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_A 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 0.000 174.519 174.600 -0.136 0.000 1.055 2 S CA 0.000 58.045 58.200 -0.258 0.000 1.107 2 S CB 0.000 62.995 63.200 -0.342 0.000 0.593 3 P HA 0.331 nan 4.420 nan 0.000 0.269 3 P C 0.989 178.270 177.300 -0.032 0.000 1.217 3 P CA -0.394 62.691 63.100 -0.024 0.000 0.783 3 P CB 0.327 32.040 31.700 0.021 0.000 0.898 4 I N 0.595 121.151 120.570 -0.023 0.000 2.179 4 I HA -0.282 3.888 4.170 0.000 0.000 0.242 4 I C 1.538 177.529 176.117 -0.211 0.000 1.088 4 I CA 1.701 62.904 61.300 -0.162 0.000 1.357 4 I CB -0.392 37.450 38.000 -0.263 0.000 1.051 4 I HN 0.512 nan 8.210 nan 0.000 0.409 5 H N -0.961 118.177 119.070 0.114 0.000 2.439 5 H HA 0.196 4.752 4.556 0.000 0.000 0.299 5 H C 0.457 175.919 175.328 0.222 0.000 1.033 5 H CA 0.221 56.389 56.048 0.200 0.000 1.348 5 H CB 0.052 29.879 29.762 0.109 0.000 1.449 5 H HN -0.050 nan 8.280 nan 0.000 0.544 6 V N 3.456 123.526 119.914 0.261 0.000 2.258 6 V HA 0.163 4.283 4.120 0.000 0.000 0.258 6 V C 0.128 176.296 176.094 0.122 0.000 1.121 6 V CA -0.316 62.110 62.300 0.210 0.000 0.942 6 V CB 0.202 32.141 31.823 0.193 0.000 1.170 6 V HN 0.325 nan 8.190 nan 0.000 0.487 7 R N 3.405 123.964 120.500 0.098 0.000 3.688 7 R HA 0.518 4.858 4.340 0.000 0.000 0.194 7 R C 0.302 176.598 176.300 -0.007 0.000 1.677 7 R CA 0.130 56.219 56.100 -0.019 0.000 1.351 7 R CB 0.127 30.368 30.300 -0.100 0.000 1.338 7 R HN 0.719 nan 8.270 nan 0.000 0.731 8 A N 1.044 123.825 122.820 -0.066 0.000 2.504 8 A HA 0.654 4.974 4.320 0.000 0.000 0.285 8 A C -1.200 176.199 177.584 -0.309 0.000 1.261 8 A CA -0.845 51.152 52.037 -0.067 0.000 0.741 8 A CB 1.070 20.048 19.000 -0.036 0.000 1.327 8 A HN 0.566 nan 8.150 nan 0.000 0.441 9 H N -0.731 118.288 119.070 -0.084 0.000 2.621 9 H HA 0.467 5.023 4.556 0.000 0.000 0.360 9 H C -2.035 173.229 175.328 -0.107 0.000 1.163 9 H CA -1.573 54.432 56.048 -0.073 0.000 1.194 9 H CB 1.253 30.986 29.762 -0.049 0.000 1.649 9 H HN 0.309 nan 8.280 nan 0.000 0.532 10 P HA -0.211 nan 4.420 nan 0.000 0.217 10 P C 1.515 178.797 177.300 -0.031 0.000 1.158 10 P CA 2.253 65.342 63.100 -0.019 0.000 0.887 10 P CB -0.017 31.685 31.700 0.004 0.000 0.792 11 G N -0.992 107.809 108.800 0.001 0.000 2.535 11 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 11 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 11 G C 1.065 175.944 174.900 -0.035 0.000 1.122 11 G CA 0.682 45.774 45.100 -0.013 0.000 0.769 11 G HN 0.236 nan 8.290 nan 0.000 0.549 12 D N -0.416 119.936 120.400 -0.079 0.000 2.271 12 D HA 0.044 4.684 4.640 0.000 0.000 0.206 12 D C 0.810 176.946 176.300 -0.273 0.000 0.967 12 D CA 0.341 54.251 54.000 -0.149 0.000 0.867 12 D CB 0.628 41.294 40.800 -0.223 0.000 0.960 12 D HN 0.117 nan 8.370 nan 0.000 0.509 13 V N 1.422 121.167 119.914 -0.283 0.000 2.427 13 V HA 0.539 4.659 4.120 0.000 0.000 0.286 13 V C 0.519 176.576 176.094 -0.062 0.000 1.034 13 V CA -1.032 61.131 62.300 -0.228 0.000 0.893 13 V CB 1.455 33.121 31.823 -0.262 0.000 0.982 13 V HN 0.039 nan 8.190 nan 0.000 0.452 14 A N 3.296 126.120 122.820 0.007 0.000 2.280 14 A HA 0.403 4.723 4.320 0.000 0.000 0.268 14 A C 1.004 178.605 177.584 0.029 0.000 1.111 14 A CA -0.166 51.890 52.037 0.032 0.000 0.814 14 A CB 0.225 19.265 19.000 0.066 0.000 1.093 14 A HN 0.915 nan 8.150 nan 0.000 0.498 15 E N -0.332 119.888 120.200 0.032 0.000 2.216 15 E HA -0.058 4.292 4.350 0.000 0.000 0.192 15 E C 0.044 176.668 176.600 0.040 0.000 0.988 15 E CA 0.610 57.028 56.400 0.031 0.000 0.834 15 E CB 0.074 29.790 29.700 0.028 0.000 0.772 15 E HN 0.494 nan 8.360 nan 0.000 0.479 16 R N 1.092 121.621 120.500 0.049 0.000 2.255 16 R HA 0.377 4.717 4.340 0.000 0.000 0.326 16 R C -1.019 175.318 176.300 0.062 0.000 0.986 16 R CA -0.317 55.815 56.100 0.052 0.000 0.847 16 R CB 1.836 32.167 30.300 0.053 0.000 1.111 16 R HN -0.146 nan 8.270 nan 0.000 0.452 17 V N 4.934 124.885 119.914 0.061 0.000 2.709 17 V HA 0.389 4.509 4.120 0.000 0.000 0.308 17 V C -0.239 175.890 176.094 0.059 0.000 1.062 17 V CA -0.888 61.458 62.300 0.077 0.000 0.901 17 V CB 2.214 34.091 31.823 0.090 0.000 1.003 17 V HN 0.600 nan 8.190 nan 0.000 0.425 18 L N 5.009 126.265 121.223 0.056 0.000 2.309 18 L HA 0.578 4.918 4.340 0.000 0.000 0.282 18 L C -0.709 176.194 176.870 0.056 0.000 1.036 18 L CA -0.548 54.311 54.840 0.031 0.000 0.806 18 L CB 1.596 43.650 42.059 -0.009 0.000 1.220 18 L HN 0.474 nan 8.230 nan 0.000 0.429 19 L N 5.637 126.886 121.223 0.043 0.000 2.387 19 L HA 0.380 4.720 4.340 0.000 0.000 0.259 19 L C -2.252 174.636 176.870 0.030 0.000 1.050 19 L CA -1.573 53.294 54.840 0.045 0.000 0.922 19 L CB 1.097 43.177 42.059 0.035 0.000 1.280 19 L HN 0.321 nan 8.230 nan 0.000 0.449 20 P HA 0.169 nan 4.420 nan 0.000 0.281 20 P C 0.504 177.811 177.300 0.012 0.000 1.249 20 P CA -0.314 62.803 63.100 0.029 0.000 0.810 20 P CB 2.156 33.890 31.700 0.056 0.000 1.008 21 G N 1.011 109.803 108.800 -0.013 0.000 2.453 21 G HA2 -0.071 3.889 3.960 0.000 0.000 0.215 21 G HA3 -0.071 3.889 3.960 0.000 0.000 0.215 21 G C 0.285 175.153 174.900 -0.053 0.000 1.147 21 G CA 0.394 45.473 45.100 -0.036 0.000 0.802 21 G HN 0.516 nan 8.290 nan 0.000 0.535 22 D N 0.253 120.624 120.400 -0.049 0.000 2.249 22 D HA 0.256 4.896 4.640 0.000 0.000 0.246 22 D C -1.029 175.235 176.300 -0.059 0.000 1.114 22 D CA -2.570 51.384 54.000 -0.077 0.000 0.854 22 D CB 2.261 43.017 40.800 -0.073 0.000 1.132 22 D HN -0.011 nan 8.370 nan 0.000 0.461 23 P HA -0.065 nan 4.420 nan 0.000 0.220 23 P C 1.266 178.540 177.300 -0.043 0.000 1.148 23 P CA 0.762 63.755 63.100 -0.179 0.000 0.803 23 P CB 0.238 31.539 31.700 -0.666 0.000 0.782 24 G N 0.515 109.259 108.800 -0.093 0.000 2.408 24 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 24 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 24 G C 1.908 176.899 174.900 0.152 0.000 1.150 24 G CA 0.417 45.541 45.100 0.041 0.000 0.776 24 G HN 0.254 nan 8.290 nan 0.000 0.542 25 R N 0.392 120.957 120.500 0.109 0.000 2.115 25 R HA 0.146 4.486 4.340 0.000 0.000 0.226 25 R C 2.820 179.271 176.300 0.251 0.000 1.100 25 R CA 1.181 57.394 56.100 0.189 0.000 0.980 25 R CB -0.268 30.090 30.300 0.096 0.000 0.875 25 R HN 0.277 nan 8.270 nan 0.000 0.445 26 A N 1.095 124.033 122.820 0.197 0.000 1.877 26 A HA -0.231 4.089 4.320 0.000 0.000 0.216 26 A C 2.009 179.624 177.584 0.051 0.000 1.186 26 A CA 1.686 53.841 52.037 0.196 0.000 0.620 26 A CB -0.614 18.580 19.000 0.323 0.000 0.822 26 A HN 0.577 nan 8.150 nan 0.000 0.443 27 E N -1.652 118.644 120.200 0.159 0.000 2.077 27 E HA -0.260 4.091 4.350 0.000 0.000 0.193 27 E C 1.829 178.396 176.600 -0.055 0.000 0.989 27 E CA 1.458 57.804 56.400 -0.089 0.000 0.800 27 E CB -0.313 29.604 29.700 0.361 0.000 0.746 27 E HN 0.764 nan 8.360 nan 0.000 0.452 28 W N 1.153 122.441 121.300 -0.020 0.000 2.363 28 W HA -0.113 4.547 4.660 0.000 0.000 0.296 28 W C 1.781 178.325 176.519 0.042 0.000 1.212 28 W CA 1.504 58.856 57.345 0.011 0.000 1.260 28 W CB -0.183 29.303 29.460 0.044 0.000 1.131 28 W HN 0.059 nan 8.180 nan 0.000 0.530 29 I N 0.578 121.176 120.570 0.046 0.000 2.202 29 I HA -0.299 3.871 4.170 0.000 0.000 0.242 29 I C 2.657 178.701 176.117 -0.122 0.000 1.091 29 I CA 1.504 62.770 61.300 -0.057 0.000 1.368 29 I CB -1.125 36.891 38.000 0.027 0.000 1.058 29 I HN 0.065 nan 8.210 nan 0.000 0.410 30 A N 0.923 123.611 122.820 -0.219 0.000 1.883 30 A HA -0.246 4.074 4.320 0.000 0.000 0.217 30 A C 2.315 179.778 177.584 -0.202 0.000 1.186 30 A CA 1.860 53.752 52.037 -0.243 0.000 0.624 30 A CB -0.496 18.164 19.000 -0.568 0.000 0.822 30 A HN 0.333 nan 8.150 nan 0.000 0.444 31 K N -1.202 119.040 120.400 -0.264 0.000 2.155 31 K HA -0.044 4.276 4.320 0.000 0.000 0.203 31 K C 2.029 178.462 176.600 -0.279 0.000 1.052 31 K CA 1.597 57.753 56.287 -0.219 0.000 0.948 31 K CB -0.210 32.183 32.500 -0.179 0.000 0.728 31 K HN 0.483 nan 8.250 nan 0.000 0.448 32 T N 0.107 114.385 114.554 -0.461 0.000 2.894 32 T HA 0.004 4.354 4.350 0.000 0.000 0.258 32 T C 1.288 175.626 174.700 -0.603 0.000 1.043 32 T CA 1.053 62.755 62.100 -0.663 0.000 1.141 32 T CB -0.059 68.038 68.868 -1.284 0.000 0.873 32 T HN 0.068 nan 8.240 nan 0.000 0.449 33 F N 0.310 120.080 119.950 -0.300 0.000 2.653 33 F HA 0.442 4.969 4.527 0.000 0.000 0.288 33 F C 0.715 176.530 175.800 0.024 0.000 1.121 33 F CA -0.271 57.663 58.000 -0.110 0.000 1.384 33 F CB 0.083 38.996 39.000 -0.146 0.000 1.115 33 F HN -0.038 nan 8.300 nan 0.000 0.599 34 L N 1.009 122.314 121.223 0.136 0.000 2.379 34 L HA 0.350 4.690 4.340 0.000 0.000 0.269 34 L C -0.114 176.795 176.870 0.064 0.000 1.084 34 L CA -0.904 54.014 54.840 0.129 0.000 0.802 34 L CB 0.616 42.729 42.059 0.090 0.000 1.175 34 L HN -0.118 nan 8.230 nan 0.000 0.448 35 Q N 1.814 121.658 119.800 0.073 0.000 2.257 35 Q HA 0.136 4.476 4.340 0.000 0.000 0.255 35 Q C -0.168 175.855 176.000 0.039 0.000 0.920 35 Q CA -0.439 55.385 55.803 0.035 0.000 0.927 35 Q CB 1.166 29.918 28.738 0.023 0.000 1.229 35 Q HN 0.561 nan 8.270 nan 0.000 0.433 36 N N 1.558 120.273 118.700 0.024 0.000 2.705 36 N HA -0.132 4.608 4.740 0.000 0.000 0.255 36 N C -2.521 173.021 175.510 0.054 0.000 1.008 36 N CA 0.167 53.236 53.050 0.032 0.000 0.742 36 N CB -0.299 38.206 38.487 0.031 0.000 0.906 36 N HN 0.330 nan 8.380 nan 0.000 0.541 37 P HA 0.204 nan 4.420 nan 0.000 0.275 37 P C -0.745 176.632 177.300 0.128 0.000 1.227 37 P CA 0.243 63.401 63.100 0.096 0.000 0.781 37 P CB 0.782 32.511 31.700 0.047 0.000 0.906 38 R N 1.680 122.282 120.500 0.171 0.000 2.628 38 R HA 0.425 4.765 4.340 0.000 0.000 0.288 38 R C 0.064 176.425 176.300 0.102 0.000 0.980 38 R CA -0.901 55.279 56.100 0.132 0.000 0.891 38 R CB 2.484 32.843 30.300 0.098 0.000 1.188 38 R HN 0.435 nan 8.270 nan 0.000 0.450 39 R N 2.797 123.261 120.500 -0.060 0.000 2.242 39 R HA 0.054 4.394 4.340 0.000 0.000 0.334 39 R C 0.204 176.331 176.300 -0.289 0.000 1.071 39 R CA -0.083 55.728 56.100 -0.480 0.000 0.922 39 R CB 0.353 30.247 30.300 -0.678 0.000 1.023 39 R HN 0.719 nan 8.270 nan 0.000 0.458 40 Y N 1.764 121.963 120.300 -0.168 0.000 2.500 40 Y HA 0.339 4.889 4.550 0.000 0.000 0.270 40 Y C -0.319 175.541 175.900 -0.066 0.000 1.134 40 Y CA -0.796 57.260 58.100 -0.073 0.000 1.293 40 Y CB 0.143 38.596 38.460 -0.011 0.000 1.063 40 Y HN 0.477 nan 8.280 nan 0.000 0.534 41 N N 0.241 118.799 118.700 -0.237 0.000 2.367 41 N HA 0.226 4.966 4.740 0.000 0.000 0.278 41 N C -1.234 174.202 175.510 -0.124 0.000 1.117 41 N CA -0.093 52.928 53.050 -0.048 0.000 0.867 41 N CB 1.518 40.092 38.487 0.144 0.000 1.649 41 N HN 0.195 nan 8.380 nan 0.000 0.479 42 D N -0.144 120.272 120.400 0.027 0.000 2.530 42 D HA 0.058 4.698 4.640 0.000 0.000 0.253 42 D C -0.296 176.149 176.300 0.243 0.000 1.338 42 D CA -0.115 53.968 54.000 0.139 0.000 0.806 42 D CB -0.735 40.024 40.800 -0.069 0.000 1.160 42 D HN 0.557 nan 8.370 nan 0.000 0.514 43 H N 2.322 121.455 119.070 0.105 0.000 2.928 43 H HA 0.287 4.843 4.556 0.000 0.000 0.338 43 H C 0.861 176.255 175.328 0.110 0.000 1.047 43 H CA 1.239 57.343 56.048 0.092 0.000 1.435 43 H CB 0.450 30.252 29.762 0.066 0.000 1.428 43 H HN -0.000 nan 8.280 nan 0.000 0.590 44 R N 2.739 122.999 120.500 -0.400 0.000 4.000 44 R HA -0.232 4.108 4.340 0.000 0.000 0.362 44 R C 1.096 177.340 176.300 -0.093 0.000 1.183 44 R CA 1.003 56.934 56.100 -0.283 0.000 1.011 44 R CB -1.797 28.327 30.300 -0.294 0.000 1.501 44 R HN 1.157 nan 8.270 nan 0.000 0.553 45 G N 0.045 108.851 108.800 0.010 0.000 2.162 45 G HA2 -0.312 3.648 3.960 0.000 0.000 0.260 45 G HA3 -0.312 3.648 3.960 0.000 0.000 0.260 45 G C 0.177 175.019 174.900 -0.097 0.000 0.976 45 G CA 0.347 45.417 45.100 -0.049 0.000 0.655 45 G HN 0.278 nan 8.290 nan 0.000 0.533 46 L N 0.812 122.069 121.223 0.056 0.000 2.533 46 L HA 0.275 4.615 4.340 0.000 0.000 0.239 46 L C 0.549 177.527 176.870 0.181 0.000 1.376 46 L CA -1.055 53.827 54.840 0.071 0.000 1.240 46 L CB -0.426 41.682 42.059 0.083 0.000 1.487 46 L HN 0.122 nan 8.230 nan 0.000 0.419 47 W N 1.688 122.950 121.300 -0.064 0.000 2.385 47 W HA 0.263 4.923 4.660 0.000 0.000 0.336 47 W C 0.915 177.280 176.519 -0.257 0.000 1.351 47 W CA -0.636 56.599 57.345 -0.184 0.000 1.295 47 W CB 0.016 29.451 29.460 -0.040 0.000 1.239 47 W HN 0.259 nan 8.180 nan 0.000 0.565 48 G N 3.476 112.005 108.800 -0.452 0.000 2.643 48 G HA2 0.659 4.619 3.960 0.000 0.000 0.305 48 G HA3 0.659 4.619 3.960 0.000 0.000 0.305 48 G C -2.156 171.995 174.900 -1.250 0.000 1.387 48 G CA -0.595 44.089 45.100 -0.693 0.000 0.982 48 G HN 0.246 nan 8.290 nan 0.000 0.501 49 Y N 0.036 120.084 120.300 -0.420 0.000 2.570 49 Y HA 0.750 5.300 4.550 0.000 0.000 0.345 49 Y C 0.447 176.426 175.900 0.130 0.000 1.014 49 Y CA -0.928 57.066 58.100 -0.177 0.000 1.063 49 Y CB 2.856 41.283 38.460 -0.055 0.000 1.272 49 Y HN 0.438 nan 8.280 nan 0.000 0.477 50 T N 1.073 115.845 114.554 0.362 0.000 2.881 50 T HA 0.738 5.088 4.350 0.000 0.000 0.290 50 T C -0.122 174.702 174.700 0.207 0.000 1.000 50 T CA -0.663 61.621 62.100 0.307 0.000 0.978 50 T CB 1.626 70.680 68.868 0.310 0.000 0.997 50 T HN 1.007 nan 8.240 nan 0.000 0.443 51 G N 1.843 110.741 108.800 0.163 0.000 2.871 51 G HA2 0.686 4.646 3.960 0.000 0.000 0.282 51 G HA3 0.686 4.646 3.960 0.000 0.000 0.282 51 G C -2.154 172.816 174.900 0.117 0.000 1.212 51 G CA -0.627 44.548 45.100 0.124 0.000 0.812 51 G HN 0.554 nan 8.290 nan 0.000 0.547 52 L N -0.009 121.281 121.223 0.110 0.000 2.401 52 L HA 0.517 4.857 4.340 0.000 0.000 0.266 52 L C -1.682 175.287 176.870 0.165 0.000 0.991 52 L CA -0.783 54.124 54.840 0.113 0.000 0.818 52 L CB 1.661 43.759 42.059 0.064 0.000 1.321 52 L HN 0.670 nan 8.230 nan 0.000 0.413 53 Y N 3.255 123.580 120.300 0.041 0.000 2.338 53 Y HA 0.308 4.858 4.550 0.000 0.000 0.328 53 Y C 0.531 176.452 175.900 0.036 0.000 0.965 53 Y CA -0.949 57.179 58.100 0.046 0.000 1.208 53 Y CB 0.883 39.375 38.460 0.052 0.000 1.132 53 Y HN 0.688 nan 8.280 nan 0.000 0.469 54 K N 4.570 124.699 120.400 -0.452 0.000 3.035 54 K HA -0.258 4.062 4.320 0.000 0.000 0.262 54 K C 0.945 177.465 176.600 -0.133 0.000 1.024 54 K CA 1.030 57.112 56.287 -0.341 0.000 0.748 54 K CB -1.593 30.626 32.500 -0.469 0.000 1.247 54 K HN 1.314 nan 8.250 nan 0.000 0.482 55 G N -1.556 107.204 108.800 -0.067 0.000 2.199 55 G HA2 -0.304 3.656 3.960 0.000 0.000 0.254 55 G HA3 -0.304 3.656 3.960 0.000 0.000 0.254 55 G C 0.135 175.045 174.900 0.016 0.000 0.982 55 G CA 0.085 45.174 45.100 -0.019 0.000 0.632 55 G HN 0.245 nan 8.290 nan 0.000 0.529 56 V N 3.209 123.148 119.914 0.042 0.000 2.394 56 V HA 0.521 4.641 4.120 0.000 0.000 0.282 56 V C -1.563 174.590 176.094 0.098 0.000 1.031 56 V CA -1.712 60.631 62.300 0.071 0.000 0.881 56 V CB 1.713 33.590 31.823 0.091 0.000 0.982 56 V HN 0.202 nan 8.190 nan 0.000 0.451 57 P HA 0.196 nan 4.420 nan 0.000 0.267 57 P C -0.940 176.421 177.300 0.101 0.000 1.205 57 P CA 0.142 63.295 63.100 0.088 0.000 0.765 57 P CB 1.196 32.936 31.700 0.067 0.000 0.828 58 V N 2.834 122.819 119.914 0.118 0.000 2.733 58 V HA 0.271 4.391 4.120 0.000 0.000 0.306 58 V C 0.082 176.256 176.094 0.133 0.000 1.084 58 V CA -0.464 61.902 62.300 0.110 0.000 0.905 58 V CB 2.164 34.045 31.823 0.096 0.000 1.010 58 V HN 0.472 nan 8.190 nan 0.000 0.424 59 S N 2.641 118.427 115.700 0.144 0.000 2.565 59 S HA 0.730 5.200 4.470 0.000 0.000 0.290 59 S C -0.445 174.266 174.600 0.185 0.000 1.150 59 S CA -0.567 57.765 58.200 0.220 0.000 1.058 59 S CB 1.876 65.236 63.200 0.267 0.000 1.032 59 S HN 0.503 nan 8.310 nan 0.000 0.510 60 V N 3.483 123.531 119.914 0.223 0.000 2.325 60 V HA 0.409 4.529 4.120 0.000 0.000 0.280 60 V C -0.471 175.760 176.094 0.229 0.000 1.016 60 V CA -0.611 61.799 62.300 0.184 0.000 0.818 60 V CB 1.077 32.990 31.823 0.150 0.000 1.019 60 V HN 0.780 nan 8.190 nan 0.000 0.434 61 Q N 3.043 122.957 119.800 0.189 0.000 2.333 61 Q HA 0.471 4.811 4.340 0.000 0.000 0.265 61 Q C -0.131 175.948 176.000 0.132 0.000 0.989 61 Q CA -0.108 55.801 55.803 0.176 0.000 0.842 61 Q CB 1.748 30.613 28.738 0.212 0.000 1.262 61 Q HN 0.724 nan 8.270 nan 0.000 0.451 62 T N 3.236 117.866 114.554 0.127 0.000 2.888 62 T HA 0.129 4.479 4.350 0.000 0.000 0.301 62 T C 1.015 175.742 174.700 0.045 0.000 1.001 62 T CA 0.696 62.843 62.100 0.077 0.000 1.147 62 T CB 0.632 69.534 68.868 0.057 0.000 0.931 62 T HN 0.806 nan 8.240 nan 0.000 0.541 63 T N 0.074 114.637 114.554 0.015 0.000 3.015 63 T HA 0.480 4.830 4.350 0.000 0.000 0.250 63 T C 1.129 175.811 174.700 -0.030 0.000 1.057 63 T CA 0.255 62.353 62.100 -0.002 0.000 1.066 63 T CB -0.177 68.685 68.868 -0.010 0.000 0.959 63 T HN 1.151 nan 8.240 nan 0.000 0.488 64 G N 1.599 110.372 108.800 -0.046 0.000 2.796 64 G HA2 -0.091 3.869 3.960 0.000 0.000 0.571 64 G HA3 -0.091 3.869 3.960 0.000 0.000 0.571 64 G C -0.608 174.251 174.900 -0.068 0.000 1.370 64 G CA -0.521 44.538 45.100 -0.068 0.000 0.856 64 G HN 0.562 nan 8.290 nan 0.000 0.538 65 M N 1.030 120.583 119.600 -0.078 0.000 2.233 65 M HA 0.560 5.040 4.480 0.000 0.000 0.355 65 M C 0.771 177.035 176.300 -0.060 0.000 1.191 65 M CA 0.855 56.108 55.300 -0.078 0.000 1.101 65 M CB 1.258 33.794 32.600 -0.107 0.000 1.592 65 M HN 2.510 nan 8.290 nan 0.000 0.461 66 G N 1.124 109.894 108.800 -0.049 0.000 2.712 66 G HA2 -0.161 3.799 3.960 0.000 0.000 0.686 66 G HA3 -0.161 3.799 3.960 0.000 0.000 0.686 66 G C 0.299 175.177 174.900 -0.037 0.000 1.181 66 G CA -0.311 44.768 45.100 -0.035 0.000 0.762 66 G HN 0.880 nan 8.290 nan 0.000 0.641 67 T N -0.922 113.614 114.554 -0.030 0.000 2.833 67 T HA -0.021 4.329 4.350 0.000 0.000 0.269 67 T C 0.098 174.793 174.700 -0.007 0.000 1.054 67 T CA 2.083 64.169 62.100 -0.024 0.000 1.135 67 T CB -0.679 68.181 68.868 -0.014 0.000 0.869 67 T HN 0.408 nan 8.240 nan 0.000 0.466 68 P HA -0.040 nan 4.420 nan 0.000 0.216 68 P C 2.079 179.352 177.300 -0.045 0.000 1.153 68 P CA 1.125 64.212 63.100 -0.022 0.000 0.848 68 P CB -0.208 31.473 31.700 -0.031 0.000 0.787 69 S N -1.019 114.650 115.700 -0.053 0.000 2.371 69 S HA -0.081 4.389 4.470 0.000 0.000 0.224 69 S C 1.972 176.535 174.600 -0.061 0.000 1.029 69 S CA 1.202 59.359 58.200 -0.073 0.000 0.978 69 S CB -1.003 62.158 63.200 -0.064 0.000 0.833 69 S HN 0.029 nan 8.310 nan 0.000 0.466 70 A N 1.297 124.092 122.820 -0.042 0.000 1.930 70 A HA 0.233 4.553 4.320 0.000 0.000 0.217 70 A C 2.414 179.987 177.584 -0.019 0.000 1.175 70 A CA 1.749 53.767 52.037 -0.032 0.000 0.627 70 A CB -1.266 17.709 19.000 -0.042 0.000 0.815 70 A HN 0.712 nan 8.150 nan 0.000 0.443 71 A N -0.075 122.744 122.820 -0.001 0.000 1.902 71 A HA -0.082 4.238 4.320 0.000 0.000 0.217 71 A C 2.124 179.726 177.584 0.030 0.000 1.181 71 A CA 1.495 53.558 52.037 0.043 0.000 0.623 71 A CB -0.566 18.523 19.000 0.148 0.000 0.818 71 A HN 0.492 nan 8.150 nan 0.000 0.443 72 I N -0.533 120.021 120.570 -0.028 0.000 2.179 72 I HA -0.224 3.946 4.170 0.000 0.000 0.242 72 I C 2.385 178.476 176.117 -0.044 0.000 1.088 72 I CA 1.264 62.511 61.300 -0.090 0.000 1.357 72 I CB -0.251 37.566 38.000 -0.306 0.000 1.051 72 I HN 0.171 nan 8.210 nan 0.000 0.409 73 V N 0.238 120.132 119.914 -0.033 0.000 2.295 73 V HA -0.243 3.877 4.120 0.000 0.000 0.246 73 V C 2.402 178.516 176.094 0.035 0.000 1.049 73 V CA 1.554 63.865 62.300 0.019 0.000 1.024 73 V CB -0.438 31.400 31.823 0.025 0.000 0.648 73 V HN 0.231 nan 8.190 nan 0.000 0.447 74 V N -0.210 119.716 119.914 0.020 0.000 2.343 74 V HA -0.230 3.890 4.120 0.000 0.000 0.247 74 V C 2.606 178.713 176.094 0.020 0.000 1.051 74 V CA 1.910 64.222 62.300 0.020 0.000 1.036 74 V CB -0.642 31.182 31.823 0.001 0.000 0.654 74 V HN 0.575 nan 8.190 nan 0.000 0.451 75 E N 0.169 120.383 120.200 0.023 0.000 2.058 75 E HA -0.241 4.109 4.350 0.000 0.000 0.194 75 E C 2.180 178.803 176.600 0.038 0.000 0.997 75 E CA 1.551 57.971 56.400 0.032 0.000 0.801 75 E CB -0.225 29.512 29.700 0.061 0.000 0.746 75 E HN 0.729 nan 8.360 nan 0.000 0.450 76 E N 0.466 120.696 120.200 0.050 0.000 2.208 76 E HA -0.076 4.274 4.350 0.000 0.000 0.193 76 E C 2.334 178.956 176.600 0.037 0.000 0.988 76 E CA 0.328 56.761 56.400 0.054 0.000 0.828 76 E CB -0.036 29.717 29.700 0.088 0.000 0.763 76 E HN 0.222 nan 8.360 nan 0.000 0.478 77 L N 0.557 121.804 121.223 0.040 0.000 2.072 77 L HA -0.134 4.206 4.340 0.000 0.000 0.205 77 L C 2.465 179.346 176.870 0.017 0.000 1.079 77 L CA 0.595 55.455 54.840 0.032 0.000 0.752 77 L CB -0.269 41.820 42.059 0.050 0.000 0.906 77 L HN 0.018 nan 8.230 nan 0.000 0.436 78 V N -0.306 119.619 119.914 0.019 0.000 2.392 78 V HA -0.253 3.867 4.120 0.000 0.000 0.249 78 V C 2.666 178.765 176.094 0.008 0.000 1.059 78 V CA 1.477 63.784 62.300 0.012 0.000 1.051 78 V CB -0.644 31.185 31.823 0.009 0.000 0.658 78 V HN 0.407 nan 8.190 nan 0.000 0.455 79 R N -0.297 120.208 120.500 0.009 0.000 2.148 79 R HA 0.026 4.366 4.340 0.000 0.000 0.227 79 R C 1.976 178.272 176.300 -0.007 0.000 1.103 79 R CA 1.058 57.160 56.100 0.004 0.000 0.983 79 R CB -0.661 29.644 30.300 0.008 0.000 0.874 79 R HN 0.450 nan 8.270 nan 0.000 0.451 80 L N -0.772 120.443 121.223 -0.014 0.000 2.554 80 L HA 0.121 4.461 4.340 0.000 0.000 0.226 80 L C 1.051 177.904 176.870 -0.029 0.000 1.137 80 L CA 0.675 55.494 54.840 -0.035 0.000 0.863 80 L CB 0.117 42.138 42.059 -0.063 0.000 0.985 80 L HN 0.397 nan 8.230 nan 0.000 0.451 81 G N -0.557 108.236 108.800 -0.012 0.000 2.175 81 G HA2 -0.178 3.782 3.960 0.000 0.000 0.182 81 G HA3 -0.178 3.782 3.960 0.000 0.000 0.182 81 G C 0.336 175.238 174.900 0.003 0.000 1.003 81 G CA -0.220 44.877 45.100 -0.005 0.000 0.666 81 G HN 0.390 nan 8.290 nan 0.000 0.506 82 A N 0.104 122.928 122.820 0.007 0.000 2.477 82 A HA 0.710 5.030 4.320 0.000 0.000 0.246 82 A C 1.180 178.777 177.584 0.022 0.000 1.078 82 A CA 1.288 53.337 52.037 0.020 0.000 0.770 82 A CB 0.417 19.435 19.000 0.030 0.000 1.011 82 A HN 0.681 nan 8.150 nan 0.000 0.494 83 R N 1.415 121.931 120.500 0.027 0.000 2.412 83 R HA 0.312 4.652 4.340 0.000 0.000 0.212 83 R C -0.942 175.378 176.300 0.033 0.000 0.878 83 R CA 0.500 56.615 56.100 0.026 0.000 1.022 83 R CB 0.655 30.969 30.300 0.023 0.000 1.265 83 R HN 0.504 nan 8.270 nan 0.000 0.620 84 V N 2.789 122.726 119.914 0.039 0.000 2.447 84 V HA 0.413 4.533 4.120 0.000 0.000 0.292 84 V C -1.426 174.699 176.094 0.052 0.000 1.021 84 V CA -0.769 61.558 62.300 0.045 0.000 0.850 84 V CB 1.659 33.507 31.823 0.042 0.000 1.005 84 V HN 0.051 nan 8.190 nan 0.000 0.426 85 L N 6.027 127.288 121.223 0.062 0.000 2.343 85 L HA 0.686 5.026 4.340 0.000 0.000 0.278 85 L C -0.407 176.513 176.870 0.084 0.000 0.996 85 L CA -0.349 54.532 54.840 0.067 0.000 0.831 85 L CB 2.022 44.120 42.059 0.065 0.000 1.232 85 L HN 0.372 nan 8.230 nan 0.000 0.413 86 V N 3.008 122.963 119.914 0.069 0.000 2.409 86 V HA 0.480 4.600 4.120 0.000 0.000 0.291 86 V C 0.173 176.300 176.094 0.055 0.000 1.020 86 V CA -0.762 61.584 62.300 0.077 0.000 0.848 86 V CB 1.715 33.571 31.823 0.054 0.000 0.990 86 V HN 0.729 nan 8.190 nan 0.000 0.430 87 R N 4.158 124.694 120.500 0.061 0.000 2.389 87 R HA 0.523 4.863 4.340 0.000 0.000 0.295 87 R C -0.693 175.619 176.300 0.020 0.000 1.075 87 R CA -0.261 55.853 56.100 0.024 0.000 1.005 87 R CB 1.127 31.418 30.300 -0.015 0.000 0.987 87 R HN 0.637 nan 8.270 nan 0.000 0.452 88 V N 2.264 122.183 119.914 0.007 0.000 2.325 88 V HA 0.799 4.919 4.120 0.000 0.000 0.280 88 V C 0.076 176.169 176.094 -0.001 0.000 1.016 88 V CA -0.245 62.055 62.300 0.001 0.000 0.818 88 V CB 0.912 32.727 31.823 -0.013 0.000 1.019 88 V HN 0.912 nan 8.190 nan 0.000 0.434 89 G N 3.226 112.022 108.800 -0.006 0.000 3.021 89 G HA2 0.857 4.817 3.960 0.000 0.000 0.290 89 G HA3 0.857 4.817 3.960 0.000 0.000 0.290 89 G C -0.434 174.458 174.900 -0.013 0.000 1.291 89 G CA -0.008 45.084 45.100 -0.013 0.000 0.834 89 G HN 1.010 nan 8.290 nan 0.000 0.564 90 T N -2.957 111.588 114.554 -0.015 0.000 2.926 90 T HA 0.857 5.207 4.350 0.000 0.000 0.289 90 T C -0.335 174.371 174.700 0.010 0.000 1.054 90 T CA -0.080 62.016 62.100 -0.007 0.000 1.015 90 T CB 1.895 70.754 68.868 -0.015 0.000 1.167 90 T HN 1.964 nan 8.240 nan 0.000 0.526 91 A N -0.112 122.722 122.820 0.024 0.000 2.606 91 A HA 0.850 5.170 4.320 0.000 0.000 0.293 91 A C -0.176 177.444 177.584 0.060 0.000 1.082 91 A CA -0.625 51.441 52.037 0.048 0.000 0.685 91 A CB 1.198 20.217 19.000 0.032 0.000 1.284 91 A HN 1.410 nan 8.150 nan 0.000 0.408 92 G N 0.501 109.352 108.800 0.085 0.000 2.322 92 G HA2 0.667 4.627 3.960 0.000 0.000 0.309 92 G HA3 0.667 4.627 3.960 0.000 0.000 0.309 92 G C 0.306 175.259 174.900 0.088 0.000 1.121 92 G CA 0.323 45.458 45.100 0.059 0.000 0.886 92 G HN 1.708 nan 8.290 nan 0.000 0.447 93 A N 1.832 124.688 122.820 0.061 0.000 2.546 93 A HA 0.490 4.810 4.320 0.000 0.000 0.243 93 A C 1.590 179.236 177.584 0.104 0.000 1.063 93 A CA 0.534 52.616 52.037 0.074 0.000 0.757 93 A CB 0.495 19.520 19.000 0.043 0.000 0.991 93 A HN 1.597 nan 8.150 nan 0.000 0.503 94 A N 2.294 125.214 122.820 0.166 0.000 2.169 94 A HA 0.407 4.727 4.320 0.000 0.000 0.212 94 A C 1.083 178.750 177.584 0.139 0.000 1.153 94 A CA 1.076 53.249 52.037 0.227 0.000 0.756 94 A CB -0.375 18.848 19.000 0.371 0.000 0.813 94 A HN 1.539 nan 8.150 nan 0.000 0.471 95 S N -2.736 113.019 115.700 0.091 0.000 2.618 95 S HA 0.449 4.919 4.470 0.000 0.000 0.277 95 S C 0.353 174.975 174.600 0.037 0.000 1.138 95 S CA 0.038 58.275 58.200 0.061 0.000 0.844 95 S CB 1.444 64.680 63.200 0.060 0.000 1.127 95 S HN 0.018 nan 8.310 nan 0.000 0.474 96 S N 1.182 116.897 115.700 0.026 0.000 2.547 96 S HA -0.081 4.389 4.470 0.000 0.000 0.235 96 S C 1.389 175.997 174.600 0.014 0.000 0.980 96 S CA 1.134 59.343 58.200 0.016 0.000 0.941 96 S CB -0.506 62.701 63.200 0.011 0.000 0.763 96 S HN 0.858 nan 8.310 nan 0.000 0.532 97 D N 0.627 121.037 120.400 0.017 0.000 2.289 97 D HA -0.020 4.620 4.640 0.000 0.000 0.207 97 D C 0.504 176.811 176.300 0.011 0.000 0.966 97 D CA 0.163 54.170 54.000 0.012 0.000 0.868 97 D CB -0.080 40.726 40.800 0.010 0.000 0.943 97 D HN 0.313 nan 8.370 nan 0.000 0.514 98 L N 1.410 122.642 121.223 0.016 0.000 2.278 98 L HA 0.413 4.753 4.340 0.000 0.000 0.287 98 L C 0.252 177.129 176.870 0.012 0.000 1.072 98 L CA -0.546 54.303 54.840 0.014 0.000 0.819 98 L CB 1.274 43.346 42.059 0.021 0.000 1.176 98 L HN 0.006 nan 8.230 nan 0.000 0.435 99 A N 7.330 130.155 122.820 0.008 0.000 2.304 99 A HA 0.686 5.006 4.320 0.000 0.000 0.301 99 A C -2.325 175.262 177.584 0.005 0.000 1.132 99 A CA -1.571 50.470 52.037 0.006 0.000 0.819 99 A CB 0.329 19.331 19.000 0.004 0.000 1.094 99 A HN 0.464 nan 8.150 nan 0.000 0.492 100 P HA 0.186 nan 4.420 nan 0.000 0.266 100 P C 0.884 178.179 177.300 -0.008 0.000 1.195 100 P CA 1.574 64.673 63.100 -0.002 0.000 0.768 100 P CB 0.930 32.627 31.700 -0.005 0.000 0.838 101 G N 1.623 110.415 108.800 -0.012 0.000 2.284 101 G HA2 -0.242 3.718 3.960 0.000 0.000 0.230 101 G HA3 -0.242 3.718 3.960 0.000 0.000 0.230 101 G C 0.214 175.107 174.900 -0.011 0.000 1.021 101 G CA 0.315 45.404 45.100 -0.020 0.000 0.619 101 G HN 0.724 nan 8.290 nan 0.000 0.510 102 E N 1.051 121.253 120.200 0.002 0.000 2.398 102 E HA 0.496 4.846 4.350 0.000 0.000 0.263 102 E C 0.688 177.303 176.600 0.024 0.000 1.046 102 E CA -0.328 56.082 56.400 0.016 0.000 0.908 102 E CB 0.215 29.924 29.700 0.014 0.000 0.963 102 E HN 0.424 nan 8.360 nan 0.000 0.431 103 L N 4.730 125.985 121.223 0.052 0.000 2.343 103 L HA 0.471 4.811 4.340 0.000 0.000 0.275 103 L C -0.091 176.819 176.870 0.066 0.000 1.056 103 L CA -0.788 54.090 54.840 0.063 0.000 0.804 103 L CB 0.916 43.034 42.059 0.099 0.000 1.203 103 L HN 0.558 nan 8.230 nan 0.000 0.440 104 I N 2.454 123.052 120.570 0.046 0.000 2.468 104 I HA 0.253 4.423 4.170 0.000 0.000 0.285 104 I C -0.653 175.488 176.117 0.039 0.000 1.039 104 I CA -0.663 60.656 61.300 0.032 0.000 1.074 104 I CB 2.313 40.325 38.000 0.019 0.000 1.228 104 I HN 0.192 nan 8.210 nan 0.000 0.436 105 V N 5.874 125.802 119.914 0.023 0.000 2.368 105 V HA 0.313 4.433 4.120 0.000 0.000 0.266 105 V C 0.829 177.005 176.094 0.136 0.000 1.045 105 V CA -0.538 61.791 62.300 0.048 0.000 0.899 105 V CB 1.187 32.962 31.823 -0.080 0.000 1.006 105 V HN 0.828 nan 8.190 nan 0.000 0.470 106 A N 4.307 127.240 122.820 0.189 0.000 2.473 106 A HA 0.132 4.452 4.320 0.000 0.000 0.282 106 A C 1.240 178.931 177.584 0.178 0.000 1.163 106 A CA 0.034 52.193 52.037 0.203 0.000 0.827 106 A CB 0.025 19.195 19.000 0.284 0.000 1.098 106 A HN 0.949 nan 8.150 nan 0.000 0.515 107 Q N 2.600 122.422 119.800 0.037 0.000 2.245 107 Q HA 0.194 4.535 4.340 0.000 0.000 0.201 107 Q C 0.698 176.470 176.000 -0.381 0.000 0.955 107 Q CA 1.140 56.711 55.803 -0.388 0.000 0.870 107 Q CB 0.116 28.703 28.738 -0.251 0.000 0.945 107 Q HN 0.895 nan 8.270 nan 0.000 0.461 108 G N -0.813 107.929 108.800 -0.097 0.000 2.559 108 G HA2 0.602 4.562 3.960 0.000 0.000 0.291 108 G HA3 0.602 4.562 3.960 0.000 0.000 0.291 108 G C -2.006 172.978 174.900 0.140 0.000 1.424 108 G CA -0.271 44.824 45.100 -0.008 0.000 0.786 108 G HN 0.170 nan 8.290 nan 0.000 0.485 109 A N 0.029 122.934 122.820 0.142 0.000 2.411 109 A HA 0.654 4.974 4.320 0.000 0.000 0.285 109 A C -0.386 177.158 177.584 -0.067 0.000 1.129 109 A CA -0.455 51.585 52.037 0.005 0.000 0.736 109 A CB 1.438 20.402 19.000 -0.060 0.000 1.186 109 A HN 1.411 nan 8.150 nan 0.000 0.445 110 V N 5.021 124.835 119.914 -0.168 0.000 2.493 110 V HA 0.164 4.284 4.120 0.000 0.000 0.292 110 V C -1.679 174.298 176.094 -0.195 0.000 1.016 110 V CA -0.425 61.754 62.300 -0.201 0.000 1.097 110 V CB 0.773 32.365 31.823 -0.384 0.000 0.947 110 V HN 0.762 nan 8.190 nan 0.000 0.479 111 P HA 0.190 nan 4.420 nan 0.000 0.252 111 P C 0.148 177.410 177.300 -0.064 0.000 1.727 111 P CA 0.054 63.125 63.100 -0.049 0.000 1.134 111 P CB 0.241 31.968 31.700 0.045 0.000 1.876 112 L N 1.723 122.874 121.223 -0.121 0.000 2.685 112 L HA 0.168 4.508 4.340 0.000 0.000 0.233 112 L C 1.074 177.925 176.870 -0.032 0.000 1.173 112 L CA -0.048 54.741 54.840 -0.085 0.000 0.961 112 L CB -0.295 41.670 42.059 -0.157 0.000 1.217 112 L HN 0.287 nan 8.230 nan 0.000 0.478 113 D N -0.967 119.418 120.400 -0.025 0.000 2.272 113 D HA 0.184 4.824 4.640 0.000 0.000 0.247 113 D C 0.894 177.199 176.300 0.007 0.000 0.990 113 D CA -0.431 53.565 54.000 -0.007 0.000 0.931 113 D CB 2.238 43.029 40.800 -0.015 0.000 1.195 113 D HN -0.051 nan 8.370 nan 0.000 0.477 114 G N -0.133 108.671 108.800 0.007 0.000 2.551 114 G HA2 -0.121 3.839 3.960 0.000 0.000 0.216 114 G HA3 -0.121 3.839 3.960 0.000 0.000 0.216 114 G C 1.239 176.139 174.900 0.001 0.000 1.137 114 G CA 0.603 45.705 45.100 0.003 0.000 0.798 114 G HN 0.556 nan 8.290 nan 0.000 0.536 115 T N 1.546 116.109 114.554 0.015 0.000 2.674 115 T HA -0.183 4.167 4.350 0.000 0.000 0.265 115 T C 2.888 177.669 174.700 0.134 0.000 1.039 115 T CA 2.268 64.393 62.100 0.042 0.000 1.150 115 T CB -0.721 68.195 68.868 0.079 0.000 0.864 115 T HN 0.536 nan 8.240 nan 0.000 0.427 116 T N 1.116 115.744 114.554 0.125 0.000 2.746 116 T HA -0.144 4.207 4.350 0.000 0.000 0.267 116 T C 1.982 176.737 174.700 0.091 0.000 1.039 116 T CA 1.231 63.409 62.100 0.129 0.000 1.142 116 T CB -0.357 68.554 68.868 0.071 0.000 0.866 116 T HN 0.312 nan 8.240 nan 0.000 0.444 117 R N 0.906 121.437 120.500 0.052 0.000 2.091 117 R HA -0.154 4.186 4.340 0.000 0.000 0.238 117 R C 2.768 179.074 176.300 0.010 0.000 1.136 117 R CA 1.819 57.937 56.100 0.029 0.000 0.959 117 R CB -0.371 29.940 30.300 0.019 0.000 0.856 117 R HN 0.633 nan 8.270 nan 0.000 0.437 118 Q N -0.740 119.046 119.800 -0.023 0.000 2.046 118 Q HA -0.202 4.138 4.340 0.000 0.000 0.200 118 Q C 1.780 177.728 176.000 -0.086 0.000 0.975 118 Q CA 1.810 57.559 55.803 -0.089 0.000 0.836 118 Q CB -0.167 28.463 28.738 -0.182 0.000 0.896 118 Q HN 0.492 nan 8.270 nan 0.000 0.428 119 Y N 0.134 120.403 120.300 -0.052 0.000 2.207 119 Y HA -0.195 4.355 4.550 0.000 0.000 0.287 119 Y C 1.834 177.683 175.900 -0.086 0.000 1.156 119 Y CA 0.917 58.976 58.100 -0.068 0.000 1.182 119 Y CB 0.168 38.576 38.460 -0.087 0.000 0.979 119 Y HN 0.139 nan 8.280 nan 0.000 0.521 120 L N -0.060 121.204 121.223 0.067 0.000 2.591 120 L HA -0.010 4.330 4.340 0.000 0.000 0.228 120 L C 0.248 177.121 176.870 0.004 0.000 1.133 120 L CA 0.417 55.252 54.840 -0.009 0.000 0.880 120 L CB -0.369 41.665 42.059 -0.042 0.000 1.033 120 L HN 0.209 nan 8.230 nan 0.000 0.450 121 E N -0.010 120.193 120.200 0.006 0.000 2.360 121 E HA -0.291 4.059 4.350 0.000 0.000 0.238 121 E C 1.209 177.813 176.600 0.007 0.000 1.186 121 E CA 0.215 56.614 56.400 -0.000 0.000 0.719 121 E CB -1.704 27.997 29.700 0.001 0.000 1.236 121 E HN 0.675 nan 8.360 nan 0.000 0.386 122 G N -0.067 108.739 108.800 0.012 0.000 2.184 122 G HA2 -0.406 3.554 3.960 0.000 0.000 0.264 122 G HA3 -0.406 3.554 3.960 0.000 0.000 0.264 122 G C 0.365 175.284 174.900 0.031 0.000 0.975 122 G CA 0.717 45.830 45.100 0.020 0.000 0.642 122 G HN 0.347 nan 8.290 nan 0.000 0.536 123 R N 0.754 121.274 120.500 0.034 0.000 2.615 123 R HA 0.471 4.811 4.340 0.000 0.000 0.270 123 R C -2.105 174.244 176.300 0.081 0.000 1.081 123 R CA -1.464 54.666 56.100 0.050 0.000 1.154 123 R CB 0.145 30.472 30.300 0.045 0.000 1.063 123 R HN 0.133 nan 8.270 nan 0.000 0.519 124 P HA 0.028 nan 4.420 nan 0.000 0.271 124 P C -1.458 175.971 177.300 0.216 0.000 1.233 124 P CA 0.134 63.305 63.100 0.117 0.000 0.789 124 P CB 0.366 32.114 31.700 0.080 0.000 0.951 125 Y N -0.476 119.835 120.300 0.018 0.000 2.702 125 Y HA 0.515 5.065 4.550 0.000 0.000 0.336 125 Y C -1.720 174.187 175.900 0.012 0.000 1.203 125 Y CA -1.095 57.014 58.100 0.015 0.000 1.072 125 Y CB 0.956 39.427 38.460 0.019 0.000 1.327 125 Y HN 0.408 nan 8.280 nan 0.000 0.456 126 A N 4.706 127.074 122.820 -0.754 0.000 2.586 126 A HA 0.643 4.963 4.320 0.000 0.000 0.320 126 A C -3.006 174.209 177.584 -0.614 0.000 1.281 126 A CA -1.711 50.032 52.037 -0.490 0.000 0.775 126 A CB 0.005 18.792 19.000 -0.355 0.000 1.122 126 A HN 0.369 nan 8.150 nan 0.000 0.470 127 P HA 0.253 nan 4.420 nan 0.000 0.264 127 P C -0.228 177.139 177.300 0.111 0.000 1.229 127 P CA 0.326 63.499 63.100 0.123 0.000 0.780 127 P CB 0.729 32.596 31.700 0.278 0.000 0.808 128 V N 2.383 122.239 119.914 -0.097 0.000 2.962 128 V HA 0.790 4.910 4.120 0.000 0.000 0.313 128 V C -2.549 173.012 176.094 -0.887 0.000 1.099 128 V CA -2.991 59.020 62.300 -0.483 0.000 0.971 128 V CB 2.406 33.998 31.823 -0.386 0.000 1.028 128 V HN 0.238 nan 8.190 nan 0.000 0.430 129 P HA 0.212 nan 4.420 nan 0.000 0.279 129 P C -0.794 176.269 177.300 -0.396 0.000 1.282 129 P CA -0.005 62.469 63.100 -1.044 0.000 0.788 129 P CB 0.698 31.891 31.700 -0.845 0.000 1.139 130 D N 0.305 120.601 120.400 -0.172 0.000 2.425 130 D HA 0.035 4.675 4.640 0.000 0.000 0.247 130 D C -1.078 175.213 176.300 -0.015 0.000 1.147 130 D CA -1.610 52.352 54.000 -0.064 0.000 0.879 130 D CB 0.433 41.231 40.800 -0.003 0.000 1.179 130 D HN 0.131 nan 8.370 nan 0.000 0.456 131 P HA -0.209 nan 4.420 nan 0.000 0.215 131 P C 0.843 178.232 177.300 0.148 0.000 1.157 131 P CA 1.160 64.312 63.100 0.087 0.000 0.868 131 P CB 0.237 31.964 31.700 0.045 0.000 0.788 132 E N -0.199 120.050 120.200 0.081 0.000 2.077 132 E HA -0.090 4.260 4.350 0.000 0.000 0.193 132 E C 2.261 178.906 176.600 0.074 0.000 0.989 132 E CA 0.801 57.240 56.400 0.065 0.000 0.800 132 E CB -1.020 28.703 29.700 0.037 0.000 0.746 132 E HN 0.114 nan 8.360 nan 0.000 0.452 133 V N 1.360 121.324 119.914 0.082 0.000 2.343 133 V HA -0.231 3.889 4.120 0.000 0.000 0.247 133 V C 2.159 178.328 176.094 0.125 0.000 1.051 133 V CA 1.688 64.039 62.300 0.084 0.000 1.036 133 V CB -0.606 31.264 31.823 0.079 0.000 0.654 133 V HN 0.159 nan 8.190 nan 0.000 0.451 134 F N 1.462 121.416 119.950 0.007 0.000 2.095 134 F HA -0.220 4.307 4.527 0.000 0.000 0.298 134 F C 2.593 178.471 175.800 0.131 0.000 1.104 134 F CA 2.320 60.342 58.000 0.036 0.000 1.232 134 F CB -0.461 38.536 39.000 -0.005 0.000 0.987 134 F HN -0.043 nan 8.300 nan 0.000 0.475 135 R N 0.306 120.806 120.500 -0.000 0.000 2.083 135 R HA -0.157 4.183 4.340 0.000 0.000 0.237 135 R C 2.400 178.651 176.300 -0.082 0.000 1.137 135 R CA 1.466 57.511 56.100 -0.091 0.000 0.951 135 R CB -0.753 29.545 30.300 -0.003 0.000 0.851 135 R HN 0.404 nan 8.270 nan 0.000 0.434 136 A N 1.060 123.862 122.820 -0.031 0.000 1.877 136 A HA -0.150 4.170 4.320 0.000 0.000 0.216 136 A C 2.222 179.791 177.584 -0.025 0.000 1.186 136 A CA 1.300 53.322 52.037 -0.025 0.000 0.620 136 A CB -0.606 18.393 19.000 -0.001 0.000 0.822 136 A HN 0.351 nan 8.150 nan 0.000 0.443 137 L N -2.079 119.132 121.223 -0.020 0.000 2.012 137 L HA -0.232 4.108 4.340 0.000 0.000 0.210 137 L C 2.629 179.484 176.870 -0.025 0.000 1.073 137 L CA 1.615 56.442 54.840 -0.022 0.000 0.748 137 L CB -0.493 41.563 42.059 -0.004 0.000 0.891 137 L HN 0.745 nan 8.230 nan 0.000 0.431 138 W N 1.412 122.525 121.300 -0.311 0.000 2.355 138 W HA -0.165 4.495 4.660 0.000 0.000 0.309 138 W C 2.720 179.085 176.519 -0.256 0.000 1.206 138 W CA 1.439 58.587 57.345 -0.329 0.000 1.284 138 W CB -0.511 28.678 29.460 -0.451 0.000 1.145 138 W HN 0.033 nan 8.180 nan 0.000 0.502 139 R N -0.377 120.115 120.500 -0.013 0.000 2.070 139 R HA -0.172 4.168 4.340 0.000 0.000 0.233 139 R C 2.316 178.572 176.300 -0.073 0.000 1.137 139 R CA 1.596 57.635 56.100 -0.101 0.000 0.945 139 R CB -0.486 29.743 30.300 -0.118 0.000 0.845 139 R HN -0.105 nan 8.270 nan 0.000 0.430 140 R N 0.442 120.905 120.500 -0.062 0.000 2.091 140 R HA -0.089 4.251 4.340 0.000 0.000 0.238 140 R C 2.171 178.403 176.300 -0.114 0.000 1.136 140 R CA 1.621 57.679 56.100 -0.070 0.000 0.959 140 R CB -1.007 29.268 30.300 -0.041 0.000 0.856 140 R HN 0.287 nan 8.270 nan 0.000 0.437 141 A N 1.184 123.918 122.820 -0.143 0.000 1.940 141 A HA -0.203 4.117 4.320 0.000 0.000 0.219 141 A C 2.071 179.518 177.584 -0.229 0.000 1.176 141 A CA 1.689 53.576 52.037 -0.250 0.000 0.631 141 A CB -0.338 18.313 19.000 -0.580 0.000 0.814 141 A HN 0.419 nan 8.150 nan 0.000 0.446 142 E N -0.479 119.640 120.200 -0.136 0.000 2.046 142 E HA -0.018 4.332 4.350 0.000 0.000 0.190 142 E C 2.366 178.930 176.600 -0.060 0.000 0.982 142 E CA 0.781 57.175 56.400 -0.011 0.000 0.800 142 E CB -0.284 29.432 29.700 0.028 0.000 0.756 142 E HN 0.602 nan 8.360 nan 0.000 0.449 143 A N 1.173 123.939 122.820 -0.091 0.000 1.940 143 A HA -0.153 4.167 4.320 0.000 0.000 0.219 143 A C 2.097 179.589 177.584 -0.154 0.000 1.176 143 A CA 1.140 53.119 52.037 -0.097 0.000 0.631 143 A CB -0.526 18.424 19.000 -0.082 0.000 0.814 143 A HN 0.148 nan 8.150 nan 0.000 0.446 144 L N -1.140 119.924 121.223 -0.265 0.000 2.554 144 L HA 0.169 4.509 4.340 0.000 0.000 0.226 144 L C 1.556 178.073 176.870 -0.588 0.000 1.137 144 L CA 0.410 54.933 54.840 -0.528 0.000 0.863 144 L CB -0.380 41.157 42.059 -0.870 0.000 0.985 144 L HN 0.566 nan 8.230 nan 0.000 0.451 145 G N 0.073 108.714 108.800 -0.265 0.000 2.295 145 G HA2 -0.318 3.642 3.960 0.000 0.000 0.287 145 G HA3 -0.318 3.642 3.960 0.000 0.000 0.287 145 G C -0.153 174.810 174.900 0.106 0.000 1.055 145 G CA -0.183 44.883 45.100 -0.057 0.000 0.922 145 G HN 0.433 nan 8.290 nan 0.000 0.503 146 Y N 0.518 120.882 120.300 0.107 0.000 2.335 146 Y HA 0.364 4.914 4.550 0.000 0.000 0.339 146 Y C -1.434 174.611 175.900 0.243 0.000 0.987 146 Y CA -2.623 55.552 58.100 0.124 0.000 1.140 146 Y CB 1.669 40.176 38.460 0.079 0.000 1.173 146 Y HN 0.088 nan 8.280 nan 0.000 0.486 147 P HA -0.091 nan 4.420 nan 0.000 0.261 147 P C -0.995 176.460 177.300 0.258 0.000 1.173 147 P CA 1.071 64.306 63.100 0.225 0.000 0.760 147 P CB 0.502 32.270 31.700 0.112 0.000 0.783 148 H N 1.281 120.384 119.070 0.056 0.000 3.037 148 H HA 0.545 5.101 4.556 0.000 0.000 0.355 148 H C -0.663 174.647 175.328 -0.030 0.000 1.263 148 H CA -1.064 54.994 56.048 0.016 0.000 1.129 148 H CB 1.077 30.849 29.762 0.016 0.000 1.861 148 H HN 0.236 nan 8.280 nan 0.000 0.546 149 R N 0.636 121.117 120.500 -0.033 0.000 2.787 149 R HA 0.658 4.998 4.340 0.000 0.000 0.271 149 R C -0.857 175.377 176.300 -0.111 0.000 0.993 149 R CA -1.192 54.845 56.100 -0.105 0.000 0.993 149 R CB 2.449 32.716 30.300 -0.054 0.000 1.155 149 R HN 0.446 nan 8.270 nan 0.000 0.486 150 V N 0.834 120.633 119.914 -0.192 0.000 2.569 150 V HA 0.778 4.898 4.120 0.000 0.000 0.301 150 V C 0.302 176.315 176.094 -0.135 0.000 1.044 150 V CA -0.335 61.809 62.300 -0.259 0.000 0.874 150 V CB 1.611 32.997 31.823 -0.729 0.000 1.002 150 V HN 1.032 nan 8.190 nan 0.000 0.424 151 G N 3.724 112.496 108.800 -0.047 0.000 2.356 151 G HA2 0.381 4.341 3.960 0.000 0.000 0.281 151 G HA3 0.381 4.341 3.960 0.000 0.000 0.281 151 G C -1.644 173.243 174.900 -0.021 0.000 1.246 151 G CA -0.904 44.176 45.100 -0.032 0.000 0.889 151 G HN 0.541 nan 8.290 nan 0.000 0.486 152 L N 0.613 121.818 121.223 -0.030 0.000 2.399 152 L HA 0.679 5.019 4.340 0.000 0.000 0.266 152 L C 0.700 177.524 176.870 -0.078 0.000 1.114 152 L CA -0.858 53.955 54.840 -0.045 0.000 0.804 152 L CB 1.377 43.409 42.059 -0.045 0.000 1.146 152 L HN 0.672 nan 8.230 nan 0.000 0.451 153 V N -0.789 119.055 119.914 -0.116 0.000 3.126 153 V HA 0.962 5.082 4.120 0.000 0.000 0.314 153 V C -0.571 175.317 176.094 -0.343 0.000 1.138 153 V CA -0.840 61.338 62.300 -0.203 0.000 1.034 153 V CB 1.801 33.544 31.823 -0.133 0.000 1.075 153 V HN 0.805 nan 8.190 nan 0.000 0.442 154 A N 0.990 123.467 122.820 -0.572 0.000 2.330 154 A HA 0.809 5.129 4.320 0.000 0.000 0.313 154 A C -0.135 177.164 177.584 -0.475 0.000 1.124 154 A CA -0.468 51.133 52.037 -0.727 0.000 0.774 154 A CB 1.358 19.473 19.000 -1.476 0.000 1.198 154 A HN 0.991 nan 8.150 nan 0.000 0.465 155 S N 2.160 117.673 115.700 -0.311 0.000 2.410 155 S HA 0.415 4.885 4.470 0.000 0.000 0.304 155 S C -0.006 174.524 174.600 -0.117 0.000 1.095 155 S CA -0.529 57.565 58.200 -0.176 0.000 1.089 155 S CB 0.437 63.540 63.200 -0.161 0.000 0.968 155 S HN 0.794 nan 8.310 nan 0.000 0.480 156 E N 2.103 122.288 120.200 -0.024 0.000 2.249 156 E HA 0.508 4.858 4.350 0.000 0.000 0.263 156 E C -0.758 175.858 176.600 0.026 0.000 0.950 156 E CA -0.859 55.554 56.400 0.022 0.000 0.827 156 E CB 0.940 30.704 29.700 0.107 0.000 1.220 156 E HN 0.191 nan 8.360 nan 0.000 0.411 157 D N 0.301 120.718 120.400 0.028 0.000 2.431 157 D HA 0.143 4.783 4.640 0.000 0.000 0.235 157 D C 0.064 176.398 176.300 0.057 0.000 0.980 157 D CA 0.616 54.635 54.000 0.033 0.000 0.912 157 D CB 0.356 41.169 40.800 0.022 0.000 1.056 157 D HN 0.512 nan 8.370 nan 0.000 0.494 158 A N 0.738 123.591 122.820 0.055 0.000 2.774 158 A HA 0.225 4.545 4.320 0.000 0.000 0.326 158 A C 0.605 178.225 177.584 0.060 0.000 1.478 158 A CA -0.494 51.587 52.037 0.074 0.000 1.099 158 A CB -0.801 18.234 19.000 0.058 0.000 1.148 158 A HN 0.101 nan 8.150 nan 0.000 0.519 159 F N 2.215 122.114 119.950 -0.086 0.000 2.091 159 F HA -0.254 4.273 4.527 0.000 0.000 0.299 159 F C 1.221 176.840 175.800 -0.302 0.000 1.103 159 F CA 2.177 60.038 58.000 -0.232 0.000 1.228 159 F CB -0.122 38.668 39.000 -0.351 0.000 0.984 159 F HN 0.665 nan 8.300 nan 0.000 0.477 160 Y N -0.688 119.681 120.300 0.115 0.000 2.471 160 Y HA 0.275 4.825 4.550 0.000 0.000 0.286 160 Y C 1.861 177.728 175.900 -0.055 0.000 1.188 160 Y CA 0.083 58.187 58.100 0.006 0.000 1.286 160 Y CB -0.320 38.205 38.460 0.108 0.000 1.072 160 Y HN 0.172 nan 8.280 nan 0.000 0.517 161 A N -0.947 121.891 122.820 0.031 0.000 2.014 161 A HA 0.054 4.374 4.320 0.000 0.000 0.210 161 A C 1.215 178.763 177.584 -0.060 0.000 1.188 161 A CA 0.277 52.319 52.037 0.010 0.000 0.731 161 A CB -0.389 18.625 19.000 0.024 0.000 0.858 161 A HN 0.118 nan 8.150 nan 0.000 0.464 162 T N 2.770 117.230 114.554 -0.156 0.000 2.784 162 T HA 0.355 4.705 4.350 0.000 0.000 0.291 162 T C 0.505 175.064 174.700 -0.234 0.000 0.942 162 T CA 0.659 62.619 62.100 -0.234 0.000 1.161 162 T CB 0.120 68.718 68.868 -0.451 0.000 0.885 162 T HN 0.559 nan 8.240 nan 0.000 0.534 163 T N 1.996 116.462 114.554 -0.147 0.000 2.922 163 T HA 0.332 4.682 4.350 0.000 0.000 0.285 163 T C -1.836 172.784 174.700 -0.133 0.000 1.005 163 T CA -2.203 59.828 62.100 -0.115 0.000 1.061 163 T CB 1.282 70.115 68.868 -0.057 0.000 1.007 163 T HN 0.076 nan 8.240 nan 0.000 0.502 164 P HA -0.125 nan 4.420 nan 0.000 0.217 164 P C 1.455 178.727 177.300 -0.045 0.000 1.148 164 P CA 0.916 63.962 63.100 -0.090 0.000 0.828 164 P CB 0.124 31.787 31.700 -0.062 0.000 0.783 165 E N 0.298 120.481 120.200 -0.030 0.000 2.072 165 E HA -0.222 4.128 4.350 0.000 0.000 0.191 165 E C 1.707 178.317 176.600 0.018 0.000 0.985 165 E CA 1.179 57.577 56.400 -0.005 0.000 0.801 165 E CB -0.196 29.499 29.700 -0.008 0.000 0.750 165 E HN 0.312 nan 8.360 nan 0.000 0.452 166 E N 0.355 120.564 120.200 0.014 0.000 2.077 166 E HA -0.174 4.176 4.350 0.000 0.000 0.193 166 E C 2.089 178.812 176.600 0.206 0.000 0.989 166 E CA 0.901 57.348 56.400 0.079 0.000 0.800 166 E CB -0.156 29.589 29.700 0.075 0.000 0.746 166 E HN 0.330 nan 8.360 nan 0.000 0.452 167 A N 1.741 124.595 122.820 0.057 0.000 1.908 167 A HA -0.209 4.111 4.320 0.000 0.000 0.218 167 A C 2.094 179.860 177.584 0.303 0.000 1.181 167 A CA 1.387 53.483 52.037 0.098 0.000 0.627 167 A CB -0.412 18.471 19.000 -0.196 0.000 0.818 167 A HN 0.085 nan 8.150 nan 0.000 0.445 168 R N -0.623 119.972 120.500 0.158 0.000 2.115 168 R HA -0.019 4.321 4.340 0.000 0.000 0.230 168 R C 2.449 178.845 176.300 0.159 0.000 1.111 168 R CA 1.011 57.197 56.100 0.142 0.000 0.976 168 R CB -0.452 29.890 30.300 0.069 0.000 0.870 168 R HN 0.518 nan 8.270 nan 0.000 0.445 169 A N 0.496 123.398 122.820 0.137 0.000 1.902 169 A HA -0.175 4.145 4.320 0.000 0.000 0.217 169 A C 1.693 179.392 177.584 0.192 0.000 1.181 169 A CA 1.051 53.142 52.037 0.089 0.000 0.623 169 A CB -0.803 18.181 19.000 -0.025 0.000 0.818 169 A HN 0.448 nan 8.150 nan 0.000 0.443 170 W N -0.373 121.078 121.300 0.250 0.000 2.425 170 W HA 0.027 4.687 4.660 0.000 0.000 0.277 170 W C 2.653 179.320 176.519 0.246 0.000 1.231 170 W CA 1.038 58.550 57.345 0.278 0.000 1.248 170 W CB 0.003 29.640 29.460 0.295 0.000 1.117 170 W HN 0.400 nan 8.180 nan 0.000 0.568 171 A N 0.502 123.565 122.820 0.406 0.000 1.972 171 A HA -0.183 4.137 4.320 0.000 0.000 0.219 171 A C 1.902 179.578 177.584 0.152 0.000 1.169 171 A CA 1.293 53.474 52.037 0.241 0.000 0.635 171 A CB -0.594 18.511 19.000 0.174 0.000 0.810 171 A HN 0.308 nan 8.150 nan 0.000 0.446 172 R N -2.044 118.523 120.500 0.112 0.000 2.237 172 R HA -0.095 4.245 4.340 0.000 0.000 0.219 172 R C 0.612 176.778 176.300 -0.224 0.000 1.080 172 R CA 1.188 57.236 56.100 -0.086 0.000 0.995 172 R CB -0.263 29.924 30.300 -0.188 0.000 0.875 172 R HN 0.711 nan 8.270 nan 0.000 0.462 173 Y N -0.957 119.383 120.300 0.067 0.000 2.485 173 Y HA 0.229 4.779 4.550 0.000 0.000 0.260 173 Y C 1.486 177.441 175.900 0.092 0.000 1.173 173 Y CA 0.355 58.501 58.100 0.076 0.000 1.252 173 Y CB 1.156 39.678 38.460 0.105 0.000 1.123 173 Y HN 0.224 nan 8.280 nan 0.000 0.524 174 G N -0.484 108.418 108.800 0.169 0.000 2.179 174 G HA2 -0.251 3.709 3.960 0.000 0.000 0.220 174 G HA3 -0.251 3.709 3.960 0.000 0.000 0.220 174 G C -0.177 174.776 174.900 0.088 0.000 0.990 174 G CA -0.080 45.083 45.100 0.105 0.000 0.646 174 G HN 0.038 nan 8.290 nan 0.000 0.517 175 V N 2.621 122.615 119.914 0.133 0.000 2.446 175 V HA 0.297 4.417 4.120 0.000 0.000 0.276 175 V C 1.907 178.018 176.094 0.030 0.000 1.030 175 V CA 0.387 62.700 62.300 0.020 0.000 1.033 175 V CB 1.079 32.877 31.823 -0.042 0.000 0.993 175 V HN 0.329 nan 8.190 nan 0.000 0.477 176 L N 4.067 125.280 121.223 -0.016 0.000 2.162 176 L HA 0.363 4.703 4.340 0.000 0.000 0.205 176 L C 0.991 177.882 176.870 0.034 0.000 1.086 176 L CA 1.233 56.081 54.840 0.013 0.000 0.778 176 L CB -0.095 41.961 42.059 -0.004 0.000 0.928 176 L HN 0.792 nan 8.230 nan 0.000 0.446 177 A N -1.501 121.307 122.820 -0.019 0.000 2.601 177 A HA 0.624 4.944 4.320 0.000 0.000 0.291 177 A C -1.825 175.718 177.584 -0.067 0.000 1.075 177 A CA -0.563 51.511 52.037 0.063 0.000 0.671 177 A CB 0.693 19.726 19.000 0.055 0.000 1.277 177 A HN -0.093 nan 8.150 nan 0.000 0.417 178 F N 0.721 120.626 119.950 -0.076 0.000 2.450 178 F HA 0.661 5.188 4.527 0.000 0.000 0.332 178 F C 0.641 176.398 175.800 -0.071 0.000 1.093 178 F CA 0.045 57.981 58.000 -0.107 0.000 1.003 178 F CB 2.152 41.067 39.000 -0.142 0.000 1.151 178 F HN 0.818 nan 8.300 nan 0.000 0.474 179 E N 0.511 120.744 120.200 0.055 0.000 2.442 179 E HA 0.585 4.935 4.350 0.000 0.000 0.271 179 E C -1.190 175.415 176.600 0.009 0.000 1.002 179 E CA -0.810 55.609 56.400 0.032 0.000 0.864 179 E CB 1.438 31.124 29.700 -0.024 0.000 1.573 179 E HN 0.477 nan 8.360 nan 0.000 0.456 180 M N 0.113 119.706 119.600 -0.011 0.000 2.911 180 M HA 0.393 4.873 4.480 0.000 0.000 0.381 180 M C -0.645 175.619 176.300 -0.060 0.000 1.287 180 M CA 0.150 55.437 55.300 -0.022 0.000 0.858 180 M CB 0.560 33.166 32.600 0.008 0.000 1.385 180 M HN 0.589 nan 8.290 nan 0.000 0.504 181 E N -0.299 119.840 120.200 -0.103 0.000 2.629 181 E HA 0.278 4.628 4.350 0.000 0.000 0.196 181 E C 1.716 178.186 176.600 -0.218 0.000 0.977 181 E CA 0.616 56.940 56.400 -0.126 0.000 1.663 181 E CB -0.033 29.605 29.700 -0.103 0.000 2.258 181 E HN 0.319 nan 8.360 nan 0.000 1.079 182 A N 1.452 124.085 122.820 -0.311 0.000 1.884 182 A HA -0.310 4.010 4.320 0.000 0.000 0.219 182 A C 2.269 179.415 177.584 -0.729 0.000 1.197 182 A CA 2.921 54.580 52.037 -0.630 0.000 0.637 182 A CB -1.226 17.401 19.000 -0.622 0.000 0.827 182 A HN 0.337 nan 8.150 nan 0.000 0.450 183 S N 0.374 115.843 115.700 -0.386 0.000 2.372 183 S HA -0.150 4.320 4.470 0.000 0.000 0.227 183 S C 2.106 176.645 174.600 -0.102 0.000 1.044 183 S CA 1.967 60.058 58.200 -0.182 0.000 1.050 183 S CB -1.008 62.144 63.200 -0.080 0.000 0.901 183 S HN 1.175 nan 8.310 nan 0.000 0.447 184 A N 1.635 124.388 122.820 -0.112 0.000 1.930 184 A HA 0.130 4.450 4.320 0.000 0.000 0.217 184 A C 2.246 179.780 177.584 -0.084 0.000 1.175 184 A CA 1.469 53.467 52.037 -0.065 0.000 0.627 184 A CB -0.816 18.167 19.000 -0.028 0.000 0.815 184 A HN 0.547 nan 8.150 nan 0.000 0.443 185 L N -0.843 120.298 121.223 -0.137 0.000 2.017 185 L HA -0.069 4.271 4.340 0.000 0.000 0.208 185 L C 2.255 179.190 176.870 0.108 0.000 1.073 185 L CA 1.860 56.659 54.840 -0.068 0.000 0.745 185 L CB -0.761 41.212 42.059 -0.143 0.000 0.894 185 L HN 0.469 nan 8.230 nan 0.000 0.432 186 F N -1.377 118.572 119.950 -0.003 0.000 2.102 186 F HA -0.247 4.280 4.527 0.000 0.000 0.298 186 F C 2.384 178.209 175.800 0.042 0.000 1.105 186 F CA 0.706 58.717 58.000 0.017 0.000 1.239 186 F CB -0.420 38.591 39.000 0.018 0.000 0.991 186 F HN 0.242 nan 8.300 nan 0.000 0.474 187 L N 0.937 122.306 121.223 0.243 0.000 1.989 187 L HA -0.214 4.126 4.340 0.000 0.000 0.211 187 L C 2.034 178.866 176.870 -0.063 0.000 1.071 187 L CA 1.747 56.641 54.840 0.089 0.000 0.749 187 L CB -0.944 41.069 42.059 -0.078 0.000 0.890 187 L HN 0.102 nan 8.230 nan 0.000 0.431 188 L N -0.528 120.620 121.223 -0.125 0.000 2.191 188 L HA -0.120 4.220 4.340 0.000 0.000 0.212 188 L C 2.492 179.327 176.870 -0.058 0.000 1.103 188 L CA 0.985 55.721 54.840 -0.173 0.000 0.769 188 L CB -1.314 40.634 42.059 -0.186 0.000 0.908 188 L HN 0.523 nan 8.230 nan 0.000 0.438 189 G N -0.278 108.535 108.800 0.022 0.000 2.421 189 G HA2 -0.229 3.731 3.960 0.000 0.000 0.216 189 G HA3 -0.229 3.731 3.960 0.000 0.000 0.216 189 G C 1.747 176.663 174.900 0.026 0.000 1.171 189 G CA 0.268 45.395 45.100 0.045 0.000 0.775 189 G HN 0.155 nan 8.290 nan 0.000 0.543 190 R N -0.219 120.304 120.500 0.039 0.000 2.090 190 R HA 0.190 4.530 4.340 0.000 0.000 0.228 190 R C 2.667 178.967 176.300 -0.000 0.000 1.110 190 R CA 0.703 56.825 56.100 0.037 0.000 0.973 190 R CB -0.687 29.673 30.300 0.100 0.000 0.869 190 R HN 0.418 nan 8.270 nan 0.000 0.440 191 M N 0.187 119.760 119.600 -0.045 0.000 2.175 191 M HA -0.091 4.389 4.480 0.000 0.000 0.264 191 M C 1.476 177.747 176.300 -0.049 0.000 1.063 191 M CA 1.499 56.755 55.300 -0.073 0.000 1.119 191 M CB 0.020 32.526 32.600 -0.158 0.000 1.377 191 M HN -0.123 nan 8.290 nan 0.000 0.415 192 R N -0.201 120.273 120.500 -0.044 0.000 2.334 192 R HA 0.246 4.586 4.340 0.000 0.000 0.216 192 R C 0.886 177.181 176.300 -0.007 0.000 0.905 192 R CA 0.596 56.682 56.100 -0.025 0.000 1.064 192 R CB -0.288 29.996 30.300 -0.027 0.000 1.046 192 R HN 0.524 nan 8.270 nan 0.000 0.508 193 G N 1.525 110.324 108.800 -0.002 0.000 2.225 193 G HA2 -0.256 3.704 3.960 0.000 0.000 0.264 193 G HA3 -0.256 3.704 3.960 0.000 0.000 0.264 193 G C 0.153 175.059 174.900 0.010 0.000 1.060 193 G CA 0.469 45.572 45.100 0.006 0.000 0.833 193 G HN 0.277 nan 8.290 nan 0.000 0.498 194 V N -4.012 115.911 119.914 0.014 0.000 3.113 194 V HA 0.901 5.021 4.120 0.000 0.000 0.316 194 V C 0.334 176.446 176.094 0.029 0.000 1.125 194 V CA -1.964 60.349 62.300 0.021 0.000 1.026 194 V CB 1.620 33.456 31.823 0.023 0.000 1.080 194 V HN 0.342 nan 8.190 nan 0.000 0.444 195 R N 1.361 121.881 120.500 0.034 0.000 2.312 195 R HA 0.703 5.043 4.340 0.000 0.000 0.311 195 R C -0.168 176.169 176.300 0.061 0.000 1.004 195 R CA 0.012 56.135 56.100 0.039 0.000 0.902 195 R CB 1.605 31.927 30.300 0.036 0.000 1.073 195 R HN 1.074 nan 8.270 nan 0.000 0.457 196 T N -1.240 113.359 114.554 0.075 0.000 2.883 196 T HA 0.856 5.206 4.350 0.000 0.000 0.296 196 T C -0.068 174.722 174.700 0.149 0.000 1.117 196 T CA -0.877 61.306 62.100 0.138 0.000 1.006 196 T CB 2.486 71.490 68.868 0.226 0.000 1.191 196 T HN 0.683 nan 8.240 nan 0.000 0.508 197 G N -0.797 108.158 108.800 0.259 0.000 2.576 197 G HA2 0.791 4.751 3.960 0.000 0.000 0.290 197 G HA3 0.791 4.751 3.960 0.000 0.000 0.290 197 G C -1.788 173.331 174.900 0.365 0.000 1.442 197 G CA -0.434 44.840 45.100 0.291 0.000 0.792 197 G HN 1.363 nan 8.290 nan 0.000 0.491 198 A N -0.167 122.871 122.820 0.363 0.000 2.517 198 A HA 0.807 5.127 4.320 0.000 0.000 0.297 198 A C -1.419 176.265 177.584 0.166 0.000 1.050 198 A CA -0.480 51.692 52.037 0.226 0.000 0.694 198 A CB 1.525 20.629 19.000 0.172 0.000 1.277 198 A HN 1.600 nan 8.150 nan 0.000 0.400 199 I N 2.153 122.776 120.570 0.089 0.000 2.647 199 I HA 0.754 4.924 4.170 0.000 0.000 0.295 199 I C -1.817 174.321 176.117 0.035 0.000 1.078 199 I CA -1.181 60.156 61.300 0.061 0.000 1.048 199 I CB 1.681 39.706 38.000 0.041 0.000 1.239 199 I HN 0.664 nan 8.210 nan 0.000 0.421 200 L N 6.659 127.899 121.223 0.029 0.000 2.350 200 L HA 0.845 5.185 4.340 0.000 0.000 0.260 200 L C -0.613 176.265 176.870 0.013 0.000 1.015 200 L CA -0.626 54.223 54.840 0.014 0.000 0.821 200 L CB 1.949 44.013 42.059 0.010 0.000 1.370 200 L HN 0.627 nan 8.230 nan 0.000 0.416 201 A N 1.203 124.025 122.820 0.003 0.000 2.304 201 A HA 0.704 5.024 4.320 0.000 0.000 0.314 201 A C -0.613 176.970 177.584 -0.002 0.000 1.187 201 A CA -0.594 51.442 52.037 -0.003 0.000 0.810 201 A CB 1.112 20.102 19.000 -0.017 0.000 1.183 201 A HN 0.383 nan 8.150 nan 0.000 0.487 202 V N 3.316 123.232 119.914 0.004 0.000 2.485 202 V HA 0.106 4.226 4.120 0.000 0.000 0.287 202 V C 1.389 177.483 176.094 0.000 0.000 1.022 202 V CA 1.218 63.523 62.300 0.008 0.000 1.067 202 V CB 0.714 32.544 31.823 0.012 0.000 0.967 202 V HN 1.106 nan 8.190 nan 0.000 0.479 203 S N 2.847 118.550 115.700 0.005 0.000 2.523 203 S HA 0.200 4.670 4.470 0.000 0.000 0.217 203 S C 0.401 175.004 174.600 0.005 0.000 0.996 203 S CA -0.101 58.098 58.200 -0.003 0.000 0.921 203 S CB -0.052 63.145 63.200 -0.006 0.000 0.829 203 S HN 0.941 nan 8.310 nan 0.000 0.495 204 N N 0.560 119.268 118.700 0.013 0.000 4.104 204 N HA 0.103 4.843 4.740 0.000 0.000 0.214 204 N C -2.025 173.491 175.510 0.010 0.000 1.270 204 N CA -0.707 52.350 53.050 0.012 0.000 0.894 204 N CB 0.646 39.145 38.487 0.020 0.000 1.495 204 N HN 0.070 nan 8.380 nan 0.000 0.506 205 R N 0.977 121.479 120.500 0.003 0.000 2.196 205 R HA 0.427 4.767 4.340 0.000 0.000 0.340 205 R C 0.364 176.650 176.300 -0.023 0.000 1.043 205 R CA -0.698 55.402 56.100 0.000 0.000 0.883 205 R CB 0.662 30.963 30.300 0.002 0.000 1.078 205 R HN 0.498 nan 8.270 nan 0.000 0.462 206 I N 2.353 122.897 120.570 -0.044 0.000 3.163 206 I HA -0.329 3.841 4.170 0.000 0.000 0.332 206 I C 1.390 177.443 176.117 -0.105 0.000 1.205 206 I CA 1.776 63.006 61.300 -0.117 0.000 1.473 206 I CB 0.089 37.974 38.000 -0.190 0.000 1.300 206 I HN 1.094 nan 8.210 nan 0.000 0.532 207 G N 4.148 112.876 108.800 -0.121 0.000 2.231 207 G HA2 -0.177 3.783 3.960 0.000 0.000 0.206 207 G HA3 -0.177 3.783 3.960 0.000 0.000 0.206 207 G C -0.072 174.809 174.900 -0.031 0.000 0.996 207 G CA -0.434 44.619 45.100 -0.078 0.000 0.645 207 G HN 0.608 nan 8.290 nan 0.000 0.498 208 D N 1.326 121.715 120.400 -0.019 0.000 2.389 208 D HA 0.402 5.042 4.640 0.000 0.000 0.247 208 D C -0.964 175.359 176.300 0.038 0.000 1.128 208 D CA -0.841 53.164 54.000 0.009 0.000 0.884 208 D CB 1.418 42.224 40.800 0.010 0.000 1.194 208 D HN 0.093 nan 8.370 nan 0.000 0.441 209 P HA -0.042 nan 4.420 nan 0.000 0.221 209 P C -0.163 177.180 177.300 0.071 0.000 1.150 209 P CA 1.041 64.180 63.100 0.065 0.000 0.800 209 P CB 0.530 32.255 31.700 0.042 0.000 0.787 210 E N -1.878 118.351 120.200 0.049 0.000 2.445 210 E HA 0.432 4.782 4.350 0.000 0.000 0.273 210 E C -0.525 176.094 176.600 0.031 0.000 0.961 210 E CA -0.995 55.429 56.400 0.040 0.000 0.807 210 E CB 1.272 30.985 29.700 0.022 0.000 1.362 210 E HN -0.150 nan 8.360 nan 0.000 0.453 211 L N 0.879 122.114 121.223 0.018 0.000 2.469 211 L HA 0.513 4.853 4.340 0.000 0.000 0.253 211 L C 0.555 177.423 176.870 -0.003 0.000 1.143 211 L CA -0.762 54.082 54.840 0.008 0.000 0.804 211 L CB 0.417 42.472 42.059 -0.007 0.000 1.214 211 L HN 0.618 nan 8.230 nan 0.000 0.476 212 A N 1.272 124.086 122.820 -0.009 0.000 2.386 212 A HA 0.366 4.686 4.320 0.000 0.000 0.246 212 A C -2.153 175.417 177.584 -0.023 0.000 1.089 212 A CA -0.971 51.058 52.037 -0.014 0.000 0.790 212 A CB -0.746 18.245 19.000 -0.016 0.000 1.042 212 A HN 0.523 nan 8.150 nan 0.000 0.497 213 P HA 0.116 nan 4.420 nan 0.000 0.267 213 P C -2.186 175.091 177.300 -0.038 0.000 1.205 213 P CA -0.914 62.171 63.100 -0.025 0.000 0.765 213 P CB 0.202 31.890 31.700 -0.019 0.000 0.828 214 P HA -0.290 nan 4.420 nan 0.000 0.219 214 P C 1.561 178.818 177.300 -0.071 0.000 1.159 214 P CA 1.832 64.891 63.100 -0.068 0.000 0.944 214 P CB -0.006 31.657 31.700 -0.062 0.000 0.792 215 E N -0.611 119.559 120.200 -0.050 0.000 2.085 215 E HA -0.155 4.195 4.350 0.000 0.000 0.194 215 E C 1.851 178.425 176.600 -0.042 0.000 0.994 215 E CA 1.298 57.673 56.400 -0.042 0.000 0.801 215 E CB -1.162 28.524 29.700 -0.024 0.000 0.743 215 E HN -0.041 nan 8.360 nan 0.000 0.453 216 V N 0.447 120.339 119.914 -0.037 0.000 2.295 216 V HA -0.226 3.894 4.120 0.000 0.000 0.246 216 V C 2.418 178.484 176.094 -0.046 0.000 1.049 216 V CA 1.760 64.040 62.300 -0.033 0.000 1.024 216 V CB -0.583 31.225 31.823 -0.025 0.000 0.648 216 V HN 0.306 nan 8.190 nan 0.000 0.447 217 L N -0.204 120.984 121.223 -0.057 0.000 2.156 217 L HA -0.088 4.252 4.340 0.000 0.000 0.208 217 L C 2.344 179.151 176.870 -0.104 0.000 1.095 217 L CA 1.862 56.659 54.840 -0.071 0.000 0.770 217 L CB -0.740 41.275 42.059 -0.073 0.000 0.914 217 L HN 0.342 nan 8.230 nan 0.000 0.439 218 Q N -0.178 119.547 119.800 -0.126 0.000 2.079 218 Q HA -0.234 4.106 4.340 0.000 0.000 0.200 218 Q C 2.132 178.071 176.000 -0.103 0.000 0.974 218 Q CA 1.845 57.538 55.803 -0.184 0.000 0.840 218 Q CB -0.189 28.430 28.738 -0.198 0.000 0.898 218 Q HN 0.545 nan 8.270 nan 0.000 0.430 219 E N -0.758 119.407 120.200 -0.058 0.000 2.077 219 E HA -0.088 4.262 4.350 0.000 0.000 0.193 219 E C 1.779 178.342 176.600 -0.062 0.000 0.989 219 E CA 1.736 58.115 56.400 -0.035 0.000 0.800 219 E CB -0.937 28.738 29.700 -0.040 0.000 0.746 219 E HN 0.429 nan 8.360 nan 0.000 0.452 220 G N 0.050 108.809 108.800 -0.068 0.000 2.404 220 G HA2 -0.206 3.754 3.960 0.000 0.000 0.215 220 G HA3 -0.206 3.754 3.960 0.000 0.000 0.215 220 G C 1.753 176.624 174.900 -0.048 0.000 1.174 220 G CA 0.983 46.042 45.100 -0.069 0.000 0.780 220 G HN 0.258 nan 8.290 nan 0.000 0.537 221 V N 0.710 120.595 119.914 -0.048 0.000 2.343 221 V HA -0.157 3.963 4.120 0.000 0.000 0.247 221 V C 2.789 178.939 176.094 0.094 0.000 1.051 221 V CA 2.086 64.372 62.300 -0.023 0.000 1.036 221 V CB -0.450 31.299 31.823 -0.123 0.000 0.654 221 V HN 0.398 nan 8.190 nan 0.000 0.451 222 R N -0.041 120.561 120.500 0.169 0.000 2.096 222 R HA -0.152 4.188 4.340 0.000 0.000 0.235 222 R C 2.525 178.963 176.300 0.230 0.000 1.127 222 R CA 1.558 57.921 56.100 0.438 0.000 0.968 222 R CB -0.128 30.441 30.300 0.448 0.000 0.861 222 R HN 0.448 nan 8.270 nan 0.000 0.440 223 R N 0.091 120.596 120.500 0.009 0.000 2.075 223 R HA -0.104 4.236 4.340 0.000 0.000 0.232 223 R C 2.449 178.761 176.300 0.020 0.000 1.126 223 R CA 1.731 57.740 56.100 -0.153 0.000 0.963 223 R CB -0.381 29.591 30.300 -0.546 0.000 0.858 223 R HN 0.320 nan 8.270 nan 0.000 0.435 224 M N 0.802 120.403 119.600 0.001 0.000 2.080 224 M HA -0.171 4.309 4.480 0.000 0.000 0.260 224 M C 1.846 178.123 176.300 -0.039 0.000 1.068 224 M CA 1.761 57.066 55.300 0.007 0.000 1.109 224 M CB -0.014 32.585 32.600 -0.000 0.000 1.342 224 M HN -0.024 nan 8.290 nan 0.000 0.405 225 V N 0.788 120.643 119.914 -0.098 0.000 2.343 225 V HA -0.262 3.858 4.120 0.000 0.000 0.247 225 V C 2.345 178.188 176.094 -0.419 0.000 1.051 225 V CA 2.370 64.482 62.300 -0.314 0.000 1.036 225 V CB -0.996 30.503 31.823 -0.539 0.000 0.654 225 V HN 0.620 nan 8.190 nan 0.000 0.451 226 E N 0.044 120.094 120.200 -0.250 0.000 2.077 226 E HA -0.189 4.161 4.350 0.000 0.000 0.193 226 E C 2.217 178.807 176.600 -0.017 0.000 0.989 226 E CA 1.586 57.948 56.400 -0.063 0.000 0.800 226 E CB -0.009 29.864 29.700 0.288 0.000 0.746 226 E HN 0.418 nan 8.360 nan 0.000 0.452 227 V N 1.272 121.216 119.914 0.050 0.000 2.287 227 V HA -0.298 3.822 4.120 0.000 0.000 0.248 227 V C 2.460 178.532 176.094 -0.037 0.000 1.053 227 V CA 1.903 64.221 62.300 0.030 0.000 1.027 227 V CB -0.851 31.008 31.823 0.060 0.000 0.646 227 V HN 0.443 nan 8.190 nan 0.000 0.447 228 A N -0.329 122.445 122.820 -0.076 0.000 1.877 228 A HA -0.174 4.146 4.320 0.000 0.000 0.216 228 A C 2.231 179.734 177.584 -0.135 0.000 1.186 228 A CA 1.918 53.901 52.037 -0.089 0.000 0.620 228 A CB -0.577 18.363 19.000 -0.099 0.000 0.822 228 A HN 0.497 nan 8.150 nan 0.000 0.443 229 L N -0.644 120.418 121.223 -0.268 0.000 2.046 229 L HA -0.175 4.165 4.340 0.000 0.000 0.208 229 L C 2.674 179.435 176.870 -0.181 0.000 1.077 229 L CA 1.317 55.910 54.840 -0.412 0.000 0.747 229 L CB -0.523 40.927 42.059 -1.014 0.000 0.896 229 L HN 0.370 nan 8.230 nan 0.000 0.432 230 E N 0.103 120.264 120.200 -0.066 0.000 2.106 230 E HA -0.181 4.169 4.350 0.000 0.000 0.192 230 E C 2.256 178.883 176.600 0.044 0.000 0.984 230 E CA 1.317 57.767 56.400 0.085 0.000 0.806 230 E CB -0.123 29.623 29.700 0.077 0.000 0.750 230 E HN 0.482 nan 8.360 nan 0.000 0.458 231 A N 1.330 124.151 122.820 0.002 0.000 1.898 231 A HA -0.123 4.197 4.320 0.000 0.000 0.216 231 A C 2.525 180.119 177.584 0.018 0.000 1.181 231 A CA 1.618 53.659 52.037 0.006 0.000 0.620 231 A CB -0.719 18.280 19.000 -0.002 0.000 0.819 231 A HN 0.203 nan 8.150 nan 0.000 0.442 232 V N -2.800 117.122 119.914 0.012 0.000 2.759 232 V HA -0.107 4.013 4.120 0.000 0.000 0.256 232 V C 2.000 178.121 176.094 0.046 0.000 1.080 232 V CA 1.595 63.911 62.300 0.026 0.000 1.101 232 V CB -0.833 31.000 31.823 0.017 0.000 0.698 232 V HN 0.239 nan 8.190 nan 0.000 0.477 233 L N 0.171 121.434 121.223 0.065 0.000 2.395 233 L HA 0.156 4.496 4.340 0.000 0.000 0.218 233 L C 2.488 179.389 176.870 0.051 0.000 1.130 233 L CA 1.231 56.118 54.840 0.079 0.000 0.826 233 L CB -0.798 41.337 42.059 0.127 0.000 0.941 233 L HN 0.302 nan 8.230 nan 0.000 0.451 234 E N -0.525 119.699 120.200 0.039 0.000 2.358 234 E HA 0.044 4.394 4.350 0.000 0.000 0.195 234 E C 0.668 177.280 176.600 0.020 0.000 1.010 234 E CA 0.414 56.828 56.400 0.023 0.000 0.856 234 E CB 0.106 29.813 29.700 0.013 0.000 0.795 234 E HN 0.349 nan 8.360 nan 0.000 0.504 235 V N 0.000 119.930 119.914 0.026 0.000 2.409 235 V HA 0.000 4.120 4.120 0.000 0.000 0.244 235 V CA 0.000 62.315 62.300 0.025 0.000 1.235 235 V CB 0.000 31.840 31.823 0.028 0.000 1.184 235 V HN 0.000 nan 8.190 nan 0.000 0.556