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 2nuw_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEIISPIITP FDKQGKVNVD ALKTHAKNLL EKGIDAIFVN GTTGLGPALS DATA SEQUENCE KDEKRQNLNA LYDVTHKLIF QVGSLNLNDV MELVKFSNEM DILGVSSHSP DATA SEQUENCE YYFPRLPEKF LAKYYEEIAR ISSHSLYIYN YPAATGYDIP PSILKSLPVK DATA SEQUENCE GIKDTNQDLA HSLEYKLNLP GVKVYNGSNT LIYYSLLSLD GVVASFTNFI DATA SEQUENCE PEVIVKQRDL IKQGKLDDAL RLQELINRLA DILRKYGSIS AIYVLVNEFQ DATA SEQUENCE GYDVGYPRPP IFPLTDEEAL SLKREIEPLK RKIQELVH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.328 176.300 0.047 0.000 1.140 1 M CA 0.000 55.315 55.300 0.024 0.000 0.988 1 M CB 0.000 32.601 32.600 0.001 0.000 1.302 2 E N 3.107 123.368 120.200 0.101 0.000 2.204 2 E HA 0.681 5.031 4.350 -0.000 0.000 0.276 2 E C -0.766 175.871 176.600 0.061 0.000 0.974 2 E CA -0.727 55.729 56.400 0.094 0.000 0.815 2 E CB 2.539 32.341 29.700 0.170 0.000 1.119 2 E HN 0.513 nan 8.360 nan 0.000 0.393 3 I N 3.982 124.551 120.570 -0.001 0.000 2.354 3 I HA 0.311 4.481 4.170 -0.000 0.000 0.286 3 I C -0.436 175.633 176.117 -0.080 0.000 1.007 3 I CA -0.390 60.892 61.300 -0.031 0.000 1.167 3 I CB 0.611 38.592 38.000 -0.031 0.000 1.320 3 I HN 0.315 nan 8.210 nan 0.000 0.458 4 I N 4.568 125.063 120.570 -0.125 0.000 2.412 4 I HA 0.278 4.448 4.170 -0.000 0.000 0.296 4 I C 0.283 176.333 176.117 -0.111 0.000 0.987 4 I CA -0.395 60.801 61.300 -0.173 0.000 1.180 4 I CB 1.950 39.748 38.000 -0.337 0.000 1.340 4 I HN 0.446 nan 8.210 nan 0.000 0.455 5 S N 7.265 122.917 115.700 -0.080 0.000 2.429 5 S HA 0.466 4.936 4.470 -0.000 0.000 0.302 5 S C -2.456 172.156 174.600 0.020 0.000 1.115 5 S CA -1.593 56.585 58.200 -0.036 0.000 1.095 5 S CB 0.969 64.134 63.200 -0.058 0.000 0.987 5 S HN 0.312 nan 8.310 nan 0.000 0.474 6 P HA 0.253 nan 4.420 nan 0.000 0.266 6 P C -0.145 177.198 177.300 0.072 0.000 1.586 6 P CA -0.295 62.882 63.100 0.129 0.000 1.088 6 P CB -0.085 31.735 31.700 0.200 0.000 1.584 7 I N 4.725 125.314 120.570 0.032 0.000 2.692 7 I HA 0.049 4.219 4.170 -0.000 0.000 0.284 7 I C 1.157 177.306 176.117 0.055 0.000 1.159 7 I CA -0.736 60.594 61.300 0.051 0.000 1.423 7 I CB 0.596 38.605 38.000 0.015 0.000 1.380 7 I HN 0.249 nan 8.210 nan 0.000 0.580 8 I N 3.659 124.266 120.570 0.063 0.000 3.060 8 I HA 0.166 4.336 4.170 -0.000 0.000 0.285 8 I C -0.130 175.973 176.117 -0.022 0.000 1.190 8 I CA -0.251 61.026 61.300 -0.038 0.000 1.363 8 I CB 0.397 38.180 38.000 -0.362 0.000 1.396 8 I HN 0.416 nan 8.210 nan 0.000 0.607 9 T N 5.194 119.754 114.554 0.009 0.000 2.801 9 T HA 0.389 4.739 4.350 -0.000 0.000 0.306 9 T C -2.418 172.190 174.700 -0.153 0.000 1.020 9 T CA -1.036 60.991 62.100 -0.123 0.000 0.948 9 T CB 0.849 69.590 68.868 -0.213 0.000 0.962 9 T HN 0.487 nan 8.240 nan 0.000 0.465 10 P HA 0.342 nan 4.420 nan 0.000 0.271 10 P C -0.867 176.323 177.300 -0.184 0.000 1.220 10 P CA -0.204 62.914 63.100 0.030 0.000 0.768 10 P CB 0.302 32.001 31.700 -0.003 0.000 0.848 11 F N 1.104 121.167 119.950 0.188 0.000 2.579 11 F HA 0.363 4.890 4.527 0.000 0.000 0.324 11 F C 0.924 176.830 175.800 0.178 0.000 1.058 11 F CA -0.563 57.518 58.000 0.134 0.000 0.944 11 F CB 1.046 40.102 39.000 0.094 0.000 1.245 11 F HN 0.260 nan 8.300 nan 0.000 0.477 12 D N 0.018 120.632 120.400 0.357 0.000 2.478 12 D HA 0.202 4.842 4.640 -0.000 0.000 0.269 12 D C 0.764 177.235 176.300 0.285 0.000 1.232 12 D CA -0.548 53.644 54.000 0.320 0.000 1.059 12 D CB 0.627 41.542 40.800 0.193 0.000 1.104 12 D HN 0.282 nan 8.370 nan 0.000 0.566 13 K N -1.371 119.129 120.400 0.167 0.000 2.362 13 K HA -0.078 4.242 4.320 -0.000 0.000 0.200 13 K C 1.426 177.991 176.600 -0.059 0.000 1.046 13 K CA 1.216 57.452 56.287 -0.085 0.000 0.952 13 K CB -0.081 32.339 32.500 -0.133 0.000 0.753 13 K HN 0.308 nan 8.250 nan 0.000 0.466 14 Q N -1.305 118.504 119.800 0.014 0.000 2.360 14 Q HA 0.273 4.613 4.340 -0.000 0.000 0.202 14 Q C 0.547 176.550 176.000 0.005 0.000 0.915 14 Q CA 0.654 56.458 55.803 0.001 0.000 0.943 14 Q CB 0.896 29.648 28.738 0.023 0.000 1.064 14 Q HN 0.355 nan 8.270 nan 0.000 0.511 15 G N 0.801 109.618 108.800 0.029 0.000 2.137 15 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.237 15 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.237 15 G C -0.072 174.950 174.900 0.204 0.000 1.002 15 G CA 0.301 45.405 45.100 0.007 0.000 0.702 15 G HN 0.250 nan 8.290 nan 0.000 0.515 16 K N 0.483 121.033 120.400 0.251 0.000 2.159 16 K HA 0.618 4.938 4.320 -0.000 0.000 0.266 16 K C 0.719 177.474 176.600 0.258 0.000 0.975 16 K CA -0.806 55.623 56.287 0.237 0.000 0.865 16 K CB 1.382 33.958 32.500 0.126 0.000 1.087 16 K HN 0.015 nan 8.250 nan 0.000 0.446 17 V N 3.875 123.869 119.914 0.133 0.000 2.599 17 V HA -0.057 4.063 4.120 -0.000 0.000 0.300 17 V C 0.424 176.490 176.094 -0.047 0.000 1.034 17 V CA -0.175 62.047 62.300 -0.130 0.000 1.115 17 V CB 0.587 32.296 31.823 -0.191 0.000 0.934 17 V HN 0.738 nan 8.190 nan 0.000 0.485 18 N N 4.167 122.828 118.700 -0.066 0.000 2.589 18 N HA 0.147 4.887 4.740 -0.000 0.000 0.232 18 N C 0.609 176.098 175.510 -0.036 0.000 1.015 18 N CA -0.273 52.769 53.050 -0.015 0.000 0.931 18 N CB 1.552 40.050 38.487 0.018 0.000 1.150 18 N HN 0.511 nan 8.380 nan 0.000 0.512 19 V N 0.305 120.203 119.914 -0.027 0.000 2.809 19 V HA -0.016 4.104 4.120 -0.000 0.000 0.256 19 V C 1.267 177.352 176.094 -0.016 0.000 1.080 19 V CA 1.140 63.425 62.300 -0.025 0.000 1.102 19 V CB -0.178 31.635 31.823 -0.016 0.000 0.705 19 V HN 0.328 nan 8.190 nan 0.000 0.475 20 D N 1.870 122.263 120.400 -0.011 0.000 2.097 20 D HA -0.074 4.566 4.640 -0.000 0.000 0.197 20 D C 2.349 178.636 176.300 -0.021 0.000 0.984 20 D CA 1.966 55.957 54.000 -0.014 0.000 0.826 20 D CB -0.261 40.535 40.800 -0.007 0.000 0.973 20 D HN 0.584 nan 8.370 nan 0.000 0.460 21 A N 1.071 123.884 122.820 -0.011 0.000 1.933 21 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 21 A C 2.180 179.767 177.584 0.007 0.000 1.175 21 A CA 0.962 52.997 52.037 -0.004 0.000 0.628 21 A CB -0.693 18.315 19.000 0.014 0.000 0.814 21 A HN 0.222 nan 8.150 nan 0.000 0.444 22 L N -0.073 121.152 121.223 0.002 0.000 2.012 22 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 22 L C 2.193 179.076 176.870 0.020 0.000 1.073 22 L CA 2.315 57.170 54.840 0.026 0.000 0.748 22 L CB -0.528 41.525 42.059 -0.011 0.000 0.891 22 L HN 0.346 nan 8.230 nan 0.000 0.431 23 K N -1.398 118.993 120.400 -0.016 0.000 2.057 23 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 23 K C 1.924 178.480 176.600 -0.073 0.000 1.050 23 K CA 1.742 58.006 56.287 -0.039 0.000 0.935 23 K CB -0.371 32.107 32.500 -0.037 0.000 0.715 23 K HN 0.387 nan 8.250 nan 0.000 0.439 24 T N 0.112 114.606 114.554 -0.100 0.000 2.708 24 T HA -0.192 4.158 4.350 -0.000 0.000 0.266 24 T C 1.705 176.237 174.700 -0.280 0.000 1.037 24 T CA 1.707 63.680 62.100 -0.212 0.000 1.146 24 T CB -0.372 68.331 68.868 -0.275 0.000 0.865 24 T HN 0.340 nan 8.240 nan 0.000 0.435 25 H N 1.542 120.440 119.070 -0.286 0.000 2.321 25 H HA 0.107 4.663 4.556 -0.000 0.000 0.300 25 H C 2.240 177.531 175.328 -0.061 0.000 1.087 25 H CA 1.656 57.625 56.048 -0.132 0.000 1.319 25 H CB -0.708 29.088 29.762 0.057 0.000 1.379 25 H HN 0.291 nan 8.280 nan 0.000 0.501 26 A N 1.042 123.783 122.820 -0.132 0.000 1.883 26 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 26 A C 2.324 179.819 177.584 -0.148 0.000 1.186 26 A CA 2.014 53.947 52.037 -0.173 0.000 0.624 26 A CB -0.495 18.447 19.000 -0.097 0.000 0.822 26 A HN 0.529 nan 8.150 nan 0.000 0.444 27 K N -0.667 119.660 120.400 -0.121 0.000 2.063 27 K HA -0.221 4.099 4.320 -0.000 0.000 0.208 27 K C 2.072 178.617 176.600 -0.092 0.000 1.048 27 K CA 1.625 57.851 56.287 -0.102 0.000 0.928 27 K CB -0.292 32.149 32.500 -0.098 0.000 0.713 27 K HN 0.550 nan 8.250 nan 0.000 0.442 28 N N 1.220 119.858 118.700 -0.102 0.000 2.084 28 N HA -0.134 4.606 4.740 -0.000 0.000 0.190 28 N C 1.621 177.115 175.510 -0.027 0.000 1.030 28 N CA 1.157 54.190 53.050 -0.028 0.000 0.849 28 N CB -0.133 38.400 38.487 0.076 0.000 1.012 28 N HN 0.078 nan 8.380 nan 0.000 0.423 29 L N -0.063 121.101 121.223 -0.098 0.000 2.046 29 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 29 L C 2.260 179.078 176.870 -0.086 0.000 1.077 29 L CA 0.933 55.704 54.840 -0.115 0.000 0.747 29 L CB -0.536 41.391 42.059 -0.220 0.000 0.896 29 L HN 0.257 nan 8.230 nan 0.000 0.432 30 L N -0.558 120.610 121.223 -0.092 0.000 2.056 30 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 30 L C 2.506 179.346 176.870 -0.050 0.000 1.078 30 L CA 1.200 55.995 54.840 -0.075 0.000 0.749 30 L CB -0.497 41.513 42.059 -0.082 0.000 0.901 30 L HN 0.260 nan 8.230 nan 0.000 0.433 31 E N 0.285 120.460 120.200 -0.041 0.000 2.153 31 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 31 E C 1.724 178.315 176.600 -0.016 0.000 0.988 31 E CA 0.950 57.336 56.400 -0.024 0.000 0.811 31 E CB 0.035 29.725 29.700 -0.016 0.000 0.746 31 E HN 0.425 nan 8.360 nan 0.000 0.466 32 K N -0.731 119.659 120.400 -0.016 0.000 2.444 32 K HA 0.064 4.384 4.320 -0.000 0.000 0.193 32 K C 0.833 177.421 176.600 -0.021 0.000 1.024 32 K CA 0.513 56.794 56.287 -0.010 0.000 1.077 32 K CB 0.886 33.387 32.500 0.002 0.000 0.833 32 K HN 0.231 nan 8.250 nan 0.000 0.517 33 G N 1.302 110.084 108.800 -0.030 0.000 2.168 33 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.197 33 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.197 33 G C 0.027 174.903 174.900 -0.041 0.000 0.997 33 G CA -0.671 44.411 45.100 -0.031 0.000 0.658 33 G HN 0.081 nan 8.290 nan 0.000 0.513 34 I N 1.997 122.534 120.570 -0.055 0.000 2.618 34 I HA 0.149 4.319 4.170 -0.000 0.000 0.284 34 I C 1.053 177.126 176.117 -0.074 0.000 1.146 34 I CA -0.091 61.168 61.300 -0.069 0.000 1.425 34 I CB 0.721 38.669 38.000 -0.087 0.000 1.383 34 I HN 0.085 nan 8.210 nan 0.000 0.562 35 D N 4.609 124.965 120.400 -0.074 0.000 2.249 35 D HA 0.181 4.821 4.640 -0.000 0.000 0.205 35 D C 0.560 176.793 176.300 -0.111 0.000 0.962 35 D CA 0.789 54.744 54.000 -0.075 0.000 0.860 35 D CB 0.824 41.595 40.800 -0.048 0.000 0.955 35 D HN 0.646 nan 8.370 nan 0.000 0.505 36 A N -0.019 122.722 122.820 -0.131 0.000 2.601 36 A HA 0.616 4.936 4.320 -0.000 0.000 0.291 36 A C -1.599 175.903 177.584 -0.137 0.000 1.075 36 A CA -0.614 51.329 52.037 -0.157 0.000 0.671 36 A CB 1.120 20.009 19.000 -0.185 0.000 1.277 36 A HN -0.003 nan 8.150 nan 0.000 0.417 37 I N 1.097 121.596 120.570 -0.118 0.000 2.389 37 I HA 0.370 4.540 4.170 -0.000 0.000 0.288 37 I C -1.162 174.948 176.117 -0.012 0.000 0.999 37 I CA -0.377 60.881 61.300 -0.071 0.000 1.129 37 I CB 1.680 39.634 38.000 -0.078 0.000 1.288 37 I HN 0.629 nan 8.210 nan 0.000 0.444 38 F N 8.175 128.020 119.950 -0.175 0.000 2.404 38 F HA 0.469 4.996 4.527 -0.000 0.000 0.358 38 F C -0.402 175.339 175.800 -0.099 0.000 1.120 38 F CA -0.682 57.206 58.000 -0.186 0.000 1.144 38 F CB 0.851 39.697 39.000 -0.257 0.000 1.133 38 F HN 0.030 nan 8.300 nan 0.000 0.495 39 V N 7.139 126.855 119.914 -0.330 0.000 2.394 39 V HA 0.257 4.377 4.120 -0.000 0.000 0.282 39 V C -0.151 175.712 176.094 -0.384 0.000 1.031 39 V CA -0.906 61.259 62.300 -0.226 0.000 0.881 39 V CB 1.109 32.945 31.823 0.022 0.000 0.982 39 V HN 0.852 nan 8.190 nan 0.000 0.451 40 N N 2.175 120.717 118.700 -0.263 0.000 2.815 40 N HA -0.132 4.608 4.740 -0.000 0.000 0.249 40 N C 0.515 175.851 175.510 -0.290 0.000 1.114 40 N CA 1.041 53.977 53.050 -0.190 0.000 0.717 40 N CB -1.134 37.283 38.487 -0.118 0.000 1.074 40 N HN 0.950 nan 8.380 nan 0.000 0.555 41 G N -0.310 108.197 108.800 -0.490 0.000 2.588 41 G HA2 0.278 4.238 3.960 -0.000 0.000 0.278 41 G HA3 0.278 4.238 3.960 -0.000 0.000 0.278 41 G C 1.140 176.145 174.900 0.174 0.000 1.307 41 G CA 0.544 45.496 45.100 -0.247 0.000 1.016 41 G HN 0.106 nan 8.290 nan 0.000 0.503 42 T N 0.069 114.887 114.554 0.440 0.000 2.699 42 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 42 T C 2.626 177.478 174.700 0.254 0.000 1.036 42 T CA 2.097 64.412 62.100 0.357 0.000 1.147 42 T CB -0.456 68.716 68.868 0.507 0.000 0.862 42 T HN 0.472 nan 8.240 nan 0.000 0.446 43 T N 0.976 115.674 114.554 0.240 0.000 2.833 43 T HA 0.002 4.352 4.350 -0.000 0.000 0.269 43 T C 2.031 176.832 174.700 0.167 0.000 1.054 43 T CA 1.156 63.376 62.100 0.200 0.000 1.135 43 T CB -0.482 68.493 68.868 0.179 0.000 0.869 43 T HN 0.519 nan 8.240 nan 0.000 0.466 44 G N 0.490 109.363 108.800 0.121 0.000 3.181 44 G HA2 0.297 4.257 3.960 -0.000 0.000 0.219 44 G HA3 0.297 4.257 3.960 -0.000 0.000 0.219 44 G C 0.413 175.411 174.900 0.164 0.000 1.182 44 G CA -0.343 44.818 45.100 0.101 0.000 0.791 44 G HN 0.377 nan 8.290 nan 0.000 0.537 45 L N -0.769 120.570 121.223 0.194 0.000 4.040 45 L HA -0.201 4.139 4.340 -0.000 0.000 0.410 45 L C 2.223 179.184 176.870 0.151 0.000 1.187 45 L CA 0.369 55.326 54.840 0.195 0.000 0.956 45 L CB -1.752 40.477 42.059 0.283 0.000 2.022 45 L HN 0.286 nan 8.230 nan 0.000 0.897 46 G N 0.193 109.070 108.800 0.129 0.000 2.766 46 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.222 46 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.222 46 G C -0.486 174.485 174.900 0.119 0.000 1.225 46 G CA 1.315 46.485 45.100 0.116 0.000 0.784 46 G HN 0.434 nan 8.290 nan 0.000 0.631 47 P HA 0.039 nan 4.420 nan 0.000 0.221 47 P C 1.727 179.071 177.300 0.073 0.000 1.145 47 P CA 1.718 64.850 63.100 0.053 0.000 0.795 47 P CB -0.135 31.442 31.700 -0.205 0.000 0.775 48 A N -1.397 121.462 122.820 0.065 0.000 2.169 48 A HA 0.067 4.387 4.320 -0.000 0.000 0.212 48 A C 0.967 178.604 177.584 0.088 0.000 1.153 48 A CA 0.301 52.372 52.037 0.057 0.000 0.756 48 A CB -0.805 18.212 19.000 0.029 0.000 0.813 48 A HN 0.127 nan 8.150 nan 0.000 0.471 49 L N 1.478 122.772 121.223 0.119 0.000 2.326 49 L HA 0.286 4.626 4.340 -0.000 0.000 0.278 49 L C 0.912 177.838 176.870 0.094 0.000 1.092 49 L CA -0.606 54.314 54.840 0.132 0.000 0.810 49 L CB 1.453 43.593 42.059 0.134 0.000 1.153 49 L HN 0.358 nan 8.230 nan 0.000 0.439 50 S N 1.764 117.514 115.700 0.083 0.000 2.608 50 S HA 0.082 4.552 4.470 -0.000 0.000 0.261 50 S C 0.964 175.593 174.600 0.047 0.000 1.314 50 S CA -0.504 57.730 58.200 0.058 0.000 0.992 50 S CB 1.157 64.384 63.200 0.045 0.000 0.935 50 S HN 0.747 nan 8.310 nan 0.000 0.564 51 K N 0.386 120.805 120.400 0.031 0.000 2.063 51 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 51 K C 1.101 177.695 176.600 -0.009 0.000 1.048 51 K CA 1.990 58.287 56.287 0.016 0.000 0.928 51 K CB -0.470 32.034 32.500 0.007 0.000 0.713 51 K HN 0.663 nan 8.250 nan 0.000 0.442 52 D N 0.733 121.121 120.400 -0.019 0.000 2.144 52 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 52 D C 1.715 178.001 176.300 -0.024 0.000 0.978 52 D CA 1.136 55.108 54.000 -0.047 0.000 0.833 52 D CB -0.033 40.746 40.800 -0.034 0.000 0.961 52 D HN 0.417 nan 8.370 nan 0.000 0.470 53 E N 0.658 120.870 120.200 0.020 0.000 2.106 53 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 53 E C 2.027 178.658 176.600 0.052 0.000 0.984 53 E CA 0.715 57.140 56.400 0.041 0.000 0.806 53 E CB 0.116 29.868 29.700 0.086 0.000 0.750 53 E HN 0.238 nan 8.360 nan 0.000 0.458 54 K N 0.597 121.042 120.400 0.075 0.000 2.057 54 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 54 K C 2.289 179.040 176.600 0.251 0.000 1.049 54 K CA 0.967 57.345 56.287 0.151 0.000 0.931 54 K CB -0.143 32.424 32.500 0.112 0.000 0.714 54 K HN 0.008 nan 8.250 nan 0.000 0.440 55 R N 1.072 121.627 120.500 0.091 0.000 2.073 55 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 55 R C 2.130 178.380 176.300 -0.085 0.000 1.134 55 R CA 1.479 57.490 56.100 -0.148 0.000 0.952 55 R CB 0.020 30.001 30.300 -0.532 0.000 0.850 55 R HN 0.128 nan 8.270 nan 0.000 0.433 56 Q N 0.500 120.267 119.800 -0.056 0.000 2.170 56 Q HA -0.101 4.239 4.340 -0.000 0.000 0.203 56 Q C 1.729 177.734 176.000 0.009 0.000 0.976 56 Q CA 1.155 56.945 55.803 -0.021 0.000 0.858 56 Q CB -0.450 28.275 28.738 -0.022 0.000 0.907 56 Q HN 0.389 nan 8.270 nan 0.000 0.433 57 N N 0.583 119.299 118.700 0.027 0.000 2.120 57 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 57 N C 1.735 177.264 175.510 0.033 0.000 1.024 57 N CA 0.638 53.704 53.050 0.027 0.000 0.852 57 N CB -0.339 38.174 38.487 0.044 0.000 1.003 57 N HN 0.150 nan 8.380 nan 0.000 0.424 58 L N 1.509 122.753 121.223 0.035 0.000 2.027 58 L HA -0.042 4.298 4.340 -0.000 0.000 0.206 58 L C 1.634 178.499 176.870 -0.009 0.000 1.074 58 L CA 1.534 56.334 54.840 -0.067 0.000 0.745 58 L CB -0.754 41.069 42.059 -0.393 0.000 0.898 58 L HN 0.087 nan 8.230 nan 0.000 0.433 59 N N 0.143 118.872 118.700 0.049 0.000 2.061 59 N HA -0.196 4.544 4.740 -0.000 0.000 0.193 59 N C 1.810 177.377 175.510 0.095 0.000 1.030 59 N CA 1.711 54.813 53.050 0.087 0.000 0.856 59 N CB -0.533 38.007 38.487 0.089 0.000 1.023 59 N HN 0.529 nan 8.380 nan 0.000 0.424 60 A N 1.117 123.969 122.820 0.054 0.000 1.877 60 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 60 A C 2.413 180.020 177.584 0.039 0.000 1.186 60 A CA 0.958 53.017 52.037 0.037 0.000 0.620 60 A CB -0.791 18.216 19.000 0.012 0.000 0.822 60 A HN 0.229 nan 8.150 nan 0.000 0.443 61 L N -2.294 118.952 121.223 0.038 0.000 2.201 61 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 61 L C 2.457 179.361 176.870 0.057 0.000 1.105 61 L CA 1.254 56.109 54.840 0.025 0.000 0.775 61 L CB -0.468 41.597 42.059 0.010 0.000 0.913 61 L HN 0.596 nan 8.230 nan 0.000 0.440 62 Y N 0.618 120.884 120.300 -0.056 0.000 2.497 62 Y HA -0.239 4.311 4.550 -0.000 0.000 0.292 62 Y C 1.820 177.700 175.900 -0.033 0.000 1.137 62 Y CA 0.967 59.035 58.100 -0.055 0.000 1.285 62 Y CB 0.102 38.518 38.460 -0.074 0.000 0.991 62 Y HN 0.232 nan 8.280 nan 0.000 0.556 63 D N -1.196 119.211 120.400 0.010 0.000 2.363 63 D HA -0.066 4.574 4.640 -0.000 0.000 0.220 63 D C 1.742 177.995 176.300 -0.078 0.000 0.994 63 D CA 0.681 54.651 54.000 -0.050 0.000 0.890 63 D CB 0.388 41.184 40.800 -0.007 0.000 0.906 63 D HN 0.266 nan 8.370 nan 0.000 0.530 64 V N -1.218 118.652 119.914 -0.073 0.000 3.048 64 V HA 0.148 4.268 4.120 -0.000 0.000 0.241 64 V C 0.929 176.976 176.094 -0.079 0.000 1.129 64 V CA 0.547 62.804 62.300 -0.071 0.000 1.128 64 V CB 1.089 32.876 31.823 -0.060 0.000 0.849 64 V HN 0.084 nan 8.190 nan 0.000 0.475 65 T N -1.137 113.363 114.554 -0.090 0.000 2.853 65 T HA 0.327 4.677 4.350 -0.000 0.000 0.311 65 T C 0.288 174.943 174.700 -0.074 0.000 1.307 65 T CA -0.235 61.818 62.100 -0.078 0.000 1.019 65 T CB 1.542 70.338 68.868 -0.120 0.000 1.264 65 T HN 0.480 nan 8.240 nan 0.000 0.497 66 H N 1.645 120.647 119.070 -0.113 0.000 2.592 66 H HA 0.359 4.915 4.556 0.000 0.000 0.265 66 H C 0.223 175.542 175.328 -0.016 0.000 0.955 66 H CA -0.179 55.828 56.048 -0.068 0.000 1.175 66 H CB 0.156 29.878 29.762 -0.067 0.000 1.433 66 H HN 0.389 nan 8.280 nan 0.000 0.537 67 K N 1.956 122.050 120.400 -0.509 0.000 2.737 67 K HA 0.314 4.634 4.320 -0.000 0.000 0.251 67 K C -0.658 175.827 176.600 -0.191 0.000 1.280 67 K CA -0.045 56.002 56.287 -0.400 0.000 1.219 67 K CB 0.116 32.341 32.500 -0.459 0.000 1.587 67 K HN 0.214 nan 8.250 nan 0.000 0.279 68 L N 2.136 123.291 121.223 -0.113 0.000 2.362 68 L HA 0.533 4.873 4.340 -0.000 0.000 0.275 68 L C -0.336 176.485 176.870 -0.082 0.000 0.998 68 L CA -0.960 53.836 54.840 -0.074 0.000 0.820 68 L CB 1.777 43.821 42.059 -0.026 0.000 1.270 68 L HN 0.208 nan 8.230 nan 0.000 0.415 69 I N 2.980 123.513 120.570 -0.062 0.000 2.355 69 I HA 0.282 4.452 4.170 -0.000 0.000 0.288 69 I C -0.755 175.433 176.117 0.119 0.000 0.999 69 I CA -0.248 61.019 61.300 -0.055 0.000 1.163 69 I CB 1.638 39.506 38.000 -0.220 0.000 1.316 69 I HN 0.441 nan 8.210 nan 0.000 0.454 70 F N 6.515 126.427 119.950 -0.064 0.000 2.371 70 F HA 0.297 4.824 4.527 0.000 0.000 0.363 70 F C 0.357 176.152 175.800 -0.008 0.000 1.122 70 F CA -0.523 57.440 58.000 -0.061 0.000 1.129 70 F CB 0.652 39.619 39.000 -0.054 0.000 1.173 70 F HN 0.446 nan 8.300 nan 0.000 0.489 71 Q N 5.558 125.178 119.800 -0.300 0.000 2.279 71 Q HA 0.247 4.587 4.340 -0.000 0.000 0.256 71 Q C 0.078 175.758 176.000 -0.533 0.000 0.937 71 Q CA -0.105 55.517 55.803 -0.301 0.000 0.933 71 Q CB 1.859 30.384 28.738 -0.356 0.000 1.189 71 Q HN 0.789 nan 8.270 nan 0.000 0.417 72 V N 1.224 120.898 119.914 -0.399 0.000 3.330 72 V HA 0.478 4.598 4.120 -0.000 0.000 0.309 72 V C 0.698 176.693 176.094 -0.166 0.000 1.481 72 V CA 0.113 62.170 62.300 -0.406 0.000 1.068 72 V CB 0.357 31.939 31.823 -0.402 0.000 0.935 72 V HN 0.595 nan 8.190 nan 0.000 0.453 73 G N 1.523 110.231 108.800 -0.152 0.000 2.380 73 G HA2 0.468 4.428 3.960 -0.000 0.000 0.242 73 G HA3 0.468 4.428 3.960 -0.000 0.000 0.242 73 G C 0.004 174.924 174.900 0.033 0.000 1.298 73 G CA 0.937 45.958 45.100 -0.132 0.000 0.878 73 G HN 1.310 nan 8.290 nan 0.000 0.542 74 S N 0.782 116.580 115.700 0.164 0.000 2.643 74 S HA 0.347 4.817 4.470 -0.000 0.000 0.270 74 S C 0.198 174.942 174.600 0.240 0.000 1.166 74 S CA -0.913 57.433 58.200 0.244 0.000 0.815 74 S CB 0.882 64.175 63.200 0.154 0.000 1.139 74 S HN 0.414 nan 8.310 nan 0.000 0.472 75 L N 1.159 122.499 121.223 0.196 0.000 2.645 75 L HA 0.368 4.708 4.340 -0.000 0.000 0.234 75 L C 0.354 177.269 176.870 0.075 0.000 1.165 75 L CA 0.154 55.051 54.840 0.095 0.000 0.944 75 L CB -0.632 41.442 42.059 0.024 0.000 1.149 75 L HN 0.629 nan 8.230 nan 0.000 0.446 76 N N 0.194 118.947 118.700 0.089 0.000 2.549 76 N HA 0.089 4.829 4.740 -0.000 0.000 0.281 76 N C 0.269 175.818 175.510 0.065 0.000 1.084 76 N CA -0.443 52.639 53.050 0.055 0.000 0.862 76 N CB 1.517 40.026 38.487 0.037 0.000 1.333 76 N HN -0.105 nan 8.380 nan 0.000 0.523 77 L N 3.731 124.989 121.223 0.059 0.000 2.187 77 L HA 0.030 4.370 4.340 -0.000 0.000 0.213 77 L C 1.276 178.140 176.870 -0.010 0.000 1.100 77 L CA 1.581 56.439 54.840 0.030 0.000 0.765 77 L CB -0.483 41.579 42.059 0.005 0.000 0.904 77 L HN 0.536 nan 8.230 nan 0.000 0.437 78 N N -0.087 118.611 118.700 -0.003 0.000 2.166 78 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 78 N C 1.438 176.951 175.510 0.006 0.000 1.019 78 N CA 1.534 54.582 53.050 -0.004 0.000 0.856 78 N CB -0.317 38.168 38.487 -0.003 0.000 0.993 78 N HN 0.409 nan 8.380 nan 0.000 0.426 79 D N 0.333 120.743 120.400 0.016 0.000 2.117 79 D HA -0.047 4.593 4.640 -0.000 0.000 0.198 79 D C 2.123 178.436 176.300 0.021 0.000 0.982 79 D CA 0.440 54.453 54.000 0.022 0.000 0.828 79 D CB -0.313 40.506 40.800 0.031 0.000 0.967 79 D HN -0.020 nan 8.370 nan 0.000 0.464 80 V N 1.311 121.233 119.914 0.014 0.000 2.287 80 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 80 V C 2.417 178.503 176.094 -0.013 0.000 1.053 80 V CA 1.318 63.609 62.300 -0.015 0.000 1.027 80 V CB -0.372 31.417 31.823 -0.056 0.000 0.646 80 V HN 0.205 nan 8.190 nan 0.000 0.447 81 M N -0.486 119.102 119.600 -0.019 0.000 2.229 81 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 81 M C 2.132 178.459 176.300 0.045 0.000 1.063 81 M CA 1.479 56.777 55.300 -0.002 0.000 1.114 81 M CB -1.304 31.284 32.600 -0.020 0.000 1.387 81 M HN 0.559 nan 8.290 nan 0.000 0.420 82 E N 0.669 120.899 120.200 0.050 0.000 2.077 82 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 82 E C 2.069 178.762 176.600 0.155 0.000 0.989 82 E CA 1.019 57.466 56.400 0.078 0.000 0.800 82 E CB 0.007 29.735 29.700 0.047 0.000 0.746 82 E HN 0.472 nan 8.360 nan 0.000 0.452 83 L N 0.313 121.636 121.223 0.167 0.000 2.141 83 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 83 L C 2.506 179.634 176.870 0.430 0.000 1.094 83 L CA 0.441 55.487 54.840 0.342 0.000 0.763 83 L CB -0.239 41.953 42.059 0.222 0.000 0.908 83 L HN 0.114 nan 8.230 nan 0.000 0.437 84 V N 0.181 120.232 119.914 0.227 0.000 2.261 84 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 84 V C 2.461 178.664 176.094 0.182 0.000 1.047 84 V CA 1.832 64.249 62.300 0.195 0.000 1.015 84 V CB -0.506 31.373 31.823 0.094 0.000 0.642 84 V HN 0.427 nan 8.190 nan 0.000 0.446 85 K N -0.430 120.059 120.400 0.148 0.000 2.097 85 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 85 K C 2.092 178.775 176.600 0.138 0.000 1.049 85 K CA 1.973 58.328 56.287 0.113 0.000 0.933 85 K CB -0.433 32.121 32.500 0.090 0.000 0.717 85 K HN 0.536 nan 8.250 nan 0.000 0.442 86 F N 2.083 122.069 119.950 0.060 0.000 2.095 86 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 86 F C 2.288 178.086 175.800 -0.004 0.000 1.104 86 F CA 1.885 59.901 58.000 0.025 0.000 1.232 86 F CB -0.344 38.679 39.000 0.039 0.000 0.987 86 F HN -0.002 nan 8.300 nan 0.000 0.475 87 S N -0.063 115.473 115.700 -0.274 0.000 2.481 87 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 87 S C 1.592 176.154 174.600 -0.064 0.000 0.996 87 S CA 0.807 58.761 58.200 -0.409 0.000 0.942 87 S CB -0.771 62.415 63.200 -0.023 0.000 0.768 87 S HN 0.449 nan 8.310 nan 0.000 0.520 88 N N 2.129 120.833 118.700 0.006 0.000 2.289 88 N HA -0.043 4.697 4.740 -0.000 0.000 0.184 88 N C 1.125 176.585 175.510 -0.083 0.000 1.016 88 N CA 1.082 54.113 53.050 -0.031 0.000 0.872 88 N CB -0.266 38.196 38.487 -0.042 0.000 0.973 88 N HN 0.533 nan 8.380 nan 0.000 0.433 89 E N -0.325 119.799 120.200 -0.127 0.000 2.465 89 E HA 0.139 4.489 4.350 -0.000 0.000 0.191 89 E C 0.136 176.639 176.600 -0.162 0.000 1.053 89 E CA 0.128 56.452 56.400 -0.127 0.000 0.869 89 E CB 0.167 29.795 29.700 -0.120 0.000 0.977 89 E HN 0.416 nan 8.360 nan 0.000 0.483 90 M N 0.382 119.867 119.600 -0.192 0.000 2.535 90 M HA 0.224 4.704 4.480 -0.000 0.000 0.314 90 M C -0.342 175.958 176.300 0.001 0.000 1.153 90 M CA -0.830 54.294 55.300 -0.293 0.000 0.924 90 M CB 1.992 34.103 32.600 -0.814 0.000 1.710 90 M HN -0.333 nan 8.290 nan 0.000 0.451 91 D N 3.926 124.418 120.400 0.154 0.000 2.522 91 D HA 0.393 5.033 4.640 -0.000 0.000 0.218 91 D C -0.943 175.509 176.300 0.255 0.000 1.149 91 D CA -0.112 54.037 54.000 0.248 0.000 0.981 91 D CB -0.145 40.784 40.800 0.215 0.000 1.041 91 D HN 0.536 nan 8.370 nan 0.000 0.518 92 I N -1.913 118.701 120.570 0.074 0.000 3.133 92 I HA 0.363 4.533 4.170 -0.000 0.000 0.311 92 I C 1.020 177.110 176.117 -0.045 0.000 1.072 92 I CA -1.095 60.184 61.300 -0.034 0.000 1.015 92 I CB 1.545 39.410 38.000 -0.226 0.000 1.233 92 I HN -0.097 nan 8.210 nan 0.000 0.473 93 L N 1.127 122.333 121.223 -0.028 0.000 2.109 93 L HA 0.314 4.654 4.340 -0.000 0.000 0.207 93 L C 1.119 178.056 176.870 0.111 0.000 1.086 93 L CA 1.143 56.012 54.840 0.048 0.000 0.760 93 L CB -0.635 41.420 42.059 -0.006 0.000 0.910 93 L HN 0.962 nan 8.230 nan 0.000 0.437 94 G N -1.496 107.300 108.800 -0.006 0.000 2.441 94 G HA2 0.386 4.346 3.960 -0.000 0.000 0.294 94 G HA3 0.386 4.346 3.960 -0.000 0.000 0.294 94 G C -2.193 172.766 174.900 0.098 0.000 1.393 94 G CA -0.346 44.849 45.100 0.158 0.000 0.796 94 G HN -0.266 nan 8.290 nan 0.000 0.494 95 V N -0.457 119.610 119.914 0.256 0.000 2.715 95 V HA 0.907 5.027 4.120 -0.000 0.000 0.310 95 V C -0.176 176.090 176.094 0.286 0.000 1.054 95 V CA 0.060 62.503 62.300 0.238 0.000 0.928 95 V CB 1.890 33.859 31.823 0.244 0.000 1.007 95 V HN 1.436 nan 8.190 nan 0.000 0.437 96 S N 3.539 119.376 115.700 0.229 0.000 2.588 96 S HA 0.809 5.279 4.470 -0.000 0.000 0.275 96 S C -1.140 173.616 174.600 0.261 0.000 1.130 96 S CA -0.115 58.273 58.200 0.314 0.000 0.855 96 S CB 1.956 65.406 63.200 0.416 0.000 1.116 96 S HN 1.255 nan 8.310 nan 0.000 0.472 97 S N 1.021 116.955 115.700 0.389 0.000 2.533 97 S HA 0.565 5.035 4.470 -0.000 0.000 0.271 97 S C -1.114 173.796 174.600 0.517 0.000 1.143 97 S CA -0.717 57.674 58.200 0.319 0.000 0.891 97 S CB 0.648 63.978 63.200 0.218 0.000 1.105 97 S HN 0.969 nan 8.310 nan 0.000 0.468 98 H N 1.017 120.393 119.070 0.510 0.000 2.534 98 H HA 0.728 5.284 4.556 -0.000 0.000 0.364 98 H C 0.757 176.251 175.328 0.277 0.000 1.328 98 H CA -0.184 56.078 56.048 0.356 0.000 1.415 98 H CB 0.088 29.891 29.762 0.069 0.000 1.573 98 H HN 0.543 nan 8.280 nan 0.000 0.601 99 S N -0.087 115.879 115.700 0.443 0.000 2.624 99 S HA 0.300 4.770 4.470 -0.000 0.000 0.263 99 S C -2.431 172.209 174.600 0.066 0.000 1.287 99 S CA -1.239 57.064 58.200 0.172 0.000 0.990 99 S CB 0.312 63.674 63.200 0.270 0.000 0.950 99 S HN 0.603 nan 8.310 nan 0.000 0.561 100 P HA 0.205 nan 4.420 nan 0.000 0.267 100 P C -0.874 176.592 177.300 0.278 0.000 1.201 100 P CA 0.238 63.269 63.100 -0.115 0.000 0.775 100 P CB -0.031 31.503 31.700 -0.275 0.000 0.854 101 Y N 0.320 120.763 120.300 0.238 0.000 2.728 101 Y HA 0.457 5.007 4.550 -0.000 0.000 0.330 101 Y C 0.875 176.966 175.900 0.317 0.000 1.234 101 Y CA -1.203 57.057 58.100 0.266 0.000 1.070 101 Y CB 0.025 38.557 38.460 0.119 0.000 1.300 101 Y HN 0.507 nan 8.280 nan 0.000 0.467 102 Y N -0.085 120.261 120.300 0.076 0.000 2.729 102 Y HA -0.401 4.149 4.550 0.000 0.000 0.483 102 Y C -0.452 175.332 175.900 -0.194 0.000 1.111 102 Y CA 1.258 59.246 58.100 -0.188 0.000 2.927 102 Y CB -1.679 36.437 38.460 -0.574 0.000 0.984 102 Y HN 0.615 nan 8.280 nan 0.000 0.571 103 F N 5.349 125.385 119.950 0.145 0.000 2.541 103 F HA 0.290 4.816 4.527 -0.000 0.000 0.378 103 F C -1.648 174.197 175.800 0.076 0.000 1.068 103 F CA -1.137 56.918 58.000 0.092 0.000 1.199 103 F CB -0.079 39.017 39.000 0.160 0.000 1.091 103 F HN -0.062 nan 8.300 nan 0.000 0.555 104 P HA 0.271 nan 4.420 nan 0.000 0.278 104 P C -0.510 176.872 177.300 0.136 0.000 1.258 104 P CA -0.581 62.550 63.100 0.053 0.000 0.811 104 P CB 0.708 32.364 31.700 -0.073 0.000 1.063 105 R N -1.342 119.227 120.500 0.115 0.000 3.641 105 R HA -0.149 4.191 4.340 -0.000 0.000 0.286 105 R C -0.244 176.086 176.300 0.050 0.000 1.153 105 R CA 0.136 56.286 56.100 0.083 0.000 0.775 105 R CB -2.528 27.783 30.300 0.019 0.000 1.215 105 R HN 0.451 nan 8.270 nan 0.000 0.474 106 L N 1.589 122.891 121.223 0.130 0.000 2.416 106 L HA 0.236 4.576 4.340 -0.000 0.000 0.272 106 L C -1.435 175.253 176.870 -0.303 0.000 1.161 106 L CA -1.821 52.904 54.840 -0.191 0.000 0.845 106 L CB 0.183 42.141 42.059 -0.168 0.000 1.119 106 L HN -0.205 nan 8.230 nan 0.000 0.464 107 P HA -0.020 nan 4.420 nan 0.000 0.269 107 P C 0.499 177.676 177.300 -0.205 0.000 1.209 107 P CA -0.175 62.696 63.100 -0.381 0.000 0.776 107 P CB 0.611 32.022 31.700 -0.481 0.000 0.876 108 E N 2.664 122.832 120.200 -0.053 0.000 2.118 108 E HA -0.274 4.076 4.350 -0.000 0.000 0.195 108 E C 1.528 178.177 176.600 0.081 0.000 0.992 108 E CA 1.419 57.833 56.400 0.023 0.000 0.804 108 E CB -0.002 29.731 29.700 0.055 0.000 0.741 108 E HN 0.458 nan 8.360 nan 0.000 0.458 109 K N -0.420 120.046 120.400 0.109 0.000 2.209 109 K HA -0.165 4.155 4.320 -0.000 0.000 0.204 109 K C 1.720 178.498 176.600 0.296 0.000 1.048 109 K CA 1.257 57.656 56.287 0.186 0.000 0.940 109 K CB -0.327 32.284 32.500 0.185 0.000 0.729 109 K HN 0.054 nan 8.250 nan 0.000 0.451 110 F N 1.631 121.576 119.950 -0.008 0.000 2.146 110 F HA -0.070 4.457 4.527 0.000 0.000 0.298 110 F C 2.001 177.800 175.800 -0.001 0.000 1.096 110 F CA 0.536 58.521 58.000 -0.025 0.000 1.275 110 F CB -0.686 38.264 39.000 -0.083 0.000 1.008 110 F HN -0.084 nan 8.300 nan 0.000 0.480 111 L N 0.014 121.342 121.223 0.175 0.000 2.046 111 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 111 L C 2.625 179.682 176.870 0.311 0.000 1.077 111 L CA 1.852 56.789 54.840 0.161 0.000 0.747 111 L CB -1.835 40.294 42.059 0.116 0.000 0.896 111 L HN 0.100 nan 8.230 nan 0.000 0.432 112 A N -0.685 122.283 122.820 0.246 0.000 1.877 112 A HA -0.226 4.093 4.320 -0.000 0.000 0.216 112 A C 2.365 180.074 177.584 0.208 0.000 1.186 112 A CA 1.736 53.913 52.037 0.232 0.000 0.620 112 A CB -0.427 18.667 19.000 0.157 0.000 0.822 112 A HN 0.384 nan 8.150 nan 0.000 0.443 113 K N -1.839 118.655 120.400 0.157 0.000 2.148 113 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 113 K C 1.929 178.576 176.600 0.078 0.000 1.050 113 K CA 1.521 57.859 56.287 0.086 0.000 0.942 113 K CB -0.354 32.158 32.500 0.021 0.000 0.724 113 K HN 0.620 nan 8.250 nan 0.000 0.446 114 Y N 0.482 120.764 120.300 -0.029 0.000 2.097 114 Y HA -0.317 4.233 4.550 0.000 0.000 0.282 114 Y C 1.845 177.674 175.900 -0.118 0.000 1.152 114 Y CA 1.643 59.670 58.100 -0.122 0.000 1.136 114 Y CB -0.441 37.892 38.460 -0.212 0.000 0.975 114 Y HN 0.023 nan 8.280 nan 0.000 0.498 115 Y N 0.463 120.832 120.300 0.116 0.000 2.293 115 Y HA -0.180 4.370 4.550 -0.000 0.000 0.291 115 Y C 2.433 178.317 175.900 -0.027 0.000 1.137 115 Y CA 1.589 59.703 58.100 0.024 0.000 1.202 115 Y CB -0.281 38.256 38.460 0.128 0.000 0.990 115 Y HN 0.227 nan 8.280 nan 0.000 0.537 116 E N -0.107 120.177 120.200 0.141 0.000 2.118 116 E HA -0.264 4.086 4.350 -0.000 0.000 0.195 116 E C 1.950 178.555 176.600 0.008 0.000 0.992 116 E CA 1.401 57.844 56.400 0.070 0.000 0.804 116 E CB -0.035 29.700 29.700 0.058 0.000 0.741 116 E HN 0.350 nan 8.360 nan 0.000 0.458 117 E N 1.041 121.211 120.200 -0.049 0.000 2.072 117 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 117 E C 1.834 178.378 176.600 -0.093 0.000 0.985 117 E CA 0.885 57.235 56.400 -0.084 0.000 0.801 117 E CB -0.139 29.484 29.700 -0.128 0.000 0.750 117 E HN 0.230 nan 8.360 nan 0.000 0.452 118 I N 0.447 120.931 120.570 -0.144 0.000 2.163 118 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 118 I C 2.339 178.455 176.117 -0.002 0.000 1.085 118 I CA 1.227 62.471 61.300 -0.094 0.000 1.347 118 I CB -0.451 37.481 38.000 -0.112 0.000 1.044 118 I HN 0.185 nan 8.210 nan 0.000 0.408 119 A N 0.482 123.319 122.820 0.029 0.000 2.015 119 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 119 A C 2.421 180.018 177.584 0.020 0.000 1.163 119 A CA 1.343 53.405 52.037 0.042 0.000 0.646 119 A CB -0.603 18.429 19.000 0.053 0.000 0.806 119 A HN 0.348 nan 8.150 nan 0.000 0.448 120 R N -0.777 119.727 120.500 0.006 0.000 2.115 120 R HA -0.051 4.289 4.340 -0.000 0.000 0.230 120 R C 1.274 177.573 176.300 -0.002 0.000 1.111 120 R CA 1.498 57.598 56.100 -0.000 0.000 0.976 120 R CB -0.073 30.222 30.300 -0.008 0.000 0.870 120 R HN 0.447 nan 8.270 nan 0.000 0.445 121 I N -0.669 119.899 120.570 -0.002 0.000 3.790 121 I HA 0.060 4.230 4.170 -0.000 0.000 0.305 121 I C 0.793 176.916 176.117 0.010 0.000 1.253 121 I CA 0.301 61.601 61.300 0.001 0.000 1.355 121 I CB -0.150 37.849 38.000 -0.002 0.000 1.137 121 I HN -0.030 nan 8.210 nan 0.000 0.435 122 S N 1.385 117.100 115.700 0.026 0.000 2.549 122 S HA 0.093 4.563 4.470 -0.000 0.000 0.279 122 S C 1.283 175.886 174.600 0.005 0.000 1.321 122 S CA 0.038 58.267 58.200 0.047 0.000 1.054 122 S CB 0.549 63.809 63.200 0.099 0.000 0.899 122 S HN 0.387 nan 8.310 nan 0.000 0.497 123 S N 3.756 119.418 115.700 -0.063 0.000 2.557 123 S HA 0.260 4.730 4.470 -0.000 0.000 0.223 123 S C 0.315 174.775 174.600 -0.233 0.000 0.969 123 S CA -0.400 57.712 58.200 -0.146 0.000 0.927 123 S CB -0.163 62.921 63.200 -0.193 0.000 0.806 123 S HN 0.768 nan 8.310 nan 0.000 0.489 124 H N 1.337 120.438 119.070 0.052 0.000 2.615 124 H HA 0.497 5.053 4.556 -0.000 0.000 0.346 124 H C -0.100 175.283 175.328 0.091 0.000 1.200 124 H CA -0.752 55.342 56.048 0.077 0.000 1.264 124 H CB 1.422 31.246 29.762 0.103 0.000 1.699 124 H HN 0.142 nan 8.280 nan 0.000 0.567 125 S N 1.332 117.203 115.700 0.286 0.000 2.537 125 S HA 0.007 4.476 4.470 -0.000 0.000 0.286 125 S C 0.186 174.912 174.600 0.210 0.000 1.299 125 S CA -0.379 57.929 58.200 0.180 0.000 1.067 125 S CB -0.057 63.253 63.200 0.182 0.000 0.864 125 S HN 0.241 nan 8.310 nan 0.000 0.494 126 L N 5.304 126.573 121.223 0.077 0.000 2.276 126 L HA 0.477 4.817 4.340 -0.000 0.000 0.286 126 L C -1.415 175.442 176.870 -0.021 0.000 1.061 126 L CA -0.076 54.827 54.840 0.106 0.000 0.807 126 L CB 0.032 42.132 42.059 0.068 0.000 1.177 126 L HN 0.527 nan 8.230 nan 0.000 0.429 127 Y N 5.358 125.712 120.300 0.090 0.000 2.377 127 Y HA 0.538 5.088 4.550 -0.000 0.000 0.339 127 Y C -0.034 175.924 175.900 0.098 0.000 1.011 127 Y CA -0.870 57.268 58.100 0.064 0.000 1.093 127 Y CB 1.596 40.084 38.460 0.047 0.000 1.201 127 Y HN 0.332 nan 8.280 nan 0.000 0.455 128 I N 3.835 124.497 120.570 0.153 0.000 2.359 128 I HA 0.079 4.249 4.170 -0.000 0.000 0.294 128 I C -0.776 175.500 176.117 0.265 0.000 0.987 128 I CA -1.042 60.338 61.300 0.134 0.000 1.225 128 I CB 0.952 38.880 38.000 -0.120 0.000 1.366 128 I HN 0.529 nan 8.210 nan 0.000 0.466 129 Y N 6.659 127.102 120.300 0.238 0.000 2.491 129 Y HA 0.361 4.911 4.550 0.000 0.000 0.334 129 Y C -0.268 175.814 175.900 0.303 0.000 0.969 129 Y CA -1.587 56.663 58.100 0.250 0.000 1.241 129 Y CB 0.614 39.316 38.460 0.403 0.000 1.105 129 Y HN 0.571 nan 8.280 nan 0.000 0.503 130 N N 5.116 124.009 118.700 0.322 0.000 2.437 130 N HA 0.194 4.934 4.740 -0.000 0.000 0.259 130 N C -1.990 173.629 175.510 0.182 0.000 0.983 130 N CA -0.128 53.066 53.050 0.241 0.000 0.937 130 N CB 0.292 38.958 38.487 0.298 0.000 1.122 130 N HN 0.469 nan 8.380 nan 0.000 0.499 131 Y N 6.515 126.777 120.300 -0.064 0.000 2.516 131 Y HA 0.404 4.954 4.550 -0.000 0.000 0.329 131 Y C -2.248 173.607 175.900 -0.075 0.000 1.095 131 Y CA -2.370 55.657 58.100 -0.123 0.000 1.213 131 Y CB 0.992 39.241 38.460 -0.352 0.000 1.109 131 Y HN 0.545 nan 8.280 nan 0.000 0.630 132 P HA -0.138 nan 4.420 nan 0.000 0.218 132 P C 1.489 178.758 177.300 -0.050 0.000 1.148 132 P CA 2.177 65.306 63.100 0.049 0.000 0.822 132 P CB 0.254 31.970 31.700 0.026 0.000 0.784 133 A N -0.305 122.503 122.820 -0.020 0.000 2.019 133 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 133 A C 2.251 179.646 177.584 -0.315 0.000 1.164 133 A CA 2.056 54.026 52.037 -0.111 0.000 0.644 133 A CB -1.294 17.721 19.000 0.025 0.000 0.805 133 A HN 0.248 nan 8.150 nan 0.000 0.449 134 A N -0.973 121.468 122.820 -0.632 0.000 1.924 134 A HA 0.102 4.422 4.320 -0.000 0.000 0.211 134 A C 2.325 179.698 177.584 -0.353 0.000 1.198 134 A CA 1.866 53.506 52.037 -0.662 0.000 0.657 134 A CB -0.812 17.475 19.000 -1.190 0.000 0.852 134 A HN 0.689 nan 8.150 nan 0.000 0.454 135 T N -4.706 109.703 114.554 -0.242 0.000 3.067 135 T HA 0.380 4.730 4.350 -0.000 0.000 0.257 135 T C 1.496 176.202 174.700 0.010 0.000 1.105 135 T CA 1.272 63.371 62.100 -0.001 0.000 1.104 135 T CB 0.168 69.123 68.868 0.144 0.000 0.925 135 T HN 1.691 nan 8.240 nan 0.000 0.498 136 G N 0.351 109.065 108.800 -0.143 0.000 2.176 136 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.253 136 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.253 136 G C -0.175 174.395 174.900 -0.549 0.000 0.979 136 G CA 0.249 45.138 45.100 -0.351 0.000 0.641 136 G HN 0.659 nan 8.290 nan 0.000 0.530 137 Y N 0.075 120.399 120.300 0.040 0.000 2.462 137 Y HA 0.616 5.166 4.550 -0.000 0.000 0.346 137 Y C -0.388 175.569 175.900 0.096 0.000 0.976 137 Y CA -1.144 56.999 58.100 0.071 0.000 1.044 137 Y CB 2.036 40.556 38.460 0.101 0.000 1.230 137 Y HN 0.060 nan 8.280 nan 0.000 0.455 138 D N 2.359 122.913 120.400 0.256 0.000 2.217 138 D HA 0.404 5.044 4.640 -0.000 0.000 0.243 138 D C -0.847 175.620 176.300 0.280 0.000 1.054 138 D CA -0.313 53.832 54.000 0.241 0.000 0.838 138 D CB 1.003 41.918 40.800 0.191 0.000 1.162 138 D HN 0.439 nan 8.370 nan 0.000 0.472 139 I N 5.982 126.734 120.570 0.303 0.000 2.322 139 I HA 0.239 4.409 4.170 -0.000 0.000 0.292 139 I C -1.820 174.457 176.117 0.266 0.000 1.060 139 I CA -1.586 59.868 61.300 0.256 0.000 1.309 139 I CB 1.068 39.187 38.000 0.199 0.000 1.415 139 I HN 0.202 nan 8.210 nan 0.000 0.492 140 P HA 0.273 nan 4.420 nan 0.000 0.282 140 P C -2.348 175.035 177.300 0.140 0.000 1.249 140 P CA -1.951 61.239 63.100 0.149 0.000 0.806 140 P CB 0.816 32.578 31.700 0.103 0.000 0.984 141 P HA -0.192 nan 4.420 nan 0.000 0.218 141 P C 1.536 178.874 177.300 0.062 0.000 1.146 141 P CA 1.659 64.827 63.100 0.113 0.000 0.820 141 P CB -0.284 31.458 31.700 0.070 0.000 0.778 142 S N -0.487 115.245 115.700 0.054 0.000 2.359 142 S HA -0.184 4.286 4.470 -0.000 0.000 0.223 142 S C 1.880 176.508 174.600 0.046 0.000 1.039 142 S CA 1.313 59.540 58.200 0.044 0.000 1.042 142 S CB -1.094 62.133 63.200 0.046 0.000 0.915 142 S HN 0.199 nan 8.310 nan 0.000 0.439 143 I N 1.069 121.674 120.570 0.058 0.000 2.439 143 I HA -0.085 4.085 4.170 -0.000 0.000 0.251 143 I C 1.948 178.079 176.117 0.024 0.000 1.139 143 I CA 0.839 62.173 61.300 0.057 0.000 1.438 143 I CB -0.315 37.735 38.000 0.084 0.000 1.085 143 I HN 0.224 nan 8.210 nan 0.000 0.427 144 L N 0.477 121.706 121.223 0.010 0.000 2.093 144 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 144 L C 2.398 179.257 176.870 -0.018 0.000 1.085 144 L CA 1.238 56.059 54.840 -0.032 0.000 0.755 144 L CB -0.564 41.473 42.059 -0.037 0.000 0.904 144 L HN 0.170 nan 8.230 nan 0.000 0.435 145 K N -0.471 119.932 120.400 0.005 0.000 2.211 145 K HA -0.163 4.157 4.320 -0.000 0.000 0.204 145 K C 2.263 178.864 176.600 0.002 0.000 1.047 145 K CA 1.447 57.736 56.287 0.003 0.000 0.935 145 K CB -0.139 32.367 32.500 0.011 0.000 0.728 145 K HN 0.116 nan 8.250 nan 0.000 0.452 146 S N 0.181 115.887 115.700 0.010 0.000 2.496 146 S HA 0.091 4.561 4.470 -0.000 0.000 0.224 146 S C 0.585 175.192 174.600 0.012 0.000 0.996 146 S CA -0.025 58.184 58.200 0.015 0.000 0.927 146 S CB 0.150 63.367 63.200 0.028 0.000 0.774 146 S HN 0.062 nan 8.310 nan 0.000 0.524 147 L N 2.124 123.348 121.223 0.001 0.000 2.352 147 L HA 0.478 4.818 4.340 -0.000 0.000 0.269 147 L C -2.043 174.816 176.870 -0.018 0.000 1.034 147 L CA -2.324 52.516 54.840 -0.001 0.000 0.806 147 L CB 1.173 43.226 42.059 -0.011 0.000 1.244 147 L HN -0.030 nan 8.230 nan 0.000 0.447 148 P HA 0.104 nan 4.420 nan 0.000 0.220 148 P C -0.480 176.792 177.300 -0.047 0.000 1.806 148 P CA -0.098 62.989 63.100 -0.023 0.000 0.976 148 P CB 0.019 31.716 31.700 -0.006 0.000 1.952 149 V N 3.132 123.002 119.914 -0.073 0.000 2.572 149 V HA 0.042 4.162 4.120 -0.000 0.000 0.291 149 V C 1.595 177.593 176.094 -0.160 0.000 1.039 149 V CA 0.455 62.682 62.300 -0.122 0.000 1.055 149 V CB 1.100 32.838 31.823 -0.141 0.000 0.969 149 V HN 0.225 nan 8.190 nan 0.000 0.482 150 K N 2.870 123.117 120.400 -0.256 0.000 2.350 150 K HA 0.309 4.629 4.320 -0.000 0.000 0.196 150 K C 0.648 176.998 176.600 -0.418 0.000 1.084 150 K CA 0.733 56.830 56.287 -0.316 0.000 0.967 150 K CB 1.103 33.401 32.500 -0.337 0.000 0.950 150 K HN 0.799 nan 8.250 nan 0.000 0.512 151 G N 0.638 109.091 108.800 -0.578 0.000 2.704 151 G HA2 0.657 4.617 3.960 -0.000 0.000 0.293 151 G HA3 0.657 4.617 3.960 -0.000 0.000 0.293 151 G C -1.436 173.386 174.900 -0.130 0.000 1.421 151 G CA -0.591 44.301 45.100 -0.345 0.000 0.870 151 G HN -0.025 nan 8.290 nan 0.000 0.492 152 I N 0.485 121.046 120.570 -0.015 0.000 2.499 152 I HA 0.350 4.520 4.170 -0.000 0.000 0.288 152 I C -0.589 175.590 176.117 0.105 0.000 1.048 152 I CA -0.753 60.510 61.300 -0.062 0.000 1.062 152 I CB 2.673 40.430 38.000 -0.404 0.000 1.238 152 I HN 0.198 nan 8.210 nan 0.000 0.426 153 K N 4.125 124.599 120.400 0.123 0.000 2.334 153 K HA 0.316 4.636 4.320 -0.000 0.000 0.265 153 K C -1.146 175.567 176.600 0.188 0.000 1.039 153 K CA -0.605 55.750 56.287 0.112 0.000 0.920 153 K CB 1.224 33.626 32.500 -0.163 0.000 1.160 153 K HN 0.348 nan 8.250 nan 0.000 0.451 154 D N 2.384 122.893 120.400 0.182 0.000 2.454 154 D HA 0.088 4.728 4.640 -0.000 0.000 0.225 154 D C -0.852 175.520 176.300 0.119 0.000 1.081 154 D CA -0.300 53.836 54.000 0.226 0.000 0.864 154 D CB 0.945 41.969 40.800 0.374 0.000 1.040 154 D HN 0.224 nan 8.370 nan 0.000 0.517 155 T N 4.701 119.270 114.554 0.024 0.000 2.782 155 T HA 0.316 4.666 4.350 -0.000 0.000 0.298 155 T C -0.255 174.396 174.700 -0.082 0.000 0.944 155 T CA -0.511 61.484 62.100 -0.173 0.000 1.001 155 T CB -0.094 68.364 68.868 -0.684 0.000 0.932 155 T HN 0.265 nan 8.240 nan 0.000 0.524 156 N N 1.776 120.461 118.700 -0.026 0.000 2.431 156 N HA 0.101 4.841 4.740 -0.000 0.000 0.275 156 N C 0.059 175.565 175.510 -0.005 0.000 1.091 156 N CA -0.454 52.583 53.050 -0.021 0.000 0.922 156 N CB 2.070 40.526 38.487 -0.053 0.000 1.666 156 N HN 0.188 nan 8.380 nan 0.000 0.484 157 Q N 0.260 120.055 119.800 -0.008 0.000 2.451 157 Q HA 0.036 4.376 4.340 -0.000 0.000 0.206 157 Q C -0.580 175.417 176.000 -0.006 0.000 0.947 157 Q CA 0.682 56.486 55.803 0.001 0.000 0.937 157 Q CB -0.049 28.693 28.738 0.006 0.000 1.025 157 Q HN 0.500 nan 8.270 nan 0.000 0.511 158 D N 0.451 120.844 120.400 -0.011 0.000 2.428 158 D HA 0.030 4.669 4.640 -0.000 0.000 0.221 158 D C 0.779 177.096 176.300 0.028 0.000 1.123 158 D CA -0.279 53.720 54.000 -0.002 0.000 0.869 158 D CB 0.644 41.446 40.800 0.003 0.000 1.032 158 D HN -0.086 nan 8.370 nan 0.000 0.506 159 L N 4.306 125.527 121.223 -0.003 0.000 2.191 159 L HA 0.002 4.342 4.340 -0.000 0.000 0.212 159 L C 2.175 179.051 176.870 0.011 0.000 1.103 159 L CA 1.567 56.411 54.840 0.007 0.000 0.769 159 L CB -0.671 41.365 42.059 -0.039 0.000 0.908 159 L HN 0.547 nan 8.230 nan 0.000 0.438 160 A N -1.782 121.034 122.820 -0.007 0.000 2.019 160 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 160 A C 2.323 179.890 177.584 -0.028 0.000 1.164 160 A CA 1.654 53.678 52.037 -0.022 0.000 0.644 160 A CB -0.895 18.088 19.000 -0.029 0.000 0.805 160 A HN 0.648 nan 8.150 nan 0.000 0.449 161 H N 0.175 119.189 119.070 -0.092 0.000 2.363 161 H HA -0.040 4.516 4.556 -0.000 0.000 0.301 161 H C 2.035 177.239 175.328 -0.206 0.000 1.074 161 H CA 1.787 57.739 56.048 -0.159 0.000 1.354 161 H CB 0.067 29.765 29.762 -0.108 0.000 1.397 161 H HN 0.459 nan 8.280 nan 0.000 0.516 162 S N 0.840 116.595 115.700 0.092 0.000 2.368 162 S HA -0.102 4.368 4.470 -0.000 0.000 0.224 162 S C 2.236 176.871 174.600 0.058 0.000 1.029 162 S CA 0.777 59.073 58.200 0.159 0.000 0.988 162 S CB -0.298 63.010 63.200 0.180 0.000 0.838 162 S HN 0.226 nan 8.310 nan 0.000 0.462 163 L N 2.232 123.452 121.223 -0.005 0.000 2.083 163 L HA -0.038 4.302 4.340 -0.000 0.000 0.209 163 L C 2.293 179.127 176.870 -0.059 0.000 1.083 163 L CA 1.710 56.537 54.840 -0.023 0.000 0.752 163 L CB -0.656 41.385 42.059 -0.030 0.000 0.899 163 L HN 0.342 nan 8.230 nan 0.000 0.433 164 E N -1.643 118.468 120.200 -0.149 0.000 2.085 164 E HA -0.286 4.064 4.350 -0.000 0.000 0.194 164 E C 2.128 178.636 176.600 -0.154 0.000 0.994 164 E CA 1.490 57.768 56.400 -0.203 0.000 0.801 164 E CB -0.244 29.242 29.700 -0.357 0.000 0.743 164 E HN 0.566 nan 8.360 nan 0.000 0.453 165 Y N 1.105 121.329 120.300 -0.128 0.000 2.165 165 Y HA -0.183 4.367 4.550 0.000 0.000 0.286 165 Y C 2.358 178.208 175.900 -0.083 0.000 1.155 165 Y CA 1.339 59.376 58.100 -0.104 0.000 1.164 165 Y CB -0.322 38.085 38.460 -0.087 0.000 0.978 165 Y HN -0.027 nan 8.280 nan 0.000 0.513 166 K N -0.506 119.947 120.400 0.088 0.000 2.044 166 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 166 K C 1.843 178.442 176.600 -0.001 0.000 1.049 166 K CA 1.638 57.934 56.287 0.015 0.000 0.927 166 K CB -0.508 31.985 32.500 -0.012 0.000 0.713 166 K HN 0.184 nan 8.250 nan 0.000 0.443 167 L N 1.476 122.693 121.223 -0.010 0.000 2.017 167 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 167 L C 1.704 178.565 176.870 -0.014 0.000 1.073 167 L CA 1.661 56.489 54.840 -0.020 0.000 0.745 167 L CB -0.802 41.236 42.059 -0.034 0.000 0.894 167 L HN 0.171 nan 8.230 nan 0.000 0.432 168 N N -0.619 118.078 118.700 -0.006 0.000 2.424 168 N HA 0.088 4.828 4.740 -0.000 0.000 0.178 168 N C 0.321 175.838 175.510 0.012 0.000 1.060 168 N CA 0.470 53.521 53.050 0.001 0.000 0.901 168 N CB 0.279 38.766 38.487 -0.000 0.000 0.979 168 N HN 0.258 nan 8.380 nan 0.000 0.451 169 L N 1.660 122.893 121.223 0.017 0.000 2.502 169 L HA 0.401 4.741 4.340 -0.000 0.000 0.247 169 L C -2.527 174.331 176.870 -0.020 0.000 1.180 169 L CA -1.667 53.173 54.840 -0.001 0.000 0.956 169 L CB 1.431 43.489 42.059 -0.001 0.000 1.282 169 L HN -0.366 nan 8.230 nan 0.000 0.470 170 P HA 0.014 nan 4.420 nan 0.000 0.260 170 P C 1.083 178.362 177.300 -0.035 0.000 1.172 170 P CA 1.036 64.121 63.100 -0.025 0.000 0.760 170 P CB 0.775 32.463 31.700 -0.020 0.000 0.773 171 G N 1.462 110.238 108.800 -0.040 0.000 2.199 171 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.254 171 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.254 171 G C 0.162 175.023 174.900 -0.066 0.000 0.982 171 G CA -0.094 44.978 45.100 -0.046 0.000 0.632 171 G HN 0.538 nan 8.290 nan 0.000 0.529 172 V N 1.612 121.479 119.914 -0.078 0.000 2.583 172 V HA 0.367 4.487 4.120 -0.000 0.000 0.287 172 V C 0.851 176.864 176.094 -0.134 0.000 1.051 172 V CA -0.252 61.980 62.300 -0.113 0.000 1.010 172 V CB 1.528 33.279 31.823 -0.120 0.000 0.988 172 V HN 0.301 nan 8.190 nan 0.000 0.478 173 K N 3.165 123.468 120.400 -0.161 0.000 2.249 173 K HA 0.572 4.892 4.320 -0.000 0.000 0.280 173 K C -1.024 175.360 176.600 -0.359 0.000 1.033 173 K CA -0.374 55.763 56.287 -0.251 0.000 0.946 173 K CB 1.564 33.970 32.500 -0.158 0.000 1.005 173 K HN 0.438 nan 8.250 nan 0.000 0.469 174 V N 4.345 123.963 119.914 -0.493 0.000 2.531 174 V HA 0.342 4.462 4.120 -0.000 0.000 0.301 174 V C -1.252 174.533 176.094 -0.515 0.000 1.034 174 V CA -0.945 61.143 62.300 -0.353 0.000 0.865 174 V CB 0.775 32.528 31.823 -0.116 0.000 0.995 174 V HN 0.594 nan 8.190 nan 0.000 0.424 175 Y N 2.642 122.948 120.300 0.010 0.000 2.446 175 Y HA 0.487 5.037 4.550 0.000 0.000 0.345 175 Y C 0.340 176.248 175.900 0.014 0.000 0.984 175 Y CA -0.753 57.346 58.100 -0.002 0.000 1.058 175 Y CB 1.631 40.067 38.460 -0.041 0.000 1.220 175 Y HN 0.568 nan 8.280 nan 0.000 0.455 176 N N 0.874 119.667 118.700 0.155 0.000 2.430 176 N HA 0.219 4.959 4.740 -0.000 0.000 0.292 176 N C 0.506 176.051 175.510 0.058 0.000 1.051 176 N CA -0.008 53.106 53.050 0.105 0.000 0.917 176 N CB 1.988 40.530 38.487 0.091 0.000 1.164 176 N HN 1.020 nan 8.380 nan 0.000 0.484 177 G N 1.190 110.001 108.800 0.018 0.000 3.042 177 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.212 177 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.212 177 G C 0.455 175.313 174.900 -0.069 0.000 1.166 177 G CA -0.042 45.035 45.100 -0.037 0.000 0.767 177 G HN 0.523 nan 8.290 nan 0.000 0.546 178 S N 0.479 116.149 115.700 -0.050 0.000 2.499 178 S HA 0.153 4.623 4.470 -0.000 0.000 0.275 178 S C 1.420 175.955 174.600 -0.108 0.000 1.257 178 S CA -0.697 57.461 58.200 -0.070 0.000 1.050 178 S CB 0.473 63.658 63.200 -0.024 0.000 0.937 178 S HN 0.279 nan 8.310 nan 0.000 0.490 179 N N 2.896 121.458 118.700 -0.230 0.000 2.309 179 N HA -0.094 4.645 4.740 -0.000 0.000 0.182 179 N C 1.621 177.004 175.510 -0.212 0.000 1.018 179 N CA 1.690 54.520 53.050 -0.367 0.000 0.876 179 N CB -0.339 37.561 38.487 -0.978 0.000 0.972 179 N HN 0.848 nan 8.380 nan 0.000 0.434 180 T N -1.857 112.623 114.554 -0.124 0.000 3.148 180 T HA 0.190 4.540 4.350 -0.000 0.000 0.253 180 T C 1.411 176.162 174.700 0.085 0.000 1.134 180 T CA 0.226 62.318 62.100 -0.014 0.000 1.051 180 T CB -0.080 68.795 68.868 0.011 0.000 0.959 180 T HN 0.088 nan 8.240 nan 0.000 0.525 181 L N -0.322 120.959 121.223 0.096 0.000 3.069 181 L HA 0.473 4.813 4.340 -0.000 0.000 0.271 181 L C 1.668 178.649 176.870 0.184 0.000 1.201 181 L CA -0.216 54.771 54.840 0.245 0.000 1.015 181 L CB -0.061 42.117 42.059 0.198 0.000 1.371 181 L HN 0.146 nan 8.230 nan 0.000 0.574 182 I N 0.080 120.695 120.570 0.075 0.000 2.113 182 I HA -0.415 3.755 4.170 -0.000 0.000 0.242 182 I C 2.537 178.686 176.117 0.054 0.000 1.064 182 I CA 2.206 63.534 61.300 0.046 0.000 1.320 182 I CB -0.327 37.678 38.000 0.009 0.000 1.028 182 I HN 0.326 nan 8.210 nan 0.000 0.406 183 Y N 0.914 121.134 120.300 -0.134 0.000 2.114 183 Y HA -0.373 4.176 4.550 -0.000 0.000 0.282 183 Y C 2.454 178.256 175.900 -0.163 0.000 1.165 183 Y CA 1.906 59.878 58.100 -0.214 0.000 1.148 183 Y CB -0.495 37.728 38.460 -0.396 0.000 0.972 183 Y HN 0.090 nan 8.280 nan 0.000 0.504 184 Y N -0.481 119.851 120.300 0.052 0.000 2.242 184 Y HA -0.180 4.370 4.550 -0.000 0.000 0.291 184 Y C 2.793 178.649 175.900 -0.074 0.000 1.137 184 Y CA 1.445 59.516 58.100 -0.049 0.000 1.181 184 Y CB -0.943 37.552 38.460 0.058 0.000 0.989 184 Y HN 0.073 nan 8.280 nan 0.000 0.527 185 S N 0.164 115.940 115.700 0.127 0.000 2.368 185 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 185 S C 2.031 176.632 174.600 0.002 0.000 1.030 185 S CA 1.136 59.373 58.200 0.062 0.000 0.999 185 S CB -0.603 62.640 63.200 0.071 0.000 0.844 185 S HN 0.360 nan 8.310 nan 0.000 0.459 186 L N 0.754 121.957 121.223 -0.033 0.000 2.275 186 L HA 0.017 4.357 4.340 -0.000 0.000 0.215 186 L C 1.589 178.400 176.870 -0.099 0.000 1.119 186 L CA 0.837 55.641 54.840 -0.060 0.000 0.790 186 L CB -0.366 41.651 42.059 -0.069 0.000 0.919 186 L HN 0.277 nan 8.230 nan 0.000 0.443 187 L N -1.273 119.863 121.223 -0.144 0.000 2.607 187 L HA 0.063 4.403 4.340 -0.000 0.000 0.228 187 L C 1.565 178.392 176.870 -0.071 0.000 1.123 187 L CA 0.401 55.154 54.840 -0.145 0.000 0.890 187 L CB 0.069 41.974 42.059 -0.257 0.000 1.103 187 L HN 0.322 nan 8.230 nan 0.000 0.468 188 S N -2.611 113.063 115.700 -0.043 0.000 2.546 188 S HA 0.286 4.756 4.470 -0.000 0.000 0.282 188 S C 0.303 174.884 174.600 -0.033 0.000 1.074 188 S CA -0.480 57.703 58.200 -0.027 0.000 1.254 188 S CB 0.475 63.671 63.200 -0.006 0.000 1.103 188 S HN 0.077 nan 8.310 nan 0.000 0.589 189 L N 1.334 122.534 121.223 -0.037 0.000 2.293 189 L HA 0.597 4.937 4.340 -0.000 0.000 0.264 189 L C 0.490 177.298 176.870 -0.105 0.000 1.029 189 L CA -0.925 53.874 54.840 -0.068 0.000 0.897 189 L CB 0.611 42.641 42.059 -0.048 0.000 1.497 189 L HN -0.034 nan 8.230 nan 0.000 0.495 190 D N -0.222 120.047 120.400 -0.218 0.000 2.347 190 D HA 0.177 4.817 4.640 -0.000 0.000 0.213 190 D C 0.580 176.832 176.300 -0.080 0.000 0.985 190 D CA 0.827 54.681 54.000 -0.244 0.000 0.879 190 D CB 1.000 41.510 40.800 -0.483 0.000 0.919 190 D HN 0.668 nan 8.370 nan 0.000 0.526 191 G N -0.116 108.689 108.800 0.008 0.000 2.368 191 G HA2 0.276 4.236 3.960 -0.000 0.000 0.269 191 G HA3 0.276 4.236 3.960 -0.000 0.000 0.269 191 G C -1.498 173.555 174.900 0.255 0.000 1.291 191 G CA -0.198 45.034 45.100 0.221 0.000 0.903 191 G HN 0.176 nan 8.290 nan 0.000 0.483 192 V N -2.794 117.240 119.914 0.200 0.000 2.962 192 V HA 0.893 5.013 4.120 -0.000 0.000 0.313 192 V C -0.519 175.574 176.094 -0.001 0.000 1.099 192 V CA -1.013 61.345 62.300 0.097 0.000 0.971 192 V CB 1.841 33.684 31.823 0.033 0.000 1.028 192 V HN 1.250 nan 8.190 nan 0.000 0.430 193 V N 2.603 122.492 119.914 -0.041 0.000 2.383 193 V HA 0.762 4.882 4.120 -0.000 0.000 0.261 193 V C 0.471 176.530 176.094 -0.058 0.000 0.987 193 V CA 0.240 62.469 62.300 -0.118 0.000 0.853 193 V CB 0.596 32.272 31.823 -0.244 0.000 1.095 193 V HN 1.316 nan 8.190 nan 0.000 0.461 194 A N 1.994 124.789 122.820 -0.043 0.000 2.288 194 A HA 0.639 4.959 4.320 -0.000 0.000 0.320 194 A C 1.301 178.891 177.584 0.011 0.000 1.217 194 A CA 0.219 52.231 52.037 -0.042 0.000 0.840 194 A CB 1.314 20.271 19.000 -0.071 0.000 1.179 194 A HN 0.858 nan 8.150 nan 0.000 0.504 195 S N 2.214 117.947 115.700 0.054 0.000 2.419 195 S HA -0.132 4.338 4.470 -0.000 0.000 0.233 195 S C 1.205 175.994 174.600 0.316 0.000 1.016 195 S CA 1.273 59.584 58.200 0.185 0.000 0.974 195 S CB -0.529 62.817 63.200 0.244 0.000 0.786 195 S HN 0.560 nan 8.310 nan 0.000 0.492 196 F N 3.544 123.475 119.950 -0.032 0.000 2.451 196 F HA 0.026 4.553 4.527 -0.000 0.000 0.299 196 F C 2.757 178.287 175.800 -0.449 0.000 1.101 196 F CA 0.494 58.329 58.000 -0.275 0.000 1.436 196 F CB -1.782 37.015 39.000 -0.338 0.000 1.074 196 F HN 0.460 nan 8.300 nan 0.000 0.553 197 T N -2.616 111.912 114.554 -0.044 0.000 2.897 197 T HA -0.220 4.130 4.350 -0.000 0.000 0.271 197 T C 1.810 176.469 174.700 -0.069 0.000 1.084 197 T CA 1.376 63.422 62.100 -0.091 0.000 1.123 197 T CB -0.504 68.333 68.868 -0.051 0.000 0.865 197 T HN 0.272 nan 8.240 nan 0.000 0.496 198 N N 1.238 119.958 118.700 0.033 0.000 2.166 198 N HA -0.027 4.713 4.740 -0.000 0.000 0.186 198 N C 1.480 177.120 175.510 0.217 0.000 1.019 198 N CA 1.836 54.998 53.050 0.188 0.000 0.856 198 N CB -0.205 38.443 38.487 0.268 0.000 0.993 198 N HN 0.806 nan 8.380 nan 0.000 0.426 199 F N -0.278 119.633 119.950 -0.065 0.000 2.752 199 F HA 0.388 4.915 4.527 -0.000 0.000 0.310 199 F C 0.960 176.593 175.800 -0.279 0.000 1.097 199 F CA -0.526 57.363 58.000 -0.186 0.000 1.238 199 F CB -0.146 38.657 39.000 -0.329 0.000 1.061 199 F HN -0.182 nan 8.300 nan 0.000 0.591 200 I N -1.700 118.405 120.570 -0.776 0.000 2.998 200 I HA 0.448 4.618 4.170 -0.000 0.000 0.338 200 I C -2.133 173.824 176.117 -0.265 0.000 1.413 200 I CA -1.978 59.017 61.300 -0.508 0.000 0.880 200 I CB 0.551 38.151 38.000 -0.667 0.000 2.051 200 I HN -0.271 nan 8.210 nan 0.000 0.561 201 P HA -0.218 nan 4.420 nan 0.000 0.216 201 P C 1.400 178.664 177.300 -0.060 0.000 1.150 201 P CA 1.688 64.733 63.100 -0.093 0.000 0.837 201 P CB 0.120 31.787 31.700 -0.055 0.000 0.786 202 E N 0.490 120.670 120.200 -0.033 0.000 2.153 202 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 202 E C 1.982 178.573 176.600 -0.014 0.000 0.988 202 E CA 1.097 57.491 56.400 -0.010 0.000 0.811 202 E CB -1.696 28.017 29.700 0.022 0.000 0.746 202 E HN 0.119 nan 8.360 nan 0.000 0.466 203 V N 1.574 121.470 119.914 -0.030 0.000 2.379 203 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 203 V C 2.598 178.677 176.094 -0.025 0.000 1.044 203 V CA 1.525 63.813 62.300 -0.021 0.000 1.036 203 V CB -0.420 31.381 31.823 -0.038 0.000 0.664 203 V HN 0.165 nan 8.190 nan 0.000 0.453 204 I N -0.403 120.140 120.570 -0.045 0.000 2.286 204 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 204 I C 2.326 178.430 176.117 -0.021 0.000 1.104 204 I CA 0.901 62.181 61.300 -0.032 0.000 1.397 204 I CB -0.327 37.644 38.000 -0.048 0.000 1.072 204 I HN 0.123 nan 8.210 nan 0.000 0.417 205 V N 1.092 120.990 119.914 -0.026 0.000 2.407 205 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 205 V C 2.510 178.596 176.094 -0.013 0.000 1.055 205 V CA 1.835 64.123 62.300 -0.020 0.000 1.049 205 V CB -0.672 31.138 31.823 -0.022 0.000 0.662 205 V HN 0.351 nan 8.190 nan 0.000 0.455 206 K N 0.357 120.750 120.400 -0.011 0.000 2.097 206 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 206 K C 2.169 178.770 176.600 0.002 0.000 1.050 206 K CA 1.487 57.769 56.287 -0.008 0.000 0.938 206 K CB -0.348 32.148 32.500 -0.007 0.000 0.718 206 K HN 0.534 nan 8.250 nan 0.000 0.442 207 Q N -0.227 119.578 119.800 0.009 0.000 2.061 207 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 207 Q C 2.190 178.201 176.000 0.018 0.000 0.984 207 Q CA 1.408 57.228 55.803 0.027 0.000 0.846 207 Q CB -0.198 28.563 28.738 0.038 0.000 0.902 207 Q HN 0.170 nan 8.270 nan 0.000 0.421 208 R N 0.952 121.454 120.500 0.003 0.000 2.073 208 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 208 R C 1.346 177.643 176.300 -0.006 0.000 1.134 208 R CA 1.771 57.868 56.100 -0.006 0.000 0.952 208 R CB -0.310 29.986 30.300 -0.007 0.000 0.850 208 R HN 0.287 nan 8.270 nan 0.000 0.433 209 D N 0.686 121.082 120.400 -0.006 0.000 2.144 209 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 209 D C 2.071 178.369 176.300 -0.004 0.000 0.984 209 D CA 0.883 54.879 54.000 -0.007 0.000 0.834 209 D CB -0.205 40.589 40.800 -0.011 0.000 0.955 209 D HN 0.238 nan 8.370 nan 0.000 0.465 210 L N 0.226 121.450 121.223 0.003 0.000 2.056 210 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 210 L C 2.486 179.363 176.870 0.012 0.000 1.078 210 L CA 0.649 55.495 54.840 0.010 0.000 0.749 210 L CB -0.239 41.834 42.059 0.022 0.000 0.901 210 L HN -0.002 nan 8.230 nan 0.000 0.433 211 I N -0.128 120.446 120.570 0.008 0.000 2.208 211 I HA -0.334 3.836 4.170 -0.000 0.000 0.245 211 I C 2.633 178.741 176.117 -0.016 0.000 1.097 211 I CA 1.352 62.645 61.300 -0.011 0.000 1.363 211 I CB -0.246 37.726 38.000 -0.047 0.000 1.051 211 I HN 0.225 nan 8.210 nan 0.000 0.413 212 K N 0.709 121.101 120.400 -0.013 0.000 2.152 212 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 212 K C 1.876 178.472 176.600 -0.007 0.000 1.048 212 K CA 1.376 57.656 56.287 -0.012 0.000 0.933 212 K CB 0.051 32.545 32.500 -0.010 0.000 0.721 212 K HN 0.394 nan 8.250 nan 0.000 0.447 213 Q N -1.236 118.562 119.800 -0.004 0.000 2.403 213 Q HA 0.091 4.431 4.340 -0.000 0.000 0.203 213 Q C 0.616 176.617 176.000 0.002 0.000 0.932 213 Q CA 0.445 56.247 55.803 -0.001 0.000 0.945 213 Q CB 0.838 29.576 28.738 -0.000 0.000 1.045 213 Q HN 0.562 nan 8.270 nan 0.000 0.511 214 G N 1.806 110.607 108.800 0.003 0.000 2.148 214 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.254 214 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.254 214 G C 0.010 174.921 174.900 0.019 0.000 0.981 214 G CA 0.031 45.135 45.100 0.007 0.000 0.670 214 G HN 0.255 nan 8.290 nan 0.000 0.528 215 K N 0.784 121.198 120.400 0.023 0.000 2.518 215 K HA 0.470 4.790 4.320 -0.000 0.000 0.244 215 K C 1.800 178.435 176.600 0.058 0.000 1.232 215 K CA -0.538 55.768 56.287 0.032 0.000 1.189 215 K CB 0.083 32.596 32.500 0.022 0.000 1.737 215 K HN 0.325 nan 8.250 nan 0.000 0.333 216 L N 0.236 121.506 121.223 0.079 0.000 2.093 216 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 216 L C 1.303 178.262 176.870 0.148 0.000 1.085 216 L CA 1.092 56.032 54.840 0.167 0.000 0.755 216 L CB -0.281 41.884 42.059 0.178 0.000 0.904 216 L HN 0.432 nan 8.230 nan 0.000 0.435 217 D N 0.445 120.885 120.400 0.067 0.000 2.123 217 D HA -0.188 4.452 4.640 -0.000 0.000 0.196 217 D C 1.780 178.073 176.300 -0.013 0.000 0.992 217 D CA 1.288 55.294 54.000 0.009 0.000 0.833 217 D CB -0.208 40.597 40.800 0.009 0.000 0.954 217 D HN 0.280 nan 8.370 nan 0.000 0.455 218 D N 0.254 120.662 120.400 0.013 0.000 2.117 218 D HA -0.085 4.555 4.640 -0.000 0.000 0.197 218 D C 1.997 178.299 176.300 0.004 0.000 0.987 218 D CA 1.253 55.257 54.000 0.007 0.000 0.829 218 D CB -0.321 40.489 40.800 0.017 0.000 0.961 218 D HN 0.164 nan 8.370 nan 0.000 0.460 219 A N 0.560 123.406 122.820 0.044 0.000 1.930 219 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 219 A C 2.118 179.673 177.584 -0.048 0.000 1.175 219 A CA 0.813 52.897 52.037 0.079 0.000 0.627 219 A CB -0.579 18.552 19.000 0.219 0.000 0.815 219 A HN 0.228 nan 8.150 nan 0.000 0.443 220 L N -0.493 120.578 121.223 -0.254 0.000 2.141 220 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 220 L C 2.332 179.025 176.870 -0.295 0.000 1.094 220 L CA 1.495 55.964 54.840 -0.619 0.000 0.763 220 L CB -0.467 41.141 42.059 -0.752 0.000 0.908 220 L HN 0.205 nan 8.230 nan 0.000 0.437 221 R N -0.353 120.055 120.500 -0.153 0.000 2.096 221 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 221 R C 2.231 178.498 176.300 -0.055 0.000 1.127 221 R CA 1.473 57.524 56.100 -0.082 0.000 0.968 221 R CB -1.014 29.263 30.300 -0.039 0.000 0.861 221 R HN 0.417 nan 8.270 nan 0.000 0.440 222 L N 0.549 121.744 121.223 -0.045 0.000 2.056 222 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 222 L C 2.637 179.494 176.870 -0.022 0.000 1.078 222 L CA 1.207 56.039 54.840 -0.014 0.000 0.749 222 L CB -0.435 41.626 42.059 0.003 0.000 0.901 222 L HN 0.112 nan 8.230 nan 0.000 0.433 223 Q N 0.672 120.428 119.800 -0.075 0.000 2.124 223 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 223 Q C 1.952 177.923 176.000 -0.048 0.000 0.977 223 Q CA 1.703 57.460 55.803 -0.078 0.000 0.850 223 Q CB -0.045 28.576 28.738 -0.196 0.000 0.901 223 Q HN 0.444 nan 8.270 nan 0.000 0.429 224 E N -0.425 119.733 120.200 -0.070 0.000 2.085 224 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 224 E C 1.965 178.579 176.600 0.023 0.000 0.994 224 E CA 1.335 57.719 56.400 -0.027 0.000 0.801 224 E CB -0.167 29.509 29.700 -0.041 0.000 0.743 224 E HN 0.373 nan 8.360 nan 0.000 0.453 225 L N 0.543 121.785 121.223 0.031 0.000 2.093 225 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 225 L C 2.440 179.375 176.870 0.108 0.000 1.085 225 L CA 0.768 55.648 54.840 0.068 0.000 0.755 225 L CB -0.326 41.773 42.059 0.068 0.000 0.904 225 L HN 0.158 nan 8.230 nan 0.000 0.435 226 I N 0.239 120.874 120.570 0.108 0.000 2.208 226 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 226 I C 2.100 178.348 176.117 0.219 0.000 1.097 226 I CA 1.275 62.688 61.300 0.189 0.000 1.363 226 I CB -0.361 37.721 38.000 0.137 0.000 1.051 226 I HN 0.353 nan 8.210 nan 0.000 0.413 227 N N 0.792 119.567 118.700 0.125 0.000 2.188 227 N HA -0.112 4.628 4.740 -0.000 0.000 0.184 227 N C 1.842 177.434 175.510 0.136 0.000 1.018 227 N CA 1.038 54.157 53.050 0.116 0.000 0.858 227 N CB -0.262 38.268 38.487 0.071 0.000 0.989 227 N HN 0.293 nan 8.380 nan 0.000 0.426 228 R N 0.319 120.891 120.500 0.121 0.000 2.081 228 R HA 0.026 4.366 4.340 -0.000 0.000 0.235 228 R C 2.119 178.510 176.300 0.151 0.000 1.131 228 R CA 0.694 56.864 56.100 0.116 0.000 0.960 228 R CB -0.434 29.922 30.300 0.092 0.000 0.856 228 R HN 0.221 nan 8.270 nan 0.000 0.436 229 L N 0.218 121.554 121.223 0.189 0.000 2.017 229 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 229 L C 2.671 179.703 176.870 0.269 0.000 1.073 229 L CA 1.300 56.261 54.840 0.202 0.000 0.745 229 L CB -0.562 41.623 42.059 0.210 0.000 0.894 229 L HN 0.266 nan 8.230 nan 0.000 0.432 230 A N -0.315 122.750 122.820 0.408 0.000 1.908 230 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 230 A C 1.931 179.674 177.584 0.264 0.000 1.181 230 A CA 2.288 54.593 52.037 0.446 0.000 0.627 230 A CB -0.696 18.483 19.000 0.298 0.000 0.818 230 A HN 0.464 nan 8.150 nan 0.000 0.445 231 D N -0.411 120.104 120.400 0.190 0.000 2.144 231 D HA -0.089 4.551 4.640 -0.000 0.000 0.199 231 D C 1.694 178.081 176.300 0.146 0.000 0.984 231 D CA 1.186 55.271 54.000 0.141 0.000 0.834 231 D CB -0.190 40.675 40.800 0.108 0.000 0.955 231 D HN 0.511 nan 8.370 nan 0.000 0.465 232 I N -0.379 120.289 120.570 0.164 0.000 2.252 232 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 232 I C 1.869 178.148 176.117 0.270 0.000 1.102 232 I CA 0.377 61.791 61.300 0.190 0.000 1.385 232 I CB -0.049 38.051 38.000 0.166 0.000 1.064 232 I HN 0.070 nan 8.210 nan 0.000 0.414 233 L N 0.437 121.800 121.223 0.233 0.000 2.131 233 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 233 L C 2.522 179.557 176.870 0.275 0.000 1.092 233 L CA 1.605 56.595 54.840 0.250 0.000 0.759 233 L CB -0.782 41.383 42.059 0.177 0.000 0.903 233 L HN 0.103 nan 8.230 nan 0.000 0.435 234 R N 0.236 120.862 120.500 0.210 0.000 2.103 234 R HA -0.245 4.095 4.340 -0.000 0.000 0.242 234 R C 2.166 178.522 176.300 0.093 0.000 1.142 234 R CA 1.893 58.082 56.100 0.150 0.000 0.960 234 R CB -0.479 29.891 30.300 0.116 0.000 0.858 234 R HN 0.505 nan 8.270 nan 0.000 0.439 235 K N -0.497 119.920 120.400 0.029 0.000 2.283 235 K HA -0.149 4.171 4.320 -0.000 0.000 0.202 235 K C 1.113 177.586 176.600 -0.211 0.000 1.048 235 K CA 1.503 57.708 56.287 -0.137 0.000 0.948 235 K CB -0.095 32.236 32.500 -0.283 0.000 0.742 235 K HN 0.256 nan 8.250 nan 0.000 0.458 236 Y N 1.094 121.419 120.300 0.042 0.000 2.510 236 Y HA 0.230 4.780 4.550 0.000 0.000 0.273 236 Y C 0.718 176.653 175.900 0.058 0.000 1.119 236 Y CA 0.406 58.530 58.100 0.040 0.000 1.286 236 Y CB 0.930 39.407 38.460 0.029 0.000 1.061 236 Y HN 0.308 nan 8.280 nan 0.000 0.542 237 G N -0.063 108.862 108.800 0.210 0.000 3.439 237 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.686 237 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.686 237 G C 0.363 175.382 174.900 0.199 0.000 1.075 237 G CA -0.072 45.135 45.100 0.178 0.000 0.926 237 G HN 0.128 nan 8.290 nan 0.000 0.485 238 S N 1.612 117.433 115.700 0.202 0.000 2.353 238 S HA -0.114 4.356 4.470 -0.000 0.000 0.222 238 S C 2.598 177.331 174.600 0.222 0.000 1.035 238 S CA 1.621 59.959 58.200 0.229 0.000 1.025 238 S CB -0.183 63.185 63.200 0.280 0.000 0.902 238 S HN 0.626 nan 8.310 nan 0.000 0.440 239 I N 1.437 122.147 120.570 0.234 0.000 2.179 239 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 239 I C 2.457 178.767 176.117 0.322 0.000 1.088 239 I CA 1.023 62.484 61.300 0.269 0.000 1.357 239 I CB -0.435 37.728 38.000 0.272 0.000 1.051 239 I HN 0.208 nan 8.210 nan 0.000 0.409 240 S N 0.710 116.560 115.700 0.250 0.000 2.368 240 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 240 S C 2.249 176.967 174.600 0.196 0.000 1.030 240 S CA 1.308 59.637 58.200 0.214 0.000 0.999 240 S CB -0.392 62.892 63.200 0.142 0.000 0.844 240 S HN 0.553 nan 8.310 nan 0.000 0.459 241 A N 1.444 124.333 122.820 0.116 0.000 1.933 241 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 241 A C 2.026 179.531 177.584 -0.132 0.000 1.175 241 A CA 1.062 53.076 52.037 -0.038 0.000 0.628 241 A CB -0.723 18.229 19.000 -0.080 0.000 0.814 241 A HN 0.489 nan 8.150 nan 0.000 0.444 242 I N -1.760 118.770 120.570 -0.066 0.000 2.194 242 I HA -0.345 3.825 4.170 -0.000 0.000 0.246 242 I C 2.364 178.399 176.117 -0.136 0.000 1.093 242 I CA 1.705 62.902 61.300 -0.172 0.000 1.355 242 I CB -0.501 37.510 38.000 0.020 0.000 1.046 242 I HN 0.444 nan 8.210 nan 0.000 0.413 243 Y N 0.049 120.292 120.300 -0.095 0.000 2.165 243 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 243 Y C 2.587 178.397 175.900 -0.150 0.000 1.155 243 Y CA 1.394 59.430 58.100 -0.107 0.000 1.164 243 Y CB -0.688 37.739 38.460 -0.056 0.000 0.978 243 Y HN -0.078 nan 8.280 nan 0.000 0.513 244 V N 0.165 120.090 119.914 0.019 0.000 2.343 244 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 244 V C 2.149 178.172 176.094 -0.118 0.000 1.051 244 V CA 1.667 63.928 62.300 -0.065 0.000 1.036 244 V CB -0.649 31.119 31.823 -0.090 0.000 0.654 244 V HN 0.416 nan 8.190 nan 0.000 0.451 245 L N -0.690 120.403 121.223 -0.216 0.000 2.217 245 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 245 L C 2.430 179.282 176.870 -0.030 0.000 1.107 245 L CA 0.607 55.318 54.840 -0.214 0.000 0.783 245 L CB -0.550 41.012 42.059 -0.828 0.000 0.919 245 L HN 0.210 nan 8.230 nan 0.000 0.442 246 V N 0.397 120.251 119.914 -0.100 0.000 2.287 246 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 246 V C 2.392 178.362 176.094 -0.206 0.000 1.053 246 V CA 2.087 64.325 62.300 -0.104 0.000 1.027 246 V CB -0.621 31.056 31.823 -0.244 0.000 0.646 246 V HN 0.520 nan 8.190 nan 0.000 0.447 247 N N -0.087 118.496 118.700 -0.195 0.000 2.120 247 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 247 N C 1.863 177.305 175.510 -0.114 0.000 1.024 247 N CA 1.431 54.366 53.050 -0.191 0.000 0.852 247 N CB -0.128 38.282 38.487 -0.128 0.000 1.003 247 N HN 0.453 nan 8.380 nan 0.000 0.424 248 E N -0.590 119.580 120.200 -0.049 0.000 2.072 248 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 248 E C 1.765 178.318 176.600 -0.079 0.000 0.985 248 E CA 0.871 57.230 56.400 -0.067 0.000 0.801 248 E CB -0.344 29.313 29.700 -0.072 0.000 0.750 248 E HN 0.439 nan 8.360 nan 0.000 0.452 249 F N 0.570 120.482 119.950 -0.063 0.000 2.387 249 F HA 0.021 4.548 4.527 -0.000 0.000 0.294 249 F C 2.348 178.124 175.800 -0.040 0.000 1.093 249 F CA 0.621 58.615 58.000 -0.010 0.000 1.420 249 F CB 0.272 39.325 39.000 0.088 0.000 1.086 249 F HN -0.092 nan 8.300 nan 0.000 0.531 250 Q N -0.730 119.102 119.800 0.053 0.000 2.350 250 Q HA 0.299 4.639 4.340 -0.000 0.000 0.225 250 Q C 1.674 177.587 176.000 -0.145 0.000 0.878 250 Q CA 0.864 56.626 55.803 -0.068 0.000 0.935 250 Q CB 0.664 29.278 28.738 -0.208 0.000 1.099 250 Q HN 0.414 nan 8.270 nan 0.000 0.527 251 G N 1.436 110.121 108.800 -0.192 0.000 2.132 251 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.234 251 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.234 251 G C -0.275 174.622 174.900 -0.004 0.000 0.989 251 G CA 0.615 45.673 45.100 -0.070 0.000 0.676 251 G HN 0.356 nan 8.290 nan 0.000 0.522 252 Y N -1.523 118.791 120.300 0.023 0.000 2.588 252 Y HA 0.770 5.321 4.550 0.000 0.000 0.343 252 Y C -0.558 175.330 175.900 -0.019 0.000 1.065 252 Y CA -2.261 55.843 58.100 0.007 0.000 1.038 252 Y CB 0.860 39.331 38.460 0.018 0.000 1.297 252 Y HN 0.030 nan 8.280 nan 0.000 0.467 253 D N 0.826 121.319 120.400 0.155 0.000 2.264 253 D HA 0.374 5.014 4.640 -0.000 0.000 0.250 253 D C 0.296 176.641 176.300 0.075 0.000 1.113 253 D CA -0.397 53.627 54.000 0.039 0.000 0.871 253 D CB 1.761 42.567 40.800 0.010 0.000 1.167 253 D HN 0.675 nan 8.370 nan 0.000 0.447 254 V N 1.671 121.573 119.914 -0.019 0.000 3.176 254 V HA 0.586 4.706 4.120 -0.000 0.000 0.332 254 V C 1.179 177.289 176.094 0.028 0.000 1.414 254 V CA 0.312 62.600 62.300 -0.019 0.000 1.133 254 V CB -0.374 31.342 31.823 -0.178 0.000 1.088 254 V HN 0.775 nan 8.190 nan 0.000 0.473 255 G N 1.009 109.726 108.800 -0.138 0.000 2.556 255 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.283 255 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.283 255 G C -0.457 174.063 174.900 -0.633 0.000 1.177 255 G CA 0.690 45.538 45.100 -0.422 0.000 0.978 255 G HN 0.745 nan 8.290 nan 0.000 0.554 256 Y N 0.965 121.301 120.300 0.059 0.000 2.609 256 Y HA 0.659 5.209 4.550 -0.000 0.000 0.342 256 Y C -1.931 173.599 175.900 -0.616 0.000 1.058 256 Y CA -1.472 56.441 58.100 -0.311 0.000 1.055 256 Y CB 1.986 40.360 38.460 -0.144 0.000 1.292 256 Y HN 0.554 nan 8.280 nan 0.000 0.476 257 P HA 0.237 nan 4.420 nan 0.000 0.279 257 P C -1.084 176.006 177.300 -0.350 0.000 1.282 257 P CA -0.559 62.245 63.100 -0.493 0.000 0.788 257 P CB 1.195 32.651 31.700 -0.408 0.000 1.139 258 R N 0.527 120.685 120.500 -0.569 0.000 2.393 258 R HA 0.450 4.790 4.340 -0.000 0.000 0.315 258 R C -2.431 173.546 176.300 -0.538 0.000 0.952 258 R CA -2.308 53.368 56.100 -0.708 0.000 0.842 258 R CB 0.697 30.229 30.300 -1.280 0.000 1.163 258 R HN 0.280 nan 8.270 nan 0.000 0.450 259 P HA -0.043 nan 4.420 nan 0.000 0.263 259 P C -1.890 175.069 177.300 -0.568 0.000 1.175 259 P CA -0.636 61.904 63.100 -0.934 0.000 0.761 259 P CB 0.396 31.441 31.700 -1.091 0.000 0.794 260 P HA -0.014 nan 4.420 nan 0.000 0.239 260 P C 0.136 177.231 177.300 -0.341 0.000 1.184 260 P CA 0.978 63.811 63.100 -0.445 0.000 0.760 260 P CB 0.191 31.825 31.700 -0.109 0.000 0.884 261 I N 1.060 121.439 120.570 -0.319 0.000 2.224 261 I HA 0.184 4.354 4.170 -0.000 0.000 0.293 261 I C 0.498 176.503 176.117 -0.187 0.000 1.155 261 I CA -1.652 59.571 61.300 -0.128 0.000 1.297 261 I CB -1.812 36.153 38.000 -0.058 0.000 1.487 261 I HN -0.230 nan 8.210 nan 0.000 0.564 262 F N 6.343 126.266 119.950 -0.044 0.000 2.529 262 F HA 0.194 4.721 4.527 0.000 0.000 0.365 262 F C -1.477 174.295 175.800 -0.047 0.000 1.102 262 F CA -1.245 56.721 58.000 -0.056 0.000 1.271 262 F CB -0.169 38.808 39.000 -0.038 0.000 1.120 262 F HN 0.273 nan 8.300 nan 0.000 0.579 263 P HA 0.062 nan 4.420 nan 0.000 0.272 263 P C -0.713 176.659 177.300 0.120 0.000 1.223 263 P CA -0.396 62.749 63.100 0.074 0.000 0.784 263 P CB 0.507 32.245 31.700 0.063 0.000 0.923 264 L N 1.622 122.912 121.223 0.112 0.000 2.456 264 L HA 0.149 4.489 4.340 -0.000 0.000 0.272 264 L C 1.389 178.313 176.870 0.090 0.000 1.189 264 L CA 0.795 55.701 54.840 0.110 0.000 0.846 264 L CB -0.609 41.501 42.059 0.085 0.000 1.111 264 L HN 0.478 nan 8.230 nan 0.000 0.475 265 T N -1.846 112.752 114.554 0.074 0.000 2.754 265 T HA 0.118 4.468 4.350 -0.000 0.000 0.286 265 T C 0.862 175.593 174.700 0.052 0.000 0.997 265 T CA -0.685 61.445 62.100 0.049 0.000 0.982 265 T CB 0.540 69.426 68.868 0.029 0.000 1.027 265 T HN 0.539 nan 8.240 nan 0.000 0.529 266 D N 0.247 120.672 120.400 0.041 0.000 2.158 266 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 266 D C 2.057 178.376 176.300 0.030 0.000 0.995 266 D CA 1.172 55.194 54.000 0.036 0.000 0.846 266 D CB -0.047 40.771 40.800 0.029 0.000 0.941 266 D HN 0.606 nan 8.370 nan 0.000 0.456 267 E N 0.597 120.816 120.200 0.032 0.000 2.152 267 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 267 E C 2.006 178.644 176.600 0.062 0.000 0.983 267 E CA 0.488 56.910 56.400 0.037 0.000 0.818 267 E CB -0.070 29.648 29.700 0.030 0.000 0.758 267 E HN 0.506 nan 8.360 nan 0.000 0.467 268 E N 0.856 121.107 120.200 0.086 0.000 2.072 268 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 268 E C 2.053 178.694 176.600 0.070 0.000 0.982 268 E CA 0.873 57.374 56.400 0.168 0.000 0.803 268 E CB -0.059 29.767 29.700 0.210 0.000 0.755 268 E HN 0.165 nan 8.360 nan 0.000 0.453 269 A N 1.225 124.051 122.820 0.009 0.000 1.933 269 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 269 A C 2.168 179.711 177.584 -0.067 0.000 1.175 269 A CA 0.973 52.973 52.037 -0.062 0.000 0.628 269 A CB -0.550 18.437 19.000 -0.022 0.000 0.814 269 A HN 0.137 nan 8.150 nan 0.000 0.444 270 L N -0.801 120.410 121.223 -0.019 0.000 2.056 270 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 270 L C 2.970 179.834 176.870 -0.010 0.000 1.078 270 L CA 1.618 56.449 54.840 -0.016 0.000 0.749 270 L CB -0.494 41.566 42.059 0.003 0.000 0.901 270 L HN 0.549 nan 8.230 nan 0.000 0.433 271 S N 0.247 115.965 115.700 0.030 0.000 2.368 271 S HA -0.213 4.257 4.470 -0.000 0.000 0.225 271 S C 1.966 176.588 174.600 0.036 0.000 1.030 271 S CA 1.422 59.672 58.200 0.083 0.000 0.999 271 S CB -0.244 63.073 63.200 0.195 0.000 0.844 271 S HN 0.291 nan 8.310 nan 0.000 0.459 272 L N 1.686 122.810 121.223 -0.165 0.000 2.012 272 L HA -0.030 4.310 4.340 -0.000 0.000 0.210 272 L C 2.205 178.960 176.870 -0.193 0.000 1.073 272 L CA 2.004 56.584 54.840 -0.434 0.000 0.748 272 L CB -0.764 40.821 42.059 -0.790 0.000 0.891 272 L HN 0.231 nan 8.230 nan 0.000 0.431 273 K N -0.860 119.456 120.400 -0.140 0.000 2.097 273 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 273 K C 2.158 178.723 176.600 -0.059 0.000 1.049 273 K CA 1.554 57.783 56.287 -0.096 0.000 0.933 273 K CB -0.191 32.256 32.500 -0.088 0.000 0.717 273 K HN 0.363 nan 8.250 nan 0.000 0.442 274 R N 0.991 121.471 120.500 -0.034 0.000 2.075 274 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 274 R C 2.159 178.462 176.300 0.006 0.000 1.126 274 R CA 1.321 57.415 56.100 -0.010 0.000 0.963 274 R CB -0.177 30.128 30.300 0.007 0.000 0.858 274 R HN 0.320 nan 8.270 nan 0.000 0.435 275 E N 0.863 121.077 120.200 0.023 0.000 2.077 275 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 275 E C 2.028 178.652 176.600 0.039 0.000 0.989 275 E CA 1.375 57.804 56.400 0.049 0.000 0.800 275 E CB -0.135 29.625 29.700 0.099 0.000 0.746 275 E HN 0.478 nan 8.360 nan 0.000 0.452 276 I N -1.016 119.565 120.570 0.019 0.000 3.428 276 I HA 0.001 4.171 4.170 -0.000 0.000 0.286 276 I C 2.084 178.220 176.117 0.032 0.000 1.287 276 I CA 0.491 61.818 61.300 0.045 0.000 1.396 276 I CB 0.058 38.095 38.000 0.062 0.000 1.062 276 I HN -0.126 nan 8.210 nan 0.000 0.471 277 E N 2.944 123.141 120.200 -0.005 0.000 2.049 277 E HA -0.167 4.183 4.350 -0.000 0.000 0.198 277 E C -0.454 176.140 176.600 -0.010 0.000 1.007 277 E CA 2.345 58.727 56.400 -0.029 0.000 0.809 277 E CB -1.404 28.274 29.700 -0.036 0.000 0.749 277 E HN 0.380 nan 8.360 nan 0.000 0.450 278 P HA -0.105 nan 4.420 nan 0.000 0.218 278 P C 1.289 178.610 177.300 0.035 0.000 1.149 278 P CA 1.116 64.226 63.100 0.016 0.000 0.817 278 P CB -0.041 31.672 31.700 0.022 0.000 0.785 279 L N -0.587 120.672 121.223 0.059 0.000 2.109 279 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 279 L C 2.597 179.541 176.870 0.124 0.000 1.086 279 L CA 1.376 56.273 54.840 0.095 0.000 0.760 279 L CB -0.614 41.519 42.059 0.123 0.000 0.910 279 L HN -0.059 nan 8.230 nan 0.000 0.437 280 K N 0.410 120.874 120.400 0.107 0.000 2.057 280 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 280 K C 2.275 178.887 176.600 0.020 0.000 1.049 280 K CA 1.216 57.545 56.287 0.070 0.000 0.931 280 K CB 0.069 32.453 32.500 -0.195 0.000 0.714 280 K HN 0.175 nan 8.250 nan 0.000 0.440 281 R N 0.619 121.116 120.500 -0.006 0.000 2.083 281 R HA -0.126 4.214 4.340 -0.000 0.000 0.237 281 R C 2.375 178.685 176.300 0.016 0.000 1.137 281 R CA 1.930 58.024 56.100 -0.011 0.000 0.951 281 R CB -0.188 30.103 30.300 -0.015 0.000 0.851 281 R HN 0.160 nan 8.270 nan 0.000 0.434 282 K N 0.414 120.835 120.400 0.035 0.000 2.057 282 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 282 K C 2.124 178.763 176.600 0.065 0.000 1.049 282 K CA 1.270 57.583 56.287 0.044 0.000 0.931 282 K CB -0.144 32.384 32.500 0.046 0.000 0.714 282 K HN 0.167 nan 8.250 nan 0.000 0.440 283 I N 1.321 121.948 120.570 0.095 0.000 2.142 283 I HA -0.308 3.862 4.170 -0.000 0.000 0.240 283 I C 2.318 178.509 176.117 0.123 0.000 1.078 283 I CA 1.441 62.815 61.300 0.122 0.000 1.343 283 I CB -0.228 37.887 38.000 0.192 0.000 1.046 283 I HN 0.222 nan 8.210 nan 0.000 0.405 284 Q N 0.090 119.953 119.800 0.105 0.000 2.291 284 Q HA -0.250 4.090 4.340 -0.000 0.000 0.205 284 Q C 1.990 178.032 176.000 0.071 0.000 0.970 284 Q CA 1.237 57.093 55.803 0.090 0.000 0.876 284 Q CB -0.112 28.643 28.738 0.029 0.000 0.935 284 Q HN 0.517 nan 8.270 nan 0.000 0.455 285 E N 0.697 120.922 120.200 0.042 0.000 2.152 285 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 285 E C 1.546 178.227 176.600 0.135 0.000 0.983 285 E CA 0.549 56.951 56.400 0.003 0.000 0.818 285 E CB 0.196 29.896 29.700 0.000 0.000 0.758 285 E HN 0.328 nan 8.360 nan 0.000 0.467 286 L N 0.329 121.647 121.223 0.158 0.000 2.513 286 L HA 0.181 4.521 4.340 -0.000 0.000 0.222 286 L C -0.158 176.807 176.870 0.157 0.000 1.096 286 L CA -0.138 54.795 54.840 0.155 0.000 0.857 286 L CB 1.248 43.358 42.059 0.085 0.000 1.026 286 L HN -0.078 nan 8.230 nan 0.000 0.469 287 V N 1.247 121.285 119.914 0.208 0.000 2.447 287 V HA 0.452 4.572 4.120 -0.000 0.000 0.292 287 V C -0.688 175.526 176.094 0.200 0.000 1.021 287 V CA -0.640 61.727 62.300 0.111 0.000 0.850 287 V CB 1.126 32.997 31.823 0.081 0.000 1.005 287 V HN 0.290 nan 8.190 nan 0.000 0.426 288 H N 0.000 119.085 119.070 0.025 0.000 2.539 288 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 288 H CA 0.000 56.062 56.048 0.023 0.000 1.023 288 H CB 0.000 29.773 29.762 0.019 0.000 1.292 288 H HN 0.000 nan 8.280 nan 0.000 0.496