.840 0.015 0.000 0.869 211 L CB 0.129 42.187 42.059 -0.002 0.000 1.599 211 L HN 0.556 nan 8.230 nan 0.000 0.518 212 A N -0.628 122.189 122.820 -0.004 0.000 2.264 212 A HA 0.572 4.892 4.320 -0.000 0.000 0.304 212 A C -2.355 175.218 177.584 -0.018 0.000 1.100 212 A CA -1.466 50.566 52.037 -0.008 0.000 0.839 212 A CB -0.289 18.706 19.000 -0.009 0.000 1.121 212 A HN 0.422 nan 8.150 nan 0.000 0.496 213 P HA 0.085 nan 4.420 nan 0.000 0.262 213 P C -1.940 175.340 177.300 -0.033 0.000 1.182 213 P CA -0.541 62.547 63.100 -0.021 0.000 0.761 213 P CB 0.083 31.775 31.700 -0.015 0.000 0.795 214 P HA -0.289 nan 4.420 nan 0.000 0.219 214 P C 1.419 178.680 177.300 -0.065 0.000 1.158 214 P CA 1.533 64.597 63.100 -0.060 0.000 0.895 214 P CB 0.175 31.843 31.700 -0.054 0.000 0.792 215 E N -0.683 119.490 120.200 -0.045 0.000 2.015 215 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 215 E C 1.922 178.499 176.600 -0.039 0.000 0.991 215 E CA 1.088 57.465 56.400 -0.039 0.000 0.802 215 E CB -1.194 28.493 29.700 -0.021 0.000 0.759 215 E HN -0.101 nan 8.360 nan 0.000 0.447 216 V N 0.904 120.800 119.914 -0.030 0.000 2.324 216 V HA -0.249 3.870 4.120 -0.000 0.000 0.250 216 V C 2.430 178.501 176.094 -0.038 0.000 1.060 216 V CA 1.805 64.089 62.300 -0.026 0.000 1.042 216 V CB -0.619 31.194 31.823 -0.017 0.000 0.650 216 V HN 0.300 nan 8.190 nan 0.000 0.450 217 L N -0.224 120.971 121.223 -0.048 0.000 2.131 217 L HA -0.056 4.284 4.340 -0.000 0.000 0.206 217 L C 2.327 179.142 176.870 -0.091 0.000 1.087 217 L CA 1.847 56.650 54.840 -0.061 0.000 0.767 217 L CB -0.781 41.241 42.059 -0.063 0.000 0.917 217 L HN 0.319 nan 8.230 nan 0.000 0.441 218 Q N -0.058 119.677 119.800 -0.108 0.000 2.119 218 Q HA -0.235 4.105 4.340 -0.000 0.000 0.201 218 Q C 2.136 178.079 176.000 -0.096 0.000 0.972 218 Q CA 1.848 57.559 55.803 -0.155 0.000 0.847 218 Q CB -0.186 28.456 28.738 -0.160 0.000 0.903 218 Q HN 0.571 nan 8.270 nan 0.000 0.433 219 E N -0.870 119.295 120.200 -0.059 0.000 2.110 219 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 219 E C 1.759 178.313 176.600 -0.076 0.000 0.988 219 E CA 1.624 57.996 56.400 -0.047 0.000 0.804 219 E CB -0.883 28.790 29.700 -0.045 0.000 0.745 219 E HN 0.436 nan 8.360 nan 0.000 0.458 220 G N -0.033 108.724 108.800 -0.072 0.000 2.418 220 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 220 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 220 G C 1.707 176.574 174.900 -0.055 0.000 1.158 220 G CA 1.006 46.064 45.100 -0.071 0.000 0.771 220 G HN 0.258 nan 8.290 nan 0.000 0.545 221 V N 0.587 120.468 119.914 -0.055 0.000 2.427 221 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 221 V C 2.747 178.895 176.094 0.089 0.000 1.051 221 V CA 1.976 64.257 62.300 -0.033 0.000 1.048 221 V CB -0.442 31.292 31.823 -0.148 0.000 0.666 221 V HN 0.379 nan 8.190 nan 0.000 0.456 222 R N 0.100 120.682 120.500 0.136 0.000 2.075 222 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 222 R C 2.562 178.978 176.300 0.193 0.000 1.126 222 R CA 1.375 57.702 56.100 0.378 0.000 0.963 222 R CB -0.111 30.391 30.300 0.338 0.000 0.858 222 R HN 0.431 nan 8.270 nan 0.000 0.435 223 R N 0.110 120.584 120.500 -0.045 0.000 2.092 223 R HA -0.113 4.227 4.340 -0.000 0.000 0.231 223 R C 2.411 178.699 176.300 -0.021 0.000 1.119 223 R CA 1.710 57.663 56.100 -0.246 0.000 0.970 223 R CB -0.355 29.524 30.300 -0.702 0.000 0.864 223 R HN 0.337 nan 8.270 nan 0.000 0.440 224 M N 0.771 120.363 119.600 -0.013 0.000 2.086 224 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 224 M C 1.890 178.174 176.300 -0.027 0.000 1.067 224 M CA 1.732 57.035 55.300 0.005 0.000 1.116 224 M CB 0.029 32.631 32.600 0.003 0.000 1.348 224 M HN -0.038 nan 8.290 nan 0.000 0.407 225 V N 0.849 120.730 119.914 -0.055 0.000 2.407 225 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 225 V C 2.320 178.172 176.094 -0.404 0.000 1.055 225 V CA 2.328 64.482 62.300 -0.244 0.000 1.049 225 V CB -1.037 30.590 31.823 -0.326 0.000 0.662 225 V HN 0.625 nan 8.190 nan 0.000 0.455 226 E N 0.067 120.129 120.200 -0.229 0.000 2.072 226 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 226 E C 2.191 178.777 176.600 -0.025 0.000 0.985 226 E CA 1.406 57.750 56.400 -0.094 0.000 0.801 226 E CB 0.030 29.873 29.700 0.239 0.000 0.750 226 E HN 0.419 nan 8.360 nan 0.000 0.452 227 V N 1.078 121.018 119.914 0.044 0.000 2.427 227 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 227 V C 2.390 178.464 176.094 -0.033 0.000 1.051 227 V CA 1.703 64.026 62.300 0.038 0.000 1.048 227 V CB -0.565 31.302 31.823 0.072 0.000 0.666 227 V HN 0.430 nan 8.190 nan 0.000 0.456 228 A N -0.357 122.417 122.820 -0.077 0.000 1.930 228 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 228 A C 2.206 179.704 177.584 -0.144 0.000 1.175 228 A CA 1.560 53.542 52.037 -0.090 0.000 0.627 228 A CB -0.444 18.498 19.000 -0.096 0.000 0.815 228 A HN 0.489 nan 8.150 nan 0.000 0.443 229 L N -0.572 120.484 121.223 -0.278 0.000 2.017 229 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 229 L C 2.696 179.458 176.870 -0.180 0.000 1.073 229 L CA 1.309 55.890 54.840 -0.430 0.000 0.745 229 L CB -0.548 40.890 42.059 -1.034 0.000 0.894 229 L HN 0.328 nan 8.230 nan 0.000 0.432 230 E N 0.265 120.428 120.200 -0.063 0.000 2.085 230 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 230 E C 2.267 178.888 176.600 0.034 0.000 0.994 230 E CA 1.508 57.950 56.400 0.070 0.000 0.801 230 E CB -0.303 29.436 29.700 0.064 0.000 0.743 230 E HN 0.494 nan 8.360 nan 0.000 0.453 231 A N 1.370 124.189 122.820 -0.001 0.000 1.902 231 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 231 A C 2.567 180.159 177.584 0.013 0.000 1.181 231 A CA 1.937 53.976 52.037 0.004 0.000 0.623 231 A CB -0.829 18.170 19.000 -0.001 0.000 0.818 231 A HN 0.218 nan 8.150 nan 0.000 0.443 232 V N -2.736 117.180 119.914 0.003 0.000 2.626 232 V HA -0.128 3.992 4.120 -0.000 0.000 0.252 232 V C 2.066 178.181 176.094 0.036 0.000 1.067 232 V CA 1.811 64.120 62.300 0.016 0.000 1.081 232 V CB -0.828 30.995 31.823 0.001 0.000 0.686 232 V HN 0.244 nan 8.190 nan 0.000 0.468 233 L N 0.249 121.506 121.223 0.056 0.000 2.395 233 L HA 0.119 4.459 4.340 -0.000 0.000 0.218 233 L C 2.594 179.495 176.870 0.050 0.000 1.130 233 L CA 1.344 56.230 54.840 0.076 0.000 0.826 233 L CB -0.814 41.324 42.059 0.132 0.000 0.941 233 L HN 0.325 nan 8.230 nan 0.000 0.451 234 E N -0.453 119.770 120.200 0.038 0.000 2.285 234 E HA 0.012 4.362 4.350 -0.000 0.000 0.194 234 E C 0.812 177.424 176.600 0.020 0.000 0.997 234 E CA 0.492 56.906 56.400 0.024 0.000 0.845 234 E CB 0.060 29.769 29.700 0.014 0.000 0.782 234 E HN 0.368 nan 8.360 nan 0.000 0.491 235 V N 0.000 119.929 119.914 0.024 0.000 2.409 235 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 235 V CA 0.000 62.314 62.300 0.023 0.000 1.235 235 V CB 0.000 31.839 31.823 0.027 0.000 1.184 235 V HN 0.000 nan 8.190 nan 0.000 0.556