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 3ik4_1_D DATA FIRST_RESID 0 DATA SEQUENCE SLPTTIQAIS AEAINLPLTE XXXXXXXXXA VAANVLVKVQ LADGTLGLGE DATA SEQUENCE AAPFPAVSGE TQTGTSAAIE RLQSHLLGAD VRGWRKLAAM LDHAEHEAAA DATA SEQUENCE ARCGLEMAML DALTRHYHMP LHVFFGGVSK QLETDMTITA GDEVHAAASA DATA SEQUENCE KAILARGIKS IKVKTAGVDV AYDLARLRAI HQAAPTAPLI VDGNCGYDVE DATA SEQUENCE RALAFCAACK AESIPMVLFE QPLPREDWAG MAQVTAQSGF AVAADESARS DATA SEQUENCE AHDVLRIARE GTASVINIKL MKAGVAEGLK MIAIAQAAGL GLMIGGMVES DATA SEQUENCE ILAMSFSANL AAGNGGFDFI DLDTPLFIAE HPFIGGFAQT GGTLQLADVA DATA SEQUENCE GHGVNLE 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.597 174.600 -0.005 0.000 1.055 0 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 0 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 1 L N 3.341 124.558 121.223 -0.010 0.000 2.376 1 L HA 0.821 5.161 4.340 -0.001 0.000 0.267 1 L C -1.921 174.929 176.870 -0.033 0.000 1.035 1 L CA -1.976 52.857 54.840 -0.013 0.000 0.800 1 L CB 0.390 42.443 42.059 -0.010 0.000 1.290 1 L HN 0.290 nan 8.230 nan 0.000 0.462 2 P HA -0.015 nan 4.420 nan 0.000 0.231 2 P C 0.908 178.130 177.300 -0.130 0.000 1.168 2 P CA 0.902 63.983 63.100 -0.031 0.000 0.779 2 P CB -0.005 31.725 31.700 0.050 0.000 0.844 3 T N -4.679 109.732 114.554 -0.238 0.000 3.188 3 T HA 0.103 4.453 4.350 -0.001 0.000 0.250 3 T C 0.734 175.341 174.700 -0.154 0.000 1.077 3 T CA -0.055 61.846 62.100 -0.331 0.000 0.967 3 T CB -1.125 67.482 68.868 -0.436 0.000 1.006 3 T HN -0.110 nan 8.240 nan 0.000 0.552 4 T N 3.160 117.660 114.554 -0.091 0.000 2.870 4 T HA 0.344 4.693 4.350 -0.001 0.000 0.300 4 T C 0.448 175.122 174.700 -0.042 0.000 0.989 4 T CA -0.308 61.763 62.100 -0.049 0.000 1.139 4 T CB 0.195 69.046 68.868 -0.029 0.000 0.920 4 T HN 0.348 nan 8.240 nan 0.000 0.537 5 I N 3.794 124.348 120.570 -0.026 0.000 2.494 5 I HA 0.042 4.212 4.170 -0.001 0.000 0.289 5 I C 1.545 177.656 176.117 -0.010 0.000 1.106 5 I CA 0.158 61.448 61.300 -0.017 0.000 1.369 5 I CB 0.625 38.624 38.000 -0.002 0.000 1.410 5 I HN 0.762 nan 8.210 nan 0.000 0.523 6 Q N 5.657 125.451 119.800 -0.011 0.000 2.304 6 Q HA 0.267 4.606 4.340 -0.001 0.000 0.204 6 Q C 0.328 176.327 176.000 -0.002 0.000 0.936 6 Q CA 0.435 56.233 55.803 -0.007 0.000 0.878 6 Q CB 0.573 29.306 28.738 -0.008 0.000 0.983 6 Q HN 0.821 nan 8.270 nan 0.000 0.516 7 A N 0.364 123.184 122.820 -0.000 0.000 2.475 7 A HA 0.702 5.022 4.320 -0.001 0.000 0.301 7 A C -1.366 176.223 177.584 0.007 0.000 1.059 7 A CA -0.707 51.333 52.037 0.004 0.000 0.710 7 A CB 1.299 20.301 19.000 0.004 0.000 1.288 7 A HN 0.313 nan 8.150 nan 0.000 0.408 8 I N 1.634 122.210 120.570 0.011 0.000 2.571 8 I HA 0.498 4.667 4.170 -0.001 0.000 0.289 8 I C 0.002 176.128 176.117 0.016 0.000 1.115 8 I CA -0.323 60.985 61.300 0.014 0.000 1.045 8 I CB 2.532 40.543 38.000 0.018 0.000 1.238 8 I HN 0.746 nan 8.210 nan 0.000 0.424 9 S N 4.145 119.855 115.700 0.018 0.000 2.632 9 S HA 0.979 5.448 4.470 -0.001 0.000 0.289 9 S C -0.902 173.711 174.600 0.021 0.000 1.115 9 S CA -0.814 57.397 58.200 0.018 0.000 0.889 9 S CB 2.578 65.788 63.200 0.017 0.000 1.116 9 S HN 0.871 nan 8.310 nan 0.000 0.486 10 A N 1.149 123.980 122.820 0.019 0.000 2.437 10 A HA 0.747 5.066 4.320 -0.001 0.000 0.293 10 A C -0.788 176.807 177.584 0.018 0.000 1.038 10 A CA -0.635 51.415 52.037 0.021 0.000 0.708 10 A CB 1.250 20.261 19.000 0.018 0.000 1.251 10 A HN 1.038 nan 8.150 nan 0.000 0.409 11 E N 1.912 122.125 120.200 0.022 0.000 2.288 11 E HA 0.750 5.099 4.350 -0.001 0.000 0.268 11 E C -0.299 176.313 176.600 0.020 0.000 0.885 11 E CA -0.834 55.575 56.400 0.016 0.000 0.767 11 E CB 2.123 31.830 29.700 0.011 0.000 1.220 11 E HN 0.995 nan 8.360 nan 0.000 0.427 12 A N 3.396 126.224 122.820 0.013 0.000 2.409 12 A HA 0.410 4.730 4.320 -0.001 0.000 0.262 12 A C -0.571 177.022 177.584 0.016 0.000 1.113 12 A CA -0.442 51.603 52.037 0.014 0.000 0.790 12 A CB 0.030 19.034 19.000 0.007 0.000 1.046 12 A HN 0.583 nan 8.150 nan 0.000 0.496 13 I N 2.605 123.191 120.570 0.027 0.000 2.406 13 I HA 0.282 4.452 4.170 -0.001 0.000 0.290 13 I C -0.809 175.328 176.117 0.033 0.000 0.999 13 I CA -0.409 60.909 61.300 0.030 0.000 1.124 13 I CB 1.417 39.448 38.000 0.052 0.000 1.289 13 I HN 0.602 nan 8.210 nan 0.000 0.441 14 N N 8.326 127.041 118.700 0.025 0.000 2.546 14 N HA 0.356 5.095 4.740 -0.001 0.000 0.238 14 N C -1.267 174.266 175.510 0.039 0.000 0.984 14 N CA -0.324 52.742 53.050 0.027 0.000 0.935 14 N CB 1.350 39.845 38.487 0.015 0.000 1.122 14 N HN 0.468 nan 8.380 nan 0.000 0.510 15 L N 3.999 125.257 121.223 0.059 0.000 2.260 15 L HA 0.359 4.699 4.340 -0.001 0.000 0.289 15 L C -1.875 175.042 176.870 0.078 0.000 1.057 15 L CA -1.721 53.166 54.840 0.078 0.000 0.811 15 L CB 0.793 42.917 42.059 0.109 0.000 1.184 15 L HN 0.170 nan 8.230 nan 0.000 0.429 16 P HA 0.106 nan 4.420 nan 0.000 0.271 16 P C -0.784 176.572 177.300 0.092 0.000 1.226 16 P CA 0.047 63.187 63.100 0.068 0.000 0.765 16 P CB 0.726 32.455 31.700 0.050 0.000 0.835 17 L N 3.107 124.390 121.223 0.101 0.000 2.307 17 L HA 0.272 4.612 4.340 -0.001 0.000 0.282 17 L C 2.111 179.046 176.870 0.108 0.000 1.051 17 L CA -0.369 54.555 54.840 0.139 0.000 0.804 17 L CB 1.256 43.418 42.059 0.172 0.000 1.197 17 L HN 0.391 nan 8.230 nan 0.000 0.431 18 T N -1.196 113.416 114.554 0.096 0.000 2.809 18 T HA 0.029 4.378 4.350 -0.001 0.000 0.260 18 T C 0.401 175.112 174.700 0.019 0.000 1.039 18 T CA 0.584 62.699 62.100 0.025 0.000 1.141 18 T CB 0.016 68.859 68.868 -0.041 0.000 0.869 18 T HN 0.747 nan 8.240 nan 0.000 0.437 30 V N -1.651 118.291 119.914 0.046 0.000 2.815 30 V HA 0.922 5.041 4.120 -0.001 0.000 0.314 30 V C 0.075 176.201 176.094 0.053 0.000 1.064 30 V CA -0.471 61.857 62.300 0.047 0.000 0.952 30 V CB 1.501 33.339 31.823 0.025 0.000 1.020 30 V HN 1.408 nan 8.190 nan 0.000 0.439 31 A N 2.926 125.786 122.820 0.067 0.000 2.621 31 A HA 0.767 5.087 4.320 -0.001 0.000 0.329 31 A C 0.700 178.313 177.584 0.048 0.000 1.458 31 A CA 0.035 52.115 52.037 0.072 0.000 1.052 31 A CB -0.242 18.811 19.000 0.088 0.000 1.142 31 A HN 1.977 nan 8.150 nan 0.000 0.523 32 A N 3.937 126.769 122.820 0.020 0.000 2.981 32 A HA 0.381 4.700 4.320 -0.001 0.000 0.280 32 A C 0.199 177.792 177.584 0.015 0.000 1.743 32 A CA -0.307 51.733 52.037 0.006 0.000 1.430 32 A CB -0.784 18.201 19.000 -0.026 0.000 1.085 32 A HN 0.729 nan 8.150 nan 0.000 0.597 33 N N -0.314 118.406 118.700 0.033 0.000 2.502 33 N HA 0.658 5.397 4.740 -0.001 0.000 0.280 33 N C -0.817 174.713 175.510 0.033 0.000 1.223 33 N CA -0.537 52.535 53.050 0.037 0.000 0.966 33 N CB 1.599 40.118 38.487 0.053 0.000 1.203 33 N HN 0.135 nan 8.380 nan 0.000 0.565 34 V N 1.523 121.455 119.914 0.030 0.000 2.525 34 V HA 0.335 4.455 4.120 -0.001 0.000 0.299 34 V C -0.779 175.337 176.094 0.038 0.000 1.034 34 V CA -0.779 61.539 62.300 0.029 0.000 0.863 34 V CB 1.673 33.505 31.823 0.015 0.000 0.999 34 V HN 0.353 nan 8.190 nan 0.000 0.423 35 L N 5.391 126.649 121.223 0.057 0.000 2.312 35 L HA 0.561 4.900 4.340 -0.001 0.000 0.281 35 L C -0.015 176.888 176.870 0.054 0.000 1.070 35 L CA -0.033 54.854 54.840 0.079 0.000 0.805 35 L CB 1.663 43.802 42.059 0.133 0.000 1.174 35 L HN 0.429 nan 8.230 nan 0.000 0.434 36 V N 4.262 124.202 119.914 0.045 0.000 2.384 36 V HA 0.445 4.564 4.120 -0.001 0.000 0.287 36 V C 0.117 176.239 176.094 0.046 0.000 1.020 36 V CA -0.947 61.373 62.300 0.033 0.000 0.850 36 V CB 1.612 33.442 31.823 0.011 0.000 0.987 36 V HN 0.569 nan 8.190 nan 0.000 0.436 37 K N 3.649 124.075 120.400 0.043 0.000 2.274 37 K HA 0.702 5.021 4.320 -0.001 0.000 0.262 37 K C -0.885 175.732 176.600 0.028 0.000 0.961 37 K CA -0.445 55.869 56.287 0.045 0.000 0.833 37 K CB 2.099 34.627 32.500 0.045 0.000 1.102 37 K HN 0.640 nan 8.250 nan 0.000 0.436 38 V N 0.462 120.389 119.914 0.023 0.000 2.628 38 V HA 0.510 4.630 4.120 -0.001 0.000 0.306 38 V C -0.815 175.281 176.094 0.004 0.000 1.045 38 V CA -0.937 61.369 62.300 0.010 0.000 0.905 38 V CB 1.740 33.565 31.823 0.004 0.000 0.997 38 V HN 0.794 nan 8.190 nan 0.000 0.436 39 Q N 2.556 122.356 119.800 -0.000 0.000 2.330 39 Q HA 0.585 4.924 4.340 -0.001 0.000 0.269 39 Q C -1.499 174.492 176.000 -0.015 0.000 1.022 39 Q CA -0.861 54.938 55.803 -0.006 0.000 0.796 39 Q CB 2.045 30.783 28.738 0.000 0.000 1.271 39 Q HN 0.809 nan 8.270 nan 0.000 0.450 40 L N 1.959 123.167 121.223 -0.025 0.000 2.466 40 L HA 0.304 4.644 4.340 -0.001 0.000 0.257 40 L C 1.127 177.983 176.870 -0.024 0.000 1.189 40 L CA 0.760 55.578 54.840 -0.038 0.000 0.813 40 L CB 0.603 42.624 42.059 -0.063 0.000 1.118 40 L HN 0.914 nan 8.230 nan 0.000 0.471 41 A N 0.581 123.384 122.820 -0.029 0.000 2.172 41 A HA -0.099 4.221 4.320 -0.001 0.000 0.216 41 A C 1.124 178.705 177.584 -0.006 0.000 1.154 41 A CA 1.214 53.242 52.037 -0.016 0.000 0.701 41 A CB -0.731 18.258 19.000 -0.018 0.000 0.789 41 A HN 0.822 nan 8.150 nan 0.000 0.465 42 D N -2.224 118.176 120.400 0.000 0.000 2.342 42 D HA 0.272 4.911 4.640 -0.001 0.000 0.221 42 D C 1.066 177.371 176.300 0.008 0.000 1.101 42 D CA 0.647 54.657 54.000 0.015 0.000 0.837 42 D CB -0.521 40.309 40.800 0.050 0.000 0.938 42 D HN 0.637 nan 8.370 nan 0.000 0.508 43 G N 0.247 109.048 108.800 0.001 0.000 2.179 43 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.260 43 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.260 43 G C 0.359 175.256 174.900 -0.005 0.000 0.977 43 G CA 0.356 45.456 45.100 -0.001 0.000 0.641 43 G HN 0.446 nan 8.290 nan 0.000 0.533 44 T N 1.480 116.028 114.554 -0.010 0.000 2.870 44 T HA 0.546 4.896 4.350 -0.001 0.000 0.300 44 T C 0.180 174.865 174.700 -0.024 0.000 0.989 44 T CA -0.005 62.080 62.100 -0.025 0.000 1.139 44 T CB 1.888 70.736 68.868 -0.034 0.000 0.920 44 T HN 0.212 nan 8.240 nan 0.000 0.537 45 L N 2.908 124.118 121.223 -0.022 0.000 2.309 45 L HA 0.674 5.014 4.340 -0.001 0.000 0.282 45 L C 0.716 177.571 176.870 -0.024 0.000 1.036 45 L CA 0.016 54.851 54.840 -0.009 0.000 0.806 45 L CB 1.432 43.499 42.059 0.013 0.000 1.220 45 L HN 0.861 nan 8.230 nan 0.000 0.429 46 G N 3.807 112.601 108.800 -0.010 0.000 2.609 46 G HA2 0.674 4.634 3.960 -0.001 0.000 0.308 46 G HA3 0.674 4.634 3.960 -0.001 0.000 0.308 46 G C -1.424 173.505 174.900 0.049 0.000 1.369 46 G CA -0.394 44.697 45.100 -0.015 0.000 0.958 46 G HN 0.405 nan 8.290 nan 0.000 0.499 47 L N 1.810 123.110 121.223 0.129 0.000 2.341 47 L HA 0.819 5.158 4.340 -0.001 0.000 0.278 47 L C 0.544 177.537 176.870 0.205 0.000 1.005 47 L CA -0.712 54.246 54.840 0.197 0.000 0.818 47 L CB 2.388 44.604 42.059 0.261 0.000 1.259 47 L HN 0.677 nan 8.230 nan 0.000 0.418 48 G N 1.453 110.290 108.800 0.062 0.000 2.612 48 G HA2 0.553 4.513 3.960 -0.001 0.000 0.298 48 G HA3 0.553 4.513 3.960 -0.001 0.000 0.298 48 G C -1.932 172.934 174.900 -0.057 0.000 1.336 48 G CA -0.297 44.781 45.100 -0.037 0.000 0.953 48 G HN 0.515 nan 8.290 nan 0.000 0.482 49 E N 0.181 120.314 120.200 -0.111 0.000 2.199 49 E HA 0.615 4.965 4.350 -0.001 0.000 0.265 49 E C -0.481 176.077 176.600 -0.069 0.000 0.882 49 E CA -0.897 55.458 56.400 -0.075 0.000 0.759 49 E CB 1.791 31.427 29.700 -0.107 0.000 1.148 49 E HN 0.665 nan 8.360 nan 0.000 0.412 50 A N 3.064 125.864 122.820 -0.032 0.000 2.276 50 A HA 0.714 5.034 4.320 -0.001 0.000 0.316 50 A C -0.561 177.020 177.584 -0.004 0.000 1.229 50 A CA -0.261 51.761 52.037 -0.025 0.000 0.851 50 A CB 1.223 20.213 19.000 -0.016 0.000 1.165 50 A HN 0.559 nan 8.150 nan 0.000 0.513 51 A N 4.873 127.693 122.820 0.000 0.000 2.842 51 A HA 0.686 5.005 4.320 -0.001 0.000 0.339 51 A C -2.811 174.806 177.584 0.055 0.000 1.177 51 A CA -1.394 50.660 52.037 0.028 0.000 0.797 51 A CB 0.288 19.302 19.000 0.024 0.000 1.094 51 A HN 0.576 nan 8.150 nan 0.000 0.474 52 P HA 0.504 nan 4.420 nan 0.000 0.282 52 P C -1.077 176.300 177.300 0.128 0.000 1.249 52 P CA -0.277 62.862 63.100 0.065 0.000 0.806 52 P CB 0.915 32.626 31.700 0.018 0.000 0.984 53 F N 4.246 124.181 119.950 -0.025 0.000 2.671 53 F HA 0.318 4.844 4.527 -0.001 0.000 0.332 53 F C -1.791 173.995 175.800 -0.023 0.000 1.189 53 F CA -2.382 55.603 58.000 -0.024 0.000 0.988 53 F CB 2.186 41.168 39.000 -0.030 0.000 1.258 53 F HN 0.162 nan 8.300 nan 0.000 0.471 54 P HA -0.122 nan 4.420 nan 0.000 0.221 54 P C 1.131 178.455 177.300 0.041 0.000 1.150 54 P CA 1.478 64.554 63.100 -0.040 0.000 0.800 54 P CB 0.186 31.815 31.700 -0.119 0.000 0.787 55 A N -0.145 122.748 122.820 0.121 0.000 1.968 55 A HA -0.046 4.274 4.320 -0.001 0.000 0.217 55 A C 2.341 180.027 177.584 0.171 0.000 1.169 55 A CA 1.418 53.562 52.037 0.177 0.000 0.638 55 A CB -1.364 17.808 19.000 0.287 0.000 0.812 55 A HN 0.074 nan 8.150 nan 0.000 0.446 56 V N -1.024 119.026 119.914 0.226 0.000 2.302 56 V HA 0.030 4.149 4.120 -0.001 0.000 0.243 56 V C 0.897 177.024 176.094 0.056 0.000 1.036 56 V CA 1.530 63.883 62.300 0.088 0.000 1.020 56 V CB -0.455 31.389 31.823 0.035 0.000 0.657 56 V HN 0.376 nan 8.190 nan 0.000 0.453 57 S N -0.887 114.854 115.700 0.069 0.000 2.546 57 S HA 0.526 4.996 4.470 -0.001 0.000 0.272 57 S C 0.479 175.102 174.600 0.038 0.000 1.140 57 S CA -0.188 58.037 58.200 0.040 0.000 0.920 57 S CB 1.677 64.892 63.200 0.024 0.000 1.083 57 S HN 0.501 nan 8.310 nan 0.000 0.476 58 G N 2.094 110.908 108.800 0.023 0.000 3.157 58 G HA2 0.048 4.008 3.960 -0.001 0.000 0.232 58 G HA3 0.048 4.008 3.960 -0.001 0.000 0.232 58 G C -0.113 174.788 174.900 0.002 0.000 0.989 58 G CA 0.266 45.371 45.100 0.009 0.000 1.826 58 G HN 0.640 nan 8.290 nan 0.000 0.580 59 E N 0.879 121.082 120.200 0.006 0.000 2.115 59 E HA 0.306 4.655 4.350 -0.001 0.000 0.282 59 E C 0.714 177.304 176.600 -0.016 0.000 0.987 59 E CA -0.361 56.038 56.400 -0.002 0.000 0.797 59 E CB 1.080 30.783 29.700 0.005 0.000 1.086 59 E HN 0.344 nan 8.360 nan 0.000 0.397 60 T N -0.577 113.962 114.554 -0.025 0.000 2.880 60 T HA 0.078 4.427 4.350 -0.001 0.000 0.279 60 T C 1.073 175.755 174.700 -0.030 0.000 0.990 60 T CA -0.507 61.568 62.100 -0.041 0.000 0.938 60 T CB 1.560 70.405 68.868 -0.039 0.000 1.206 60 T HN 0.464 nan 8.240 nan 0.000 0.573 61 Q N -0.416 119.363 119.800 -0.035 0.000 2.123 61 Q HA -0.075 4.264 4.340 -0.001 0.000 0.199 61 Q C 2.059 178.051 176.000 -0.014 0.000 0.966 61 Q CA 1.735 57.525 55.803 -0.021 0.000 0.845 61 Q CB -0.513 28.212 28.738 -0.023 0.000 0.907 61 Q HN 0.901 nan 8.270 nan 0.000 0.439 62 T N -0.670 113.874 114.554 -0.016 0.000 2.857 62 T HA -0.054 4.296 4.350 -0.001 0.000 0.266 62 T C 1.645 176.341 174.700 -0.007 0.000 1.048 62 T CA 1.062 63.156 62.100 -0.010 0.000 1.139 62 T CB -0.447 68.414 68.868 -0.012 0.000 0.874 62 T HN 0.493 nan 8.240 nan 0.000 0.455 63 G N 1.135 109.930 108.800 -0.009 0.000 2.422 63 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.218 63 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.218 63 G C 1.656 176.554 174.900 -0.004 0.000 1.140 63 G CA 1.172 46.269 45.100 -0.005 0.000 0.775 63 G HN 0.442 nan 8.290 nan 0.000 0.545 64 T N 0.908 115.458 114.554 -0.006 0.000 2.770 64 T HA -0.063 4.286 4.350 -0.001 0.000 0.263 64 T C 2.829 177.528 174.700 -0.001 0.000 1.039 64 T CA 1.435 63.532 62.100 -0.005 0.000 1.142 64 T CB -0.220 68.645 68.868 -0.005 0.000 0.868 64 T HN 0.237 nan 8.240 nan 0.000 0.435 65 S N 1.228 116.928 115.700 0.001 0.000 2.382 65 S HA -0.003 4.466 4.470 -0.001 0.000 0.228 65 S C 2.514 177.118 174.600 0.007 0.000 1.027 65 S CA 0.933 59.136 58.200 0.004 0.000 0.991 65 S CB -0.444 62.758 63.200 0.003 0.000 0.823 65 S HN 0.569 nan 8.310 nan 0.000 0.469 66 A N 1.203 124.026 122.820 0.006 0.000 1.969 66 A HA 0.189 4.509 4.320 -0.001 0.000 0.218 66 A C 2.271 179.863 177.584 0.013 0.000 1.169 66 A CA 1.542 53.584 52.037 0.009 0.000 0.635 66 A CB -0.811 18.193 19.000 0.007 0.000 0.810 66 A HN 0.502 nan 8.150 nan 0.000 0.445 67 A N -0.049 122.777 122.820 0.010 0.000 1.897 67 A HA 0.011 4.331 4.320 -0.001 0.000 0.215 67 A C 2.062 179.654 177.584 0.014 0.000 1.181 67 A CA 1.335 53.378 52.037 0.010 0.000 0.620 67 A CB -0.522 18.479 19.000 0.001 0.000 0.821 67 A HN 0.468 nan 8.150 nan 0.000 0.443 68 I N -0.540 120.037 120.570 0.011 0.000 2.315 68 I HA -0.209 3.961 4.170 -0.001 0.000 0.248 68 I C 2.534 178.667 176.117 0.026 0.000 1.117 68 I CA 1.121 62.430 61.300 0.016 0.000 1.404 68 I CB -0.309 37.698 38.000 0.011 0.000 1.071 68 I HN 0.333 nan 8.210 nan 0.000 0.419 69 E N 1.080 121.294 120.200 0.024 0.000 2.070 69 E HA -0.244 4.105 4.350 -0.001 0.000 0.197 69 E C 2.356 178.980 176.600 0.039 0.000 1.004 69 E CA 1.497 57.913 56.400 0.027 0.000 0.805 69 E CB -0.125 29.587 29.700 0.020 0.000 0.744 69 E HN 0.479 nan 8.360 nan 0.000 0.451 70 R N -0.060 120.467 120.500 0.045 0.000 2.115 70 R HA -0.009 4.331 4.340 -0.001 0.000 0.230 70 R C 2.388 178.760 176.300 0.119 0.000 1.111 70 R CA 0.571 56.711 56.100 0.067 0.000 0.976 70 R CB -0.107 30.230 30.300 0.060 0.000 0.870 70 R HN 0.160 nan 8.270 nan 0.000 0.445 71 L N 0.437 121.723 121.223 0.105 0.000 2.558 71 L HA -0.009 4.330 4.340 -0.001 0.000 0.225 71 L C 1.947 178.918 176.870 0.169 0.000 1.128 71 L CA 0.399 55.332 54.840 0.155 0.000 0.868 71 L CB -0.043 42.041 42.059 0.041 0.000 1.006 71 L HN 0.161 nan 8.230 nan 0.000 0.454 72 Q N -0.212 119.649 119.800 0.102 0.000 2.291 72 Q HA -0.168 4.172 4.340 -0.001 0.000 0.206 72 Q C 2.334 178.368 176.000 0.057 0.000 0.976 72 Q CA 1.703 57.547 55.803 0.068 0.000 0.875 72 Q CB -0.003 28.759 28.738 0.040 0.000 0.927 72 Q HN 0.604 nan 8.270 nan 0.000 0.450 73 S N -0.733 114.996 115.700 0.047 0.000 2.453 73 S HA -0.137 4.332 4.470 -0.001 0.000 0.231 73 S C 1.163 175.692 174.600 -0.118 0.000 1.005 73 S CA 0.986 59.154 58.200 -0.054 0.000 0.949 73 S CB -0.261 62.868 63.200 -0.119 0.000 0.774 73 S HN 0.476 nan 8.310 nan 0.000 0.510 74 H N 0.536 119.615 119.070 0.015 0.000 2.544 74 H HA 0.407 4.962 4.556 -0.001 0.000 0.269 74 H C 1.587 176.925 175.328 0.015 0.000 0.970 74 H CA 0.912 56.970 56.048 0.017 0.000 1.219 74 H CB 0.057 29.831 29.762 0.019 0.000 1.421 74 H HN 0.323 nan 8.280 nan 0.000 0.555 75 L N -0.845 120.447 121.223 0.116 0.000 2.577 75 L HA 0.172 4.512 4.340 -0.001 0.000 0.225 75 L C -0.087 176.807 176.870 0.040 0.000 1.053 75 L CA -0.228 54.656 54.840 0.075 0.000 0.866 75 L CB 0.423 42.522 42.059 0.067 0.000 1.132 75 L HN 0.077 nan 8.230 nan 0.000 0.486 76 L N 1.168 122.408 121.223 0.028 0.000 2.361 76 L HA 0.388 4.727 4.340 -0.001 0.000 0.278 76 L C 1.040 177.914 176.870 0.006 0.000 1.113 76 L CA 1.164 56.012 54.840 0.013 0.000 0.849 76 L CB 0.590 42.654 42.059 0.009 0.000 1.155 76 L HN 0.317 nan 8.230 nan 0.000 0.452 77 G N 2.915 111.717 108.800 0.003 0.000 2.258 77 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.233 77 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.233 77 G C 0.479 175.381 174.900 0.004 0.000 1.006 77 G CA 0.104 45.204 45.100 0.000 0.000 0.620 77 G HN 1.103 nan 8.290 nan 0.000 0.511 78 A N 0.252 123.079 122.820 0.012 0.000 2.386 78 A HA 0.513 4.832 4.320 -0.001 0.000 0.248 78 A C 0.188 177.779 177.584 0.012 0.000 1.082 78 A CA 0.651 52.700 52.037 0.020 0.000 0.789 78 A CB 0.343 19.366 19.000 0.038 0.000 1.025 78 A HN 0.396 nan 8.150 nan 0.000 0.490 79 D N 1.635 122.045 120.400 0.016 0.000 2.325 79 D HA 0.143 4.783 4.640 -0.001 0.000 0.251 79 D C 0.970 177.288 176.300 0.030 0.000 1.196 79 D CA 0.027 54.032 54.000 0.009 0.000 0.866 79 D CB 1.271 42.079 40.800 0.014 0.000 1.101 79 D HN 0.125 nan 8.370 nan 0.000 0.476 80 V N 5.986 125.905 119.914 0.009 0.000 2.867 80 V HA -0.177 3.943 4.120 -0.001 0.000 0.260 80 V C 2.153 178.320 176.094 0.121 0.000 1.099 80 V CA 1.456 63.779 62.300 0.039 0.000 1.122 80 V CB -0.338 31.469 31.823 -0.027 0.000 0.708 80 V HN 0.523 nan 8.190 nan 0.000 0.490 81 R N 0.393 120.961 120.500 0.113 0.000 2.115 81 R HA -0.038 4.301 4.340 -0.001 0.000 0.230 81 R C 1.790 178.241 176.300 0.252 0.000 1.111 81 R CA 1.172 57.402 56.100 0.216 0.000 0.976 81 R CB -0.724 29.669 30.300 0.155 0.000 0.870 81 R HN 0.544 nan 8.270 nan 0.000 0.445 82 G N 2.243 111.127 108.800 0.139 0.000 3.471 82 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.254 82 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.254 82 G C 1.031 175.966 174.900 0.058 0.000 1.199 82 G CA -0.640 44.490 45.100 0.050 0.000 1.683 82 G HN 0.500 nan 8.290 nan 0.000 0.625 83 W N 0.247 121.580 121.300 0.056 0.000 2.342 83 W HA -0.107 4.553 4.660 -0.000 0.000 0.297 83 W C 1.479 178.041 176.519 0.071 0.000 1.213 83 W CA 0.328 57.710 57.345 0.060 0.000 1.251 83 W CB -0.504 29.000 29.460 0.074 0.000 1.136 83 W HN 0.321 nan 8.180 nan 0.000 0.526 84 R N 0.978 121.139 120.500 -0.566 0.000 2.092 84 R HA -0.104 4.235 4.340 -0.001 0.000 0.231 84 R C 2.477 178.667 176.300 -0.182 0.000 1.119 84 R CA 1.628 57.452 56.100 -0.461 0.000 0.970 84 R CB -0.451 29.430 30.300 -0.699 0.000 0.864 84 R HN 0.143 nan 8.270 nan 0.000 0.440 85 K N 1.020 121.332 120.400 -0.147 0.000 2.057 85 K HA -0.109 4.210 4.320 -0.001 0.000 0.206 85 K C 2.040 178.623 176.600 -0.028 0.000 1.050 85 K CA 1.115 57.363 56.287 -0.065 0.000 0.935 85 K CB 0.015 32.492 32.500 -0.039 0.000 0.715 85 K HN 0.128 nan 8.250 nan 0.000 0.439 86 L N 0.269 121.496 121.223 0.007 0.000 2.109 86 L HA -0.102 4.238 4.340 -0.001 0.000 0.207 86 L C 2.609 179.482 176.870 0.005 0.000 1.086 86 L CA 1.000 55.858 54.840 0.030 0.000 0.760 86 L CB -0.488 41.615 42.059 0.073 0.000 0.910 86 L HN 0.224 nan 8.230 nan 0.000 0.437 87 A N 0.280 123.118 122.820 0.031 0.000 1.908 87 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 87 A C 2.525 180.064 177.584 -0.074 0.000 1.181 87 A CA 1.842 53.892 52.037 0.022 0.000 0.627 87 A CB -0.692 18.372 19.000 0.105 0.000 0.818 87 A HN 0.398 nan 8.150 nan 0.000 0.445 88 A N -0.895 121.854 122.820 -0.119 0.000 1.930 88 A HA -0.062 4.257 4.320 -0.001 0.000 0.217 88 A C 2.225 179.493 177.584 -0.528 0.000 1.175 88 A CA 1.737 53.609 52.037 -0.275 0.000 0.627 88 A CB -0.475 18.431 19.000 -0.157 0.000 0.815 88 A HN 0.533 nan 8.150 nan 0.000 0.443 89 M N -0.610 118.836 119.600 -0.257 0.000 2.254 89 M HA 0.004 4.484 4.480 -0.001 0.000 0.265 89 M C 1.923 178.071 176.300 -0.254 0.000 1.066 89 M CA 0.956 56.144 55.300 -0.187 0.000 1.123 89 M CB -0.337 32.254 32.600 -0.014 0.000 1.388 89 M HN 0.363 nan 8.290 nan 0.000 0.425 90 L N -0.479 120.617 121.223 -0.212 0.000 2.046 90 L HA -0.227 4.112 4.340 -0.001 0.000 0.208 90 L C 2.120 178.904 176.870 -0.145 0.000 1.077 90 L CA 1.006 55.735 54.840 -0.185 0.000 0.747 90 L CB -0.832 41.166 42.059 -0.102 0.000 0.896 90 L HN 0.268 nan 8.230 nan 0.000 0.432 91 D N -0.681 119.622 120.400 -0.162 0.000 2.144 91 D HA -0.189 4.450 4.640 -0.001 0.000 0.199 91 D C 2.168 178.490 176.300 0.037 0.000 0.984 91 D CA 1.219 55.185 54.000 -0.056 0.000 0.834 91 D CB 0.054 40.821 40.800 -0.054 0.000 0.955 91 D HN 0.318 nan 8.370 nan 0.000 0.465 92 H N -0.374 118.702 119.070 0.010 0.000 2.389 92 H HA 0.140 4.696 4.556 -0.000 0.000 0.299 92 H C 1.916 177.239 175.328 -0.009 0.000 1.081 92 H CA 1.202 57.251 56.048 0.000 0.000 1.345 92 H CB -0.484 29.274 29.762 -0.008 0.000 1.393 92 H HN 0.185 nan 8.280 nan 0.000 0.520 93 A N 0.296 123.141 122.820 0.043 0.000 1.935 93 A HA -0.027 4.293 4.320 -0.001 0.000 0.214 93 A C 0.875 178.466 177.584 0.012 0.000 1.178 93 A CA 1.022 53.051 52.037 -0.014 0.000 0.640 93 A CB 0.289 19.163 19.000 -0.211 0.000 0.825 93 A HN 0.219 nan 8.150 nan 0.000 0.447 94 E N -2.014 118.190 120.200 0.006 0.000 4.139 94 E HA 0.259 4.609 4.350 -0.001 0.000 0.227 94 E C 0.239 176.862 176.600 0.038 0.000 1.187 94 E CA -0.178 56.233 56.400 0.020 0.000 1.324 94 E CB -0.105 29.586 29.700 -0.014 0.000 1.207 94 E HN 0.565 nan 8.360 nan 0.000 0.422 95 H N 0.830 119.900 119.070 -0.000 0.000 2.352 95 H HA -0.123 4.433 4.556 -0.001 0.000 0.299 95 H C 1.052 176.384 175.328 0.007 0.000 1.097 95 H CA 2.490 58.541 56.048 0.006 0.000 1.311 95 H CB 0.640 30.415 29.762 0.021 0.000 1.377 95 H HN 0.215 nan 8.280 nan 0.000 0.504 96 E N 0.019 120.211 120.200 -0.013 0.000 2.274 96 E HA 0.100 4.450 4.350 -0.001 0.000 0.194 96 E C 0.926 177.481 176.600 -0.074 0.000 0.996 96 E CA 0.760 57.130 56.400 -0.049 0.000 0.840 96 E CB 0.190 29.913 29.700 0.037 0.000 0.772 96 E HN 0.498 nan 8.360 nan 0.000 0.491 97 A N 0.795 123.579 122.820 -0.059 0.000 3.118 97 A HA 0.517 4.836 4.320 -0.001 0.000 0.256 97 A C 1.502 179.045 177.584 -0.069 0.000 1.667 97 A CA 0.404 52.413 52.037 -0.048 0.000 1.338 97 A CB -0.637 18.348 19.000 -0.026 0.000 1.127 97 A HN 0.230 nan 8.150 nan 0.000 0.634 98 A N 0.704 123.467 122.820 -0.096 0.000 1.972 98 A HA 0.117 4.436 4.320 -0.001 0.000 0.219 98 A C 2.356 179.904 177.584 -0.059 0.000 1.169 98 A CA 1.896 53.873 52.037 -0.100 0.000 0.635 98 A CB -0.476 18.455 19.000 -0.115 0.000 0.810 98 A HN 1.180 nan 8.150 nan 0.000 0.446 99 A N -0.019 122.777 122.820 -0.041 0.000 1.873 99 A HA 0.183 4.503 4.320 -0.001 0.000 0.215 99 A C 2.538 180.101 177.584 -0.034 0.000 1.186 99 A CA 2.031 54.050 52.037 -0.029 0.000 0.616 99 A CB -1.137 17.856 19.000 -0.010 0.000 0.823 99 A HN 1.070 nan 8.150 nan 0.000 0.442 100 A N 0.051 122.853 122.820 -0.030 0.000 1.892 100 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 100 A C 2.259 179.822 177.584 -0.034 0.000 1.188 100 A CA 1.785 53.806 52.037 -0.026 0.000 0.631 100 A CB -0.534 18.454 19.000 -0.020 0.000 0.822 100 A HN 0.575 nan 8.150 nan 0.000 0.447 101 R N -1.448 119.028 120.500 -0.041 0.000 2.092 101 R HA -0.111 4.229 4.340 -0.001 0.000 0.231 101 R C 2.339 178.613 176.300 -0.043 0.000 1.119 101 R CA 1.250 57.327 56.100 -0.040 0.000 0.970 101 R CB -0.882 29.390 30.300 -0.046 0.000 0.864 101 R HN 0.670 nan 8.270 nan 0.000 0.440 102 C N 0.367 119.634 119.300 -0.055 0.000 2.446 102 C HA 0.023 4.483 4.460 -0.001 0.000 0.277 102 C C 2.819 177.731 174.990 -0.130 0.000 1.275 102 C CA 1.056 60.023 59.018 -0.084 0.000 1.727 102 C CB -1.245 26.448 27.740 -0.078 0.000 2.010 102 C HN 0.649 nan 8.230 nan 0.000 0.486 103 G N 0.597 109.339 108.800 -0.096 0.000 2.446 103 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.217 103 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.217 103 G C 1.612 176.463 174.900 -0.081 0.000 1.168 103 G CA 1.194 46.238 45.100 -0.093 0.000 0.771 103 G HN 0.583 nan 8.290 nan 0.000 0.551 104 L N -0.090 121.103 121.223 -0.051 0.000 2.046 104 L HA -0.046 4.293 4.340 -0.001 0.000 0.208 104 L C 2.919 179.773 176.870 -0.027 0.000 1.077 104 L CA 1.300 56.123 54.840 -0.027 0.000 0.747 104 L CB -0.429 41.624 42.059 -0.010 0.000 0.896 104 L HN 0.287 nan 8.230 nan 0.000 0.432 105 E N -0.299 119.880 120.200 -0.035 0.000 2.077 105 E HA -0.226 4.123 4.350 -0.001 0.000 0.193 105 E C 2.331 178.888 176.600 -0.072 0.000 0.989 105 E CA 1.203 57.602 56.400 -0.001 0.000 0.800 105 E CB -0.085 29.637 29.700 0.037 0.000 0.746 105 E HN 0.454 nan 8.360 nan 0.000 0.452 106 M N 0.242 119.684 119.600 -0.264 0.000 2.117 106 M HA -0.177 4.303 4.480 -0.001 0.000 0.262 106 M C 2.493 178.728 176.300 -0.109 0.000 1.065 106 M CA 1.470 56.460 55.300 -0.516 0.000 1.114 106 M CB -0.230 31.929 32.600 -0.735 0.000 1.361 106 M HN 0.134 nan 8.290 nan 0.000 0.408 107 A N -0.229 122.555 122.820 -0.060 0.000 1.902 107 A HA -0.195 4.125 4.320 -0.001 0.000 0.217 107 A C 2.072 179.648 177.584 -0.012 0.000 1.181 107 A CA 1.644 53.682 52.037 0.002 0.000 0.623 107 A CB -0.558 18.444 19.000 0.004 0.000 0.818 107 A HN 0.437 nan 8.150 nan 0.000 0.443 108 M N -0.748 118.846 119.600 -0.011 0.000 2.117 108 M HA -0.027 4.453 4.480 -0.001 0.000 0.262 108 M C 1.839 178.104 176.300 -0.059 0.000 1.065 108 M CA 1.480 56.776 55.300 -0.006 0.000 1.114 108 M CB -0.286 32.341 32.600 0.045 0.000 1.361 108 M HN 0.380 nan 8.290 nan 0.000 0.408 109 L N -0.955 120.232 121.223 -0.061 0.000 2.341 109 L HA -0.107 4.232 4.340 -0.001 0.000 0.214 109 L C 1.777 178.508 176.870 -0.230 0.000 1.115 109 L CA 0.653 55.366 54.840 -0.211 0.000 0.820 109 L CB -0.492 41.506 42.059 -0.102 0.000 0.944 109 L HN 0.300 nan 8.230 nan 0.000 0.452 110 D N 0.226 120.566 120.400 -0.099 0.000 2.103 110 D HA -0.143 4.497 4.640 -0.001 0.000 0.199 110 D C 2.210 178.371 176.300 -0.231 0.000 0.978 110 D CA 1.316 55.172 54.000 -0.239 0.000 0.829 110 D CB 0.225 40.835 40.800 -0.316 0.000 0.981 110 D HN 0.184 nan 8.370 nan 0.000 0.464 111 A N 0.126 122.854 122.820 -0.153 0.000 1.902 111 A HA -0.073 4.247 4.320 -0.001 0.000 0.217 111 A C 2.201 179.702 177.584 -0.139 0.000 1.181 111 A CA 1.392 53.354 52.037 -0.124 0.000 0.623 111 A CB -0.916 18.035 19.000 -0.082 0.000 0.818 111 A HN 0.391 nan 8.150 nan 0.000 0.443 112 L N 0.404 121.526 121.223 -0.168 0.000 1.994 112 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 112 L C 2.744 179.545 176.870 -0.115 0.000 1.071 112 L CA 3.052 57.803 54.840 -0.149 0.000 0.745 112 L CB -0.913 41.017 42.059 -0.216 0.000 0.892 112 L HN 0.535 nan 8.230 nan 0.000 0.431 113 T N -3.364 111.026 114.554 -0.273 0.000 2.951 113 T HA -0.141 4.208 4.350 -0.001 0.000 0.268 113 T C 2.026 176.627 174.700 -0.163 0.000 1.073 113 T CA 1.105 63.058 62.100 -0.246 0.000 1.134 113 T CB -0.471 68.124 68.868 -0.454 0.000 0.884 113 T HN 0.353 nan 8.240 nan 0.000 0.479 114 R N -0.114 120.273 120.500 -0.188 0.000 2.115 114 R HA 0.010 4.350 4.340 -0.001 0.000 0.226 114 R C 2.462 178.588 176.300 -0.290 0.000 1.100 114 R CA 1.287 57.275 56.100 -0.186 0.000 0.980 114 R CB -0.482 29.725 30.300 -0.155 0.000 0.875 114 R HN 0.617 nan 8.270 nan 0.000 0.445 115 H N -0.779 118.071 119.070 -0.367 0.000 2.422 115 H HA -0.156 4.400 4.556 -0.000 0.000 0.298 115 H C 0.684 175.581 175.328 -0.718 0.000 1.098 115 H CA 1.647 57.376 56.048 -0.531 0.000 1.315 115 H CB 0.109 29.545 29.762 -0.543 0.000 1.382 115 H HN 0.185 nan 8.280 nan 0.000 0.523 116 Y N -0.381 119.718 120.300 -0.335 0.000 2.485 116 Y HA 0.149 4.698 4.550 -0.001 0.000 0.260 116 Y C 0.114 175.895 175.900 -0.198 0.000 1.173 116 Y CA 0.416 58.361 58.100 -0.258 0.000 1.252 116 Y CB -0.252 38.177 38.460 -0.052 0.000 1.123 116 Y HN 0.389 nan 8.280 nan 0.000 0.524 117 H N -1.726 117.339 119.070 -0.009 0.000 2.862 117 H HA -0.231 4.325 4.556 -0.001 0.000 0.290 117 H C 0.270 175.580 175.328 -0.029 0.000 1.211 117 H CA 0.821 56.849 56.048 -0.034 0.000 1.140 117 H CB -1.590 28.149 29.762 -0.038 0.000 1.341 117 H HN 0.330 nan 8.280 nan 0.000 0.392 118 M N 1.385 120.992 119.600 0.012 0.000 2.268 118 M HA 0.382 4.862 4.480 -0.001 0.000 0.344 118 M C -2.582 173.630 176.300 -0.147 0.000 1.106 118 M CA -1.842 53.432 55.300 -0.043 0.000 1.010 118 M CB 1.563 34.148 32.600 -0.024 0.000 1.649 118 M HN -0.212 nan 8.290 nan 0.000 0.443 119 P HA 0.088 nan 4.420 nan 0.000 0.271 119 P C 0.248 177.283 177.300 -0.441 0.000 1.216 119 P CA -0.085 62.776 63.100 -0.397 0.000 0.776 119 P CB 0.634 31.919 31.700 -0.693 0.000 0.881 120 L N 2.126 123.104 121.223 -0.408 0.000 2.201 120 L HA -0.208 4.132 4.340 -0.001 0.000 0.212 120 L C 2.217 178.973 176.870 -0.189 0.000 1.105 120 L CA 1.467 56.075 54.840 -0.387 0.000 0.775 120 L CB -0.784 41.039 42.059 -0.394 0.000 0.913 120 L HN 0.608 nan 8.230 nan 0.000 0.440 121 H N -2.877 116.204 119.070 0.018 0.000 2.423 121 H HA -0.083 4.473 4.556 -0.001 0.000 0.297 121 H C 1.992 177.362 175.328 0.070 0.000 1.075 121 H CA 1.188 57.292 56.048 0.093 0.000 1.342 121 H CB -0.877 28.924 29.762 0.064 0.000 1.395 121 H HN 0.048 nan 8.280 nan 0.000 0.530 122 V N 0.555 120.404 119.914 -0.110 0.000 2.379 122 V HA -0.192 3.928 4.120 -0.001 0.000 0.245 122 V C 2.257 178.330 176.094 -0.036 0.000 1.044 122 V CA 1.714 63.996 62.300 -0.029 0.000 1.036 122 V CB -0.885 30.893 31.823 -0.074 0.000 0.664 122 V HN 0.391 nan 8.190 nan 0.000 0.453 123 F N 0.638 120.417 119.950 -0.284 0.000 2.095 123 F HA -0.222 4.305 4.527 -0.001 0.000 0.298 123 F C 1.935 177.553 175.800 -0.303 0.000 1.104 123 F CA 1.894 59.660 58.000 -0.391 0.000 1.232 123 F CB -0.244 38.346 39.000 -0.684 0.000 0.987 123 F HN 0.144 nan 8.300 nan 0.000 0.475 124 F N -0.501 119.430 119.950 -0.032 0.000 2.811 124 F HA 0.214 4.740 4.527 -0.001 0.000 0.301 124 F C 1.870 177.638 175.800 -0.053 0.000 1.151 124 F CA 0.443 58.397 58.000 -0.077 0.000 1.412 124 F CB 0.383 39.395 39.000 0.020 0.000 1.113 124 F HN 0.254 nan 8.300 nan 0.000 0.579 125 G N -0.805 108.054 108.800 0.100 0.000 3.465 125 G HA2 0.020 3.980 3.960 -0.001 0.000 0.196 125 G HA3 0.020 3.980 3.960 -0.001 0.000 0.196 125 G C 0.903 175.850 174.900 0.078 0.000 1.170 125 G CA -0.343 44.800 45.100 0.071 0.000 0.887 125 G HN 0.729 nan 8.290 nan 0.000 0.444 126 G N -0.574 108.300 108.800 0.122 0.000 2.140 126 G HA2 -0.033 3.926 3.960 -0.001 0.000 0.211 126 G HA3 -0.033 3.926 3.960 -0.001 0.000 0.211 126 G C 1.191 176.142 174.900 0.086 0.000 1.013 126 G CA 0.958 46.135 45.100 0.129 0.000 0.705 126 G HN 1.478 nan 8.290 nan 0.000 0.508 127 V N 0.292 120.252 119.914 0.075 0.000 2.255 127 V HA 0.014 4.134 4.120 -0.001 0.000 0.247 127 V C 1.849 177.961 176.094 0.030 0.000 1.051 127 V CA 2.667 64.997 62.300 0.050 0.000 1.018 127 V CB -0.438 31.419 31.823 0.056 0.000 0.641 127 V HN 1.255 nan 8.190 nan 0.000 0.445 128 S N -1.698 114.012 115.700 0.018 0.000 2.732 128 S HA 0.630 5.100 4.470 -0.001 0.000 0.293 128 S C -0.364 174.197 174.600 -0.065 0.000 1.159 128 S CA -0.870 57.320 58.200 -0.017 0.000 0.847 128 S CB 2.335 65.523 63.200 -0.019 0.000 1.169 128 S HN 0.206 nan 8.310 nan 0.000 0.501 129 K N -0.283 120.058 120.400 -0.099 0.000 2.564 129 K HA 0.338 4.658 4.320 -0.001 0.000 0.201 129 K C -0.486 176.043 176.600 -0.119 0.000 1.086 129 K CA 0.028 56.209 56.287 -0.178 0.000 1.062 129 K CB 0.926 33.306 32.500 -0.199 0.000 0.849 129 K HN 0.600 nan 8.250 nan 0.000 0.529 130 Q N 1.350 121.098 119.800 -0.087 0.000 2.289 130 Q HA 0.472 4.812 4.340 -0.001 0.000 0.270 130 Q C -1.680 174.269 176.000 -0.085 0.000 1.038 130 Q CA -0.638 55.120 55.803 -0.076 0.000 0.812 130 Q CB 1.435 30.141 28.738 -0.053 0.000 1.300 130 Q HN 0.068 nan 8.270 nan 0.000 0.427 131 L N 2.104 123.258 121.223 -0.114 0.000 2.371 131 L HA 0.595 4.934 4.340 -0.001 0.000 0.262 131 L C -0.760 176.036 176.870 -0.123 0.000 1.006 131 L CA -1.018 53.746 54.840 -0.126 0.000 0.818 131 L CB 2.329 44.278 42.059 -0.183 0.000 1.354 131 L HN 0.572 nan 8.230 nan 0.000 0.415 132 E N 1.484 121.629 120.200 -0.092 0.000 2.141 132 E HA 0.284 4.634 4.350 -0.001 0.000 0.259 132 E C -0.785 175.780 176.600 -0.058 0.000 0.883 132 E CA -0.272 56.086 56.400 -0.069 0.000 0.744 132 E CB 2.275 31.949 29.700 -0.044 0.000 1.150 132 E HN 0.430 nan 8.360 nan 0.000 0.420 133 T N 1.986 116.497 114.554 -0.071 0.000 2.928 133 T HA 0.248 4.598 4.350 -0.001 0.000 0.284 133 T C -0.148 174.555 174.700 0.005 0.000 1.008 133 T CA -0.568 61.504 62.100 -0.047 0.000 1.057 133 T CB 0.781 69.591 68.868 -0.095 0.000 1.018 133 T HN 0.466 nan 8.240 nan 0.000 0.493 134 D N 2.173 122.594 120.400 0.034 0.000 2.478 134 D HA 0.517 5.157 4.640 -0.001 0.000 0.269 134 D C -0.309 176.029 176.300 0.064 0.000 1.232 134 D CA -0.588 53.445 54.000 0.056 0.000 1.059 134 D CB 0.611 41.458 40.800 0.078 0.000 1.104 134 D HN 0.479 nan 8.370 nan 0.000 0.566 135 M N -0.737 118.911 119.600 0.081 0.000 2.433 135 M HA 0.332 4.812 4.480 -0.001 0.000 0.290 135 M C -1.428 174.949 176.300 0.128 0.000 1.173 135 M CA -0.468 54.905 55.300 0.122 0.000 0.905 135 M CB 2.392 35.070 32.600 0.130 0.000 1.692 135 M HN 0.518 nan 8.290 nan 0.000 0.462 136 T N 4.058 118.716 114.554 0.174 0.000 2.913 136 T HA 0.600 4.950 4.350 -0.001 0.000 0.287 136 T C -0.373 174.451 174.700 0.206 0.000 1.008 136 T CA -0.351 61.835 62.100 0.144 0.000 1.067 136 T CB 0.672 69.574 68.868 0.056 0.000 0.996 136 T HN 0.497 nan 8.240 nan 0.000 0.513 137 I N 2.639 123.292 120.570 0.140 0.000 2.410 137 I HA 0.292 4.462 4.170 -0.001 0.000 0.286 137 I C 0.212 176.399 176.117 0.116 0.000 1.009 137 I CA -0.755 60.627 61.300 0.137 0.000 1.111 137 I CB 1.726 39.782 38.000 0.092 0.000 1.262 137 I HN 0.686 nan 8.210 nan 0.000 0.443 138 T N 3.444 118.085 114.554 0.145 0.000 2.794 138 T HA 0.821 5.171 4.350 -0.001 0.000 0.280 138 T C 0.428 175.186 174.700 0.096 0.000 0.987 138 T CA -0.146 62.017 62.100 0.105 0.000 0.993 138 T CB 1.762 70.695 68.868 0.108 0.000 0.939 138 T HN 1.035 nan 8.240 nan 0.000 0.449 139 A N 2.385 125.248 122.820 0.073 0.000 6.082 139 A HA 0.321 4.641 4.320 -0.001 0.000 0.269 139 A C 0.872 178.502 177.584 0.076 0.000 2.078 139 A CA 0.595 52.675 52.037 0.072 0.000 0.711 139 A CB -1.826 17.213 19.000 0.064 0.000 1.114 139 A HN 3.143 nan 8.150 nan 0.000 0.371 140 G N -1.227 107.610 108.800 0.062 0.000 2.767 140 G HA2 0.371 4.331 3.960 -0.001 0.000 0.686 140 G HA3 0.371 4.331 3.960 -0.001 0.000 0.686 140 G C -0.307 174.633 174.900 0.067 0.000 1.213 140 G CA 0.936 46.067 45.100 0.051 0.000 0.803 140 G HN 2.294 nan 8.290 nan 0.000 0.603 141 D N 0.647 121.064 120.400 0.029 0.000 2.315 141 D HA 0.152 4.792 4.640 -0.001 0.000 0.275 141 D C 1.664 178.023 176.300 0.098 0.000 1.218 141 D CA 0.287 54.352 54.000 0.108 0.000 1.040 141 D CB 0.208 41.078 40.800 0.117 0.000 1.123 141 D HN 0.582 nan 8.370 nan 0.000 0.541 142 E N -0.235 120.019 120.200 0.091 0.000 2.077 142 E HA -0.131 4.218 4.350 -0.001 0.000 0.193 142 E C 2.221 178.866 176.600 0.075 0.000 0.989 142 E CA 0.840 57.271 56.400 0.051 0.000 0.800 142 E CB -0.637 29.091 29.700 0.047 0.000 0.746 142 E HN 0.254 nan 8.360 nan 0.000 0.452 143 V N 1.077 121.068 119.914 0.128 0.000 2.725 143 V HA -0.120 3.999 4.120 -0.001 0.000 0.247 143 V C 1.895 178.025 176.094 0.061 0.000 1.058 143 V CA 1.305 63.653 62.300 0.080 0.000 1.080 143 V CB -0.479 31.377 31.823 0.055 0.000 0.713 143 V HN 0.217 nan 8.190 nan 0.000 0.465 144 H N 0.284 119.368 119.070 0.023 0.000 2.389 144 H HA 0.022 4.578 4.556 -0.001 0.000 0.299 144 H C 2.147 177.487 175.328 0.020 0.000 1.081 144 H CA 1.651 57.714 56.048 0.024 0.000 1.345 144 H CB -0.226 29.558 29.762 0.036 0.000 1.393 144 H HN 0.452 nan 8.280 nan 0.000 0.520 145 A N 0.210 123.113 122.820 0.139 0.000 2.123 145 A HA 0.214 4.533 4.320 -0.001 0.000 0.214 145 A C 2.362 179.973 177.584 0.044 0.000 1.152 145 A CA 0.887 52.970 52.037 0.077 0.000 0.728 145 A CB -0.488 18.544 19.000 0.053 0.000 0.814 145 A HN 0.430 nan 8.150 nan 0.000 0.464 146 A N 0.045 122.886 122.820 0.034 0.000 1.897 146 A HA 0.277 4.597 4.320 -0.001 0.000 0.215 146 A C 2.420 180.003 177.584 -0.001 0.000 1.181 146 A CA 1.606 53.650 52.037 0.011 0.000 0.620 146 A CB -0.821 18.182 19.000 0.004 0.000 0.821 146 A HN 0.900 nan 8.150 nan 0.000 0.443 147 A N -0.682 122.132 122.820 -0.011 0.000 1.930 147 A HA -0.013 4.307 4.320 -0.001 0.000 0.217 147 A C 2.405 179.982 177.584 -0.012 0.000 1.175 147 A CA 1.876 53.898 52.037 -0.025 0.000 0.627 147 A CB -0.732 18.233 19.000 -0.057 0.000 0.815 147 A HN 0.413 nan 8.150 nan 0.000 0.443 148 S N -0.165 115.538 115.700 0.005 0.000 2.368 148 S HA -0.060 4.410 4.470 -0.001 0.000 0.225 148 S C 2.303 176.913 174.600 0.016 0.000 1.030 148 S CA 1.221 59.429 58.200 0.013 0.000 0.999 148 S CB -0.407 62.815 63.200 0.037 0.000 0.844 148 S HN 0.787 nan 8.310 nan 0.000 0.459 149 A N 1.651 124.483 122.820 0.020 0.000 1.969 149 A HA -0.079 4.241 4.320 -0.001 0.000 0.218 149 A C 2.047 179.638 177.584 0.012 0.000 1.169 149 A CA 1.138 53.188 52.037 0.022 0.000 0.635 149 A CB -0.282 18.732 19.000 0.024 0.000 0.810 149 A HN 0.268 nan 8.150 nan 0.000 0.445 150 K N -0.202 120.199 120.400 0.002 0.000 2.097 150 K HA -0.005 4.315 4.320 -0.001 0.000 0.205 150 K C 2.092 178.690 176.600 -0.003 0.000 1.050 150 K CA 1.179 57.464 56.287 -0.004 0.000 0.938 150 K CB -0.454 32.039 32.500 -0.012 0.000 0.718 150 K HN 0.447 nan 8.250 nan 0.000 0.442 151 A N 0.822 123.640 122.820 -0.004 0.000 2.119 151 A HA 0.000 4.320 4.320 -0.001 0.000 0.217 151 A C 2.007 179.591 177.584 -0.000 0.000 1.153 151 A CA 0.730 52.763 52.037 -0.007 0.000 0.692 151 A CB -0.320 18.671 19.000 -0.016 0.000 0.799 151 A HN 0.153 nan 8.150 nan 0.000 0.458 152 I N -1.611 118.965 120.570 0.010 0.000 2.731 152 I HA -0.047 4.123 4.170 -0.001 0.000 0.260 152 I C 1.878 178.008 176.117 0.021 0.000 1.138 152 I CA 0.499 61.811 61.300 0.020 0.000 1.461 152 I CB -0.041 37.980 38.000 0.034 0.000 1.128 152 I HN 0.191 nan 8.210 nan 0.000 0.438 153 L N 0.762 121.996 121.223 0.018 0.000 2.313 153 L HA 0.023 4.363 4.340 -0.001 0.000 0.214 153 L C 2.569 179.446 176.870 0.011 0.000 1.119 153 L CA 1.126 55.976 54.840 0.016 0.000 0.809 153 L CB -0.560 41.509 42.059 0.016 0.000 0.933 153 L HN 0.146 nan 8.230 nan 0.000 0.449 154 A N -0.764 122.060 122.820 0.007 0.000 2.014 154 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 154 A C 2.447 180.034 177.584 0.006 0.000 1.163 154 A CA 1.097 53.136 52.037 0.004 0.000 0.652 154 A CB -0.438 18.562 19.000 -0.000 0.000 0.808 154 A HN 0.310 nan 8.150 nan 0.000 0.449 155 R N -1.239 119.266 120.500 0.009 0.000 2.193 155 R HA 0.068 4.408 4.340 -0.001 0.000 0.213 155 R C 1.036 177.345 176.300 0.015 0.000 1.055 155 R CA 0.834 56.942 56.100 0.012 0.000 0.995 155 R CB -0.097 30.212 30.300 0.015 0.000 0.893 155 R HN 0.719 nan 8.270 nan 0.000 0.459 156 G N 0.597 109.406 108.800 0.015 0.000 2.173 156 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.174 156 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.174 156 G C -0.182 174.728 174.900 0.016 0.000 1.025 156 G CA -0.371 44.737 45.100 0.014 0.000 0.706 156 G HN 0.192 nan 8.290 nan 0.000 0.499 157 I N 0.129 120.711 120.570 0.020 0.000 2.330 157 I HA 0.362 4.531 4.170 -0.001 0.000 0.289 157 I C 1.290 177.423 176.117 0.027 0.000 1.001 157 I CA -0.999 60.316 61.300 0.024 0.000 1.193 157 I CB 1.600 39.620 38.000 0.034 0.000 1.345 157 I HN -0.058 nan 8.210 nan 0.000 0.461 158 K N 2.924 123.338 120.400 0.024 0.000 2.031 158 K HA -0.015 4.305 4.320 -0.001 0.000 0.205 158 K C 0.585 177.209 176.600 0.040 0.000 1.049 158 K CA 0.960 57.263 56.287 0.027 0.000 0.939 158 K CB 0.034 32.544 32.500 0.018 0.000 0.717 158 K HN 0.722 nan 8.250 nan 0.000 0.438 159 S N 0.267 115.996 115.700 0.049 0.000 2.593 159 S HA 0.662 5.131 4.470 -0.001 0.000 0.297 159 S C -0.209 174.432 174.600 0.069 0.000 1.112 159 S CA -1.125 57.116 58.200 0.067 0.000 1.043 159 S CB 1.447 64.703 63.200 0.092 0.000 1.054 159 S HN 0.233 nan 8.310 nan 0.000 0.516 160 I N -1.545 119.067 120.570 0.070 0.000 3.002 160 I HA 0.786 4.956 4.170 -0.001 0.000 0.310 160 I C -0.953 175.201 176.117 0.063 0.000 1.087 160 I CA -1.104 60.237 61.300 0.067 0.000 1.017 160 I CB 2.023 40.060 38.000 0.063 0.000 1.226 160 I HN 0.720 nan 8.210 nan 0.000 0.443 161 K N 3.667 124.103 120.400 0.060 0.000 2.413 161 K HA 0.694 5.014 4.320 -0.001 0.000 0.257 161 K C -1.133 175.495 176.600 0.047 0.000 0.946 161 K CA -0.846 55.468 56.287 0.044 0.000 0.823 161 K CB 1.795 34.313 32.500 0.030 0.000 1.109 161 K HN 0.757 nan 8.250 nan 0.000 0.427 162 V N 1.122 121.062 119.914 0.043 0.000 2.713 162 V HA 0.593 4.712 4.120 -0.001 0.000 0.307 162 V C -0.973 175.143 176.094 0.038 0.000 1.052 162 V CA -0.607 61.721 62.300 0.047 0.000 0.967 162 V CB 1.581 33.437 31.823 0.055 0.000 1.019 162 V HN 0.835 nan 8.190 nan 0.000 0.459 163 K N 3.221 123.640 120.400 0.032 0.000 2.575 163 K HA 0.459 4.779 4.320 -0.001 0.000 0.236 163 K C -0.096 176.510 176.600 0.010 0.000 0.976 163 K CA -0.178 56.116 56.287 0.012 0.000 0.985 163 K CB 0.962 33.458 32.500 -0.006 0.000 1.198 163 K HN 1.129 nan 8.250 nan 0.000 0.464 164 T N -0.356 114.202 114.554 0.007 0.000 2.881 164 T HA 0.439 4.789 4.350 -0.001 0.000 0.278 164 T C 1.226 175.871 174.700 -0.091 0.000 0.982 164 T CA -0.328 61.761 62.100 -0.018 0.000 0.989 164 T CB 1.766 70.629 68.868 -0.008 0.000 1.058 164 T HN 0.393 nan 8.240 nan 0.000 0.529 165 A N 0.483 123.245 122.820 -0.098 0.000 1.874 165 A HA 0.506 4.825 4.320 -0.001 0.000 0.214 165 A C 2.117 179.489 177.584 -0.352 0.000 1.189 165 A CA 1.251 53.201 52.037 -0.144 0.000 0.615 165 A CB -1.398 17.577 19.000 -0.041 0.000 0.830 165 A HN 2.165 nan 8.150 nan 0.000 0.443 166 G N -2.033 106.434 108.800 -0.554 0.000 2.232 166 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.226 166 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.226 166 G C 1.340 175.950 174.900 -0.482 0.000 0.996 166 G CA 0.932 45.378 45.100 -1.091 0.000 0.626 166 G HN 1.424 nan 8.290 nan 0.000 0.509 167 V N -1.458 118.317 119.914 -0.231 0.000 2.323 167 V HA 0.279 4.399 4.120 -0.001 0.000 0.244 167 V C 0.907 176.988 176.094 -0.022 0.000 1.041 167 V CA 2.126 64.365 62.300 -0.100 0.000 1.025 167 V CB -0.251 31.527 31.823 -0.074 0.000 0.656 167 V HN 0.324 nan 8.190 nan 0.000 0.451 168 D N -0.132 120.282 120.400 0.024 0.000 2.440 168 D HA 0.474 5.113 4.640 -0.001 0.000 0.239 168 D C 0.913 177.316 176.300 0.172 0.000 1.084 168 D CA 0.200 54.259 54.000 0.099 0.000 0.843 168 D CB 1.920 42.786 40.800 0.109 0.000 1.097 168 D HN 0.129 nan 8.370 nan 0.000 0.531 169 V N 2.166 122.198 119.914 0.196 0.000 2.515 169 V HA -0.052 4.067 4.120 -0.001 0.000 0.250 169 V C 2.062 178.308 176.094 0.253 0.000 1.058 169 V CA 1.495 63.972 62.300 0.296 0.000 1.064 169 V CB -0.853 31.155 31.823 0.310 0.000 0.675 169 V HN 0.508 nan 8.190 nan 0.000 0.461 170 A N -0.409 122.523 122.820 0.187 0.000 1.933 170 A HA -0.175 4.145 4.320 -0.001 0.000 0.218 170 A C 2.188 179.883 177.584 0.185 0.000 1.175 170 A CA 1.975 54.105 52.037 0.154 0.000 0.628 170 A CB -0.869 18.206 19.000 0.124 0.000 0.814 170 A HN 0.710 nan 8.150 nan 0.000 0.444 171 Y N 0.812 121.160 120.300 0.080 0.000 2.314 171 Y HA -0.093 4.457 4.550 -0.001 0.000 0.293 171 Y C 1.639 177.600 175.900 0.101 0.000 1.129 171 Y CA 1.557 59.698 58.100 0.068 0.000 1.201 171 Y CB -0.096 38.388 38.460 0.040 0.000 0.999 171 Y HN 0.332 nan 8.280 nan 0.000 0.541 172 D N -0.027 120.454 120.400 0.135 0.000 2.123 172 D HA -0.129 4.511 4.640 -0.001 0.000 0.200 172 D C 2.180 178.620 176.300 0.233 0.000 0.976 172 D CA 1.387 55.486 54.000 0.164 0.000 0.831 172 D CB -0.311 40.681 40.800 0.320 0.000 0.974 172 D HN 0.369 nan 8.370 nan 0.000 0.469 173 L N 0.362 121.709 121.223 0.207 0.000 2.156 173 L HA -0.037 4.302 4.340 -0.001 0.000 0.208 173 L C 2.373 179.230 176.870 -0.021 0.000 1.095 173 L CA 0.841 55.697 54.840 0.026 0.000 0.770 173 L CB -0.262 41.776 42.059 -0.035 0.000 0.914 173 L HN -0.031 nan 8.230 nan 0.000 0.439 174 A N -0.070 122.740 122.820 -0.016 0.000 1.930 174 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 174 A C 2.401 179.935 177.584 -0.084 0.000 1.175 174 A CA 1.240 53.253 52.037 -0.040 0.000 0.627 174 A CB -0.368 18.621 19.000 -0.018 0.000 0.815 174 A HN 0.287 nan 8.150 nan 0.000 0.443 175 R N -0.852 119.553 120.500 -0.158 0.000 2.090 175 R HA 0.081 4.421 4.340 -0.001 0.000 0.228 175 R C 2.017 178.290 176.300 -0.045 0.000 1.110 175 R CA 0.968 56.975 56.100 -0.155 0.000 0.973 175 R CB -0.342 29.796 30.300 -0.271 0.000 0.869 175 R HN 0.471 nan 8.270 nan 0.000 0.440 176 L N 0.311 121.531 121.223 -0.006 0.000 2.093 176 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 176 L C 2.492 179.371 176.870 0.015 0.000 1.085 176 L CA 1.286 56.133 54.840 0.012 0.000 0.755 176 L CB -0.241 41.813 42.059 -0.009 0.000 0.904 176 L HN 0.213 nan 8.230 nan 0.000 0.435 177 R N -0.393 120.106 120.500 -0.003 0.000 2.080 177 R HA -0.187 4.152 4.340 -0.001 0.000 0.236 177 R C 2.325 178.644 176.300 0.032 0.000 1.137 177 R CA 1.572 57.690 56.100 0.030 0.000 0.943 177 R CB -0.452 29.850 30.300 0.003 0.000 0.846 177 R HN 0.356 nan 8.270 nan 0.000 0.431 178 A N 1.005 123.829 122.820 0.005 0.000 1.908 178 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 178 A C 2.152 179.738 177.584 0.004 0.000 1.181 178 A CA 1.342 53.378 52.037 -0.002 0.000 0.627 178 A CB -0.492 18.504 19.000 -0.006 0.000 0.818 178 A HN 0.215 nan 8.150 nan 0.000 0.445 179 I N -1.500 119.084 120.570 0.023 0.000 2.202 179 I HA -0.242 3.927 4.170 -0.001 0.000 0.242 179 I C 2.524 178.674 176.117 0.056 0.000 1.091 179 I CA 1.793 63.115 61.300 0.037 0.000 1.368 179 I CB -0.408 37.619 38.000 0.045 0.000 1.058 179 I HN 0.580 nan 8.210 nan 0.000 0.410 180 H N 0.622 119.682 119.070 -0.017 0.000 2.423 180 H HA -0.152 4.403 4.556 -0.001 0.000 0.297 180 H C 2.155 177.474 175.328 -0.014 0.000 1.075 180 H CA 1.644 57.681 56.048 -0.018 0.000 1.342 180 H CB 0.014 29.757 29.762 -0.031 0.000 1.395 180 H HN 0.290 nan 8.280 nan 0.000 0.530 181 Q N -0.493 119.188 119.800 -0.198 0.000 2.123 181 Q HA -0.041 4.298 4.340 -0.001 0.000 0.199 181 Q C 2.219 178.129 176.000 -0.150 0.000 0.966 181 Q CA 1.036 56.704 55.803 -0.225 0.000 0.845 181 Q CB -0.106 28.568 28.738 -0.107 0.000 0.907 181 Q HN 0.619 nan 8.270 nan 0.000 0.439 182 A N -0.059 122.711 122.820 -0.083 0.000 2.066 182 A HA 0.208 4.528 4.320 -0.001 0.000 0.218 182 A C 0.947 178.503 177.584 -0.047 0.000 1.157 182 A CA 1.066 53.072 52.037 -0.051 0.000 0.670 182 A CB 0.132 19.118 19.000 -0.023 0.000 0.804 182 A HN 0.275 nan 8.150 nan 0.000 0.453 183 A N -0.334 122.455 122.820 -0.053 0.000 2.855 183 A HA 0.588 4.908 4.320 -0.001 0.000 0.313 183 A C -1.767 175.804 177.584 -0.021 0.000 1.173 183 A CA -0.936 51.088 52.037 -0.021 0.000 0.753 183 A CB 0.679 19.691 19.000 0.021 0.000 1.200 183 A HN 0.092 nan 8.150 nan 0.000 0.442 184 P HA -0.129 nan 4.420 nan 0.000 0.218 184 P C 1.128 178.490 177.300 0.104 0.000 1.149 184 P CA 1.961 65.007 63.100 -0.089 0.000 0.817 184 P CB -0.077 31.563 31.700 -0.100 0.000 0.785 185 T N -3.648 110.945 114.554 0.064 0.000 3.206 185 T HA 0.514 4.864 4.350 -0.001 0.000 0.253 185 T C 0.756 175.498 174.700 0.070 0.000 1.042 185 T CA -0.477 61.662 62.100 0.066 0.000 0.931 185 T CB -0.427 68.463 68.868 0.036 0.000 1.029 185 T HN 0.052 nan 8.240 nan 0.000 0.564 186 A N 2.706 125.581 122.820 0.093 0.000 2.252 186 A HA 0.674 4.993 4.320 -0.001 0.000 0.309 186 A C -2.798 174.833 177.584 0.078 0.000 1.285 186 A CA -2.006 50.078 52.037 0.079 0.000 0.900 186 A CB 0.422 19.468 19.000 0.076 0.000 1.157 186 A HN 0.190 nan 8.150 nan 0.000 0.536 187 P HA 0.260 nan 4.420 nan 0.000 0.271 187 P C -0.889 176.452 177.300 0.069 0.000 1.233 187 P CA 0.342 63.483 63.100 0.068 0.000 0.764 187 P CB 0.403 32.156 31.700 0.088 0.000 0.825 188 L N 4.595 125.840 121.223 0.036 0.000 2.295 188 L HA 0.504 4.844 4.340 -0.001 0.000 0.285 188 L C 0.324 177.200 176.870 0.010 0.000 1.035 188 L CA -0.627 54.225 54.840 0.020 0.000 0.806 188 L CB 0.925 42.975 42.059 -0.016 0.000 1.214 188 L HN 0.223 nan 8.230 nan 0.000 0.426 189 I N 3.729 124.310 120.570 0.019 0.000 2.359 189 I HA 0.253 4.422 4.170 -0.001 0.000 0.284 189 I C -0.441 175.680 176.117 0.008 0.000 1.018 189 I CA -0.624 60.668 61.300 -0.012 0.000 1.173 189 I CB 1.685 39.667 38.000 -0.030 0.000 1.326 189 I HN 0.235 nan 8.210 nan 0.000 0.462 190 V N 4.891 124.829 119.914 0.039 0.000 2.334 190 V HA 0.140 4.260 4.120 -0.001 0.000 0.267 190 V C -0.006 176.191 176.094 0.171 0.000 1.040 190 V CA -0.353 62.017 62.300 0.117 0.000 0.866 190 V CB 1.159 33.053 31.823 0.118 0.000 1.019 190 V HN 0.598 nan 8.190 nan 0.000 0.468 191 D N 4.319 124.762 120.400 0.072 0.000 2.393 191 D HA 0.279 4.919 4.640 -0.001 0.000 0.232 191 D C 1.219 177.536 176.300 0.028 0.000 1.192 191 D CA 0.200 54.207 54.000 0.011 0.000 0.882 191 D CB 1.583 42.361 40.800 -0.038 0.000 1.038 191 D HN 0.552 nan 8.370 nan 0.000 0.499 192 G N 3.305 112.126 108.800 0.034 0.000 2.511 192 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.217 192 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.217 192 G C 0.955 175.811 174.900 -0.073 0.000 1.133 192 G CA -0.081 45.074 45.100 0.092 0.000 0.792 192 G HN 0.669 nan 8.290 nan 0.000 0.539 193 N N -1.177 117.462 118.700 -0.102 0.000 2.688 193 N HA -0.243 4.496 4.740 -0.001 0.000 0.258 193 N C 0.800 176.235 175.510 -0.125 0.000 1.016 193 N CA 0.723 53.702 53.050 -0.118 0.000 0.747 193 N CB -1.675 36.747 38.487 -0.108 0.000 0.895 193 N HN 0.501 nan 8.380 nan 0.000 0.543 194 C N -3.039 116.184 119.300 -0.129 0.000 4.297 194 C HA -0.168 4.292 4.460 -0.001 0.000 0.290 194 C C 2.013 176.933 174.990 -0.117 0.000 1.444 194 C CA 0.675 59.621 59.018 -0.120 0.000 1.982 194 C CB -2.269 25.401 27.740 -0.117 0.000 1.276 194 C HN 0.870 nan 8.230 nan 0.000 0.797 195 G N -2.379 106.319 108.800 -0.170 0.000 2.662 195 G HA2 0.329 4.289 3.960 -0.001 0.000 0.212 195 G HA3 0.329 4.289 3.960 -0.001 0.000 0.212 195 G C 0.155 174.884 174.900 -0.285 0.000 1.141 195 G CA 0.256 45.203 45.100 -0.255 0.000 0.797 195 G HN 0.600 nan 8.290 nan 0.000 0.531 196 Y N 1.565 121.801 120.300 -0.106 0.000 2.316 196 Y HA 0.386 4.936 4.550 -0.001 0.000 0.324 196 Y C 0.678 176.540 175.900 -0.064 0.000 1.267 196 Y CA -1.181 56.874 58.100 -0.074 0.000 1.311 196 Y CB 0.936 39.347 38.460 -0.082 0.000 1.267 196 Y HN 0.129 nan 8.280 nan 0.000 0.516 197 D N -1.061 119.426 120.400 0.144 0.000 2.588 197 D HA 0.153 4.793 4.640 -0.001 0.000 0.268 197 D C 0.835 177.188 176.300 0.087 0.000 1.176 197 D CA -0.525 53.523 54.000 0.079 0.000 1.080 197 D CB 0.523 41.354 40.800 0.051 0.000 1.186 197 D HN 0.291 nan 8.370 nan 0.000 0.619 198 V N 0.575 120.523 119.914 0.055 0.000 2.287 198 V HA -0.275 3.845 4.120 -0.001 0.000 0.248 198 V C 2.422 178.557 176.094 0.069 0.000 1.053 198 V CA 2.696 65.026 62.300 0.050 0.000 1.027 198 V CB -1.326 30.521 31.823 0.040 0.000 0.646 198 V HN 0.754 nan 8.190 nan 0.000 0.447 199 E N 0.533 120.778 120.200 0.074 0.000 2.107 199 E HA -0.193 4.157 4.350 -0.001 0.000 0.191 199 E C 2.293 178.959 176.600 0.111 0.000 0.982 199 E CA 0.986 57.434 56.400 0.081 0.000 0.809 199 E CB -0.347 29.393 29.700 0.068 0.000 0.756 199 E HN 0.495 nan 8.360 nan 0.000 0.459 200 R N 0.601 121.188 120.500 0.144 0.000 2.090 200 R HA 0.044 4.383 4.340 -0.001 0.000 0.228 200 R C 2.448 178.884 176.300 0.227 0.000 1.110 200 R CA 1.088 57.319 56.100 0.219 0.000 0.973 200 R CB -0.258 30.211 30.300 0.282 0.000 0.869 200 R HN 0.269 nan 8.270 nan 0.000 0.440 201 A N 1.110 124.005 122.820 0.124 0.000 1.930 201 A HA -0.085 4.234 4.320 -0.001 0.000 0.217 201 A C 2.136 179.802 177.584 0.136 0.000 1.175 201 A CA 0.945 52.963 52.037 -0.032 0.000 0.627 201 A CB -0.379 18.585 19.000 -0.059 0.000 0.815 201 A HN 0.157 nan 8.150 nan 0.000 0.443 202 L N -0.848 120.451 121.223 0.127 0.000 2.056 202 L HA -0.162 4.178 4.340 -0.001 0.000 0.207 202 L C 3.072 180.011 176.870 0.116 0.000 1.078 202 L CA 1.014 55.928 54.840 0.123 0.000 0.749 202 L CB -0.430 41.683 42.059 0.090 0.000 0.901 202 L HN 0.434 nan 8.230 nan 0.000 0.433 203 A N -0.541 122.353 122.820 0.123 0.000 1.969 203 A HA -0.252 4.067 4.320 -0.001 0.000 0.218 203 A C 2.151 179.805 177.584 0.116 0.000 1.169 203 A CA 1.256 53.359 52.037 0.110 0.000 0.635 203 A CB -0.757 18.316 19.000 0.122 0.000 0.810 203 A HN 0.408 nan 8.150 nan 0.000 0.445 204 F N 0.036 119.978 119.950 -0.014 0.000 2.102 204 F HA -0.233 4.294 4.527 -0.001 0.000 0.298 204 F C 2.422 178.136 175.800 -0.144 0.000 1.105 204 F CA 1.991 59.938 58.000 -0.088 0.000 1.239 204 F CB -0.326 38.557 39.000 -0.195 0.000 0.991 204 F HN 0.284 nan 8.300 nan 0.000 0.474 205 C N 0.175 119.491 119.300 0.026 0.000 2.450 205 C HA 0.033 4.493 4.460 -0.001 0.000 0.279 205 C C 3.103 178.166 174.990 0.122 0.000 1.335 205 C CA 0.898 59.958 59.018 0.071 0.000 1.749 205 C CB -1.660 26.245 27.740 0.276 0.000 1.963 205 C HN 0.626 nan 8.230 nan 0.000 0.501 206 A N 0.476 123.322 122.820 0.045 0.000 1.898 206 A HA 0.084 4.404 4.320 -0.001 0.000 0.216 206 A C 2.318 179.887 177.584 -0.025 0.000 1.181 206 A CA 1.947 53.992 52.037 0.015 0.000 0.620 206 A CB -0.724 18.284 19.000 0.014 0.000 0.819 206 A HN 0.552 nan 8.150 nan 0.000 0.442 207 A N -1.423 121.351 122.820 -0.077 0.000 2.014 207 A HA -0.055 4.264 4.320 -0.001 0.000 0.218 207 A C 2.198 179.694 177.584 -0.147 0.000 1.163 207 A CA 1.384 53.354 52.037 -0.111 0.000 0.652 207 A CB -1.038 17.880 19.000 -0.137 0.000 0.808 207 A HN 0.567 nan 8.150 nan 0.000 0.449 208 C N -0.745 118.432 119.300 -0.205 0.000 2.440 208 C HA -0.022 4.438 4.460 -0.001 0.000 0.278 208 C C 2.657 177.662 174.990 0.025 0.000 1.295 208 C CA 1.377 60.276 59.018 -0.197 0.000 1.738 208 C CB -0.807 26.690 27.740 -0.405 0.000 1.987 208 C HN 0.717 nan 8.230 nan 0.000 0.492 209 K N 0.908 121.382 120.400 0.123 0.000 2.103 209 K HA -0.031 4.289 4.320 -0.001 0.000 0.204 209 K C 2.108 178.696 176.600 -0.020 0.000 1.052 209 K CA 1.306 57.619 56.287 0.044 0.000 0.945 209 K CB -0.224 32.227 32.500 -0.082 0.000 0.722 209 K HN 0.384 nan 8.250 nan 0.000 0.443 210 A N 1.226 124.029 122.820 -0.029 0.000 1.898 210 A HA -0.122 4.198 4.320 -0.001 0.000 0.216 210 A C 1.419 178.985 177.584 -0.030 0.000 1.181 210 A CA 1.425 53.442 52.037 -0.032 0.000 0.620 210 A CB -0.276 18.705 19.000 -0.031 0.000 0.819 210 A HN 0.422 nan 8.150 nan 0.000 0.442 211 E N 0.657 120.833 120.200 -0.041 0.000 2.445 211 E HA 0.120 4.469 4.350 -0.001 0.000 0.189 211 E C 0.399 176.980 176.600 -0.032 0.000 1.069 211 E CA 0.401 56.781 56.400 -0.033 0.000 0.871 211 E CB -0.130 29.545 29.700 -0.042 0.000 0.991 211 E HN 0.709 nan 8.360 nan 0.000 0.481 212 S N -0.252 115.424 115.700 -0.040 0.000 3.521 212 S HA -0.259 4.211 4.470 -0.001 0.000 0.362 212 S C 0.235 174.749 174.600 -0.142 0.000 1.044 212 S CA 0.315 58.487 58.200 -0.048 0.000 1.091 212 S CB -2.621 60.571 63.200 -0.014 0.000 0.908 212 S HN 0.328 nan 8.310 nan 0.000 0.473 213 I N 2.359 122.804 120.570 -0.208 0.000 2.517 213 I HA 0.232 4.401 4.170 -0.001 0.000 0.285 213 I C -1.507 174.436 176.117 -0.290 0.000 1.106 213 I CA -1.905 59.145 61.300 -0.417 0.000 1.402 213 I CB 0.589 38.390 38.000 -0.332 0.000 1.399 213 I HN 0.077 nan 8.210 nan 0.000 0.535 214 P HA 0.083 nan 4.420 nan 0.000 0.212 214 P C -0.212 177.034 177.300 -0.090 0.000 1.816 214 P CA -0.344 62.681 63.100 -0.124 0.000 0.944 214 P CB 0.084 31.730 31.700 -0.090 0.000 1.896 215 M N 1.546 121.047 119.600 -0.164 0.000 2.364 215 M HA 0.017 4.496 4.480 -0.001 0.000 0.342 215 M C 0.551 176.817 176.300 -0.057 0.000 1.601 215 M CA 0.342 55.504 55.300 -0.229 0.000 1.156 215 M CB 0.827 33.073 32.600 -0.591 0.000 1.912 215 M HN -0.095 nan 8.290 nan 0.000 0.460 216 V N 6.944 126.884 119.914 0.044 0.000 3.354 216 V HA 0.224 4.343 4.120 -0.001 0.000 0.258 216 V C -0.302 175.912 176.094 0.200 0.000 1.159 216 V CA 0.667 63.079 62.300 0.186 0.000 1.125 216 V CB 0.382 32.353 31.823 0.248 0.000 0.774 216 V HN 0.781 nan 8.190 nan 0.000 0.464 217 L N -0.926 120.313 121.223 0.027 0.000 2.549 217 L HA 0.492 4.831 4.340 -0.001 0.000 0.259 217 L C -1.768 175.098 176.870 -0.006 0.000 0.934 217 L CA -0.487 54.307 54.840 -0.077 0.000 0.865 217 L CB 1.979 43.741 42.059 -0.494 0.000 1.352 217 L HN -0.036 nan 8.230 nan 0.000 0.410 218 F N 4.396 124.252 119.950 -0.157 0.000 2.359 218 F HA 0.435 4.962 4.527 -0.001 0.000 0.370 218 F C 0.123 175.838 175.800 -0.141 0.000 1.077 218 F CA -0.730 57.178 58.000 -0.154 0.000 1.136 218 F CB 0.687 39.603 39.000 -0.139 0.000 1.387 218 F HN 0.608 nan 8.300 nan 0.000 0.468 219 E N 3.524 123.694 120.200 -0.049 0.000 2.259 219 E HA 0.101 4.451 4.350 -0.001 0.000 0.281 219 E C -0.035 176.404 176.600 -0.268 0.000 1.037 219 E CA -0.376 55.923 56.400 -0.168 0.000 0.854 219 E CB 0.680 30.298 29.700 -0.135 0.000 1.051 219 E HN 0.574 nan 8.360 nan 0.000 0.409 220 Q N 3.571 123.205 119.800 -0.277 0.000 2.417 220 Q HA -0.167 4.172 4.340 -0.001 0.000 0.368 220 Q C -2.171 173.635 176.000 -0.325 0.000 1.359 220 Q CA 0.403 56.040 55.803 -0.276 0.000 1.122 220 Q CB -0.320 28.299 28.738 -0.200 0.000 1.295 220 Q HN 0.484 nan 8.270 nan 0.000 0.337 221 P HA 0.012 nan 4.420 nan 0.000 0.231 221 P C -0.345 176.868 177.300 -0.146 0.000 1.168 221 P CA 0.707 63.553 63.100 -0.422 0.000 0.779 221 P CB 0.432 31.529 31.700 -1.005 0.000 0.844 222 L N -0.858 120.246 121.223 -0.199 0.000 2.341 222 L HA 0.529 4.869 4.340 -0.001 0.000 0.267 222 L C -2.467 174.298 176.870 -0.174 0.000 1.009 222 L CA -2.622 52.131 54.840 -0.145 0.000 0.819 222 L CB 1.412 43.382 42.059 -0.147 0.000 1.323 222 L HN -0.352 nan 8.230 nan 0.000 0.425 223 P HA 0.079 nan 4.420 nan 0.000 0.268 223 P C 0.177 177.316 177.300 -0.267 0.000 1.208 223 P CA -0.222 62.779 63.100 -0.166 0.000 0.777 223 P CB 0.564 32.197 31.700 -0.113 0.000 0.875 224 R N 3.091 123.412 120.500 -0.298 0.000 2.103 224 R HA -0.198 4.141 4.340 -0.001 0.000 0.242 224 R C 1.462 177.370 176.300 -0.653 0.000 1.142 224 R CA 1.749 57.548 56.100 -0.500 0.000 0.960 224 R CB -0.281 29.842 30.300 -0.295 0.000 0.858 224 R HN 0.506 nan 8.270 nan 0.000 0.439 225 E N 0.188 120.230 120.200 -0.263 0.000 2.338 225 E HA -0.143 4.206 4.350 -0.001 0.000 0.197 225 E C -0.038 176.549 176.600 -0.021 0.000 1.007 225 E CA 0.573 56.942 56.400 -0.052 0.000 0.849 225 E CB -0.321 29.395 29.700 0.027 0.000 0.774 225 E HN 0.221 nan 8.360 nan 0.000 0.506 226 D N -0.126 120.189 120.400 -0.143 0.000 2.563 226 D HA 0.088 4.728 4.640 -0.001 0.000 0.222 226 D C -0.053 176.190 176.300 -0.095 0.000 1.145 226 D CA -0.432 53.533 54.000 -0.059 0.000 1.001 226 D CB -0.465 40.302 40.800 -0.056 0.000 1.049 226 D HN 0.070 nan 8.370 nan 0.000 0.515 227 W N 1.941 123.240 121.300 -0.001 0.000 2.418 227 W HA -0.013 4.647 4.660 -0.001 0.000 0.292 227 W C 2.333 178.852 176.519 -0.001 0.000 1.213 227 W CA 0.784 58.129 57.345 -0.000 0.000 1.283 227 W CB -0.125 29.339 29.460 0.006 0.000 1.119 227 W HN 0.420 nan 8.180 nan 0.000 0.542 228 A N 0.318 123.273 122.820 0.225 0.000 1.969 228 A HA 0.006 4.325 4.320 -0.001 0.000 0.218 228 A C 2.227 179.858 177.584 0.079 0.000 1.169 228 A CA 1.785 53.900 52.037 0.131 0.000 0.635 228 A CB -1.381 17.680 19.000 0.101 0.000 0.810 228 A HN 0.299 nan 8.150 nan 0.000 0.445 229 G N -0.967 107.864 108.800 0.052 0.000 2.402 229 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.216 229 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.216 229 G C 1.533 176.433 174.900 0.000 0.000 1.162 229 G CA 1.077 46.188 45.100 0.019 0.000 0.777 229 G HN 0.311 nan 8.290 nan 0.000 0.539 230 M N 1.163 120.748 119.600 -0.025 0.000 2.159 230 M HA -0.017 4.462 4.480 -0.001 0.000 0.263 230 M C 2.992 179.296 176.300 0.007 0.000 1.063 230 M CA 1.378 56.650 55.300 -0.048 0.000 1.110 230 M CB -0.952 31.585 32.600 -0.105 0.000 1.374 230 M HN 0.341 nan 8.290 nan 0.000 0.411 231 A N -0.591 122.259 122.820 0.050 0.000 1.902 231 A HA -0.230 4.090 4.320 -0.001 0.000 0.217 231 A C 2.082 179.694 177.584 0.047 0.000 1.181 231 A CA 1.850 53.924 52.037 0.062 0.000 0.623 231 A CB -0.774 18.276 19.000 0.083 0.000 0.818 231 A HN 0.603 nan 8.150 nan 0.000 0.443 232 Q N -0.432 119.394 119.800 0.043 0.000 2.119 232 Q HA -0.096 4.243 4.340 -0.001 0.000 0.201 232 Q C 1.895 177.922 176.000 0.045 0.000 0.972 232 Q CA 1.651 57.478 55.803 0.040 0.000 0.847 232 Q CB -0.123 28.638 28.738 0.039 0.000 0.903 232 Q HN 0.424 nan 8.270 nan 0.000 0.433 233 V N 0.138 120.078 119.914 0.043 0.000 2.379 233 V HA -0.216 3.904 4.120 -0.001 0.000 0.245 233 V C 2.174 178.319 176.094 0.085 0.000 1.044 233 V CA 2.057 64.397 62.300 0.066 0.000 1.036 233 V CB -0.727 31.119 31.823 0.039 0.000 0.664 233 V HN 0.446 nan 8.190 nan 0.000 0.453 234 T N 0.693 115.283 114.554 0.060 0.000 2.720 234 T HA -0.184 4.166 4.350 -0.001 0.000 0.268 234 T C 2.009 176.745 174.700 0.061 0.000 1.037 234 T CA 1.758 63.898 62.100 0.066 0.000 1.144 234 T CB -0.396 68.500 68.868 0.047 0.000 0.864 234 T HN 0.563 nan 8.240 nan 0.000 0.444 235 A N 0.695 123.542 122.820 0.046 0.000 1.968 235 A HA -0.013 4.306 4.320 -0.001 0.000 0.217 235 A C 2.163 179.760 177.584 0.021 0.000 1.169 235 A CA 1.077 53.132 52.037 0.031 0.000 0.638 235 A CB -0.300 18.716 19.000 0.026 0.000 0.812 235 A HN 0.524 nan 8.150 nan 0.000 0.446 236 Q N -0.664 119.155 119.800 0.031 0.000 2.392 236 Q HA -0.012 4.327 4.340 -0.001 0.000 0.219 236 Q C 2.173 178.178 176.000 0.008 0.000 0.895 236 Q CA 0.791 56.605 55.803 0.018 0.000 0.929 236 Q CB 0.231 28.986 28.738 0.028 0.000 1.077 236 Q HN 0.775 nan 8.270 nan 0.000 0.532 237 S N -0.374 115.357 115.700 0.052 0.000 2.423 237 S HA -0.026 4.443 4.470 -0.001 0.000 0.231 237 S C 1.704 176.182 174.600 -0.204 0.000 1.014 237 S CA 0.822 59.071 58.200 0.083 0.000 0.965 237 S CB -0.309 63.094 63.200 0.339 0.000 0.785 237 S HN 0.501 nan 8.310 nan 0.000 0.495 238 G N 0.280 108.959 108.800 -0.201 0.000 2.148 238 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.254 238 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.254 238 G C -0.093 174.511 174.900 -0.494 0.000 0.981 238 G CA 0.380 45.264 45.100 -0.360 0.000 0.670 238 G HN 0.560 nan 8.290 nan 0.000 0.528 239 F N 0.465 120.431 119.950 0.027 0.000 2.546 239 F HA 0.731 5.258 4.527 -0.001 0.000 0.320 239 F C 0.694 176.534 175.800 0.066 0.000 1.076 239 F CA -0.742 57.283 58.000 0.041 0.000 0.928 239 F CB 1.905 40.927 39.000 0.037 0.000 1.189 239 F HN 0.257 nan 8.300 nan 0.000 0.465 240 A N 1.996 124.983 122.820 0.279 0.000 2.488 240 A HA 0.505 4.824 4.320 -0.001 0.000 0.249 240 A C -0.633 177.051 177.584 0.167 0.000 1.083 240 A CA -0.221 51.932 52.037 0.194 0.000 0.768 240 A CB -0.002 19.127 19.000 0.215 0.000 1.017 240 A HN 0.541 nan 8.150 nan 0.000 0.496 241 V N 2.505 122.485 119.914 0.110 0.000 2.448 241 V HA 0.586 4.705 4.120 -0.001 0.000 0.295 241 V C 0.595 176.679 176.094 -0.017 0.000 1.025 241 V CA -0.235 62.099 62.300 0.057 0.000 0.859 241 V CB 1.302 33.157 31.823 0.052 0.000 0.988 241 V HN 1.159 nan 8.190 nan 0.000 0.431 242 A N 4.005 126.778 122.820 -0.080 0.000 2.310 242 A HA 0.874 5.194 4.320 -0.001 0.000 0.299 242 A C 0.273 177.794 177.584 -0.106 0.000 1.147 242 A CA -0.203 51.772 52.037 -0.103 0.000 0.818 242 A CB 0.963 19.864 19.000 -0.166 0.000 1.096 242 A HN 1.269 nan 8.150 nan 0.000 0.495 243 A N 1.548 124.323 122.820 -0.074 0.000 2.290 243 A HA 0.572 4.892 4.320 -0.001 0.000 0.310 243 A C 0.191 177.732 177.584 -0.072 0.000 1.202 243 A CA -0.083 51.906 52.037 -0.081 0.000 0.837 243 A CB 0.727 19.703 19.000 -0.040 0.000 1.139 243 A HN 0.898 nan 8.150 nan 0.000 0.509 244 D N 0.813 121.155 120.400 -0.096 0.000 3.137 244 D HA 0.059 4.699 4.640 -0.001 0.000 0.236 244 D C 1.311 177.567 176.300 -0.073 0.000 1.557 244 D CA 0.480 54.433 54.000 -0.078 0.000 1.305 244 D CB 0.069 40.810 40.800 -0.098 0.000 1.065 244 D HN 0.425 nan 8.370 nan 0.000 0.290 245 E N -0.053 120.084 120.200 -0.105 0.000 2.204 245 E HA 0.029 4.379 4.350 -0.001 0.000 0.194 245 E C 1.901 178.430 176.600 -0.118 0.000 0.989 245 E CA 0.711 57.051 56.400 -0.100 0.000 0.824 245 E CB -0.038 29.588 29.700 -0.123 0.000 0.756 245 E HN 0.063 nan 8.360 nan 0.000 0.477 246 S N -0.332 115.257 115.700 -0.186 0.000 2.489 246 S HA 0.094 4.563 4.470 -0.001 0.000 0.228 246 S C 0.845 175.451 174.600 0.011 0.000 0.995 246 S CA 0.603 58.646 58.200 -0.262 0.000 0.934 246 S CB 0.293 63.244 63.200 -0.415 0.000 0.771 246 S HN 0.269 nan 8.310 nan 0.000 0.522 247 A N 2.188 125.019 122.820 0.019 0.000 2.923 247 A HA 0.427 4.747 4.320 -0.001 0.000 0.343 247 A C 0.764 178.390 177.584 0.070 0.000 1.199 247 A CA -0.760 51.323 52.037 0.076 0.000 0.878 247 A CB 0.076 19.106 19.000 0.049 0.000 1.104 247 A HN 0.443 nan 8.150 nan 0.000 0.483 248 R N 0.163 120.721 120.500 0.098 0.000 2.600 248 R HA 0.286 4.625 4.340 -0.001 0.000 0.392 248 R C -0.262 176.100 176.300 0.105 0.000 1.032 248 R CA 0.496 56.644 56.100 0.080 0.000 1.139 248 R CB -0.102 30.231 30.300 0.055 0.000 1.400 248 R HN 0.531 nan 8.270 nan 0.000 0.566 249 S N -1.499 114.281 115.700 0.134 0.000 2.671 249 S HA 0.640 5.110 4.470 -0.001 0.000 0.277 249 S C 0.663 175.348 174.600 0.141 0.000 1.165 249 S CA -0.435 57.853 58.200 0.146 0.000 0.822 249 S CB 1.660 64.965 63.200 0.175 0.000 1.150 249 S HN 0.039 nan 8.310 nan 0.000 0.479 250 A N 0.266 123.166 122.820 0.134 0.000 1.930 250 A HA -0.025 4.294 4.320 -0.001 0.000 0.217 250 A C 1.893 179.542 177.584 0.108 0.000 1.175 250 A CA 2.038 54.139 52.037 0.106 0.000 0.627 250 A CB -1.571 17.484 19.000 0.093 0.000 0.815 250 A HN 1.050 nan 8.150 nan 0.000 0.443 251 H N -0.119 118.980 119.070 0.049 0.000 2.352 251 H HA -0.146 4.410 4.556 -0.001 0.000 0.299 251 H C 1.585 176.933 175.328 0.033 0.000 1.097 251 H CA 1.999 58.064 56.048 0.029 0.000 1.311 251 H CB 0.031 29.807 29.762 0.023 0.000 1.377 251 H HN 0.393 nan 8.280 nan 0.000 0.504 252 D N -0.465 120.080 120.400 0.243 0.000 2.097 252 D HA -0.140 4.499 4.640 -0.001 0.000 0.195 252 D C 2.362 178.758 176.300 0.162 0.000 0.989 252 D CA 1.437 55.583 54.000 0.244 0.000 0.827 252 D CB -0.322 40.648 40.800 0.283 0.000 0.966 252 D HN 0.273 nan 8.370 nan 0.000 0.456 253 V N 0.958 120.938 119.914 0.109 0.000 2.490 253 V HA -0.188 3.932 4.120 -0.001 0.000 0.250 253 V C 2.604 178.713 176.094 0.025 0.000 1.061 253 V CA 0.920 63.262 62.300 0.070 0.000 1.064 253 V CB -0.459 31.395 31.823 0.052 0.000 0.670 253 V HN 0.194 nan 8.190 nan 0.000 0.461 254 L N -0.263 120.947 121.223 -0.021 0.000 2.017 254 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 254 L C 2.778 179.595 176.870 -0.087 0.000 1.073 254 L CA 2.011 56.804 54.840 -0.078 0.000 0.745 254 L CB -0.563 41.399 42.059 -0.162 0.000 0.894 254 L HN 0.240 nan 8.230 nan 0.000 0.432 255 R N 0.553 120.985 120.500 -0.112 0.000 2.091 255 R HA -0.180 4.160 4.340 -0.001 0.000 0.238 255 R C 2.296 178.595 176.300 -0.002 0.000 1.136 255 R CA 1.580 57.607 56.100 -0.122 0.000 0.959 255 R CB -0.272 29.876 30.300 -0.252 0.000 0.856 255 R HN 0.271 nan 8.270 nan 0.000 0.437 256 I N 0.606 121.232 120.570 0.094 0.000 2.226 256 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 256 I C 2.548 178.703 176.117 0.064 0.000 1.100 256 I CA 1.407 62.787 61.300 0.133 0.000 1.374 256 I CB -0.361 37.726 38.000 0.146 0.000 1.057 256 I HN 0.306 nan 8.210 nan 0.000 0.413 257 A N 1.186 124.024 122.820 0.030 0.000 1.933 257 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 257 A C 2.429 180.013 177.584 0.001 0.000 1.175 257 A CA 1.923 53.966 52.037 0.010 0.000 0.628 257 A CB -0.643 18.355 19.000 -0.004 0.000 0.814 257 A HN 0.517 nan 8.150 nan 0.000 0.444 258 R N -0.368 120.123 120.500 -0.014 0.000 2.119 258 R HA 0.007 4.347 4.340 -0.001 0.000 0.222 258 R C 1.326 177.619 176.300 -0.010 0.000 1.088 258 R CA 1.639 57.724 56.100 -0.025 0.000 0.984 258 R CB -0.230 30.038 30.300 -0.054 0.000 0.884 258 R HN 0.550 nan 8.270 nan 0.000 0.447 259 E N -0.496 119.708 120.200 0.008 0.000 2.431 259 E HA 0.134 4.484 4.350 -0.001 0.000 0.200 259 E C 0.376 177.004 176.600 0.047 0.000 0.995 259 E CA 0.337 56.753 56.400 0.027 0.000 0.915 259 E CB 0.924 30.651 29.700 0.044 0.000 0.930 259 E HN 0.593 nan 8.360 nan 0.000 0.496 260 G N 2.026 110.856 108.800 0.050 0.000 2.182 260 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.248 260 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.248 260 G C 0.845 175.786 174.900 0.068 0.000 1.042 260 G CA 0.661 45.791 45.100 0.050 0.000 0.775 260 G HN 0.243 nan 8.290 nan 0.000 0.501 261 T N -0.644 113.972 114.554 0.103 0.000 2.833 261 T HA 0.342 4.692 4.350 -0.001 0.000 0.269 261 T C 1.327 176.061 174.700 0.057 0.000 1.054 261 T CA 2.340 64.514 62.100 0.123 0.000 1.135 261 T CB 0.034 69.051 68.868 0.249 0.000 0.869 261 T HN 1.852 nan 8.240 nan 0.000 0.466 262 A N 0.176 123.026 122.820 0.051 0.000 2.581 262 A HA 0.653 4.972 4.320 -0.001 0.000 0.290 262 A C 0.699 178.304 177.584 0.035 0.000 1.119 262 A CA -0.020 52.032 52.037 0.026 0.000 0.670 262 A CB 0.681 19.682 19.000 0.002 0.000 1.280 262 A HN 0.116 nan 8.150 nan 0.000 0.425 263 S N -1.251 114.471 115.700 0.037 0.000 2.578 263 S HA 0.458 4.927 4.470 -0.001 0.000 0.228 263 S C -0.042 174.586 174.600 0.047 0.000 1.022 263 S CA 0.373 58.599 58.200 0.044 0.000 0.967 263 S CB 0.083 63.318 63.200 0.058 0.000 0.914 263 S HN 1.058 nan 8.310 nan 0.000 0.515 264 V N 2.789 122.724 119.914 0.036 0.000 2.789 264 V HA 0.539 4.659 4.120 -0.001 0.000 0.311 264 V C -1.139 174.958 176.094 0.005 0.000 1.073 264 V CA -0.901 61.421 62.300 0.037 0.000 0.921 264 V CB 1.955 33.808 31.823 0.050 0.000 1.009 264 V HN 0.346 nan 8.190 nan 0.000 0.426 265 I N 3.397 123.971 120.570 0.006 0.000 2.362 265 I HA 0.361 4.531 4.170 -0.001 0.000 0.289 265 I C -0.023 176.108 176.117 0.022 0.000 0.994 265 I CA -0.556 60.747 61.300 0.004 0.000 1.158 265 I CB 1.483 39.485 38.000 0.003 0.000 1.315 265 I HN 0.579 nan 8.210 nan 0.000 0.451 266 N N 6.696 125.404 118.700 0.013 0.000 2.439 266 N HA 0.235 4.975 4.740 -0.001 0.000 0.243 266 N C -0.618 174.928 175.510 0.061 0.000 1.088 266 N CA -0.274 52.798 53.050 0.037 0.000 0.940 266 N CB 0.168 38.647 38.487 -0.014 0.000 1.180 266 N HN 0.382 nan 8.380 nan 0.000 0.505 267 I N 3.296 123.943 120.570 0.128 0.000 2.421 267 I HA 0.063 4.232 4.170 -0.001 0.000 0.291 267 I C 0.558 176.729 176.117 0.090 0.000 1.089 267 I CA 0.227 61.605 61.300 0.130 0.000 1.354 267 I CB 0.335 38.466 38.000 0.218 0.000 1.413 267 I HN 0.187 nan 8.210 nan 0.000 0.513 268 K N 6.658 127.087 120.400 0.049 0.000 2.367 268 K HA 0.365 4.684 4.320 -0.001 0.000 0.263 268 K C 0.720 177.337 176.600 0.028 0.000 1.000 268 K CA -0.513 55.788 56.287 0.023 0.000 0.891 268 K CB 1.506 34.002 32.500 -0.007 0.000 1.117 268 K HN 0.548 nan 8.250 nan 0.000 0.443 269 L N 2.188 123.431 121.223 0.033 0.000 2.191 269 L HA -0.167 4.173 4.340 -0.001 0.000 0.212 269 L C 2.068 178.940 176.870 0.003 0.000 1.103 269 L CA 0.982 55.843 54.840 0.035 0.000 0.769 269 L CB -0.174 41.917 42.059 0.053 0.000 0.908 269 L HN 0.711 nan 8.230 nan 0.000 0.438 270 M N -0.697 118.896 119.600 -0.011 0.000 2.374 270 M HA -0.125 4.354 4.480 -0.001 0.000 0.264 270 M C 1.963 178.250 176.300 -0.021 0.000 1.067 270 M CA 1.535 56.821 55.300 -0.024 0.000 1.103 270 M CB -0.188 32.399 32.600 -0.022 0.000 1.402 270 M HN -0.114 nan 8.290 nan 0.000 0.444 271 K N -1.289 119.103 120.400 -0.013 0.000 2.262 271 K HA 0.270 4.589 4.320 -0.001 0.000 0.200 271 K C 1.240 177.825 176.600 -0.024 0.000 1.049 271 K CA 1.180 57.456 56.287 -0.017 0.000 0.979 271 K CB 0.232 32.727 32.500 -0.008 0.000 0.773 271 K HN 0.326 nan 8.250 nan 0.000 0.474 272 A N -0.370 122.446 122.820 -0.007 0.000 2.498 272 A HA 0.462 4.781 4.320 -0.001 0.000 0.238 272 A C 0.575 178.164 177.584 0.008 0.000 1.225 272 A CA 0.664 52.702 52.037 0.002 0.000 0.978 272 A CB 0.571 19.598 19.000 0.045 0.000 1.142 272 A HN 0.254 nan 8.150 nan 0.000 0.552 273 G N -1.459 107.345 108.800 0.006 0.000 2.710 273 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.668 273 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.668 273 G C 0.531 175.471 174.900 0.068 0.000 1.320 273 G CA -0.337 44.776 45.100 0.022 0.000 0.860 273 G HN 0.743 nan 8.290 nan 0.000 0.538 274 V N 0.513 120.489 119.914 0.103 0.000 2.446 274 V HA 0.180 4.299 4.120 -0.001 0.000 0.244 274 V C 3.233 179.474 176.094 0.246 0.000 1.039 274 V CA 2.944 65.357 62.300 0.190 0.000 1.045 274 V CB -0.954 31.026 31.823 0.262 0.000 0.681 274 V HN 1.719 nan 8.190 nan 0.000 0.459 275 A N 0.197 123.175 122.820 0.263 0.000 1.930 275 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 275 A C 2.165 179.860 177.584 0.186 0.000 1.175 275 A CA 1.919 54.127 52.037 0.284 0.000 0.627 275 A CB -0.411 18.743 19.000 0.256 0.000 0.815 275 A HN 0.535 nan 8.150 nan 0.000 0.443 276 E N 0.016 120.300 120.200 0.140 0.000 2.106 276 E HA -0.025 4.324 4.350 -0.001 0.000 0.192 276 E C 1.972 178.639 176.600 0.113 0.000 0.984 276 E CA 1.333 57.802 56.400 0.115 0.000 0.806 276 E CB -0.666 29.095 29.700 0.101 0.000 0.750 276 E HN 0.414 nan 8.360 nan 0.000 0.458 277 G N 0.728 109.598 108.800 0.117 0.000 2.446 277 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.217 277 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.217 277 G C 1.554 176.520 174.900 0.111 0.000 1.168 277 G CA 1.008 46.174 45.100 0.110 0.000 0.771 277 G HN 0.305 nan 8.290 nan 0.000 0.551 278 L N -0.165 121.137 121.223 0.133 0.000 2.131 278 L HA -0.069 4.270 4.340 -0.001 0.000 0.210 278 L C 2.950 179.887 176.870 0.111 0.000 1.092 278 L CA 1.326 56.245 54.840 0.132 0.000 0.759 278 L CB -0.199 41.989 42.059 0.215 0.000 0.903 278 L HN 0.182 nan 8.230 nan 0.000 0.435 279 K N -0.530 119.935 120.400 0.108 0.000 2.062 279 K HA -0.101 4.219 4.320 -0.001 0.000 0.205 279 K C 2.131 178.770 176.600 0.064 0.000 1.051 279 K CA 1.286 57.623 56.287 0.082 0.000 0.941 279 K CB -0.133 32.416 32.500 0.082 0.000 0.719 279 K HN 0.194 nan 8.250 nan 0.000 0.440 280 M N 0.434 120.076 119.600 0.070 0.000 2.108 280 M HA -0.180 4.299 4.480 -0.001 0.000 0.261 280 M C 2.093 178.412 176.300 0.030 0.000 1.066 280 M CA 1.607 56.941 55.300 0.056 0.000 1.107 280 M CB -0.365 32.277 32.600 0.069 0.000 1.356 280 M HN 0.114 nan 8.290 nan 0.000 0.406 281 I N 0.002 120.594 120.570 0.037 0.000 2.179 281 I HA -0.249 3.920 4.170 -0.001 0.000 0.242 281 I C 2.714 178.821 176.117 -0.016 0.000 1.088 281 I CA 1.279 62.577 61.300 -0.003 0.000 1.357 281 I CB -0.541 37.490 38.000 0.051 0.000 1.051 281 I HN 0.256 nan 8.210 nan 0.000 0.409 282 A N 0.833 123.664 122.820 0.017 0.000 1.933 282 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 282 A C 2.273 179.858 177.584 0.002 0.000 1.175 282 A CA 1.481 53.526 52.037 0.014 0.000 0.628 282 A CB -0.795 18.225 19.000 0.033 0.000 0.814 282 A HN 0.394 nan 8.150 nan 0.000 0.444 283 I N -0.361 120.213 120.570 0.006 0.000 2.202 283 I HA -0.241 3.928 4.170 -0.001 0.000 0.242 283 I C 2.985 179.095 176.117 -0.012 0.000 1.091 283 I CA 0.960 62.260 61.300 -0.001 0.000 1.368 283 I CB -0.379 37.625 38.000 0.006 0.000 1.058 283 I HN 0.342 nan 8.210 nan 0.000 0.410 284 A N 0.378 123.185 122.820 -0.021 0.000 1.865 284 A HA -0.281 4.038 4.320 -0.001 0.000 0.217 284 A C 2.272 179.828 177.584 -0.048 0.000 1.191 284 A CA 1.748 53.761 52.037 -0.039 0.000 0.623 284 A CB -0.784 18.176 19.000 -0.067 0.000 0.826 284 A HN 0.475 nan 8.150 nan 0.000 0.444 285 Q N -0.859 118.905 119.800 -0.060 0.000 2.181 285 Q HA -0.133 4.207 4.340 -0.001 0.000 0.205 285 Q C 2.352 178.334 176.000 -0.030 0.000 0.980 285 Q CA 1.289 57.060 55.803 -0.054 0.000 0.862 285 Q CB -0.361 28.346 28.738 -0.052 0.000 0.905 285 Q HN 0.714 nan 8.270 nan 0.000 0.429 286 A N 0.876 123.683 122.820 -0.021 0.000 1.929 286 A HA 0.037 4.357 4.320 -0.001 0.000 0.216 286 A C 2.149 179.725 177.584 -0.014 0.000 1.176 286 A CA 1.293 53.322 52.037 -0.014 0.000 0.628 286 A CB -0.367 18.627 19.000 -0.010 0.000 0.816 286 A HN 0.348 nan 8.150 nan 0.000 0.444 287 A N -1.609 121.202 122.820 -0.015 0.000 2.238 287 A HA 0.410 4.730 4.320 -0.001 0.000 0.208 287 A C 1.722 179.299 177.584 -0.011 0.000 1.177 287 A CA 1.143 53.173 52.037 -0.012 0.000 0.804 287 A CB -0.962 18.033 19.000 -0.009 0.000 0.823 287 A HN 1.861 nan 8.150 nan 0.000 0.482 288 G N -0.933 107.857 108.800 -0.016 0.000 2.176 288 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.252 288 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.252 288 G C 0.016 174.910 174.900 -0.011 0.000 1.024 288 G CA 0.428 45.520 45.100 -0.015 0.000 0.755 288 G HN 0.448 nan 8.290 nan 0.000 0.507 289 L N 0.321 121.534 121.223 -0.017 0.000 2.375 289 L HA 0.637 4.977 4.340 -0.001 0.000 0.271 289 L C 1.454 178.310 176.870 -0.024 0.000 1.107 289 L CA -0.394 54.441 54.840 -0.010 0.000 0.806 289 L CB 1.112 43.166 42.059 -0.008 0.000 1.146 289 L HN 0.210 nan 8.230 nan 0.000 0.447 290 G N 2.190 110.996 108.800 0.010 0.000 2.527 290 G HA2 0.473 4.432 3.960 -0.001 0.000 0.248 290 G HA3 0.473 4.432 3.960 -0.001 0.000 0.248 290 G C -0.695 174.196 174.900 -0.015 0.000 1.231 290 G CA -0.503 44.614 45.100 0.028 0.000 0.838 290 G HN 0.406 nan 8.290 nan 0.000 0.570 291 L N 1.236 122.417 121.223 -0.070 0.000 2.333 291 L HA 0.519 4.858 4.340 -0.001 0.000 0.280 291 L C -0.005 176.921 176.870 0.093 0.000 1.004 291 L CA -0.546 54.154 54.840 -0.233 0.000 0.820 291 L CB 2.045 43.563 42.059 -0.903 0.000 1.247 291 L HN 0.524 nan 8.230 nan 0.000 0.416 292 M N 4.272 124.004 119.600 0.219 0.000 2.311 292 M HA 0.527 5.007 4.480 -0.001 0.000 0.325 292 M C -1.422 175.145 176.300 0.446 0.000 1.061 292 M CA -0.611 54.916 55.300 0.379 0.000 0.957 292 M CB 2.128 34.842 32.600 0.189 0.000 1.646 292 M HN 0.527 nan 8.290 nan 0.000 0.434 293 I N 4.797 125.617 120.570 0.416 0.000 2.315 293 I HA 0.739 4.908 4.170 -0.001 0.000 0.291 293 I C -0.036 176.114 176.117 0.056 0.000 1.006 293 I CA 0.345 61.728 61.300 0.137 0.000 1.265 293 I CB 1.049 38.881 38.000 -0.280 0.000 1.387 293 I HN 0.792 nan 8.210 nan 0.000 0.475 294 G N 3.995 112.818 108.800 0.037 0.000 3.251 294 G HA2 0.883 4.843 3.960 -0.001 0.000 0.248 294 G HA3 0.883 4.843 3.960 -0.001 0.000 0.248 294 G C -0.768 174.122 174.900 -0.016 0.000 1.320 294 G CA -0.434 44.666 45.100 -0.001 0.000 0.982 294 G HN 0.932 nan 8.290 nan 0.000 0.575 295 G N -1.860 106.916 108.800 -0.040 0.000 2.550 295 G HA2 0.493 4.452 3.960 -0.001 0.000 0.293 295 G HA3 0.493 4.452 3.960 -0.001 0.000 0.293 295 G C -0.521 174.330 174.900 -0.081 0.000 1.402 295 G CA -0.658 44.415 45.100 -0.045 0.000 0.784 295 G HN 0.459 nan 8.290 nan 0.000 0.482 296 M N -0.530 119.026 119.600 -0.073 0.000 2.252 296 M HA 0.380 4.859 4.480 -0.001 0.000 0.208 296 M C 0.772 177.018 176.300 -0.090 0.000 1.006 296 M CA -0.605 54.634 55.300 -0.102 0.000 1.596 296 M CB 0.069 32.642 32.600 -0.045 0.000 1.113 296 M HN 0.176 nan 8.290 nan 0.000 0.799 297 V N 1.668 121.559 119.914 -0.039 0.000 2.287 297 V HA 0.135 4.255 4.120 -0.001 0.000 0.246 297 V C -0.158 175.948 176.094 0.019 0.000 1.165 297 V CA -0.076 62.219 62.300 -0.008 0.000 1.088 297 V CB -1.486 30.391 31.823 0.090 0.000 1.242 297 V HN 0.559 nan 8.190 nan 0.000 0.497 298 E N 2.187 122.382 120.200 -0.009 0.000 2.256 298 E HA 0.573 4.922 4.350 -0.001 0.000 0.267 298 E C -0.038 176.556 176.600 -0.010 0.000 0.892 298 E CA -0.576 55.819 56.400 -0.008 0.000 0.775 298 E CB 2.156 31.840 29.700 -0.026 0.000 1.207 298 E HN 0.638 nan 8.360 nan 0.000 0.420 299 S N 1.355 117.039 115.700 -0.026 0.000 2.652 299 S HA 0.201 4.671 4.470 -0.001 0.000 0.267 299 S C 1.149 175.633 174.600 -0.194 0.000 1.201 299 S CA -0.593 57.568 58.200 -0.065 0.000 0.996 299 S CB 0.494 63.712 63.200 0.030 0.000 1.054 299 S HN 0.717 nan 8.310 nan 0.000 0.561 300 I N 0.196 120.567 120.570 -0.332 0.000 2.700 300 I HA -0.101 4.069 4.170 -0.001 0.000 0.261 300 I C 1.866 177.652 176.117 -0.551 0.000 1.219 300 I CA 0.760 61.773 61.300 -0.479 0.000 1.463 300 I CB -0.257 37.384 38.000 -0.599 0.000 1.092 300 I HN 0.672 nan 8.210 nan 0.000 0.452 301 L N 1.297 122.110 121.223 -0.682 0.000 1.973 301 L HA -0.083 4.257 4.340 -0.001 0.000 0.208 301 L C 2.513 179.140 176.870 -0.405 0.000 1.073 301 L CA 2.435 56.834 54.840 -0.736 0.000 0.746 301 L CB -1.148 40.324 42.059 -0.980 0.000 0.891 301 L HN 0.180 nan 8.230 nan 0.000 0.433 302 A N -0.881 121.782 122.820 -0.262 0.000 2.015 302 A HA -0.139 4.181 4.320 -0.001 0.000 0.219 302 A C 2.191 179.775 177.584 -0.001 0.000 1.163 302 A CA 1.738 53.705 52.037 -0.117 0.000 0.646 302 A CB -0.531 18.408 19.000 -0.102 0.000 0.806 302 A HN 0.558 nan 8.150 nan 0.000 0.448 303 M N -0.350 119.243 119.600 -0.013 0.000 2.200 303 M HA -0.062 4.418 4.480 -0.001 0.000 0.265 303 M C 2.108 178.585 176.300 0.295 0.000 1.066 303 M CA 1.423 56.805 55.300 0.136 0.000 1.127 303 M CB -0.852 31.862 32.600 0.189 0.000 1.379 303 M HN 0.410 nan 8.290 nan 0.000 0.420 304 S N 0.237 116.015 115.700 0.129 0.000 2.428 304 S HA -0.069 4.401 4.470 -0.001 0.000 0.230 304 S C 1.585 176.312 174.600 0.210 0.000 1.014 304 S CA 0.653 58.965 58.200 0.187 0.000 0.957 304 S CB -0.394 62.735 63.200 -0.119 0.000 0.784 304 S HN 0.352 nan 8.310 nan 0.000 0.499 305 F N 2.638 122.613 119.950 0.042 0.000 2.146 305 F HA -0.087 4.439 4.527 -0.001 0.000 0.298 305 F C 2.423 178.274 175.800 0.085 0.000 1.096 305 F CA 1.115 59.182 58.000 0.112 0.000 1.275 305 F CB -0.419 38.630 39.000 0.082 0.000 1.008 305 F HN 0.074 nan 8.300 nan 0.000 0.480 306 S N 0.240 116.094 115.700 0.257 0.000 2.382 306 S HA -0.155 4.314 4.470 -0.001 0.000 0.228 306 S C 2.257 176.815 174.600 -0.070 0.000 1.027 306 S CA 0.997 59.238 58.200 0.069 0.000 0.991 306 S CB -0.754 62.470 63.200 0.041 0.000 0.823 306 S HN 0.487 nan 8.310 nan 0.000 0.469 307 A N 2.112 124.941 122.820 0.015 0.000 1.969 307 A HA -0.072 4.248 4.320 -0.001 0.000 0.218 307 A C 1.908 179.482 177.584 -0.016 0.000 1.169 307 A CA 1.105 53.120 52.037 -0.037 0.000 0.635 307 A CB -0.549 18.494 19.000 0.070 0.000 0.810 307 A HN 0.535 nan 8.150 nan 0.000 0.445 308 N N -0.573 118.153 118.700 0.043 0.000 2.216 308 N HA -0.109 4.630 4.740 -0.001 0.000 0.183 308 N C 1.707 177.285 175.510 0.113 0.000 1.017 308 N CA 1.354 54.472 53.050 0.113 0.000 0.861 308 N CB -0.129 38.414 38.487 0.093 0.000 0.986 308 N HN 0.439 nan 8.380 nan 0.000 0.428 309 L N 1.466 122.618 121.223 -0.117 0.000 2.023 309 L HA 0.030 4.370 4.340 -0.001 0.000 0.205 309 L C 2.276 178.981 176.870 -0.275 0.000 1.073 309 L CA 1.471 56.059 54.840 -0.419 0.000 0.745 309 L CB -0.823 40.828 42.059 -0.680 0.000 0.900 309 L HN -0.002 nan 8.230 nan 0.000 0.435 310 A N -0.227 122.354 122.820 -0.398 0.000 1.877 310 A HA -0.109 4.211 4.320 -0.001 0.000 0.216 310 A C 2.429 179.909 177.584 -0.173 0.000 1.186 310 A CA 2.012 53.685 52.037 -0.606 0.000 0.620 310 A CB -1.285 17.138 19.000 -0.962 0.000 0.822 310 A HN 0.604 nan 8.150 nan 0.000 0.443 311 A N -0.748 122.005 122.820 -0.111 0.000 1.969 311 A HA 0.204 4.524 4.320 -0.001 0.000 0.218 311 A C 2.344 179.959 177.584 0.052 0.000 1.169 311 A CA 1.766 53.786 52.037 -0.027 0.000 0.635 311 A CB -1.173 17.795 19.000 -0.053 0.000 0.810 311 A HN 0.676 nan 8.150 nan 0.000 0.445 312 G N -0.190 108.678 108.800 0.113 0.000 2.394 312 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.214 312 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.214 312 G C 1.576 176.570 174.900 0.158 0.000 1.176 312 G CA 0.977 46.193 45.100 0.193 0.000 0.786 312 G HN 0.568 nan 8.290 nan 0.000 0.533 313 N N 0.900 119.685 118.700 0.142 0.000 2.250 313 N HA 0.094 4.834 4.740 -0.001 0.000 0.181 313 N C 1.277 176.873 175.510 0.144 0.000 1.017 313 N CA 1.362 54.500 53.050 0.146 0.000 0.866 313 N CB 0.130 38.717 38.487 0.166 0.000 0.985 313 N HN 0.446 nan 8.380 nan 0.000 0.429 314 G N -1.486 107.420 108.800 0.177 0.000 2.728 314 G HA2 0.019 3.979 3.960 -0.001 0.000 0.294 314 G HA3 0.019 3.979 3.960 -0.001 0.000 0.294 314 G C 0.489 175.517 174.900 0.214 0.000 1.342 314 G CA -0.147 45.050 45.100 0.162 0.000 0.866 314 G HN 0.940 nan 8.290 nan 0.000 0.534 315 G N -1.942 106.927 108.800 0.116 0.000 2.162 315 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.260 315 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.260 315 G C 0.403 175.262 174.900 -0.069 0.000 0.976 315 G CA 0.958 46.060 45.100 0.004 0.000 0.655 315 G HN 1.524 nan 8.290 nan 0.000 0.533 316 F N 1.042 120.981 119.950 -0.020 0.000 2.420 316 F HA 0.439 4.965 4.527 -0.001 0.000 0.352 316 F C 1.159 176.924 175.800 -0.059 0.000 1.108 316 F CA -0.419 57.573 58.000 -0.012 0.000 1.162 316 F CB 1.164 40.161 39.000 -0.005 0.000 1.118 316 F HN -0.079 nan 8.300 nan 0.000 0.510 317 D N 2.665 123.077 120.400 0.021 0.000 2.389 317 D HA 0.081 4.720 4.640 -0.001 0.000 0.206 317 D C -0.389 175.613 176.300 -0.497 0.000 1.055 317 D CA 0.796 54.645 54.000 -0.252 0.000 0.856 317 D CB 0.393 40.967 40.800 -0.376 0.000 0.957 317 D HN 0.169 nan 8.370 nan 0.000 0.509 318 F N 0.758 120.772 119.950 0.106 0.000 2.556 318 F HA 0.421 4.948 4.527 -0.001 0.000 0.314 318 F C -0.092 175.766 175.800 0.097 0.000 1.106 318 F CA -0.990 57.060 58.000 0.083 0.000 0.911 318 F CB 2.141 41.181 39.000 0.067 0.000 1.190 318 F HN -0.324 nan 8.300 nan 0.000 0.448 319 I N 2.278 122.969 120.570 0.202 0.000 2.411 319 I HA 0.199 4.368 4.170 -0.001 0.000 0.284 319 I C -0.738 175.413 176.117 0.057 0.000 1.012 319 I CA -0.327 61.019 61.300 0.075 0.000 1.119 319 I CB 1.519 39.504 38.000 -0.026 0.000 1.261 319 I HN 0.554 nan 8.210 nan 0.000 0.448 320 D N 7.278 127.701 120.400 0.039 0.000 3.123 320 D HA 0.301 4.941 4.640 -0.001 0.000 0.305 320 D C -0.303 175.987 176.300 -0.017 0.000 1.373 320 D CA -0.050 53.959 54.000 0.015 0.000 0.889 320 D CB 0.069 40.876 40.800 0.012 0.000 1.070 320 D HN 0.403 nan 8.370 nan 0.000 0.494 321 L N 1.753 122.953 121.223 -0.037 0.000 2.589 321 L HA 0.340 4.679 4.340 -0.001 0.000 0.244 321 L C 0.476 177.350 176.870 0.008 0.000 1.159 321 L CA -0.341 54.478 54.840 -0.035 0.000 1.074 321 L CB 0.741 42.738 42.059 -0.103 0.000 1.391 321 L HN 0.048 nan 8.230 nan 0.000 0.423 322 D N -2.768 117.652 120.400 0.034 0.000 2.392 322 D HA -0.113 4.527 4.640 -0.001 0.000 0.206 322 D C 1.844 178.233 176.300 0.148 0.000 1.046 322 D CA 0.678 54.740 54.000 0.103 0.000 0.865 322 D CB 0.125 41.003 40.800 0.129 0.000 0.969 322 D HN 0.341 nan 8.370 nan 0.000 0.509 323 T N -1.833 112.753 114.554 0.053 0.000 2.849 323 T HA -0.074 4.276 4.350 -0.001 0.000 0.270 323 T C -0.758 174.029 174.700 0.144 0.000 1.066 323 T CA 0.728 62.836 62.100 0.014 0.000 1.130 323 T CB -1.453 67.366 68.868 -0.081 0.000 0.864 323 T HN 0.068 nan 8.240 nan 0.000 0.481 324 P HA 0.074 nan 4.420 nan 0.000 0.219 324 P C 1.320 178.722 177.300 0.169 0.000 1.146 324 P CA 0.710 63.872 63.100 0.103 0.000 0.808 324 P CB -0.298 31.425 31.700 0.038 0.000 0.779 325 L N -3.399 117.966 121.223 0.237 0.000 2.478 325 L HA -0.009 4.330 4.340 -0.001 0.000 0.223 325 L C 1.624 178.594 176.870 0.167 0.000 1.140 325 L CA 0.739 55.695 54.840 0.193 0.000 0.842 325 L CB -0.682 41.480 42.059 0.172 0.000 0.953 325 L HN -0.094 nan 8.230 nan 0.000 0.452 326 F N -0.065 119.920 119.950 0.059 0.000 2.789 326 F HA 0.172 4.698 4.527 -0.001 0.000 0.300 326 F C 0.976 176.815 175.800 0.064 0.000 1.132 326 F CA -0.048 57.986 58.000 0.057 0.000 1.404 326 F CB 0.058 39.089 39.000 0.052 0.000 1.114 326 F HN -0.121 nan 8.300 nan 0.000 0.584 327 I N -0.492 120.215 120.570 0.229 0.000 2.321 327 I HA 0.294 4.464 4.170 -0.001 0.000 0.291 327 I C 1.159 177.370 176.117 0.156 0.000 0.998 327 I CA -0.513 60.897 61.300 0.183 0.000 1.227 327 I CB 1.527 39.637 38.000 0.183 0.000 1.368 327 I HN -0.036 nan 8.210 nan 0.000 0.466 328 A N 5.573 128.462 122.820 0.114 0.000 1.858 328 A HA -0.099 4.221 4.320 -0.001 0.000 0.216 328 A C 0.625 178.253 177.584 0.072 0.000 1.190 328 A CA 1.457 53.540 52.037 0.077 0.000 0.617 328 A CB -0.307 18.723 19.000 0.049 0.000 0.827 328 A HN 0.830 nan 8.150 nan 0.000 0.443 329 E N -0.765 119.479 120.200 0.073 0.000 2.331 329 E HA 0.571 4.920 4.350 -0.001 0.000 0.275 329 E C -0.728 175.908 176.600 0.060 0.000 0.895 329 E CA -0.854 55.552 56.400 0.010 0.000 0.753 329 E CB 1.102 30.774 29.700 -0.046 0.000 1.216 329 E HN 0.590 nan 8.360 nan 0.000 0.434 330 H N 0.535 119.611 119.070 0.009 0.000 2.821 330 H HA 0.510 5.066 4.556 -0.001 0.000 0.373 330 H C -2.515 172.729 175.328 -0.140 0.000 1.165 330 H CA -2.385 53.657 56.048 -0.011 0.000 1.154 330 H CB 1.710 31.563 29.762 0.152 0.000 1.765 330 H HN 0.458 nan 8.280 nan 0.000 0.549 331 P HA 0.274 nan 4.420 nan 0.000 0.236 331 P C -1.073 175.918 177.300 -0.514 0.000 1.749 331 P CA -0.101 62.728 63.100 -0.452 0.000 0.994 331 P CB -0.652 30.747 31.700 -0.501 0.000 1.599 332 F N 1.118 121.188 119.950 0.201 0.000 2.532 332 F HA 0.528 5.055 4.527 -0.001 0.000 0.321 332 F C 0.782 176.675 175.800 0.154 0.000 1.089 332 F CA -1.526 56.584 58.000 0.183 0.000 0.926 332 F CB 1.853 40.943 39.000 0.151 0.000 1.168 332 F HN -0.218 nan 8.300 nan 0.000 0.459 333 I N 0.169 120.904 120.570 0.276 0.000 2.646 333 I HA 1.042 5.212 4.170 -0.001 0.000 0.299 333 I C 0.138 176.329 176.117 0.124 0.000 1.036 333 I CA -0.542 60.858 61.300 0.167 0.000 1.074 333 I CB 1.709 39.767 38.000 0.098 0.000 1.258 333 I HN 0.824 nan 8.210 nan 0.000 0.430 334 G N 2.640 111.484 108.800 0.075 0.000 2.451 334 G HA2 0.420 4.379 3.960 -0.001 0.000 0.208 334 G HA3 0.420 4.379 3.960 -0.001 0.000 0.208 334 G C 0.184 175.052 174.900 -0.053 0.000 1.248 334 G CA -0.190 44.930 45.100 0.033 0.000 0.989 334 G HN 2.543 nan 8.290 nan 0.000 0.559 335 G N -1.472 107.282 108.800 -0.078 0.000 2.584 335 G HA2 0.416 4.375 3.960 -0.001 0.000 0.229 335 G HA3 0.416 4.375 3.960 -0.001 0.000 0.229 335 G C 0.206 175.028 174.900 -0.129 0.000 1.320 335 G CA 0.627 45.598 45.100 -0.216 0.000 0.891 335 G HN 2.311 nan 8.290 nan 0.000 0.573 336 F N -0.251 119.698 119.950 -0.001 0.000 2.429 336 F HA 0.704 5.231 4.527 -0.001 0.000 0.348 336 F C 0.661 176.467 175.800 0.009 0.000 1.109 336 F CA -1.049 56.951 58.000 -0.000 0.000 1.232 336 F CB 0.864 39.855 39.000 -0.015 0.000 1.157 336 F HN 1.125 nan 8.300 nan 0.000 0.564 337 A N 3.827 126.787 122.820 0.233 0.000 2.506 337 A HA 0.251 4.570 4.320 -0.001 0.000 0.320 337 A C -0.060 177.625 177.584 0.168 0.000 1.424 337 A CA -0.581 51.549 52.037 0.156 0.000 1.044 337 A CB -0.334 18.722 19.000 0.094 0.000 1.140 337 A HN 0.869 nan 8.150 nan 0.000 0.538 338 Q N 2.193 122.117 119.800 0.206 0.000 2.294 338 Q HA 0.337 4.677 4.340 -0.001 0.000 0.257 338 Q C -0.204 175.851 176.000 0.092 0.000 0.955 338 Q CA -0.098 55.801 55.803 0.160 0.000 0.936 338 Q CB 0.575 29.445 28.738 0.220 0.000 1.188 338 Q HN 0.672 nan 8.270 nan 0.000 0.420 339 T N 1.781 116.368 114.554 0.056 0.000 3.042 339 T HA 0.555 4.905 4.350 -0.001 0.000 0.356 339 T C 0.874 175.592 174.700 0.028 0.000 1.233 339 T CA 0.017 62.141 62.100 0.039 0.000 1.038 339 T CB 1.006 69.891 68.868 0.028 0.000 1.089 339 T HN 0.879 nan 8.240 nan 0.000 0.531 340 G N 3.441 112.261 108.800 0.034 0.000 3.181 340 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.322 340 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.322 340 G C 0.723 175.638 174.900 0.024 0.000 1.246 340 G CA 0.085 45.202 45.100 0.028 0.000 0.989 340 G HN 1.681 nan 8.290 nan 0.000 0.607 341 G N 0.116 108.923 108.800 0.012 0.000 4.222 341 G HA2 0.538 4.498 3.960 -0.001 0.000 0.301 341 G HA3 0.538 4.498 3.960 -0.001 0.000 0.301 341 G C -0.088 174.799 174.900 -0.022 0.000 1.171 341 G CA 1.163 46.263 45.100 0.000 0.000 0.937 341 G HN 1.090 nan 8.290 nan 0.000 0.557 342 T N 1.607 116.146 114.554 -0.025 0.000 2.985 342 T HA 0.364 4.714 4.350 -0.001 0.000 0.315 342 T C -0.117 174.551 174.700 -0.055 0.000 1.001 342 T CA -0.416 61.659 62.100 -0.042 0.000 1.016 342 T CB 1.236 70.092 68.868 -0.020 0.000 0.993 342 T HN 0.116 nan 8.240 nan 0.000 0.454 343 L N 2.925 124.066 121.223 -0.137 0.000 2.331 343 L HA 0.664 5.004 4.340 -0.001 0.000 0.278 343 L C 0.230 177.050 176.870 -0.084 0.000 1.106 343 L CA -0.696 54.029 54.840 -0.192 0.000 0.824 343 L CB 0.559 42.261 42.059 -0.595 0.000 1.142 343 L HN 0.475 nan 8.230 nan 0.000 0.443 344 Q N 3.056 122.871 119.800 0.025 0.000 2.321 344 Q HA 0.542 4.881 4.340 -0.001 0.000 0.270 344 Q C -1.484 174.557 176.000 0.067 0.000 1.032 344 Q CA -0.500 55.317 55.803 0.023 0.000 0.784 344 Q CB 1.805 30.558 28.738 0.024 0.000 1.264 344 Q HN 0.467 nan 8.270 nan 0.000 0.448 345 L N 2.362 123.587 121.223 0.003 0.000 2.399 345 L HA 0.913 5.253 4.340 -0.001 0.000 0.265 345 L C -0.222 176.633 176.870 -0.025 0.000 1.089 345 L CA -0.095 54.742 54.840 -0.005 0.000 0.802 345 L CB 1.568 43.547 42.059 -0.134 0.000 1.180 345 L HN 0.860 nan 8.230 nan 0.000 0.454 346 A N 0.252 123.097 122.820 0.043 0.000 2.350 346 A HA 0.505 4.825 4.320 -0.001 0.000 0.318 346 A C -0.420 177.267 177.584 0.172 0.000 1.132 346 A CA -0.614 51.466 52.037 0.072 0.000 0.811 346 A CB 0.617 19.662 19.000 0.076 0.000 1.313 346 A HN 0.721 nan 8.150 nan 0.000 0.454 347 D N 1.463 121.951 120.400 0.147 0.000 2.977 347 D HA 0.211 4.851 4.640 -0.001 0.000 0.241 347 D C -0.082 176.290 176.300 0.120 0.000 1.206 347 D CA 0.545 54.658 54.000 0.188 0.000 0.902 347 D CB -0.306 40.567 40.800 0.122 0.000 1.131 347 D HN 0.198 nan 8.370 nan 0.000 0.447 348 V N 0.339 120.328 119.914 0.125 0.000 2.612 348 V HA 0.525 4.645 4.120 -0.001 0.000 0.301 348 V C 0.810 176.911 176.094 0.012 0.000 1.046 348 V CA -1.421 60.918 62.300 0.065 0.000 0.946 348 V CB 1.633 33.498 31.823 0.070 0.000 1.003 348 V HN 0.211 nan 8.190 nan 0.000 0.459 349 A N 2.659 125.470 122.820 -0.014 0.000 2.483 349 A HA 0.610 4.930 4.320 -0.001 0.000 0.238 349 A C 1.180 178.694 177.584 -0.117 0.000 1.070 349 A CA 0.745 52.739 52.037 -0.071 0.000 0.770 349 A CB -0.621 18.354 19.000 -0.041 0.000 1.008 349 A HN 2.335 nan 8.150 nan 0.000 0.497 350 G N 1.359 110.038 108.800 -0.201 0.000 2.552 350 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.265 350 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.265 350 G C 0.402 175.189 174.900 -0.189 0.000 1.234 350 G CA 1.308 46.236 45.100 -0.286 0.000 0.944 350 G HN 2.269 nan 8.290 nan 0.000 0.568 351 H N -0.011 119.041 119.070 -0.029 0.000 2.535 351 H HA 0.413 4.969 4.556 -0.001 0.000 0.273 351 H C 2.206 177.546 175.328 0.021 0.000 0.983 351 H CA 1.240 57.295 56.048 0.011 0.000 1.238 351 H CB -0.471 29.349 29.762 0.096 0.000 1.412 351 H HN 2.329 nan 8.280 nan 0.000 0.562 352 G N 0.031 108.987 108.800 0.259 0.000 2.148 352 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.254 352 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.254 352 G C 0.030 175.033 174.900 0.172 0.000 0.981 352 G CA 0.379 45.583 45.100 0.173 0.000 0.670 352 G HN 0.748 nan 8.290 nan 0.000 0.528 353 V N 0.906 120.975 119.914 0.260 0.000 2.357 353 V HA 0.718 4.838 4.120 -0.001 0.000 0.284 353 V C -0.154 176.030 176.094 0.150 0.000 1.018 353 V CA -1.059 61.273 62.300 0.053 0.000 0.841 353 V CB 1.077 32.751 31.823 -0.248 0.000 0.991 353 V HN 0.308 nan 8.190 nan 0.000 0.437 354 N N 4.999 123.808 118.700 0.181 0.000 2.741 354 N HA 0.644 5.383 4.740 -0.001 0.000 0.310 354 N C -0.544 175.138 175.510 0.286 0.000 1.295 354 N CA -0.517 52.659 53.050 0.211 0.000 0.893 354 N CB 1.825 40.395 38.487 0.137 0.000 1.247 354 N HN 0.550 nan 8.380 nan 0.000 0.596 355 L N 0.151 121.491 121.223 0.194 0.000 2.585 355 L HA 0.458 4.798 4.340 -0.001 0.000 0.260 355 L C 0.060 176.954 176.870 0.040 0.000 1.085 355 L CA -0.506 54.399 54.840 0.109 0.000 0.913 355 L CB 0.627 42.727 42.059 0.067 0.000 1.638 355 L HN 0.441 nan 8.230 nan 0.000 0.531 356 E N 0.000 120.189 120.200 -0.019 0.000 2.725 356 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 356 E CA 0.000 56.388 56.400 -0.020 0.000 0.976 356 E CB 0.000 29.675 29.700 -0.041 0.000 0.812 356 E HN 0.000 nan 8.360 nan 0.000 0.440