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_B 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 0.000 174.580 174.600 -0.034 0.000 1.055 2 S CA 0.000 58.179 58.200 -0.035 0.000 1.107 2 S CB 0.000 63.113 63.200 -0.144 0.000 0.593 3 P HA 0.336 nan 4.420 nan 0.000 0.269 3 P C 0.940 178.240 177.300 0.000 0.000 1.217 3 P CA -0.358 62.753 63.100 0.018 0.000 0.783 3 P CB 0.291 32.020 31.700 0.047 0.000 0.898 4 I N 0.484 121.060 120.570 0.011 0.000 2.179 4 I HA -0.288 3.882 4.170 0.000 0.000 0.242 4 I C 1.624 177.623 176.117 -0.197 0.000 1.088 4 I CA 1.688 62.905 61.300 -0.139 0.000 1.357 4 I CB -0.433 37.419 38.000 -0.245 0.000 1.051 4 I HN 0.501 nan 8.210 nan 0.000 0.409 5 H N -0.759 118.378 119.070 0.112 0.000 2.355 5 H HA 0.191 4.747 4.556 0.000 0.000 0.312 5 H C 0.547 175.998 175.328 0.204 0.000 1.051 5 H CA 0.184 56.341 56.048 0.182 0.000 1.389 5 H CB -0.261 29.560 29.762 0.098 0.000 1.455 5 H HN -0.079 nan 8.280 nan 0.000 0.575 6 V N 3.430 123.500 119.914 0.261 0.000 2.313 6 V HA 0.116 4.236 4.120 0.000 0.000 0.252 6 V C 0.223 176.386 176.094 0.114 0.000 1.112 6 V CA -0.042 62.377 62.300 0.199 0.000 0.984 6 V CB -0.035 31.897 31.823 0.183 0.000 1.157 6 V HN 0.323 nan 8.190 nan 0.000 0.493 7 R N 3.608 124.161 120.500 0.089 0.000 4.154 7 R HA 0.496 4.836 4.340 0.000 0.000 0.186 7 R C 0.397 176.628 176.300 -0.115 0.000 1.750 7 R CA 0.066 56.134 56.100 -0.053 0.000 1.431 7 R CB 0.200 30.433 30.300 -0.112 0.000 1.383 7 R HN 0.763 nan 8.270 nan 0.000 0.788 8 A N 0.994 123.716 122.820 -0.164 0.000 2.464 8 A HA 0.629 4.949 4.320 0.000 0.000 0.268 8 A C -0.859 176.428 177.584 -0.495 0.000 1.244 8 A CA -0.718 51.171 52.037 -0.246 0.000 0.871 8 A CB 1.114 20.013 19.000 -0.169 0.000 1.400 8 A HN 0.432 nan 8.150 nan 0.000 0.455 9 H N -1.135 117.890 119.070 -0.076 0.000 2.637 9 H HA 0.308 4.864 4.556 0.000 0.000 0.363 9 H C -2.051 173.219 175.328 -0.097 0.000 1.131 9 H CA -1.640 54.370 56.048 -0.064 0.000 1.183 9 H CB 1.628 31.366 29.762 -0.039 0.000 1.637 9 H HN 0.265 nan 8.280 nan 0.000 0.531 10 P HA -0.221 nan 4.420 nan 0.000 0.222 10 P C 1.467 178.753 177.300 -0.024 0.000 1.155 10 P CA 2.292 65.389 63.100 -0.005 0.000 0.890 10 P CB 0.030 31.739 31.700 0.016 0.000 0.790 11 G N -1.506 107.296 108.800 0.003 0.000 2.598 11 G HA2 -0.174 3.786 3.960 0.000 0.000 0.215 11 G HA3 -0.174 3.786 3.960 0.000 0.000 0.215 11 G C 1.102 175.984 174.900 -0.029 0.000 1.131 11 G CA 0.463 45.558 45.100 -0.008 0.000 0.785 11 G HN 0.225 nan 8.290 nan 0.000 0.539 12 D N -0.069 120.283 120.400 -0.080 0.000 2.183 12 D HA 0.012 4.652 4.640 0.000 0.000 0.205 12 D C 1.046 177.170 176.300 -0.294 0.000 0.962 12 D CA 0.399 54.297 54.000 -0.169 0.000 0.849 12 D CB 0.324 40.948 40.800 -0.292 0.000 0.978 12 D HN 0.100 nan 8.370 nan 0.000 0.488 13 V N 1.461 121.184 119.914 -0.319 0.000 2.439 13 V HA 0.502 4.622 4.120 0.000 0.000 0.282 13 V C 0.535 176.585 176.094 -0.072 0.000 1.039 13 V CA -0.937 61.215 62.300 -0.247 0.000 0.913 13 V CB 1.351 33.020 31.823 -0.256 0.000 0.983 13 V HN 0.062 nan 8.190 nan 0.000 0.460 14 A N 3.218 126.037 122.820 -0.003 0.000 2.272 14 A HA 0.425 4.745 4.320 0.000 0.000 0.275 14 A C 1.006 178.605 177.584 0.024 0.000 1.096 14 A CA -0.310 51.743 52.037 0.026 0.000 0.822 14 A CB 0.246 19.281 19.000 0.059 0.000 1.088 14 A HN 0.918 nan 8.150 nan 0.000 0.495 15 E N -0.186 120.030 120.200 0.027 0.000 2.204 15 E HA -0.098 4.252 4.350 0.000 0.000 0.194 15 E C 0.086 176.707 176.600 0.035 0.000 0.989 15 E CA 0.778 57.194 56.400 0.026 0.000 0.824 15 E CB 0.049 29.764 29.700 0.025 0.000 0.756 15 E HN 0.480 nan 8.360 nan 0.000 0.477 16 R N 0.837 121.362 120.500 0.043 0.000 2.294 16 R HA 0.390 4.730 4.340 0.000 0.000 0.319 16 R C -1.065 175.267 176.300 0.054 0.000 0.984 16 R CA -0.373 55.754 56.100 0.045 0.000 0.861 16 R CB 1.935 32.262 30.300 0.045 0.000 1.104 16 R HN -0.151 nan 8.270 nan 0.000 0.451 17 V N 4.592 124.537 119.914 0.052 0.000 2.760 17 V HA 0.392 4.512 4.120 0.000 0.000 0.309 17 V C -0.249 175.874 176.094 0.050 0.000 1.077 17 V CA -0.916 61.425 62.300 0.068 0.000 0.910 17 V CB 2.237 34.110 31.823 0.084 0.000 1.008 17 V HN 0.594 nan 8.190 nan 0.000 0.424 18 L N 4.770 126.021 121.223 0.045 0.000 2.325 18 L HA 0.579 4.919 4.340 0.000 0.000 0.279 18 L C -0.697 176.205 176.870 0.053 0.000 1.054 18 L CA -0.557 54.296 54.840 0.022 0.000 0.804 18 L CB 1.694 43.740 42.059 -0.021 0.000 1.200 18 L HN 0.505 nan 8.230 nan 0.000 0.436 19 L N 5.544 126.793 121.223 0.043 0.000 2.435 19 L HA 0.359 4.699 4.340 0.000 0.000 0.253 19 L C -2.236 174.655 176.870 0.034 0.000 1.087 19 L CA -1.545 53.324 54.840 0.048 0.000 0.950 19 L CB 1.167 43.250 42.059 0.040 0.000 1.304 19 L HN 0.317 nan 8.230 nan 0.000 0.453 20 P HA 0.161 nan 4.420 nan 0.000 0.281 20 P C 0.521 177.832 177.300 0.018 0.000 1.249 20 P CA -0.292 62.828 63.100 0.034 0.000 0.810 20 P CB 2.091 33.828 31.700 0.062 0.000 1.008 21 G N 0.995 109.790 108.800 -0.008 0.000 2.494 21 G HA2 -0.070 3.890 3.960 0.000 0.000 0.216 21 G HA3 -0.070 3.890 3.960 0.000 0.000 0.216 21 G C 0.262 175.132 174.900 -0.048 0.000 1.140 21 G CA 0.357 45.439 45.100 -0.031 0.000 0.801 21 G HN 0.526 nan 8.290 nan 0.000 0.536 22 D N 0.397 120.771 120.400 -0.044 0.000 2.280 22 D HA 0.250 4.890 4.640 0.000 0.000 0.243 22 D C -0.935 175.334 176.300 -0.051 0.000 1.129 22 D CA -2.588 51.369 54.000 -0.071 0.000 0.848 22 D CB 2.129 42.889 40.800 -0.068 0.000 1.107 22 D HN -0.005 nan 8.370 nan 0.000 0.471 23 P HA -0.095 nan 4.420 nan 0.000 0.219 23 P C 1.250 178.559 177.300 0.015 0.000 1.146 23 P CA 0.857 63.867 63.100 -0.150 0.000 0.808 23 P CB 0.224 31.528 31.700 -0.660 0.000 0.779 24 G N 0.236 109.006 108.800 -0.050 0.000 2.421 24 G HA2 -0.210 3.750 3.960 0.000 0.000 0.217 24 G HA3 -0.210 3.750 3.960 0.000 0.000 0.217 24 G C 1.896 176.893 174.900 0.161 0.000 1.143 24 G CA 0.286 45.437 45.100 0.086 0.000 0.784 24 G HN 0.257 nan 8.290 nan 0.000 0.541 25 R N 0.331 120.898 120.500 0.112 0.000 2.119 25 R HA 0.165 4.505 4.340 0.000 0.000 0.222 25 R C 2.823 179.269 176.300 0.242 0.000 1.088 25 R CA 1.135 57.340 56.100 0.175 0.000 0.984 25 R CB -0.258 30.094 30.300 0.088 0.000 0.884 25 R HN 0.257 nan 8.270 nan 0.000 0.447 26 A N 1.135 124.072 122.820 0.195 0.000 1.883 26 A HA -0.241 4.079 4.320 0.000 0.000 0.217 26 A C 2.005 179.596 177.584 0.011 0.000 1.186 26 A CA 1.759 53.908 52.037 0.187 0.000 0.624 26 A CB -0.595 18.598 19.000 0.322 0.000 0.822 26 A HN 0.581 nan 8.150 nan 0.000 0.444 27 E N -1.660 118.585 120.200 0.074 0.000 2.077 27 E HA -0.250 4.100 4.350 0.000 0.000 0.193 27 E C 1.827 178.367 176.600 -0.101 0.000 0.989 27 E CA 1.361 57.621 56.400 -0.233 0.000 0.800 27 E CB -0.327 29.482 29.700 0.182 0.000 0.746 27 E HN 0.750 nan 8.360 nan 0.000 0.452 28 W N 1.355 122.625 121.300 -0.049 0.000 2.338 28 W HA -0.185 4.475 4.660 0.000 0.000 0.304 28 W C 1.812 178.342 176.519 0.019 0.000 1.212 28 W CA 1.873 59.212 57.345 -0.011 0.000 1.264 28 W CB -0.299 29.178 29.460 0.029 0.000 1.142 28 W HN 0.076 nan 8.180 nan 0.000 0.512 29 I N 0.631 121.251 120.570 0.083 0.000 2.179 29 I HA -0.329 3.841 4.170 0.000 0.000 0.242 29 I C 2.660 178.723 176.117 -0.090 0.000 1.088 29 I CA 1.582 62.875 61.300 -0.011 0.000 1.357 29 I CB -1.184 36.861 38.000 0.075 0.000 1.051 29 I HN 0.097 nan 8.210 nan 0.000 0.409 30 A N 0.936 123.641 122.820 -0.192 0.000 1.883 30 A HA -0.253 4.067 4.320 0.000 0.000 0.217 30 A C 2.307 179.782 177.584 -0.180 0.000 1.186 30 A CA 1.936 53.846 52.037 -0.212 0.000 0.624 30 A CB -0.487 18.203 19.000 -0.517 0.000 0.822 30 A HN 0.358 nan 8.150 nan 0.000 0.444 31 K N -1.249 119.002 120.400 -0.249 0.000 2.167 31 K HA -0.017 4.303 4.320 0.000 0.000 0.203 31 K C 1.953 178.379 176.600 -0.291 0.000 1.052 31 K CA 1.499 57.656 56.287 -0.217 0.000 0.956 31 K CB -0.168 32.222 32.500 -0.183 0.000 0.735 31 K HN 0.459 nan 8.250 nan 0.000 0.451 32 T N 0.085 114.346 114.554 -0.489 0.000 2.937 32 T HA 0.015 4.365 4.350 0.000 0.000 0.260 32 T C 1.147 175.426 174.700 -0.702 0.000 1.051 32 T CA 1.009 62.666 62.100 -0.738 0.000 1.141 32 T CB -0.024 67.999 68.868 -1.408 0.000 0.879 32 T HN 0.080 nan 8.240 nan 0.000 0.459 33 F N 0.147 119.932 119.950 -0.274 0.000 2.712 33 F HA 0.449 4.976 4.527 0.000 0.000 0.297 33 F C 0.609 176.438 175.800 0.048 0.000 1.114 33 F CA -0.340 57.612 58.000 -0.079 0.000 1.305 33 F CB 0.243 39.184 39.000 -0.097 0.000 1.086 33 F HN -0.051 nan 8.300 nan 0.000 0.599 34 L N 1.065 122.375 121.223 0.146 0.000 2.360 34 L HA 0.403 4.743 4.340 0.000 0.000 0.271 34 L C -0.159 176.748 176.870 0.062 0.000 1.057 34 L CA -0.968 53.952 54.840 0.134 0.000 0.803 34 L CB 0.771 42.892 42.059 0.104 0.000 1.207 34 L HN -0.117 nan 8.230 nan 0.000 0.445 35 Q N 1.364 121.205 119.800 0.068 0.000 2.241 35 Q HA 0.233 4.573 4.340 0.000 0.000 0.254 35 Q C -0.393 175.632 176.000 0.040 0.000 0.917 35 Q CA -0.329 55.494 55.803 0.033 0.000 0.919 35 Q CB 1.319 30.071 28.738 0.023 0.000 1.237 35 Q HN 0.587 nan 8.270 nan 0.000 0.434 36 N N 0.819 119.535 118.700 0.027 0.000 2.714 36 N HA -0.173 4.567 4.740 0.000 0.000 0.253 36 N C -2.569 172.975 175.510 0.056 0.000 1.024 36 N CA -0.294 52.777 53.050 0.035 0.000 0.726 36 N CB -0.909 37.600 38.487 0.036 0.000 0.908 36 N HN 0.269 nan 8.380 nan 0.000 0.542 37 P HA 0.213 nan 4.420 nan 0.000 0.276 37 P C -0.509 176.859 177.300 0.114 0.000 1.230 37 P CA 0.120 63.276 63.100 0.093 0.000 0.776 37 P CB 0.795 32.526 31.700 0.051 0.000 0.888 38 R N 2.360 122.951 120.500 0.152 0.000 2.538 38 R HA 0.387 4.727 4.340 0.000 0.000 0.292 38 R C -0.323 176.024 176.300 0.079 0.000 1.008 38 R CA -0.932 55.235 56.100 0.111 0.000 0.896 38 R CB 1.688 32.042 30.300 0.090 0.000 1.187 38 R HN 0.475 nan 8.270 nan 0.000 0.440 39 R N 2.500 122.965 120.500 -0.058 0.000 2.316 39 R HA 0.060 4.400 4.340 0.000 0.000 0.314 39 R C 0.309 176.446 176.300 -0.271 0.000 1.069 39 R CA 0.094 55.925 56.100 -0.448 0.000 0.959 39 R CB 0.313 30.233 30.300 -0.634 0.000 0.987 39 R HN 0.694 nan 8.270 nan 0.000 0.446 40 Y N 1.727 121.913 120.300 -0.190 0.000 2.478 40 Y HA 0.379 4.929 4.550 0.000 0.000 0.261 40 Y C -0.454 175.385 175.900 -0.103 0.000 1.127 40 Y CA -0.938 57.103 58.100 -0.099 0.000 1.288 40 Y CB 0.191 38.625 38.460 -0.043 0.000 1.084 40 Y HN 0.535 nan 8.280 nan 0.000 0.530 41 N N 0.289 118.840 118.700 -0.248 0.000 2.431 41 N HA 0.206 4.946 4.740 0.000 0.000 0.275 41 N C -1.265 174.169 175.510 -0.127 0.000 1.091 41 N CA -0.038 52.972 53.050 -0.066 0.000 0.922 41 N CB 1.436 40.001 38.487 0.130 0.000 1.666 41 N HN 0.184 nan 8.380 nan 0.000 0.484 42 D N 0.094 120.510 120.400 0.025 0.000 2.516 42 D HA 0.030 4.670 4.640 0.000 0.000 0.241 42 D C -0.289 176.158 176.300 0.245 0.000 1.246 42 D CA -0.087 54.013 54.000 0.166 0.000 0.808 42 D CB -0.685 40.103 40.800 -0.020 0.000 1.147 42 D HN 0.610 nan 8.370 nan 0.000 0.527 43 H N 2.293 121.418 119.070 0.093 0.000 3.001 43 H HA 0.096 4.652 4.556 0.000 0.000 0.334 43 H C 0.366 175.749 175.328 0.092 0.000 1.034 43 H CA 0.796 56.891 56.048 0.077 0.000 1.420 43 H CB 0.455 30.244 29.762 0.045 0.000 1.405 43 H HN 0.033 nan 8.280 nan 0.000 0.593 44 R N 2.376 122.593 120.500 -0.472 0.000 3.863 44 R HA -0.212 4.128 4.340 0.000 0.000 0.313 44 R C 1.015 177.238 176.300 -0.128 0.000 1.202 44 R CA 0.777 56.679 56.100 -0.329 0.000 0.852 44 R CB -1.823 28.275 30.300 -0.336 0.000 1.292 44 R HN 1.105 nan 8.270 nan 0.000 0.519 45 G N 0.110 108.888 108.800 -0.036 0.000 2.187 45 G HA2 -0.315 3.645 3.960 0.000 0.000 0.261 45 G HA3 -0.315 3.645 3.960 0.000 0.000 0.261 45 G C 0.213 175.014 174.900 -0.166 0.000 1.000 45 G CA 0.520 45.554 45.100 -0.109 0.000 0.718 45 G HN 0.347 nan 8.290 nan 0.000 0.519 46 L N 0.340 121.577 121.223 0.023 0.000 2.648 46 L HA 0.271 4.611 4.340 0.000 0.000 0.238 46 L C 0.518 177.487 176.870 0.166 0.000 1.316 46 L CA -1.168 53.701 54.840 0.049 0.000 1.241 46 L CB -0.290 41.809 42.059 0.066 0.000 1.499 46 L HN 0.132 nan 8.230 nan 0.000 0.411 47 W N 1.699 122.958 121.300 -0.068 0.000 2.476 47 W HA 0.210 4.870 4.660 0.000 0.000 0.338 47 W C 0.931 177.286 176.519 -0.275 0.000 1.328 47 W CA -0.574 56.660 57.345 -0.185 0.000 1.300 47 W CB -0.122 29.347 29.460 0.014 0.000 1.252 47 W HN 0.256 nan 8.180 nan 0.000 0.568 48 G N 3.523 112.010 108.800 -0.522 0.000 2.590 48 G HA2 0.671 4.631 3.960 0.000 0.000 0.310 48 G HA3 0.671 4.631 3.960 0.000 0.000 0.310 48 G C -2.156 171.905 174.900 -1.399 0.000 1.347 48 G CA -0.591 44.020 45.100 -0.816 0.000 0.963 48 G HN 0.252 nan 8.290 nan 0.000 0.494 49 Y N -0.010 119.998 120.300 -0.488 0.000 2.545 49 Y HA 0.744 5.294 4.550 0.000 0.000 0.348 49 Y C 0.392 176.370 175.900 0.130 0.000 1.002 49 Y CA -0.905 57.074 58.100 -0.202 0.000 1.039 49 Y CB 2.896 41.313 38.460 -0.071 0.000 1.271 49 Y HN 0.457 nan 8.280 nan 0.000 0.467 50 T N 1.086 115.853 114.554 0.356 0.000 2.921 50 T HA 0.756 5.106 4.350 0.000 0.000 0.297 50 T C -0.221 174.601 174.700 0.203 0.000 1.013 50 T CA -0.709 61.574 62.100 0.304 0.000 0.990 50 T CB 1.703 70.757 68.868 0.311 0.000 1.023 50 T HN 1.013 nan 8.240 nan 0.000 0.447 51 G N 1.415 110.312 108.800 0.162 0.000 2.731 51 G HA2 0.716 4.676 3.960 0.000 0.000 0.309 51 G HA3 0.716 4.676 3.960 0.000 0.000 0.309 51 G C -2.023 172.949 174.900 0.120 0.000 1.273 51 G CA -0.768 44.407 45.100 0.126 0.000 0.798 51 G HN 0.679 nan 8.290 nan 0.000 0.509 52 L N 0.118 121.408 121.223 0.112 0.000 2.346 52 L HA 0.549 4.889 4.340 0.000 0.000 0.276 52 L C -1.455 175.514 176.870 0.165 0.000 1.006 52 L CA -0.935 53.973 54.840 0.114 0.000 0.817 52 L CB 2.246 44.345 42.059 0.066 0.000 1.272 52 L HN 0.569 nan 8.230 nan 0.000 0.421 53 Y N 3.307 123.631 120.300 0.041 0.000 2.332 53 Y HA 0.285 4.835 4.550 0.000 0.000 0.326 53 Y C 0.101 176.023 175.900 0.036 0.000 0.978 53 Y CA -1.274 56.854 58.100 0.046 0.000 1.205 53 Y CB 0.882 39.369 38.460 0.045 0.000 1.131 53 Y HN 0.574 nan 8.280 nan 0.000 0.462 54 K N 4.738 124.886 120.400 -0.420 0.000 3.077 54 K HA -0.242 4.078 4.320 0.000 0.000 0.264 54 K C 0.929 177.455 176.600 -0.124 0.000 1.008 54 K CA 1.024 57.112 56.287 -0.332 0.000 0.740 54 K CB -1.542 30.667 32.500 -0.485 0.000 1.273 54 K HN 1.322 nan 8.250 nan 0.000 0.477 55 G N -1.719 107.045 108.800 -0.060 0.000 2.179 55 G HA2 -0.310 3.650 3.960 0.000 0.000 0.260 55 G HA3 -0.310 3.650 3.960 0.000 0.000 0.260 55 G C 0.126 175.038 174.900 0.019 0.000 0.977 55 G CA 0.142 45.233 45.100 -0.015 0.000 0.641 55 G HN 0.275 nan 8.290 nan 0.000 0.533 56 V N 1.596 121.539 119.914 0.048 0.000 2.435 56 V HA 0.525 4.645 4.120 0.000 0.000 0.290 56 V C -1.994 174.161 176.094 0.101 0.000 1.030 56 V CA -1.906 60.439 62.300 0.076 0.000 0.881 56 V CB 1.974 33.854 31.823 0.095 0.000 0.983 56 V HN 0.050 nan 8.190 nan 0.000 0.445 57 P HA 0.226 nan 4.420 nan 0.000 0.267 57 P C -0.962 176.397 177.300 0.097 0.000 1.209 57 P CA 0.226 63.378 63.100 0.086 0.000 0.763 57 P CB 0.625 32.364 31.700 0.064 0.000 0.816 58 V N 3.460 123.442 119.914 0.113 0.000 2.733 58 V HA 0.353 4.473 4.120 0.000 0.000 0.306 58 V C -0.124 176.046 176.094 0.127 0.000 1.084 58 V CA -0.412 61.949 62.300 0.102 0.000 0.905 58 V CB 2.369 34.244 31.823 0.086 0.000 1.010 58 V HN 0.382 nan 8.190 nan 0.000 0.424 59 S N 2.519 118.301 115.700 0.137 0.000 2.593 59 S HA 0.800 5.270 4.470 0.000 0.000 0.297 59 S C -0.632 174.081 174.600 0.187 0.000 1.112 59 S CA -0.631 57.700 58.200 0.218 0.000 1.043 59 S CB 2.023 65.378 63.200 0.259 0.000 1.054 59 S HN 0.499 nan 8.310 nan 0.000 0.516 60 V N 2.815 122.871 119.914 0.237 0.000 2.447 60 V HA 0.468 4.588 4.120 0.000 0.000 0.292 60 V C -0.710 175.527 176.094 0.238 0.000 1.021 60 V CA -0.612 61.804 62.300 0.193 0.000 0.850 60 V CB 1.285 33.205 31.823 0.161 0.000 1.005 60 V HN 0.784 nan 8.190 nan 0.000 0.426 61 Q N 2.900 122.816 119.800 0.195 0.000 2.333 61 Q HA 0.504 4.844 4.340 0.000 0.000 0.268 61 Q C -0.237 175.844 176.000 0.135 0.000 1.007 61 Q CA -0.137 55.776 55.803 0.183 0.000 0.810 61 Q CB 1.884 30.752 28.738 0.217 0.000 1.264 61 Q HN 0.756 nan 8.270 nan 0.000 0.452 62 T N 3.014 117.647 114.554 0.132 0.000 2.928 62 T HA 0.143 4.493 4.350 0.000 0.000 0.305 62 T C 1.008 175.734 174.700 0.044 0.000 1.035 62 T CA 0.766 62.913 62.100 0.079 0.000 1.145 62 T CB 0.629 69.531 68.868 0.056 0.000 0.963 62 T HN 0.793 nan 8.240 nan 0.000 0.545 63 T N -0.137 114.425 114.554 0.014 0.000 2.990 63 T HA 0.492 4.842 4.350 0.000 0.000 0.250 63 T C 1.112 175.794 174.700 -0.031 0.000 1.041 63 T CA 0.300 62.398 62.100 -0.002 0.000 1.010 63 T CB -0.134 68.730 68.868 -0.007 0.000 1.003 63 T HN 1.154 nan 8.240 nan 0.000 0.499 64 G N 1.659 110.430 108.800 -0.048 0.000 2.760 64 G HA2 -0.096 3.864 3.960 0.000 0.000 0.246 64 G HA3 -0.096 3.864 3.960 0.000 0.000 0.246 64 G C -0.635 174.224 174.900 -0.068 0.000 1.359 64 G CA -0.452 44.606 45.100 -0.070 0.000 0.861 64 G HN 0.574 nan 8.290 nan 0.000 0.541 65 M N 0.998 120.552 119.600 -0.077 0.000 2.300 65 M HA 0.581 5.061 4.480 0.000 0.000 0.348 65 M C 0.672 176.937 176.300 -0.058 0.000 1.151 65 M CA 0.726 55.980 55.300 -0.076 0.000 1.046 65 M CB 1.410 33.947 32.600 -0.105 0.000 1.647 65 M HN 2.530 nan 8.290 nan 0.000 0.451 66 G N 1.026 109.798 108.800 -0.046 0.000 2.650 66 G HA2 -0.162 3.798 3.960 0.000 0.000 0.686 66 G HA3 -0.162 3.798 3.960 0.000 0.000 0.686 66 G C 0.272 175.153 174.900 -0.033 0.000 1.205 66 G CA -0.302 44.779 45.100 -0.032 0.000 0.781 66 G HN 0.867 nan 8.290 nan 0.000 0.648 67 T N -1.347 113.191 114.554 -0.025 0.000 2.867 67 T HA 0.008 4.358 4.350 0.000 0.000 0.268 67 T C 0.087 174.785 174.700 -0.003 0.000 1.057 67 T CA 2.081 64.171 62.100 -0.018 0.000 1.136 67 T CB -0.635 68.228 68.868 -0.008 0.000 0.874 67 T HN 0.402 nan 8.240 nan 0.000 0.466 68 P HA -0.035 nan 4.420 nan 0.000 0.215 68 P C 2.102 179.377 177.300 -0.041 0.000 1.157 68 P CA 1.107 64.194 63.100 -0.021 0.000 0.863 68 P CB -0.237 31.445 31.700 -0.031 0.000 0.787 69 S N -0.815 114.856 115.700 -0.049 0.000 2.355 69 S HA -0.143 4.327 4.470 0.000 0.000 0.222 69 S C 1.988 176.553 174.600 -0.057 0.000 1.031 69 S CA 1.391 59.550 58.200 -0.068 0.000 0.993 69 S CB -1.069 62.095 63.200 -0.060 0.000 0.859 69 S HN 0.045 nan 8.310 nan 0.000 0.453 70 A N 1.056 123.853 122.820 -0.038 0.000 1.969 70 A HA 0.256 4.576 4.320 0.000 0.000 0.218 70 A C 2.380 179.956 177.584 -0.013 0.000 1.169 70 A CA 1.700 53.720 52.037 -0.027 0.000 0.635 70 A CB -1.144 17.836 19.000 -0.035 0.000 0.810 70 A HN 0.711 nan 8.150 nan 0.000 0.445 71 A N -0.026 122.797 122.820 0.006 0.000 1.930 71 A HA -0.035 4.285 4.320 0.000 0.000 0.217 71 A C 2.091 179.694 177.584 0.031 0.000 1.175 71 A CA 1.366 53.433 52.037 0.050 0.000 0.627 71 A CB -0.536 18.564 19.000 0.166 0.000 0.815 71 A HN 0.481 nan 8.150 nan 0.000 0.443 72 I N -0.442 120.110 120.570 -0.029 0.000 2.179 72 I HA -0.228 3.942 4.170 0.000 0.000 0.242 72 I C 2.346 178.433 176.117 -0.049 0.000 1.088 72 I CA 1.246 62.486 61.300 -0.099 0.000 1.357 72 I CB -0.247 37.568 38.000 -0.308 0.000 1.051 72 I HN 0.164 nan 8.210 nan 0.000 0.409 73 V N 0.189 120.084 119.914 -0.031 0.000 2.358 73 V HA -0.216 3.904 4.120 0.000 0.000 0.246 73 V C 2.390 178.505 176.094 0.035 0.000 1.047 73 V CA 1.396 63.708 62.300 0.019 0.000 1.035 73 V CB -0.304 31.535 31.823 0.027 0.000 0.658 73 V HN 0.220 nan 8.190 nan 0.000 0.452 74 V N -0.236 119.692 119.914 0.022 0.000 2.295 74 V HA -0.218 3.902 4.120 0.000 0.000 0.246 74 V C 2.596 178.704 176.094 0.023 0.000 1.049 74 V CA 1.879 64.192 62.300 0.023 0.000 1.024 74 V CB -0.627 31.200 31.823 0.006 0.000 0.648 74 V HN 0.560 nan 8.190 nan 0.000 0.447 75 E N 0.129 120.344 120.200 0.026 0.000 2.085 75 E HA -0.244 4.106 4.350 0.000 0.000 0.194 75 E C 2.192 178.817 176.600 0.041 0.000 0.994 75 E CA 1.542 57.963 56.400 0.035 0.000 0.801 75 E CB -0.179 29.559 29.700 0.064 0.000 0.743 75 E HN 0.724 nan 8.360 nan 0.000 0.453 76 E N 0.474 120.705 120.200 0.050 0.000 2.152 76 E HA -0.058 4.292 4.350 0.000 0.000 0.192 76 E C 2.364 178.987 176.600 0.040 0.000 0.983 76 E CA 0.246 56.681 56.400 0.057 0.000 0.818 76 E CB -0.026 29.727 29.700 0.087 0.000 0.758 76 E HN 0.193 nan 8.360 nan 0.000 0.467 77 L N 0.703 121.950 121.223 0.041 0.000 2.046 77 L HA -0.175 4.165 4.340 0.000 0.000 0.208 77 L C 2.463 179.343 176.870 0.018 0.000 1.077 77 L CA 0.792 55.652 54.840 0.032 0.000 0.747 77 L CB -0.312 41.777 42.059 0.049 0.000 0.896 77 L HN 0.052 nan 8.230 nan 0.000 0.432 78 V N -0.568 119.358 119.914 0.020 0.000 2.343 78 V HA -0.254 3.866 4.120 0.000 0.000 0.247 78 V C 2.688 178.789 176.094 0.012 0.000 1.051 78 V CA 1.453 63.762 62.300 0.015 0.000 1.036 78 V CB -0.645 31.185 31.823 0.013 0.000 0.654 78 V HN 0.399 nan 8.190 nan 0.000 0.451 79 R N -0.066 120.443 120.500 0.016 0.000 2.096 79 R HA -0.016 4.324 4.340 0.000 0.000 0.235 79 R C 2.023 178.326 176.300 0.006 0.000 1.127 79 R CA 1.249 57.358 56.100 0.015 0.000 0.968 79 R CB -0.870 29.444 30.300 0.024 0.000 0.861 79 R HN 0.454 nan 8.270 nan 0.000 0.440 80 L N -0.471 120.749 121.223 -0.005 0.000 2.610 80 L HA 0.070 4.410 4.340 0.000 0.000 0.232 80 L C 1.119 177.971 176.870 -0.030 0.000 1.149 80 L CA 0.742 55.564 54.840 -0.029 0.000 0.872 80 L CB -0.097 41.920 42.059 -0.070 0.000 0.992 80 L HN 0.432 nan 8.230 nan 0.000 0.447 81 G N -0.712 108.081 108.800 -0.012 0.000 2.184 81 G HA2 -0.198 3.762 3.960 0.000 0.000 0.206 81 G HA3 -0.198 3.762 3.960 0.000 0.000 0.206 81 G C 0.366 175.266 174.900 -0.000 0.000 0.995 81 G CA -0.203 44.893 45.100 -0.007 0.000 0.651 81 G HN 0.440 nan 8.290 nan 0.000 0.511 82 A N 0.032 122.854 122.820 0.003 0.000 2.462 82 A HA 0.691 5.011 4.320 0.000 0.000 0.243 82 A C 1.371 178.967 177.584 0.020 0.000 1.076 82 A CA 0.746 52.793 52.037 0.016 0.000 0.773 82 A CB 0.334 19.350 19.000 0.027 0.000 1.010 82 A HN 0.298 nan 8.150 nan 0.000 0.493 83 R N 0.916 121.431 120.500 0.024 0.000 2.492 83 R HA 0.204 4.544 4.340 0.000 0.000 0.219 83 R C -0.792 175.526 176.300 0.030 0.000 0.886 83 R CA 0.494 56.609 56.100 0.024 0.000 1.003 83 R CB 0.461 30.774 30.300 0.021 0.000 1.345 83 R HN 0.478 nan 8.270 nan 0.000 0.631 84 V N 2.913 122.848 119.914 0.035 0.000 2.482 84 V HA 0.420 4.540 4.120 0.000 0.000 0.295 84 V C -1.155 174.966 176.094 0.046 0.000 1.026 84 V CA -0.763 61.561 62.300 0.040 0.000 0.856 84 V CB 1.886 33.731 31.823 0.037 0.000 1.001 84 V HN -0.050 nan 8.190 nan 0.000 0.424 85 L N 5.947 127.204 121.223 0.056 0.000 2.376 85 L HA 0.699 5.039 4.340 0.000 0.000 0.275 85 L C -0.426 176.490 176.870 0.076 0.000 0.987 85 L CA -0.407 54.470 54.840 0.062 0.000 0.828 85 L CB 2.045 44.142 42.059 0.062 0.000 1.249 85 L HN 0.363 nan 8.230 nan 0.000 0.409 86 V N 2.923 122.874 119.914 0.062 0.000 2.378 86 V HA 0.478 4.598 4.120 0.000 0.000 0.288 86 V C 0.170 176.295 176.094 0.052 0.000 1.016 86 V CA -0.736 61.605 62.300 0.069 0.000 0.840 86 V CB 1.677 33.527 31.823 0.045 0.000 0.994 86 V HN 0.746 nan 8.190 nan 0.000 0.431 87 R N 4.191 124.727 120.500 0.061 0.000 2.389 87 R HA 0.510 4.850 4.340 0.000 0.000 0.295 87 R C -0.633 175.680 176.300 0.022 0.000 1.075 87 R CA -0.245 55.871 56.100 0.027 0.000 1.005 87 R CB 1.148 31.445 30.300 -0.004 0.000 0.987 87 R HN 0.625 nan 8.270 nan 0.000 0.452 88 V N 2.270 122.190 119.914 0.010 0.000 2.289 88 V HA 0.720 4.840 4.120 0.000 0.000 0.272 88 V C 0.097 176.192 176.094 0.002 0.000 1.026 88 V CA -0.316 61.987 62.300 0.004 0.000 0.807 88 V CB 0.850 32.670 31.823 -0.004 0.000 1.044 88 V HN 0.885 nan 8.190 nan 0.000 0.443 89 G N 3.042 111.839 108.800 -0.004 0.000 3.251 89 G HA2 0.864 4.824 3.960 0.000 0.000 0.248 89 G HA3 0.864 4.824 3.960 0.000 0.000 0.248 89 G C -0.371 174.523 174.900 -0.011 0.000 1.320 89 G CA -0.103 44.990 45.100 -0.012 0.000 0.982 89 G HN 0.929 nan 8.290 nan 0.000 0.575 90 T N -2.979 111.568 114.554 -0.011 0.000 2.932 90 T HA 0.825 5.175 4.350 0.000 0.000 0.289 90 T C -0.349 174.361 174.700 0.016 0.000 1.039 90 T CA -0.166 61.932 62.100 -0.002 0.000 1.024 90 T CB 1.918 70.782 68.868 -0.008 0.000 1.090 90 T HN 1.738 nan 8.240 nan 0.000 0.496 91 A N 0.241 123.077 122.820 0.028 0.000 2.587 91 A HA 0.884 5.204 4.320 0.000 0.000 0.293 91 A C -0.118 177.501 177.584 0.059 0.000 1.087 91 A CA -0.689 51.377 52.037 0.048 0.000 0.692 91 A CB 1.327 20.343 19.000 0.027 0.000 1.291 91 A HN 1.382 nan 8.150 nan 0.000 0.407 92 G N 0.525 109.374 108.800 0.081 0.000 2.319 92 G HA2 0.655 4.615 3.960 0.000 0.000 0.308 92 G HA3 0.655 4.615 3.960 0.000 0.000 0.308 92 G C 0.283 175.239 174.900 0.093 0.000 1.117 92 G CA 0.341 45.475 45.100 0.055 0.000 0.903 92 G HN 1.620 nan 8.290 nan 0.000 0.436 93 A N 1.949 124.806 122.820 0.062 0.000 2.546 93 A HA 0.494 4.814 4.320 0.000 0.000 0.243 93 A C 1.480 179.131 177.584 0.111 0.000 1.063 93 A CA 0.515 52.596 52.037 0.074 0.000 0.757 93 A CB 0.523 19.549 19.000 0.043 0.000 0.991 93 A HN 1.617 nan 8.150 nan 0.000 0.503 94 A N 2.240 125.156 122.820 0.160 0.000 2.275 94 A HA 0.492 4.812 4.320 0.000 0.000 0.212 94 A C 0.797 178.464 177.584 0.138 0.000 1.201 94 A CA 0.771 52.943 52.037 0.226 0.000 0.843 94 A CB -0.523 18.679 19.000 0.336 0.000 0.873 94 A HN 1.772 nan 8.150 nan 0.000 0.492 95 S N -2.242 113.509 115.700 0.086 0.000 2.567 95 S HA 0.347 4.817 4.470 0.000 0.000 0.270 95 S C 0.456 175.078 174.600 0.037 0.000 1.152 95 S CA 0.158 58.393 58.200 0.058 0.000 0.835 95 S CB 0.904 64.137 63.200 0.055 0.000 1.115 95 S HN 0.709 nan 8.310 nan 0.000 0.459 96 S N -0.307 115.409 115.700 0.027 0.000 2.555 96 S HA -0.096 4.374 4.470 0.000 0.000 0.230 96 S C 1.146 175.756 174.600 0.016 0.000 0.978 96 S CA 1.316 59.527 58.200 0.019 0.000 0.934 96 S CB -0.583 62.625 63.200 0.014 0.000 0.766 96 S HN 0.758 nan 8.310 nan 0.000 0.533 97 D N 1.588 121.998 120.400 0.018 0.000 2.123 97 D HA -0.033 4.607 4.640 0.000 0.000 0.196 97 D C 0.462 176.769 176.300 0.011 0.000 0.992 97 D CA 0.780 54.788 54.000 0.013 0.000 0.833 97 D CB -0.276 40.532 40.800 0.013 0.000 0.954 97 D HN 0.450 nan 8.370 nan 0.000 0.455 98 L N 0.460 121.692 121.223 0.016 0.000 2.326 98 L HA 0.495 4.835 4.340 0.000 0.000 0.278 98 L C 0.252 177.131 176.870 0.016 0.000 1.092 98 L CA -0.766 54.084 54.840 0.015 0.000 0.810 98 L CB 1.547 43.618 42.059 0.019 0.000 1.153 98 L HN -0.049 nan 8.230 nan 0.000 0.439 99 A N 4.929 127.758 122.820 0.015 0.000 2.325 99 A HA 0.762 5.082 4.320 0.000 0.000 0.333 99 A C -2.523 175.069 177.584 0.013 0.000 1.155 99 A CA -1.807 50.238 52.037 0.014 0.000 0.814 99 A CB 0.867 19.875 19.000 0.014 0.000 1.206 99 A HN 0.416 nan 8.150 nan 0.000 0.482 100 P HA 0.302 nan 4.420 nan 0.000 0.265 100 P C 1.048 178.349 177.300 0.002 0.000 1.193 100 P CA 2.020 65.124 63.100 0.005 0.000 0.765 100 P CB 0.802 32.503 31.700 0.002 0.000 0.823 101 G N 1.654 110.452 108.800 -0.002 0.000 2.254 101 G HA2 -0.232 3.728 3.960 0.000 0.000 0.225 101 G HA3 -0.232 3.728 3.960 0.000 0.000 0.225 101 G C 0.304 175.207 174.900 0.004 0.000 1.003 101 G CA -0.213 44.882 45.100 -0.009 0.000 0.622 101 G HN 0.593 nan 8.290 nan 0.000 0.507 102 E N 0.651 120.863 120.200 0.020 0.000 2.404 102 E HA 0.504 4.854 4.350 0.000 0.000 0.261 102 E C 0.500 177.128 176.600 0.046 0.000 1.074 102 E CA -0.338 56.087 56.400 0.041 0.000 0.917 102 E CB 0.256 29.978 29.700 0.036 0.000 0.965 102 E HN 0.402 nan 8.360 nan 0.000 0.433 103 L N 4.116 125.390 121.223 0.084 0.000 2.360 103 L HA 0.510 4.850 4.340 0.000 0.000 0.271 103 L C -0.137 176.787 176.870 0.090 0.000 1.057 103 L CA -0.797 54.094 54.840 0.085 0.000 0.803 103 L CB 1.072 43.200 42.059 0.114 0.000 1.207 103 L HN 0.500 nan 8.230 nan 0.000 0.445 104 I N 1.757 122.363 120.570 0.059 0.000 2.478 104 I HA 0.258 4.428 4.170 0.000 0.000 0.287 104 I C -0.717 175.427 176.117 0.045 0.000 1.042 104 I CA -0.652 60.673 61.300 0.041 0.000 1.067 104 I CB 2.379 40.390 38.000 0.019 0.000 1.233 104 I HN 0.166 nan 8.210 nan 0.000 0.431 105 V N 5.976 125.907 119.914 0.030 0.000 2.353 105 V HA 0.330 4.450 4.120 0.000 0.000 0.264 105 V C 0.801 176.978 176.094 0.138 0.000 1.049 105 V CA -0.605 61.725 62.300 0.050 0.000 0.896 105 V CB 1.105 32.879 31.823 -0.082 0.000 1.025 105 V HN 0.830 nan 8.190 nan 0.000 0.475 106 A N 4.170 127.102 122.820 0.187 0.000 2.496 106 A HA 0.088 4.408 4.320 0.000 0.000 0.278 106 A C 1.278 178.985 177.584 0.206 0.000 1.137 106 A CA 0.167 52.328 52.037 0.208 0.000 0.805 106 A CB 0.026 19.195 19.000 0.281 0.000 1.077 106 A HN 0.951 nan 8.150 nan 0.000 0.513 107 Q N 2.640 122.470 119.800 0.049 0.000 2.187 107 Q HA 0.202 4.543 4.340 0.000 0.000 0.199 107 Q C 0.741 176.528 176.000 -0.355 0.000 0.957 107 Q CA 1.175 56.775 55.803 -0.339 0.000 0.857 107 Q CB 0.109 28.703 28.738 -0.240 0.000 0.929 107 Q HN 0.915 nan 8.270 nan 0.000 0.453 108 G N -0.870 107.883 108.800 -0.079 0.000 2.608 108 G HA2 0.614 4.574 3.960 0.000 0.000 0.291 108 G HA3 0.614 4.574 3.960 0.000 0.000 0.291 108 G C -2.007 172.979 174.900 0.143 0.000 1.425 108 G CA -0.280 44.824 45.100 0.007 0.000 0.787 108 G HN 0.178 nan 8.290 nan 0.000 0.484 109 A N 0.015 122.925 122.820 0.150 0.000 2.385 109 A HA 0.666 4.986 4.320 0.000 0.000 0.290 109 A C -0.369 177.173 177.584 -0.070 0.000 1.094 109 A CA -0.471 51.562 52.037 -0.006 0.000 0.729 109 A CB 1.526 20.462 19.000 -0.106 0.000 1.194 109 A HN 1.380 nan 8.150 nan 0.000 0.442 110 V N 5.050 124.862 119.914 -0.169 0.000 2.493 110 V HA 0.168 4.288 4.120 0.000 0.000 0.292 110 V C -1.698 174.284 176.094 -0.187 0.000 1.016 110 V CA -0.402 61.776 62.300 -0.203 0.000 1.097 110 V CB 0.832 32.415 31.823 -0.400 0.000 0.947 110 V HN 0.763 nan 8.190 nan 0.000 0.479 111 P HA 0.211 nan 4.420 nan 0.000 0.247 111 P C 0.132 177.400 177.300 -0.053 0.000 1.756 111 P CA 0.019 63.093 63.100 -0.042 0.000 1.117 111 P CB 0.311 32.040 31.700 0.047 0.000 1.869 112 L N 1.694 122.857 121.223 -0.100 0.000 2.685 112 L HA 0.160 4.500 4.340 0.000 0.000 0.233 112 L C 1.113 177.971 176.870 -0.020 0.000 1.173 112 L CA -0.047 54.754 54.840 -0.065 0.000 0.961 112 L CB -0.242 41.745 42.059 -0.120 0.000 1.217 112 L HN 0.288 nan 8.230 nan 0.000 0.478 113 D N -0.911 119.479 120.400 -0.017 0.000 2.326 113 D HA 0.175 4.815 4.640 0.000 0.000 0.248 113 D C 0.899 177.205 176.300 0.010 0.000 1.001 113 D CA -0.457 53.541 54.000 -0.002 0.000 0.961 113 D CB 2.155 42.950 40.800 -0.009 0.000 1.183 113 D HN -0.052 nan 8.370 nan 0.000 0.502 114 G N -0.454 108.351 108.800 0.008 0.000 2.838 114 G HA2 -0.068 3.892 3.960 0.000 0.000 0.210 114 G HA3 -0.068 3.892 3.960 0.000 0.000 0.210 114 G C 1.143 176.044 174.900 0.002 0.000 1.153 114 G CA 0.359 45.461 45.100 0.004 0.000 0.778 114 G HN 0.543 nan 8.290 nan 0.000 0.539 115 T N 1.271 115.835 114.554 0.018 0.000 2.732 115 T HA -0.141 4.209 4.350 0.000 0.000 0.261 115 T C 2.903 177.688 174.700 0.143 0.000 1.040 115 T CA 2.042 64.170 62.100 0.046 0.000 1.145 115 T CB -0.596 68.320 68.868 0.081 0.000 0.866 115 T HN 0.501 nan 8.240 nan 0.000 0.427 116 T N 1.164 115.795 114.554 0.129 0.000 2.788 116 T HA -0.130 4.220 4.350 0.000 0.000 0.268 116 T C 1.993 176.747 174.700 0.090 0.000 1.044 116 T CA 1.115 63.292 62.100 0.129 0.000 1.139 116 T CB -0.318 68.592 68.868 0.069 0.000 0.867 116 T HN 0.288 nan 8.240 nan 0.000 0.454 117 R N 0.830 121.362 120.500 0.053 0.000 2.083 117 R HA -0.140 4.200 4.340 0.000 0.000 0.237 117 R C 2.779 179.085 176.300 0.011 0.000 1.137 117 R CA 1.803 57.920 56.100 0.029 0.000 0.951 117 R CB -0.381 29.930 30.300 0.019 0.000 0.851 117 R HN 0.626 nan 8.270 nan 0.000 0.434 118 Q N -0.722 119.066 119.800 -0.020 0.000 2.050 118 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 118 Q C 1.786 177.737 176.000 -0.082 0.000 0.980 118 Q CA 1.785 57.537 55.803 -0.085 0.000 0.840 118 Q CB -0.160 28.475 28.738 -0.171 0.000 0.898 118 Q HN 0.493 nan 8.270 nan 0.000 0.424 119 Y N 0.091 120.358 120.300 -0.054 0.000 2.207 119 Y HA -0.202 4.348 4.550 0.000 0.000 0.287 119 Y C 1.869 177.716 175.900 -0.089 0.000 1.156 119 Y CA 0.933 58.991 58.100 -0.071 0.000 1.182 119 Y CB 0.177 38.583 38.460 -0.091 0.000 0.979 119 Y HN 0.141 nan 8.280 nan 0.000 0.521 120 L N -0.216 121.045 121.223 0.064 0.000 2.591 120 L HA -0.021 4.319 4.340 0.000 0.000 0.228 120 L C 0.370 177.241 176.870 0.001 0.000 1.133 120 L CA 0.506 55.338 54.840 -0.014 0.000 0.880 120 L CB -0.216 41.812 42.059 -0.052 0.000 1.033 120 L HN 0.216 nan 8.230 nan 0.000 0.450 121 E N -0.287 119.915 120.200 0.004 0.000 2.586 121 E HA -0.288 4.062 4.350 0.000 0.000 0.259 121 E C 1.158 177.761 176.600 0.006 0.000 1.107 121 E CA 0.231 56.631 56.400 -0.001 0.000 0.754 121 E CB -1.694 28.006 29.700 0.001 0.000 1.335 121 E HN 0.673 nan 8.360 nan 0.000 0.411 122 G N -0.028 108.778 108.800 0.011 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 0.349 175.267 174.900 0.030 0.000 0.977 122 G CA 0.571 45.683 45.100 0.019 0.000 0.641 122 G HN 0.286 nan 8.290 nan 0.000 0.533 123 R N 0.821 121.339 120.500 0.031 0.000 2.615 123 R HA 0.436 4.776 4.340 0.000 0.000 0.270 123 R C -2.027 174.319 176.300 0.077 0.000 1.081 123 R CA -1.348 54.780 56.100 0.047 0.000 1.154 123 R CB 0.143 30.468 30.300 0.042 0.000 1.063 123 R HN 0.136 nan 8.270 nan 0.000 0.519 124 P HA 0.025 nan 4.420 nan 0.000 0.271 124 P C -1.412 176.019 177.300 0.218 0.000 1.233 124 P CA 0.182 63.352 63.100 0.116 0.000 0.789 124 P CB 0.360 32.108 31.700 0.080 0.000 0.951 125 Y N -0.659 119.651 120.300 0.016 0.000 2.687 125 Y HA 0.498 5.048 4.550 0.000 0.000 0.338 125 Y C -1.696 174.210 175.900 0.010 0.000 1.189 125 Y CA -1.066 57.042 58.100 0.013 0.000 1.097 125 Y CB 0.949 39.420 38.460 0.018 0.000 1.342 125 Y HN 0.415 nan 8.280 nan 0.000 0.461 126 A N 4.962 127.357 122.820 -0.708 0.000 2.709 126 A HA 0.640 4.960 4.320 0.000 0.000 0.332 126 A C -2.995 174.228 177.584 -0.602 0.000 1.241 126 A CA -1.698 50.059 52.037 -0.465 0.000 0.782 126 A CB -0.085 18.713 19.000 -0.335 0.000 1.109 126 A HN 0.364 nan 8.150 nan 0.000 0.472 127 P HA 0.252 nan 4.420 nan 0.000 0.265 127 P C -0.238 177.124 177.300 0.103 0.000 1.222 127 P CA 0.353 63.517 63.100 0.107 0.000 0.767 127 P CB 0.746 32.620 31.700 0.290 0.000 0.801 128 V N 2.272 122.115 119.914 -0.118 0.000 2.962 128 V HA 0.774 4.894 4.120 0.000 0.000 0.313 128 V C -2.567 172.950 176.094 -0.962 0.000 1.099 128 V CA -2.967 59.024 62.300 -0.515 0.000 0.971 128 V CB 2.380 33.959 31.823 -0.406 0.000 1.028 128 V HN 0.247 nan 8.190 nan 0.000 0.430 129 P HA 0.216 nan 4.420 nan 0.000 0.277 129 P C -0.794 176.261 177.300 -0.408 0.000 1.271 129 P CA -0.028 62.433 63.100 -1.065 0.000 0.795 129 P CB 0.693 31.893 31.700 -0.834 0.000 1.101 130 D N 0.548 120.840 120.400 -0.182 0.000 2.458 130 D HA 0.013 4.653 4.640 0.000 0.000 0.243 130 D C -1.060 175.230 176.300 -0.016 0.000 1.146 130 D CA -1.473 52.486 54.000 -0.068 0.000 0.877 130 D CB 0.377 41.173 40.800 -0.007 0.000 1.176 130 D HN 0.136 nan 8.370 nan 0.000 0.461 131 P HA -0.208 nan 4.420 nan 0.000 0.216 131 P C 0.851 178.240 177.300 0.149 0.000 1.153 131 P CA 1.115 64.264 63.100 0.081 0.000 0.858 131 P CB 0.274 31.997 31.700 0.039 0.000 0.789 132 E N -0.114 120.136 120.200 0.083 0.000 2.031 132 E HA -0.089 4.261 4.350 0.000 0.000 0.193 132 E C 2.290 178.937 176.600 0.079 0.000 0.994 132 E CA 0.857 57.299 56.400 0.070 0.000 0.800 132 E CB -1.083 28.641 29.700 0.041 0.000 0.752 132 E HN 0.088 nan 8.360 nan 0.000 0.447 133 V N 1.625 121.588 119.914 0.081 0.000 2.287 133 V HA -0.258 3.862 4.120 0.000 0.000 0.248 133 V C 2.222 178.387 176.094 0.119 0.000 1.053 133 V CA 1.948 64.297 62.300 0.082 0.000 1.027 133 V CB -0.673 31.196 31.823 0.076 0.000 0.646 133 V HN 0.163 nan 8.190 nan 0.000 0.447 134 F N 1.445 121.398 119.950 0.006 0.000 2.065 134 F HA -0.253 4.274 4.527 0.000 0.000 0.298 134 F C 2.644 178.519 175.800 0.126 0.000 1.112 134 F CA 2.437 60.456 58.000 0.033 0.000 1.212 134 F CB -0.514 38.478 39.000 -0.014 0.000 0.975 134 F HN -0.048 nan 8.300 nan 0.000 0.476 135 R N 0.292 120.793 120.500 0.002 0.000 2.091 135 R HA -0.182 4.158 4.340 0.000 0.000 0.238 135 R C 2.341 178.594 176.300 -0.079 0.000 1.136 135 R CA 1.535 57.590 56.100 -0.075 0.000 0.959 135 R CB -0.741 29.577 30.300 0.030 0.000 0.856 135 R HN 0.425 nan 8.270 nan 0.000 0.437 136 A N 0.727 123.529 122.820 -0.030 0.000 1.930 136 A HA -0.100 4.220 4.320 0.000 0.000 0.217 136 A C 2.171 179.740 177.584 -0.024 0.000 1.175 136 A CA 1.062 53.084 52.037 -0.024 0.000 0.627 136 A CB -0.416 18.585 19.000 0.000 0.000 0.815 136 A HN 0.350 nan 8.150 nan 0.000 0.443 137 L N -2.150 119.057 121.223 -0.026 0.000 2.093 137 L HA -0.177 4.163 4.340 0.000 0.000 0.208 137 L C 2.587 179.448 176.870 -0.016 0.000 1.085 137 L CA 1.142 55.969 54.840 -0.022 0.000 0.755 137 L CB -0.422 41.633 42.059 -0.007 0.000 0.904 137 L HN 0.733 nan 8.230 nan 0.000 0.435 138 W N 1.520 122.631 121.300 -0.314 0.000 2.378 138 W HA -0.151 4.509 4.660 0.000 0.000 0.313 138 W C 2.672 179.054 176.519 -0.228 0.000 1.197 138 W CA 1.291 58.447 57.345 -0.314 0.000 1.304 138 W CB -0.557 28.629 29.460 -0.457 0.000 1.148 138 W HN 0.002 nan 8.180 nan 0.000 0.494 139 R N -0.293 120.194 120.500 -0.023 0.000 2.094 139 R HA -0.211 4.129 4.340 0.000 0.000 0.239 139 R C 2.342 178.599 176.300 -0.071 0.000 1.137 139 R CA 2.005 58.037 56.100 -0.113 0.000 0.943 139 R CB -0.441 29.791 30.300 -0.114 0.000 0.850 139 R HN -0.079 nan 8.270 nan 0.000 0.433 140 R N 0.103 120.574 120.500 -0.048 0.000 2.081 140 R HA -0.049 4.291 4.340 0.000 0.000 0.235 140 R C 2.172 178.427 176.300 -0.076 0.000 1.131 140 R CA 1.547 57.620 56.100 -0.045 0.000 0.960 140 R CB -0.950 29.340 30.300 -0.016 0.000 0.856 140 R HN 0.291 nan 8.270 nan 0.000 0.436 141 A N 1.212 123.967 122.820 -0.107 0.000 1.908 141 A HA -0.192 4.128 4.320 0.000 0.000 0.218 141 A C 2.109 179.516 177.584 -0.295 0.000 1.181 141 A CA 1.563 53.458 52.037 -0.237 0.000 0.627 141 A CB -0.364 18.351 19.000 -0.475 0.000 0.818 141 A HN 0.378 nan 8.150 nan 0.000 0.445 142 E N -0.428 119.663 120.200 -0.181 0.000 2.017 142 E HA -0.103 4.247 4.350 0.000 0.000 0.193 142 E C 2.445 179.010 176.600 -0.058 0.000 0.997 142 E CA 0.904 57.291 56.400 -0.022 0.000 0.804 142 E CB -0.333 29.383 29.700 0.026 0.000 0.757 142 E HN 0.586 nan 8.360 nan 0.000 0.448 143 A N 1.471 124.241 122.820 -0.084 0.000 1.884 143 A HA -0.222 4.098 4.320 0.000 0.000 0.219 143 A C 2.197 179.697 177.584 -0.140 0.000 1.197 143 A CA 1.490 53.474 52.037 -0.089 0.000 0.637 143 A CB -0.910 18.045 19.000 -0.076 0.000 0.827 143 A HN 0.186 nan 8.150 nan 0.000 0.450 144 L N -1.399 119.692 121.223 -0.221 0.000 2.362 144 L HA 0.043 4.383 4.340 0.000 0.000 0.219 144 L C 1.839 178.372 176.870 -0.562 0.000 1.134 144 L CA 0.624 55.196 54.840 -0.446 0.000 0.807 144 L CB -0.701 40.973 42.059 -0.640 0.000 0.927 144 L HN 0.682 nan 8.230 nan 0.000 0.447 145 G N -1.079 107.544 108.800 -0.295 0.000 2.153 145 G HA2 -0.305 3.655 3.960 0.000 0.000 0.252 145 G HA3 -0.305 3.655 3.960 0.000 0.000 0.252 145 G C -0.149 174.734 174.900 -0.027 0.000 0.994 145 G CA -0.247 44.776 45.100 -0.129 0.000 0.698 145 G HN 0.229 nan 8.290 nan 0.000 0.521 146 Y N 0.128 120.488 120.300 0.100 0.000 2.335 146 Y HA 0.464 5.014 4.550 0.000 0.000 0.331 146 Y C -1.656 174.380 175.900 0.226 0.000 1.094 146 Y CA -2.986 55.185 58.100 0.118 0.000 1.253 146 Y CB 0.474 38.979 38.460 0.076 0.000 1.203 146 Y HN -0.035 nan 8.280 nan 0.000 0.508 147 P HA -0.002 nan 4.420 nan 0.000 0.260 147 P C -0.578 176.877 177.300 0.258 0.000 1.185 147 P CA 0.975 64.209 63.100 0.223 0.000 0.763 147 P CB 0.159 31.937 31.700 0.130 0.000 0.776 148 H N 1.886 120.999 119.070 0.071 0.000 2.990 148 H HA 0.623 5.179 4.556 0.000 0.000 0.336 148 H C -0.826 174.503 175.328 0.003 0.000 1.306 148 H CA -1.032 55.039 56.048 0.039 0.000 1.118 148 H CB 1.281 31.072 29.762 0.048 0.000 1.856 148 H HN 0.143 nan 8.280 nan 0.000 0.538 149 R N 0.395 120.874 120.500 -0.034 0.000 2.795 149 R HA 0.590 4.930 4.340 0.000 0.000 0.275 149 R C -1.132 175.109 176.300 -0.097 0.000 0.981 149 R CA -1.116 54.916 56.100 -0.112 0.000 0.917 149 R CB 2.631 32.892 30.300 -0.064 0.000 1.202 149 R HN 0.456 nan 8.270 nan 0.000 0.469 150 V N 1.096 120.891 119.914 -0.198 0.000 2.443 150 V HA 0.833 4.953 4.120 0.000 0.000 0.293 150 V C 0.368 176.361 176.094 -0.168 0.000 1.021 150 V CA -0.325 61.799 62.300 -0.293 0.000 0.848 150 V CB 1.411 32.733 31.823 -0.835 0.000 0.998 150 V HN 1.015 nan 8.190 nan 0.000 0.424 151 G N 3.649 112.406 108.800 -0.072 0.000 2.356 151 G HA2 0.374 4.334 3.960 0.000 0.000 0.281 151 G HA3 0.374 4.334 3.960 0.000 0.000 0.281 151 G C -1.527 173.351 174.900 -0.036 0.000 1.246 151 G CA -0.981 44.087 45.100 -0.053 0.000 0.889 151 G HN 0.518 nan 8.290 nan 0.000 0.486 152 L N 0.943 122.139 121.223 -0.045 0.000 2.397 152 L HA 0.566 4.906 4.340 0.000 0.000 0.271 152 L C 0.840 177.650 176.870 -0.099 0.000 1.148 152 L CA -0.667 54.137 54.840 -0.060 0.000 0.825 152 L CB 1.124 43.149 42.059 -0.056 0.000 1.117 152 L HN 0.628 nan 8.230 nan 0.000 0.456 153 V N 0.074 119.910 119.914 -0.131 0.000 3.158 153 V HA 0.967 5.087 4.120 0.000 0.000 0.315 153 V C -0.388 175.498 176.094 -0.345 0.000 1.148 153 V CA -0.832 61.338 62.300 -0.217 0.000 1.042 153 V CB 1.829 33.565 31.823 -0.144 0.000 1.101 153 V HN 0.800 nan 8.190 nan 0.000 0.448 154 A N 0.851 123.352 122.820 -0.531 0.000 2.335 154 A HA 0.783 5.103 4.320 0.000 0.000 0.304 154 A C -0.172 177.183 177.584 -0.382 0.000 1.118 154 A CA -0.441 51.216 52.037 -0.633 0.000 0.757 154 A CB 1.310 19.562 19.000 -1.246 0.000 1.188 154 A HN 0.957 nan 8.150 nan 0.000 0.460 155 S N 2.255 117.800 115.700 -0.258 0.000 2.411 155 S HA 0.414 4.884 4.470 0.000 0.000 0.294 155 S C 0.032 174.579 174.600 -0.088 0.000 1.115 155 S CA -0.477 57.635 58.200 -0.146 0.000 1.071 155 S CB 0.348 63.461 63.200 -0.146 0.000 0.967 155 S HN 0.792 nan 8.310 nan 0.000 0.488 156 E N 2.091 122.286 120.200 -0.008 0.000 2.264 156 E HA 0.518 4.868 4.350 0.000 0.000 0.260 156 E C -0.760 175.857 176.600 0.028 0.000 0.961 156 E CA -0.892 55.523 56.400 0.025 0.000 0.834 156 E CB 0.914 30.669 29.700 0.090 0.000 1.230 156 E HN 0.180 nan 8.360 nan 0.000 0.412 157 D N 0.140 120.558 120.400 0.029 0.000 2.431 157 D HA 0.140 4.780 4.640 0.000 0.000 0.235 157 D C 0.052 176.387 176.300 0.058 0.000 0.980 157 D CA 0.593 54.613 54.000 0.034 0.000 0.912 157 D CB 0.412 41.226 40.800 0.024 0.000 1.056 157 D HN 0.501 nan 8.370 nan 0.000 0.494 158 A N 0.681 123.534 122.820 0.054 0.000 2.774 158 A HA 0.241 4.561 4.320 0.000 0.000 0.326 158 A C 0.564 178.182 177.584 0.056 0.000 1.478 158 A CA -0.528 51.554 52.037 0.074 0.000 1.099 158 A CB -0.713 18.321 19.000 0.056 0.000 1.148 158 A HN 0.081 nan 8.150 nan 0.000 0.519 159 F N 2.186 122.083 119.950 -0.088 0.000 2.091 159 F HA -0.245 4.282 4.527 0.000 0.000 0.299 159 F C 1.148 176.743 175.800 -0.342 0.000 1.103 159 F CA 2.162 60.018 58.000 -0.241 0.000 1.228 159 F CB -0.084 38.719 39.000 -0.328 0.000 0.984 159 F HN 0.666 nan 8.300 nan 0.000 0.477 160 Y N -0.631 119.737 120.300 0.114 0.000 2.462 160 Y HA 0.306 4.856 4.550 0.000 0.000 0.293 160 Y C 1.779 177.646 175.900 -0.056 0.000 1.195 160 Y CA 0.126 58.231 58.100 0.007 0.000 1.276 160 Y CB -0.398 38.123 38.460 0.103 0.000 1.082 160 Y HN 0.163 nan 8.280 nan 0.000 0.514 161 A N -1.017 121.807 122.820 0.007 0.000 2.014 161 A HA 0.063 4.383 4.320 0.000 0.000 0.210 161 A C 1.212 178.747 177.584 -0.081 0.000 1.188 161 A CA 0.284 52.316 52.037 -0.008 0.000 0.731 161 A CB -0.342 18.663 19.000 0.009 0.000 0.858 161 A HN 0.127 nan 8.150 nan 0.000 0.464 162 T N 2.692 117.130 114.554 -0.194 0.000 2.769 162 T HA 0.366 4.716 4.350 0.000 0.000 0.293 162 T C 0.556 175.106 174.700 -0.250 0.000 0.931 162 T CA 0.616 62.552 62.100 -0.272 0.000 1.139 162 T CB 0.256 68.795 68.868 -0.548 0.000 0.881 162 T HN 0.568 nan 8.240 nan 0.000 0.532 163 T N 2.021 116.485 114.554 -0.150 0.000 2.874 163 T HA 0.329 4.679 4.350 0.000 0.000 0.281 163 T C -1.874 172.758 174.700 -0.113 0.000 0.994 163 T CA -2.112 59.923 62.100 -0.108 0.000 1.015 163 T CB 1.136 69.973 68.868 -0.052 0.000 1.028 163 T HN 0.091 nan 8.240 nan 0.000 0.523 164 P HA -0.041 nan 4.420 nan 0.000 0.218 164 P C 1.392 178.682 177.300 -0.016 0.000 1.149 164 P CA 0.805 63.871 63.100 -0.056 0.000 0.817 164 P CB 0.111 31.788 31.700 -0.039 0.000 0.785 165 E N 0.441 120.633 120.200 -0.013 0.000 2.072 165 E HA -0.205 4.145 4.350 0.000 0.000 0.191 165 E C 1.611 178.227 176.600 0.027 0.000 0.985 165 E CA 1.061 57.464 56.400 0.005 0.000 0.801 165 E CB -0.206 29.492 29.700 -0.003 0.000 0.750 165 E HN 0.275 nan 8.360 nan 0.000 0.452 166 E N 0.273 120.490 120.200 0.029 0.000 2.152 166 E HA -0.127 4.223 4.350 0.000 0.000 0.192 166 E C 2.023 178.765 176.600 0.237 0.000 0.983 166 E CA 0.758 57.217 56.400 0.097 0.000 0.818 166 E CB -0.066 29.693 29.700 0.098 0.000 0.758 166 E HN 0.349 nan 8.360 nan 0.000 0.467 167 A N 1.744 124.643 122.820 0.131 0.000 1.877 167 A HA -0.186 4.134 4.320 0.000 0.000 0.216 167 A C 2.076 179.839 177.584 0.299 0.000 1.186 167 A CA 1.213 53.397 52.037 0.245 0.000 0.620 167 A CB -0.351 18.667 19.000 0.029 0.000 0.822 167 A HN 0.069 nan 8.150 nan 0.000 0.443 168 R N -0.399 120.195 120.500 0.157 0.000 2.081 168 R HA -0.103 4.237 4.340 0.000 0.000 0.235 168 R C 2.493 178.873 176.300 0.134 0.000 1.131 168 R CA 1.224 57.398 56.100 0.123 0.000 0.960 168 R CB -0.563 29.774 30.300 0.061 0.000 0.856 168 R HN 0.509 nan 8.270 nan 0.000 0.436 169 A N 0.671 123.557 122.820 0.110 0.000 1.883 169 A HA -0.193 4.127 4.320 0.000 0.000 0.217 169 A C 1.866 179.531 177.584 0.135 0.000 1.186 169 A CA 1.291 53.360 52.037 0.053 0.000 0.624 169 A CB -0.952 18.010 19.000 -0.064 0.000 0.822 169 A HN 0.473 nan 8.150 nan 0.000 0.444 170 W N -0.441 120.995 121.300 0.227 0.000 2.363 170 W HA -0.039 4.621 4.660 0.000 0.000 0.296 170 W C 2.747 179.381 176.519 0.192 0.000 1.212 170 W CA 1.251 58.734 57.345 0.231 0.000 1.260 170 W CB -0.094 29.504 29.460 0.231 0.000 1.131 170 W HN 0.406 nan 8.180 nan 0.000 0.530 171 A N 0.404 123.447 122.820 0.371 0.000 1.978 171 A HA -0.208 4.112 4.320 0.000 0.000 0.220 171 A C 1.877 179.546 177.584 0.141 0.000 1.170 171 A CA 1.461 53.626 52.037 0.214 0.000 0.636 171 A CB -0.649 18.446 19.000 0.157 0.000 0.810 171 A HN 0.322 nan 8.150 nan 0.000 0.448 172 R N -2.241 118.326 120.500 0.110 0.000 2.237 172 R HA -0.078 4.262 4.340 0.000 0.000 0.219 172 R C 0.541 176.742 176.300 -0.164 0.000 1.080 172 R CA 1.082 57.149 56.100 -0.054 0.000 0.995 172 R CB -0.214 30.004 30.300 -0.137 0.000 0.875 172 R HN 0.709 nan 8.270 nan 0.000 0.462 173 Y N -1.019 119.316 120.300 0.059 0.000 2.524 173 Y HA 0.221 4.771 4.550 0.000 0.000 0.266 173 Y C 1.431 177.385 175.900 0.090 0.000 1.180 173 Y CA 0.363 58.507 58.100 0.073 0.000 1.244 173 Y CB 1.231 39.755 38.460 0.107 0.000 1.125 173 Y HN 0.215 nan 8.280 nan 0.000 0.524 174 G N -0.411 108.489 108.800 0.167 0.000 2.179 174 G HA2 -0.253 3.707 3.960 0.000 0.000 0.220 174 G HA3 -0.253 3.707 3.960 0.000 0.000 0.220 174 G C -0.143 174.801 174.900 0.073 0.000 0.990 174 G CA -0.033 45.126 45.100 0.098 0.000 0.646 174 G HN 0.047 nan 8.290 nan 0.000 0.517 175 V N 2.095 122.077 119.914 0.112 0.000 2.521 175 V HA 0.337 4.457 4.120 0.000 0.000 0.286 175 V C 1.815 177.898 176.094 -0.018 0.000 1.034 175 V CA 0.425 62.711 62.300 -0.023 0.000 1.045 175 V CB 1.305 33.057 31.823 -0.118 0.000 0.974 175 V HN 0.311 nan 8.190 nan 0.000 0.480 176 L N 4.170 125.357 121.223 -0.061 0.000 2.298 176 L HA 0.463 4.803 4.340 0.000 0.000 0.209 176 L C 0.884 177.747 176.870 -0.012 0.000 1.084 176 L CA 0.989 55.817 54.840 -0.021 0.000 0.816 176 L CB 0.029 42.072 42.059 -0.026 0.000 0.967 176 L HN 0.792 nan 8.230 nan 0.000 0.460 177 A N -1.389 121.377 122.820 -0.089 0.000 2.566 177 A HA 0.628 4.948 4.320 0.000 0.000 0.290 177 A C -1.882 175.586 177.584 -0.192 0.000 1.071 177 A CA -0.551 51.477 52.037 -0.015 0.000 0.658 177 A CB 0.643 19.656 19.000 0.021 0.000 1.285 177 A HN -0.100 nan 8.150 nan 0.000 0.427 178 F N 0.534 120.431 119.950 -0.089 0.000 2.458 178 F HA 0.686 5.213 4.527 0.000 0.000 0.330 178 F C 0.634 176.385 175.800 -0.082 0.000 1.082 178 F CA 0.046 57.973 58.000 -0.121 0.000 0.995 178 F CB 2.227 41.133 39.000 -0.158 0.000 1.170 178 F HN 0.848 nan 8.300 nan 0.000 0.478 179 E N 0.200 120.440 120.200 0.067 0.000 2.408 179 E HA 0.601 4.951 4.350 0.000 0.000 0.266 179 E C -1.235 175.379 176.600 0.023 0.000 1.025 179 E CA -0.839 55.585 56.400 0.041 0.000 0.881 179 E CB 1.484 31.171 29.700 -0.021 0.000 1.660 179 E HN 0.473 nan 8.360 nan 0.000 0.458 180 M N -0.032 119.567 119.600 -0.002 0.000 3.181 180 M HA 0.392 4.872 4.480 0.000 0.000 0.422 180 M C -0.686 175.582 176.300 -0.053 0.000 1.481 180 M CA 0.148 55.440 55.300 -0.013 0.000 0.783 180 M CB 0.685 33.298 32.600 0.021 0.000 1.437 180 M HN 0.590 nan 8.290 nan 0.000 0.505 181 E N -0.298 119.844 120.200 -0.097 0.000 2.629 181 E HA 0.288 4.638 4.350 0.000 0.000 0.196 181 E C 1.709 178.182 176.600 -0.212 0.000 0.977 181 E CA 0.623 56.951 56.400 -0.120 0.000 1.663 181 E CB 0.016 29.659 29.700 -0.095 0.000 2.258 181 E HN 0.324 nan 8.360 nan 0.000 1.079 182 A N 1.459 124.091 122.820 -0.313 0.000 1.884 182 A HA -0.319 4.001 4.320 0.000 0.000 0.219 182 A C 2.273 179.403 177.584 -0.757 0.000 1.197 182 A CA 2.941 54.588 52.037 -0.650 0.000 0.637 182 A CB -1.239 17.356 19.000 -0.674 0.000 0.827 182 A HN 0.341 nan 8.150 nan 0.000 0.450 183 S N 0.286 115.743 115.700 -0.405 0.000 2.372 183 S HA -0.134 4.336 4.470 0.000 0.000 0.227 183 S C 2.081 176.632 174.600 -0.082 0.000 1.044 183 S CA 1.945 60.035 58.200 -0.184 0.000 1.050 183 S CB -0.944 62.209 63.200 -0.078 0.000 0.901 183 S HN 1.175 nan 8.310 nan 0.000 0.447 184 A N 1.416 124.179 122.820 -0.096 0.000 1.968 184 A HA 0.204 4.524 4.320 0.000 0.000 0.217 184 A C 2.222 179.767 177.584 -0.065 0.000 1.169 184 A CA 1.295 53.302 52.037 -0.051 0.000 0.638 184 A CB -0.747 18.246 19.000 -0.012 0.000 0.812 184 A HN 0.535 nan 8.150 nan 0.000 0.446 185 L N -0.872 120.290 121.223 -0.102 0.000 2.017 185 L HA -0.057 4.283 4.340 0.000 0.000 0.208 185 L C 2.275 179.233 176.870 0.147 0.000 1.073 185 L CA 1.872 56.695 54.840 -0.027 0.000 0.745 185 L CB -0.669 41.340 42.059 -0.084 0.000 0.894 185 L HN 0.468 nan 8.230 nan 0.000 0.432 186 F N -1.392 118.556 119.950 -0.002 0.000 2.102 186 F HA -0.271 4.256 4.527 0.000 0.000 0.298 186 F C 2.382 178.209 175.800 0.044 0.000 1.105 186 F CA 0.716 58.727 58.000 0.018 0.000 1.239 186 F CB -0.376 38.636 39.000 0.020 0.000 0.991 186 F HN 0.248 nan 8.300 nan 0.000 0.474 187 L N 0.883 122.251 121.223 0.242 0.000 1.989 187 L HA -0.204 4.136 4.340 0.000 0.000 0.211 187 L C 2.049 178.880 176.870 -0.065 0.000 1.071 187 L CA 1.720 56.609 54.840 0.082 0.000 0.749 187 L CB -0.921 41.083 42.059 -0.093 0.000 0.890 187 L HN 0.084 nan 8.230 nan 0.000 0.431 188 L N -0.646 120.503 121.223 -0.123 0.000 2.191 188 L HA -0.114 4.226 4.340 0.000 0.000 0.212 188 L C 2.505 179.342 176.870 -0.054 0.000 1.103 188 L CA 0.992 55.732 54.840 -0.166 0.000 0.769 188 L CB -1.371 40.583 42.059 -0.175 0.000 0.908 188 L HN 0.503 nan 8.230 nan 0.000 0.438 189 G N -0.130 108.683 108.800 0.023 0.000 2.446 189 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 189 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 189 G C 1.744 176.657 174.900 0.022 0.000 1.168 189 G CA 0.347 45.471 45.100 0.041 0.000 0.771 189 G HN 0.154 nan 8.290 nan 0.000 0.551 190 R N -0.115 120.406 120.500 0.035 0.000 2.066 190 R HA 0.150 4.490 4.340 0.000 0.000 0.232 190 R C 2.733 179.033 176.300 0.001 0.000 1.131 190 R CA 0.936 57.056 56.100 0.034 0.000 0.955 190 R CB -0.963 29.393 30.300 0.094 0.000 0.851 190 R HN 0.415 nan 8.270 nan 0.000 0.432 191 M N 0.397 119.973 119.600 -0.040 0.000 2.108 191 M HA -0.140 4.340 4.480 0.000 0.000 0.261 191 M C 1.594 177.868 176.300 -0.044 0.000 1.066 191 M CA 1.610 56.870 55.300 -0.066 0.000 1.107 191 M CB -0.071 32.441 32.600 -0.147 0.000 1.356 191 M HN -0.103 nan 8.290 nan 0.000 0.406 192 R N -0.132 120.343 120.500 -0.042 0.000 2.317 192 R HA 0.221 4.561 4.340 0.000 0.000 0.208 192 R C 0.865 177.161 176.300 -0.006 0.000 0.914 192 R CA 0.568 56.655 56.100 -0.022 0.000 1.060 192 R CB -0.592 29.693 30.300 -0.025 0.000 1.015 192 R HN 0.552 nan 8.270 nan 0.000 0.498 193 G N 1.510 110.309 108.800 -0.002 0.000 2.272 193 G HA2 -0.256 3.704 3.960 0.000 0.000 0.280 193 G HA3 -0.256 3.704 3.960 0.000 0.000 0.280 193 G C 0.145 175.051 174.900 0.009 0.000 1.067 193 G CA 0.548 45.652 45.100 0.005 0.000 0.902 193 G HN 0.278 nan 8.290 nan 0.000 0.500 194 V N -4.068 115.854 119.914 0.013 0.000 3.074 194 V HA 0.878 4.998 4.120 0.000 0.000 0.314 194 V C 0.316 176.425 176.094 0.025 0.000 1.117 194 V CA -2.022 60.290 62.300 0.019 0.000 1.014 194 V CB 1.669 33.504 31.823 0.021 0.000 1.057 194 V HN 0.349 nan 8.190 nan 0.000 0.438 195 R N 1.544 122.062 120.500 0.030 0.000 2.254 195 R HA 0.668 5.008 4.340 0.000 0.000 0.318 195 R C -0.108 176.224 176.300 0.053 0.000 1.031 195 R CA 0.010 56.130 56.100 0.033 0.000 0.905 195 R CB 1.451 31.770 30.300 0.031 0.000 1.050 195 R HN 1.054 nan 8.270 nan 0.000 0.456 196 T N -1.105 113.487 114.554 0.063 0.000 2.901 196 T HA 0.842 5.192 4.350 0.000 0.000 0.293 196 T C 0.013 174.793 174.700 0.133 0.000 1.084 196 T CA -0.887 61.287 62.100 0.124 0.000 1.008 196 T CB 2.464 71.459 68.868 0.211 0.000 1.170 196 T HN 0.663 nan 8.240 nan 0.000 0.509 197 G N -0.725 108.215 108.800 0.234 0.000 2.623 197 G HA2 0.805 4.765 3.960 0.000 0.000 0.290 197 G HA3 0.805 4.765 3.960 0.000 0.000 0.290 197 G C -1.771 173.342 174.900 0.354 0.000 1.437 197 G CA -0.521 44.739 45.100 0.268 0.000 0.798 197 G HN 1.339 nan 8.290 nan 0.000 0.488 198 A N -0.133 122.901 122.820 0.356 0.000 2.488 198 A HA 0.765 5.085 4.320 0.000 0.000 0.295 198 A C -1.488 176.195 177.584 0.166 0.000 1.045 198 A CA -0.428 51.746 52.037 0.229 0.000 0.703 198 A CB 1.405 20.511 19.000 0.177 0.000 1.271 198 A HN 1.479 nan 8.150 nan 0.000 0.400 199 I N 2.494 123.117 120.570 0.088 0.000 2.582 199 I HA 0.745 4.915 4.170 0.000 0.000 0.292 199 I C -1.685 174.452 176.117 0.033 0.000 1.066 199 I CA -1.161 60.176 61.300 0.060 0.000 1.053 199 I CB 1.581 39.604 38.000 0.040 0.000 1.241 199 I HN 0.662 nan 8.210 nan 0.000 0.421 200 L N 6.839 128.079 121.223 0.028 0.000 2.354 200 L HA 0.827 5.167 4.340 0.000 0.000 0.264 200 L C -0.567 176.312 176.870 0.014 0.000 1.008 200 L CA -0.744 54.104 54.840 0.014 0.000 0.819 200 L CB 1.943 44.006 42.059 0.007 0.000 1.339 200 L HN 0.619 nan 8.230 nan 0.000 0.420 201 A N 1.483 124.305 122.820 0.004 0.000 2.287 201 A HA 0.672 4.992 4.320 0.000 0.000 0.317 201 A C -0.475 177.110 177.584 0.002 0.000 1.220 201 A CA -0.567 51.470 52.037 -0.000 0.000 0.835 201 A CB 1.139 20.128 19.000 -0.019 0.000 1.180 201 A HN 0.398 nan 8.150 nan 0.000 0.500 202 V N 3.485 123.404 119.914 0.009 0.000 2.458 202 V HA 0.072 4.192 4.120 0.000 0.000 0.287 202 V C 1.452 177.550 176.094 0.006 0.000 1.009 202 V CA 1.278 63.586 62.300 0.013 0.000 1.091 202 V CB 0.513 32.346 31.823 0.017 0.000 0.960 202 V HN 1.113 nan 8.190 nan 0.000 0.476 203 S N 3.085 118.791 115.700 0.011 0.000 2.524 203 S HA 0.213 4.683 4.470 0.000 0.000 0.215 203 S C 0.355 174.963 174.600 0.012 0.000 0.986 203 S CA 0.158 58.361 58.200 0.005 0.000 0.911 203 S CB -0.200 63.003 63.200 0.004 0.000 0.805 203 S HN 1.023 nan 8.310 nan 0.000 0.501 204 N N -0.300 118.411 118.700 0.018 0.000 3.514 204 N HA 0.275 5.015 4.740 0.000 0.000 0.268 204 N C -1.899 173.617 175.510 0.010 0.000 1.391 204 N CA -1.118 51.941 53.050 0.015 0.000 0.821 204 N CB 0.451 38.951 38.487 0.022 0.000 1.563 204 N HN 0.041 nan 8.380 nan 0.000 0.426 205 R N 0.074 120.573 120.500 -0.001 0.000 2.562 205 R HA 0.485 4.825 4.340 0.000 0.000 0.298 205 R C -0.291 175.981 176.300 -0.045 0.000 0.961 205 R CA -1.117 54.978 56.100 -0.008 0.000 0.881 205 R CB 1.256 31.556 30.300 -0.000 0.000 1.159 205 R HN 0.482 nan 8.270 nan 0.000 0.450 206 I N 2.259 122.784 120.570 -0.075 0.000 2.989 206 I HA -0.185 3.985 4.170 0.000 0.000 0.311 206 I C 1.561 177.603 176.117 -0.124 0.000 1.221 206 I CA 1.740 62.941 61.300 -0.166 0.000 1.449 206 I CB -0.260 37.607 38.000 -0.221 0.000 1.325 206 I HN 1.102 nan 8.210 nan 0.000 0.557 207 G N 5.335 114.049 108.800 -0.144 0.000 2.308 207 G HA2 -0.199 3.761 3.960 0.000 0.000 0.221 207 G HA3 -0.199 3.761 3.960 0.000 0.000 0.221 207 G C 0.135 175.012 174.900 -0.039 0.000 1.032 207 G CA -0.236 44.815 45.100 -0.081 0.000 0.623 207 G HN 0.533 nan 8.290 nan 0.000 0.506 208 D N 2.293 122.673 120.400 -0.033 0.000 2.458 208 D HA 0.365 5.005 4.640 0.000 0.000 0.243 208 D C -0.211 176.104 176.300 0.026 0.000 1.146 208 D CA -0.510 53.489 54.000 -0.002 0.000 0.877 208 D CB 1.411 42.211 40.800 0.001 0.000 1.176 208 D HN 0.282 nan 8.370 nan 0.000 0.461 209 P HA -0.030 nan 4.420 nan 0.000 0.229 209 P C -0.212 177.134 177.300 0.077 0.000 1.160 209 P CA 0.773 63.914 63.100 0.069 0.000 0.777 209 P CB 0.892 32.621 31.700 0.047 0.000 0.814 210 E N -1.034 119.198 120.200 0.054 0.000 2.446 210 E HA 0.480 4.830 4.350 0.000 0.000 0.276 210 E C -0.541 176.081 176.600 0.037 0.000 0.969 210 E CA -1.051 55.377 56.400 0.047 0.000 0.800 210 E CB 1.571 31.288 29.700 0.029 0.000 1.341 210 E HN -0.105 nan 8.360 nan 0.000 0.460 211 L N 1.219 122.458 121.223 0.028 0.000 2.421 211 L HA 0.518 4.858 4.340 0.000 0.000 0.263 211 L C 0.656 177.528 176.870 0.004 0.000 1.122 211 L CA -0.757 54.093 54.840 0.017 0.000 0.804 211 L CB 0.607 42.670 42.059 0.006 0.000 1.150 211 L HN 0.650 nan 8.230 nan 0.000 0.457 212 A N 2.237 125.057 122.820 -0.000 0.000 2.504 212 A HA 0.225 4.545 4.320 0.000 0.000 0.242 212 A C -2.202 175.374 177.584 -0.013 0.000 1.100 212 A CA -0.650 51.384 52.037 -0.006 0.000 0.786 212 A CB -0.969 18.026 19.000 -0.007 0.000 1.050 212 A HN 0.518 nan 8.150 nan 0.000 0.512 213 P HA 0.048 nan 4.420 nan 0.000 0.262 213 P C -1.763 175.519 177.300 -0.031 0.000 1.182 213 P CA -0.813 62.276 63.100 -0.018 0.000 0.761 213 P CB 0.179 31.871 31.700 -0.014 0.000 0.795 214 P HA -0.235 nan 4.420 nan 0.000 0.217 214 P C 0.843 178.105 177.300 -0.064 0.000 1.148 214 P CA 1.682 64.748 63.100 -0.057 0.000 0.834 214 P CB 0.216 31.883 31.700 -0.054 0.000 0.783 215 E N 0.180 120.353 120.200 -0.045 0.000 2.017 215 E HA -0.128 4.222 4.350 0.000 0.000 0.193 215 E C 2.272 178.845 176.600 -0.044 0.000 0.997 215 E CA 1.125 57.501 56.400 -0.040 0.000 0.804 215 E CB -1.555 28.131 29.700 -0.023 0.000 0.757 215 E HN 0.033 nan 8.360 nan 0.000 0.448 216 V N 1.195 121.088 119.914 -0.035 0.000 2.231 216 V HA -0.301 3.819 4.120 0.000 0.000 0.248 216 V C 2.364 178.429 176.094 -0.048 0.000 1.054 216 V CA 1.901 64.182 62.300 -0.032 0.000 1.015 216 V CB -0.653 31.158 31.823 -0.021 0.000 0.638 216 V HN 0.236 nan 8.190 nan 0.000 0.444 217 L N -0.479 120.710 121.223 -0.057 0.000 1.990 217 L HA -0.285 4.055 4.340 0.000 0.000 0.213 217 L C 2.757 179.559 176.870 -0.114 0.000 1.072 217 L CA 2.166 56.961 54.840 -0.075 0.000 0.755 217 L CB -0.387 41.626 42.059 -0.077 0.000 0.889 217 L HN 0.399 nan 8.230 nan 0.000 0.432 218 Q N 0.042 119.756 119.800 -0.143 0.000 2.124 218 Q HA -0.283 4.057 4.340 0.000 0.000 0.202 218 Q C 1.882 177.791 176.000 -0.152 0.000 0.977 218 Q CA 2.060 57.733 55.803 -0.216 0.000 0.850 218 Q CB -0.138 28.459 28.738 -0.234 0.000 0.901 218 Q HN 0.420 nan 8.270 nan 0.000 0.429 219 E N -0.942 119.204 120.200 -0.090 0.000 2.106 219 E HA -0.067 4.283 4.350 0.000 0.000 0.192 219 E C 1.775 178.319 176.600 -0.094 0.000 0.984 219 E CA 1.602 57.964 56.400 -0.064 0.000 0.806 219 E CB -0.901 28.772 29.700 -0.045 0.000 0.750 219 E HN 0.431 nan 8.360 nan 0.000 0.458 220 G N -0.017 108.730 108.800 -0.089 0.000 2.408 220 G HA2 -0.187 3.773 3.960 0.000 0.000 0.217 220 G HA3 -0.187 3.773 3.960 0.000 0.000 0.217 220 G C 1.716 176.568 174.900 -0.081 0.000 1.150 220 G CA 0.900 45.948 45.100 -0.088 0.000 0.776 220 G HN 0.251 nan 8.290 nan 0.000 0.542 221 V N 0.616 120.482 119.914 -0.081 0.000 2.295 221 V HA -0.146 3.974 4.120 0.000 0.000 0.246 221 V C 2.784 178.911 176.094 0.056 0.000 1.049 221 V CA 2.067 64.335 62.300 -0.053 0.000 1.024 221 V CB -0.459 31.268 31.823 -0.159 0.000 0.648 221 V HN 0.378 nan 8.190 nan 0.000 0.447 222 R N -0.013 120.550 120.500 0.105 0.000 2.091 222 R HA -0.184 4.156 4.340 0.000 0.000 0.238 222 R C 2.558 178.939 176.300 0.134 0.000 1.136 222 R CA 1.777 58.092 56.100 0.357 0.000 0.959 222 R CB -0.171 30.344 30.300 0.358 0.000 0.856 222 R HN 0.451 nan 8.270 nan 0.000 0.437 223 R N 0.147 120.575 120.500 -0.121 0.000 2.073 223 R HA -0.153 4.187 4.340 0.000 0.000 0.234 223 R C 2.476 178.709 176.300 -0.111 0.000 1.134 223 R CA 1.984 57.852 56.100 -0.387 0.000 0.952 223 R CB -0.462 29.347 30.300 -0.818 0.000 0.850 223 R HN 0.344 nan 8.270 nan 0.000 0.433 224 M N 0.789 120.348 119.600 -0.069 0.000 2.080 224 M HA -0.173 4.307 4.480 0.000 0.000 0.260 224 M C 1.863 178.132 176.300 -0.052 0.000 1.068 224 M CA 1.790 57.074 55.300 -0.026 0.000 1.109 224 M CB -0.019 32.571 32.600 -0.017 0.000 1.342 224 M HN -0.011 nan 8.290 nan 0.000 0.405 225 V N 0.733 120.598 119.914 -0.082 0.000 2.427 225 V HA -0.244 3.876 4.120 0.000 0.000 0.248 225 V C 2.344 178.193 176.094 -0.408 0.000 1.051 225 V CA 2.287 64.436 62.300 -0.252 0.000 1.048 225 V CB -1.038 30.594 31.823 -0.317 0.000 0.666 225 V HN 0.626 nan 8.190 nan 0.000 0.456 226 E N 0.132 120.175 120.200 -0.263 0.000 2.106 226 E HA -0.178 4.172 4.350 0.000 0.000 0.192 226 E C 2.208 178.780 176.600 -0.046 0.000 0.984 226 E CA 1.462 57.784 56.400 -0.130 0.000 0.806 226 E CB 0.032 29.839 29.700 0.178 0.000 0.750 226 E HN 0.424 nan 8.360 nan 0.000 0.458 227 V N 1.171 121.093 119.914 0.013 0.000 2.295 227 V HA -0.255 3.865 4.120 0.000 0.000 0.246 227 V C 2.451 178.521 176.094 -0.040 0.000 1.049 227 V CA 1.854 64.170 62.300 0.025 0.000 1.024 227 V CB -0.717 31.138 31.823 0.053 0.000 0.648 227 V HN 0.439 nan 8.190 nan 0.000 0.447 228 A N -0.395 122.375 122.820 -0.083 0.000 1.902 228 A HA -0.137 4.183 4.320 0.000 0.000 0.217 228 A C 2.213 179.707 177.584 -0.149 0.000 1.181 228 A CA 1.688 53.669 52.037 -0.093 0.000 0.623 228 A CB -0.532 18.413 19.000 -0.093 0.000 0.818 228 A HN 0.493 nan 8.150 nan 0.000 0.443 229 L N -0.447 120.601 121.223 -0.291 0.000 2.046 229 L HA -0.191 4.149 4.340 0.000 0.000 0.208 229 L C 2.649 179.384 176.870 -0.225 0.000 1.077 229 L CA 1.440 55.999 54.840 -0.468 0.000 0.747 229 L CB -0.537 40.891 42.059 -1.052 0.000 0.896 229 L HN 0.408 nan 8.230 nan 0.000 0.432 230 E N 0.092 120.246 120.200 -0.076 0.000 2.106 230 E HA -0.173 4.177 4.350 0.000 0.000 0.192 230 E C 2.270 178.895 176.600 0.042 0.000 0.984 230 E CA 1.263 57.712 56.400 0.083 0.000 0.806 230 E CB -0.107 29.646 29.700 0.087 0.000 0.750 230 E HN 0.500 nan 8.360 nan 0.000 0.458 231 A N 1.662 124.482 122.820 0.001 0.000 1.898 231 A HA -0.123 4.197 4.320 0.000 0.000 0.216 231 A C 2.567 180.159 177.584 0.013 0.000 1.181 231 A CA 1.603 53.643 52.037 0.005 0.000 0.620 231 A CB -0.793 18.206 19.000 -0.002 0.000 0.819 231 A HN 0.204 nan 8.150 nan 0.000 0.442 232 V N -2.728 117.187 119.914 0.002 0.000 2.759 232 V HA -0.113 4.007 4.120 0.000 0.000 0.256 232 V C 1.956 178.072 176.094 0.037 0.000 1.080 232 V CA 1.678 63.988 62.300 0.016 0.000 1.101 232 V CB -0.822 31.002 31.823 0.001 0.000 0.698 232 V HN 0.236 nan 8.190 nan 0.000 0.477 233 L N 0.300 121.558 121.223 0.057 0.000 2.492 233 L HA 0.172 4.512 4.340 0.000 0.000 0.223 233 L C 2.490 179.391 176.870 0.053 0.000 1.132 233 L CA 1.185 56.071 54.840 0.078 0.000 0.850 233 L CB -0.759 41.380 42.059 0.133 0.000 0.966 233 L HN 0.350 nan 8.230 nan 0.000 0.454 234 E N -0.609 119.614 120.200 0.039 0.000 2.318 234 E HA 0.066 4.416 4.350 0.000 0.000 0.193 234 E C 0.754 177.367 176.600 0.022 0.000 0.998 234 E CA 0.411 56.827 56.400 0.026 0.000 0.859 234 E CB 0.265 29.974 29.700 0.016 0.000 0.812 234 E HN 0.352 nan 8.360 nan 0.000 0.492 235 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