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 3hk7_1_A DATA FIRST_RESID 2 DATA SEQUENCE SINSREVLAE KVKNAVNNQP VTDMHTHLFS PNFGEILLWD IDELLTYHYL DATA SEQUENCE VAEVMRWTDV SIEAFWAMSK REQADLIWEE LFIKRSPVSE ACRGVLTCLQ DATA SEQUENCE GLGLDPATRD LQVYREYFAK KTSEEQVDTV LQLANVSDVV MTNDPFDDNE DATA SEQUENCE RISWLEGKQP DSRFHAALRL DPLLNEYEQT KHRLRDWGYK VNDEWNEGSI DATA SEQUENCE QEVKRFLTDW IERMDPVYMA VSLPPTFSFP EESNRGRIIR DCLLPVAEKH DATA SEQUENCE NIPFAMMIGV KKRVHPALGD AGDFVGKASM DGVEHLLREY PNNKFLVTML DATA SEQUENCE SRENQHELVV LARKFSNLMI FGCWWFMNNP EIINEMTRMR MEMLGTSFIP DATA SEQUENCE QHSDARVLEQ LIYKWHHSKS IIAEVLIDKY DDILQAGWEV TEEEIKRDVA DATA SEQUENCE DLFSRNFWRF VGR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.587 174.600 -0.022 0.000 1.055 2 S CA 0.000 58.184 58.200 -0.026 0.000 1.107 2 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 3 I N 3.578 124.131 120.570 -0.028 0.000 2.311 3 I HA 0.226 4.396 4.170 -0.001 0.000 0.297 3 I C 0.815 176.928 176.117 -0.007 0.000 1.131 3 I CA -0.312 60.975 61.300 -0.021 0.000 1.289 3 I CB -0.093 37.884 38.000 -0.039 0.000 1.446 3 I HN 0.749 nan 8.210 nan 0.000 0.524 4 N N 4.511 123.212 118.700 0.001 0.000 2.291 4 N HA 0.068 4.808 4.740 -0.001 0.000 0.244 4 N C -0.444 175.079 175.510 0.021 0.000 1.216 4 N CA -0.276 52.780 53.050 0.010 0.000 0.879 4 N CB 0.712 39.201 38.487 0.004 0.000 1.167 4 N HN 0.528 nan 8.380 nan 0.000 0.515 5 S N -1.491 114.224 115.700 0.025 0.000 2.567 5 S HA 0.375 4.844 4.470 -0.001 0.000 0.270 5 S C 0.429 175.053 174.600 0.040 0.000 1.152 5 S CA -0.902 57.318 58.200 0.032 0.000 0.835 5 S CB 2.299 65.514 63.200 0.025 0.000 1.115 5 S HN 0.090 nan 8.310 nan 0.000 0.459 6 R N 0.740 121.268 120.500 0.047 0.000 2.096 6 R HA -0.113 4.226 4.340 -0.001 0.000 0.235 6 R C 1.979 178.307 176.300 0.048 0.000 1.127 6 R CA 1.983 58.117 56.100 0.056 0.000 0.968 6 R CB -0.430 29.903 30.300 0.055 0.000 0.861 6 R HN 0.890 nan 8.270 nan 0.000 0.440 7 E N -0.307 119.915 120.200 0.037 0.000 2.058 7 E HA -0.177 4.173 4.350 -0.001 0.000 0.194 7 E C 1.794 178.411 176.600 0.028 0.000 0.997 7 E CA 1.639 58.058 56.400 0.032 0.000 0.801 7 E CB 0.112 29.828 29.700 0.026 0.000 0.746 7 E HN 0.211 nan 8.360 nan 0.000 0.450 8 V N 0.971 120.899 119.914 0.023 0.000 2.453 8 V HA -0.213 3.906 4.120 -0.001 0.000 0.247 8 V C 2.341 178.443 176.094 0.014 0.000 1.048 8 V CA 1.168 63.477 62.300 0.015 0.000 1.049 8 V CB -0.350 31.477 31.823 0.007 0.000 0.672 8 V HN 0.313 nan 8.190 nan 0.000 0.457 9 L N 0.872 122.109 121.223 0.023 0.000 2.017 9 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 9 L C 2.518 179.416 176.870 0.047 0.000 1.073 9 L CA 2.344 57.199 54.840 0.026 0.000 0.745 9 L CB -1.009 41.085 42.059 0.057 0.000 0.894 9 L HN 0.251 nan 8.230 nan 0.000 0.432 10 A N -0.990 121.864 122.820 0.056 0.000 1.908 10 A HA -0.300 4.020 4.320 -0.001 0.000 0.218 10 A C 2.320 179.933 177.584 0.049 0.000 1.181 10 A CA 1.998 54.072 52.037 0.062 0.000 0.627 10 A CB -0.728 18.304 19.000 0.054 0.000 0.818 10 A HN 0.617 nan 8.150 nan 0.000 0.445 11 E N -0.324 119.896 120.200 0.034 0.000 2.017 11 E HA -0.231 4.119 4.350 -0.001 0.000 0.193 11 E C 1.844 178.456 176.600 0.020 0.000 0.997 11 E CA 1.368 57.783 56.400 0.025 0.000 0.804 11 E CB -0.083 29.628 29.700 0.018 0.000 0.757 11 E HN 0.367 nan 8.360 nan 0.000 0.448 12 K N 0.330 120.736 120.400 0.010 0.000 2.057 12 K HA -0.107 4.213 4.320 -0.001 0.000 0.207 12 K C 2.254 178.861 176.600 0.011 0.000 1.049 12 K CA 0.933 57.218 56.287 -0.003 0.000 0.931 12 K CB -0.600 31.881 32.500 -0.032 0.000 0.714 12 K HN 0.148 nan 8.250 nan 0.000 0.440 13 V N 1.763 121.699 119.914 0.036 0.000 2.307 13 V HA -0.218 3.902 4.120 -0.001 0.000 0.245 13 V C 2.347 178.490 176.094 0.082 0.000 1.045 13 V CA 1.645 63.999 62.300 0.090 0.000 1.024 13 V CB -0.392 31.530 31.823 0.166 0.000 0.651 13 V HN 0.314 nan 8.190 nan 0.000 0.449 14 K N 0.194 120.633 120.400 0.064 0.000 2.032 14 K HA -0.199 4.121 4.320 -0.001 0.000 0.209 14 K C 2.102 178.717 176.600 0.026 0.000 1.048 14 K CA 1.792 58.107 56.287 0.048 0.000 0.927 14 K CB -0.336 32.189 32.500 0.042 0.000 0.712 14 K HN 0.417 nan 8.250 nan 0.000 0.441 15 N N 0.897 119.609 118.700 0.021 0.000 2.043 15 N HA -0.166 4.574 4.740 -0.001 0.000 0.193 15 N C 1.760 177.268 175.510 -0.003 0.000 1.037 15 N CA 1.548 54.602 53.050 0.007 0.000 0.851 15 N CB -0.559 37.932 38.487 0.006 0.000 1.027 15 N HN 0.199 nan 8.380 nan 0.000 0.422 16 A N 0.904 123.729 122.820 0.009 0.000 1.865 16 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 16 A C 2.550 180.122 177.584 -0.020 0.000 1.191 16 A CA 1.786 53.828 52.037 0.008 0.000 0.623 16 A CB -1.009 18.015 19.000 0.039 0.000 0.826 16 A HN 0.115 nan 8.150 nan 0.000 0.444 17 V N 0.758 120.668 119.914 -0.007 0.000 2.332 17 V HA -0.328 3.792 4.120 -0.001 0.000 0.248 17 V C 2.176 178.151 176.094 -0.198 0.000 1.055 17 V CA 2.356 64.596 62.300 -0.101 0.000 1.038 17 V CB -1.210 30.619 31.823 0.010 0.000 0.651 17 V HN 0.652 nan 8.190 nan 0.000 0.450 18 N N 0.424 119.066 118.700 -0.097 0.000 2.166 18 N HA -0.144 4.596 4.740 -0.001 0.000 0.186 18 N C 1.463 176.913 175.510 -0.099 0.000 1.019 18 N CA 1.271 54.272 53.050 -0.083 0.000 0.856 18 N CB -0.135 38.338 38.487 -0.024 0.000 0.993 18 N HN 0.488 nan 8.380 nan 0.000 0.426 19 N N 0.681 119.329 118.700 -0.086 0.000 2.424 19 N HA -0.057 4.682 4.740 -0.001 0.000 0.178 19 N C 0.135 175.582 175.510 -0.105 0.000 1.060 19 N CA 0.283 53.286 53.050 -0.078 0.000 0.901 19 N CB 0.054 38.514 38.487 -0.045 0.000 0.979 19 N HN 0.244 nan 8.380 nan 0.000 0.451 20 Q N 3.094 122.803 119.800 -0.152 0.000 2.286 20 Q HA 0.135 4.475 4.340 -0.001 0.000 0.267 20 Q C -2.480 173.390 176.000 -0.215 0.000 1.028 20 Q CA -1.719 53.989 55.803 -0.159 0.000 0.901 20 Q CB 0.712 29.344 28.738 -0.177 0.000 1.183 20 Q HN 0.120 nan 8.270 nan 0.000 0.392 21 P HA -0.002 nan 4.420 nan 0.000 0.271 21 P C -0.857 176.322 177.300 -0.201 0.000 1.220 21 P CA -0.082 62.920 63.100 -0.164 0.000 0.768 21 P CB 0.868 32.510 31.700 -0.098 0.000 0.848 22 V N 4.252 123.962 119.914 -0.341 0.000 2.509 22 V HA 0.209 4.329 4.120 -0.001 0.000 0.284 22 V C 0.916 176.803 176.094 -0.345 0.000 1.047 22 V CA 0.190 62.205 62.300 -0.475 0.000 0.952 22 V CB 1.125 32.295 31.823 -1.088 0.000 0.988 22 V HN 0.529 nan 8.190 nan 0.000 0.469 23 T N 3.484 117.911 114.554 -0.213 0.000 2.770 23 T HA 0.184 4.534 4.350 -0.001 0.000 0.297 23 T C -0.304 174.265 174.700 -0.219 0.000 0.997 23 T CA -0.212 61.825 62.100 -0.105 0.000 0.949 23 T CB 0.415 69.341 68.868 0.097 0.000 0.941 23 T HN 0.684 nan 8.240 nan 0.000 0.457 24 D N 4.418 124.717 120.400 -0.167 0.000 2.441 24 D HA 0.151 4.790 4.640 -0.001 0.000 0.221 24 D C 1.202 177.388 176.300 -0.190 0.000 1.156 24 D CA -0.603 53.416 54.000 0.033 0.000 0.896 24 D CB 0.878 41.785 40.800 0.177 0.000 1.028 24 D HN 0.444 nan 8.370 nan 0.000 0.509 25 M N 1.993 121.345 119.600 -0.413 0.000 2.722 25 M HA 0.134 4.614 4.480 -0.001 0.000 0.238 25 M C -0.170 175.912 176.300 -0.363 0.000 1.098 25 M CA 0.605 55.423 55.300 -0.804 0.000 1.062 25 M CB -0.329 31.262 32.600 -1.682 0.000 1.573 25 M HN 0.214 nan 8.290 nan 0.000 0.531 26 H N -0.086 118.826 119.070 -0.263 0.000 3.235 26 H HA 0.566 5.121 4.556 -0.001 0.000 0.324 26 H C -1.261 174.019 175.328 -0.080 0.000 1.059 26 H CA -0.274 55.638 56.048 -0.227 0.000 1.497 26 H CB 0.860 30.353 29.762 -0.448 0.000 1.986 26 H HN 0.359 nan 8.280 nan 0.000 0.444 27 T N 1.118 115.280 114.554 -0.653 0.000 2.787 27 T HA 0.309 4.659 4.350 -0.001 0.000 0.297 27 T C -0.578 173.665 174.700 -0.761 0.000 1.221 27 T CA -0.872 60.911 62.100 -0.528 0.000 1.006 27 T CB 1.660 70.396 68.868 -0.219 0.000 1.328 27 T HN 0.668 nan 8.240 nan 0.000 0.509 28 H N 0.567 119.460 119.070 -0.295 0.000 2.481 28 H HA 0.444 5.000 4.556 -0.001 0.000 0.273 28 H C -0.272 174.839 175.328 -0.362 0.000 1.145 28 H CA -0.163 55.713 56.048 -0.286 0.000 0.964 28 H CB 0.096 29.816 29.762 -0.070 0.000 1.722 28 H HN 0.330 nan 8.280 nan 0.000 0.573 29 L N 0.187 121.194 121.223 -0.360 0.000 2.358 29 L HA 0.442 4.782 4.340 -0.001 0.000 0.268 29 L C -0.558 175.957 176.870 -0.591 0.000 1.032 29 L CA -0.715 53.999 54.840 -0.210 0.000 0.805 29 L CB 1.116 43.217 42.059 0.070 0.000 1.253 29 L HN -0.058 nan 8.230 nan 0.000 0.452 30 F N -0.890 119.019 119.950 -0.068 0.000 2.588 30 F HA 0.280 4.807 4.527 -0.001 0.000 0.310 30 F C 0.473 175.749 175.800 -0.873 0.000 1.082 30 F CA -0.672 57.086 58.000 -0.405 0.000 0.929 30 F CB 2.005 40.784 39.000 -0.369 0.000 1.254 30 F HN 0.285 nan 8.300 nan 0.000 0.455 31 S N 4.033 119.044 115.700 -1.149 0.000 2.558 31 S HA 0.030 4.500 4.470 -0.001 0.000 0.293 31 S C -1.109 173.168 174.600 -0.538 0.000 1.292 31 S CA -0.942 56.409 58.200 -1.416 0.000 1.063 31 S CB 0.615 63.457 63.200 -0.597 0.000 0.831 31 S HN 0.488 nan 8.310 nan 0.000 0.499 32 P HA -0.188 nan 4.420 nan 0.000 0.217 32 P C 0.797 178.085 177.300 -0.019 0.000 1.148 32 P CA 1.212 64.228 63.100 -0.140 0.000 0.828 32 P CB -0.326 31.304 31.700 -0.116 0.000 0.783 33 N N -0.763 117.940 118.700 0.005 0.000 2.567 33 N HA -0.101 4.639 4.740 -0.001 0.000 0.195 33 N C 0.712 176.201 175.510 -0.034 0.000 1.242 33 N CA 0.373 53.416 53.050 -0.011 0.000 0.884 33 N CB -0.998 37.457 38.487 -0.053 0.000 1.007 33 N HN 0.152 nan 8.380 nan 0.000 0.450 34 F N 0.206 120.054 119.950 -0.169 0.000 2.721 34 F HA 0.333 4.860 4.527 -0.001 0.000 0.301 34 F C 1.964 177.684 175.800 -0.134 0.000 1.096 34 F CA 0.327 58.218 58.000 -0.182 0.000 1.308 34 F CB 0.096 38.970 39.000 -0.211 0.000 1.086 34 F HN 0.261 nan 8.300 nan 0.000 0.587 35 G N 0.561 109.406 108.800 0.075 0.000 2.528 35 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.262 35 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.262 35 G C 1.054 176.003 174.900 0.083 0.000 1.200 35 G CA 0.233 45.368 45.100 0.058 0.000 0.951 35 G HN 0.121 nan 8.290 nan 0.000 0.566 36 E N -0.411 119.825 120.200 0.060 0.000 2.196 36 E HA -0.298 4.052 4.350 -0.001 0.000 0.222 36 E C 2.432 179.069 176.600 0.061 0.000 1.072 36 E CA 1.922 58.356 56.400 0.057 0.000 0.902 36 E CB -0.353 29.359 29.700 0.020 0.000 0.780 36 E HN 0.647 nan 8.360 nan 0.000 0.467 37 I N 0.810 121.377 120.570 -0.005 0.000 2.300 37 I HA -0.241 3.929 4.170 -0.001 0.000 0.252 37 I C 1.112 177.296 176.117 0.113 0.000 1.119 37 I CA 0.429 61.682 61.300 -0.079 0.000 1.384 37 I CB 0.070 37.807 38.000 -0.438 0.000 1.062 37 I HN 0.001 nan 8.210 nan 0.000 0.426 38 L N 2.830 124.172 121.223 0.198 0.000 2.385 38 L HA 0.267 4.607 4.340 -0.001 0.000 0.281 38 L C -0.436 176.644 176.870 0.349 0.000 1.106 38 L CA 0.244 55.278 54.840 0.323 0.000 0.856 38 L CB 0.160 42.360 42.059 0.234 0.000 1.186 38 L HN -0.008 nan 8.230 nan 0.000 0.453 39 L N 6.499 127.912 121.223 0.316 0.000 2.375 39 L HA 0.573 4.913 4.340 -0.001 0.000 0.271 39 L C -0.352 176.736 176.870 0.364 0.000 1.107 39 L CA -0.515 54.477 54.840 0.254 0.000 0.806 39 L CB 0.813 42.973 42.059 0.170 0.000 1.146 39 L HN 0.760 nan 8.230 nan 0.000 0.447 40 W N 2.178 123.488 121.300 0.016 0.000 2.982 40 W HA 0.500 5.160 4.660 -0.001 0.000 0.344 40 W C -1.769 174.665 176.519 -0.141 0.000 1.215 40 W CA -1.082 56.251 57.345 -0.021 0.000 1.182 40 W CB 0.698 30.191 29.460 0.053 0.000 1.437 40 W HN 0.735 nan 8.180 nan 0.000 0.570 41 D N -1.128 119.166 120.400 -0.177 0.000 10.538 41 D HA -0.241 4.399 4.640 -0.001 0.000 0.332 41 D C -0.435 175.288 176.300 -0.963 0.000 3.156 41 D CA 0.229 53.581 54.000 -1.080 0.000 2.703 41 D CB -0.809 39.419 40.800 -0.953 0.000 1.270 41 D HN 0.490 nan 8.370 nan 0.000 0.954 42 I N 0.397 120.183 120.570 -1.306 0.000 2.361 42 I HA -0.119 4.051 4.170 -0.001 0.000 0.251 42 I C 1.482 177.454 176.117 -0.242 0.000 1.133 42 I CA 1.640 62.657 61.300 -0.472 0.000 1.413 42 I CB -0.477 37.445 38.000 -0.131 0.000 1.073 42 I HN 0.453 nan 8.210 nan 0.000 0.424 43 D N 0.333 120.582 120.400 -0.252 0.000 2.149 43 D HA -0.139 4.501 4.640 -0.001 0.000 0.201 43 D C 1.937 178.198 176.300 -0.065 0.000 0.972 43 D CA 0.950 54.875 54.000 -0.124 0.000 0.835 43 D CB -0.026 40.697 40.800 -0.128 0.000 0.966 43 D HN 0.457 nan 8.370 nan 0.000 0.476 44 E N 0.699 120.828 120.200 -0.118 0.000 2.107 44 E HA -0.054 4.296 4.350 -0.001 0.000 0.191 44 E C 2.533 179.153 176.600 0.032 0.000 0.982 44 E CA 0.136 56.518 56.400 -0.029 0.000 0.809 44 E CB -0.082 29.579 29.700 -0.064 0.000 0.756 44 E HN 0.355 nan 8.360 nan 0.000 0.459 45 L N 0.458 121.669 121.223 -0.021 0.000 2.017 45 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 45 L C 2.548 179.500 176.870 0.136 0.000 1.073 45 L CA 0.869 55.724 54.840 0.026 0.000 0.745 45 L CB -0.395 41.659 42.059 -0.007 0.000 0.894 45 L HN 0.107 nan 8.230 nan 0.000 0.432 46 L N -0.488 120.813 121.223 0.130 0.000 2.275 46 L HA -0.129 4.210 4.340 -0.001 0.000 0.215 46 L C 2.087 179.123 176.870 0.277 0.000 1.119 46 L CA 1.434 56.408 54.840 0.224 0.000 0.790 46 L CB -0.622 41.549 42.059 0.186 0.000 0.919 46 L HN 0.436 nan 8.230 nan 0.000 0.443 47 T N -4.788 109.918 114.554 0.253 0.000 3.145 47 T HA 0.018 4.368 4.350 -0.001 0.000 0.255 47 T C 0.357 175.285 174.700 0.380 0.000 1.039 47 T CA -0.447 61.845 62.100 0.319 0.000 0.928 47 T CB -0.411 68.619 68.868 0.270 0.000 1.029 47 T HN 0.041 nan 8.240 nan 0.000 0.554 48 Y N 4.326 124.737 120.300 0.186 0.000 2.811 48 Y HA 0.063 4.613 4.550 -0.001 0.000 0.334 48 Y C 1.583 177.622 175.900 0.231 0.000 1.247 48 Y CA -0.674 57.511 58.100 0.141 0.000 1.526 48 Y CB 0.404 38.887 38.460 0.039 0.000 1.284 48 Y HN 0.535 nan 8.280 nan 0.000 0.586 49 H N 2.940 122.103 119.070 0.156 0.000 2.489 49 H HA -0.187 4.368 4.556 -0.001 0.000 0.295 49 H C 1.045 176.421 175.328 0.079 0.000 1.082 49 H CA 2.136 58.270 56.048 0.144 0.000 1.295 49 H CB -0.700 29.163 29.762 0.168 0.000 1.380 49 H HN 0.678 nan 8.280 nan 0.000 0.548 50 Y N 0.539 120.365 120.300 -0.789 0.000 2.224 50 Y HA -0.073 4.477 4.550 -0.001 0.000 0.289 50 Y C 2.078 177.931 175.900 -0.079 0.000 1.146 50 Y CA 0.994 58.837 58.100 -0.427 0.000 1.182 50 Y CB -0.446 37.655 38.460 -0.599 0.000 0.983 50 Y HN 0.248 nan 8.280 nan 0.000 0.524 51 L N -1.730 119.596 121.223 0.171 0.000 2.313 51 L HA -0.086 4.253 4.340 -0.001 0.000 0.214 51 L C 2.243 179.174 176.870 0.103 0.000 1.119 51 L CA 0.583 55.533 54.840 0.182 0.000 0.809 51 L CB -0.864 41.355 42.059 0.267 0.000 0.933 51 L HN -0.022 nan 8.230 nan 0.000 0.449 52 V N -0.108 119.858 119.914 0.087 0.000 2.261 52 V HA -0.289 3.830 4.120 -0.001 0.000 0.246 52 V C 2.739 178.752 176.094 -0.136 0.000 1.047 52 V CA 1.743 63.983 62.300 -0.100 0.000 1.015 52 V CB -1.135 30.682 31.823 -0.010 0.000 0.642 52 V HN 0.475 nan 8.190 nan 0.000 0.446 53 A N -0.478 122.338 122.820 -0.007 0.000 1.908 53 A HA -0.288 4.031 4.320 -0.001 0.000 0.218 53 A C 2.182 179.742 177.584 -0.040 0.000 1.181 53 A CA 2.166 54.192 52.037 -0.017 0.000 0.627 53 A CB -0.525 18.509 19.000 0.056 0.000 0.818 53 A HN 0.645 nan 8.150 nan 0.000 0.445 54 E N -0.981 119.221 120.200 0.003 0.000 2.106 54 E HA -0.095 4.254 4.350 -0.001 0.000 0.192 54 E C 1.954 178.580 176.600 0.044 0.000 0.984 54 E CA 1.016 57.428 56.400 0.020 0.000 0.806 54 E CB -0.203 29.537 29.700 0.067 0.000 0.750 54 E HN 0.389 nan 8.360 nan 0.000 0.458 55 V N 0.951 120.872 119.914 0.013 0.000 2.427 55 V HA -0.199 3.921 4.120 -0.001 0.000 0.248 55 V C 1.883 177.961 176.094 -0.027 0.000 1.051 55 V CA 1.225 63.544 62.300 0.032 0.000 1.048 55 V CB -0.120 31.674 31.823 -0.049 0.000 0.666 55 V HN 0.303 nan 8.190 nan 0.000 0.456 56 M N -0.557 118.954 119.600 -0.148 0.000 2.539 56 M HA -0.054 4.426 4.480 -0.001 0.000 0.261 56 M C 2.005 178.242 176.300 -0.105 0.000 1.069 56 M CA 1.302 56.510 55.300 -0.153 0.000 1.081 56 M CB -1.296 31.185 32.600 -0.200 0.000 1.412 56 M HN 0.333 nan 8.290 nan 0.000 0.482 57 R N -2.296 118.126 120.500 -0.131 0.000 2.276 57 R HA -0.052 4.288 4.340 -0.001 0.000 0.196 57 R C 1.405 177.497 176.300 -0.346 0.000 0.961 57 R CA 0.681 56.618 56.100 -0.272 0.000 1.024 57 R CB 0.218 30.282 30.300 -0.392 0.000 0.940 57 R HN 0.434 nan 8.270 nan 0.000 0.480 58 W N -0.669 120.593 121.300 -0.064 0.000 3.614 58 W HA 0.123 4.783 4.660 -0.000 0.000 0.229 58 W C 0.970 177.464 176.519 -0.042 0.000 0.916 58 W CA -0.317 56.998 57.345 -0.051 0.000 2.162 58 W CB -0.339 29.090 29.460 -0.051 0.000 1.061 58 W HN -0.261 nan 8.180 nan 0.000 0.704 59 T N 2.238 116.925 114.554 0.223 0.000 2.908 59 T HA -0.062 4.288 4.350 -0.001 0.000 0.301 59 T C 0.572 175.315 174.700 0.071 0.000 1.019 59 T CA 0.514 62.683 62.100 0.116 0.000 1.152 59 T CB 0.468 69.378 68.868 0.070 0.000 0.966 59 T HN 0.192 nan 8.240 nan 0.000 0.540 60 D N 3.433 123.874 120.400 0.068 0.000 2.336 60 D HA 0.026 4.666 4.640 -0.001 0.000 0.229 60 D C 0.480 176.804 176.300 0.040 0.000 1.061 60 D CA -0.077 53.952 54.000 0.048 0.000 0.875 60 D CB -0.324 40.505 40.800 0.048 0.000 0.904 60 D HN 0.305 nan 8.370 nan 0.000 0.525 61 V N 1.906 121.847 119.914 0.044 0.000 2.470 61 V HA 0.105 4.225 4.120 -0.001 0.000 0.276 61 V C 0.984 177.099 176.094 0.035 0.000 1.040 61 V CA -0.622 61.709 62.300 0.052 0.000 1.008 61 V CB 0.537 32.410 31.823 0.083 0.000 0.990 61 V HN 0.384 nan 8.190 nan 0.000 0.477 62 S N 5.041 120.766 115.700 0.043 0.000 2.566 62 S HA 0.058 4.528 4.470 -0.001 0.000 0.280 62 S C 1.067 175.688 174.600 0.035 0.000 1.343 62 S CA -0.211 58.013 58.200 0.040 0.000 1.036 62 S CB 0.517 63.750 63.200 0.056 0.000 0.866 62 S HN 0.628 nan 8.310 nan 0.000 0.526 63 I N 1.663 122.243 120.570 0.017 0.000 2.361 63 I HA -0.071 4.099 4.170 -0.001 0.000 0.251 63 I C 2.033 178.188 176.117 0.063 0.000 1.133 63 I CA 1.607 62.884 61.300 -0.038 0.000 1.413 63 I CB -0.771 37.237 38.000 0.014 0.000 1.073 63 I HN 0.856 nan 8.210 nan 0.000 0.424 64 E N 0.790 121.082 120.200 0.153 0.000 2.051 64 E HA -0.135 4.214 4.350 -0.001 0.000 0.192 64 E C 2.304 179.008 176.600 0.174 0.000 0.991 64 E CA 1.576 58.105 56.400 0.216 0.000 0.799 64 E CB -0.642 29.153 29.700 0.157 0.000 0.748 64 E HN 0.575 nan 8.360 nan 0.000 0.449 65 A N 0.536 123.424 122.820 0.115 0.000 1.908 65 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 65 A C 2.099 179.728 177.584 0.074 0.000 1.181 65 A CA 1.392 53.482 52.037 0.089 0.000 0.627 65 A CB -0.881 18.164 19.000 0.074 0.000 0.818 65 A HN 0.336 nan 8.150 nan 0.000 0.445 66 F N -0.690 119.197 119.950 -0.106 0.000 2.065 66 F HA -0.231 4.296 4.527 -0.001 0.000 0.298 66 F C 2.067 177.785 175.800 -0.137 0.000 1.112 66 F CA 1.915 59.785 58.000 -0.216 0.000 1.212 66 F CB -0.622 38.093 39.000 -0.475 0.000 0.975 66 F HN 0.427 nan 8.300 nan 0.000 0.476 67 W N -0.082 121.252 121.300 0.056 0.000 2.392 67 W HA -0.074 4.585 4.660 -0.001 0.000 0.279 67 W C 2.522 178.990 176.519 -0.085 0.000 1.225 67 W CA 0.702 58.023 57.345 -0.040 0.000 1.233 67 W CB -0.614 28.895 29.460 0.083 0.000 1.122 67 W HN 0.116 nan 8.180 nan 0.000 0.561 68 A N 0.835 123.752 122.820 0.162 0.000 1.930 68 A HA -0.071 4.248 4.320 -0.001 0.000 0.217 68 A C 1.408 179.001 177.584 0.015 0.000 1.175 68 A CA 1.156 53.245 52.037 0.087 0.000 0.627 68 A CB -0.890 18.156 19.000 0.077 0.000 0.815 68 A HN 0.293 nan 8.150 nan 0.000 0.443 69 M N -0.160 119.407 119.600 -0.054 0.000 2.157 69 M HA 0.414 4.894 4.480 -0.001 0.000 0.304 69 M C 0.479 176.722 176.300 -0.094 0.000 1.171 69 M CA 0.022 55.274 55.300 -0.080 0.000 1.157 69 M CB 0.115 32.651 32.600 -0.108 0.000 1.403 69 M HN 0.258 nan 8.290 nan 0.000 0.473 70 S N 0.009 115.668 115.700 -0.069 0.000 2.614 70 S HA 0.198 4.667 4.470 -0.001 0.000 0.265 70 S C 0.713 175.268 174.600 -0.075 0.000 1.303 70 S CA -0.562 57.605 58.200 -0.055 0.000 1.000 70 S CB 1.385 64.564 63.200 -0.036 0.000 0.935 70 S HN 0.850 nan 8.310 nan 0.000 0.551 71 K N 1.341 121.712 120.400 -0.048 0.000 2.020 71 K HA -0.187 4.132 4.320 -0.001 0.000 0.212 71 K C 2.330 178.909 176.600 -0.035 0.000 1.050 71 K CA 2.120 58.385 56.287 -0.036 0.000 0.929 71 K CB -0.529 31.954 32.500 -0.028 0.000 0.714 71 K HN 0.756 nan 8.250 nan 0.000 0.443 72 R N 0.365 120.842 120.500 -0.039 0.000 2.120 72 R HA -0.104 4.235 4.340 -0.001 0.000 0.234 72 R C 1.950 178.240 176.300 -0.017 0.000 1.123 72 R CA 1.822 57.903 56.100 -0.033 0.000 0.975 72 R CB -0.108 30.168 30.300 -0.039 0.000 0.866 72 R HN 0.377 nan 8.270 nan 0.000 0.446 73 E N 0.076 120.260 120.200 -0.028 0.000 2.072 73 E HA -0.220 4.129 4.350 -0.001 0.000 0.191 73 E C 2.161 178.761 176.600 0.001 0.000 0.985 73 E CA 1.411 57.801 56.400 -0.017 0.000 0.801 73 E CB 0.022 29.700 29.700 -0.036 0.000 0.750 73 E HN 0.519 nan 8.360 nan 0.000 0.452 74 Q N 0.413 120.178 119.800 -0.058 0.000 2.046 74 Q HA -0.130 4.210 4.340 -0.001 0.000 0.200 74 Q C 2.303 178.408 176.000 0.174 0.000 0.975 74 Q CA 1.311 57.106 55.803 -0.012 0.000 0.836 74 Q CB -0.225 28.335 28.738 -0.296 0.000 0.896 74 Q HN 0.216 nan 8.270 nan 0.000 0.428 75 A N 1.764 124.654 122.820 0.116 0.000 1.917 75 A HA -0.261 4.059 4.320 -0.001 0.000 0.219 75 A C 1.692 179.382 177.584 0.176 0.000 1.182 75 A CA 1.946 54.069 52.037 0.144 0.000 0.633 75 A CB -0.557 18.476 19.000 0.054 0.000 0.819 75 A HN 0.285 nan 8.150 nan 0.000 0.448 76 D N -0.541 119.932 120.400 0.121 0.000 2.117 76 D HA -0.124 4.516 4.640 -0.001 0.000 0.197 76 D C 1.887 178.318 176.300 0.217 0.000 0.987 76 D CA 1.406 55.491 54.000 0.141 0.000 0.829 76 D CB -0.367 40.477 40.800 0.073 0.000 0.961 76 D HN 0.383 nan 8.370 nan 0.000 0.460 77 L N 1.097 122.438 121.223 0.197 0.000 1.994 77 L HA -0.106 4.234 4.340 -0.001 0.000 0.208 77 L C 2.242 179.252 176.870 0.234 0.000 1.071 77 L CA 1.350 56.311 54.840 0.202 0.000 0.745 77 L CB -0.570 41.620 42.059 0.219 0.000 0.892 77 L HN -0.051 nan 8.230 nan 0.000 0.431 78 I N -1.453 119.288 120.570 0.285 0.000 2.163 78 I HA -0.355 3.814 4.170 -0.001 0.000 0.243 78 I C 2.407 178.762 176.117 0.396 0.000 1.085 78 I CA 1.811 63.292 61.300 0.302 0.000 1.347 78 I CB -0.637 37.564 38.000 0.335 0.000 1.044 78 I HN 0.589 nan 8.210 nan 0.000 0.408 79 W N 2.170 123.607 121.300 0.229 0.000 2.338 79 W HA -0.278 4.382 4.660 -0.001 0.000 0.304 79 W C 2.358 179.026 176.519 0.250 0.000 1.212 79 W CA 2.160 59.634 57.345 0.215 0.000 1.264 79 W CB -0.100 29.346 29.460 -0.022 0.000 1.142 79 W HN 0.189 nan 8.180 nan 0.000 0.512 80 E N 0.618 120.995 120.200 0.294 0.000 2.046 80 E HA -0.201 4.149 4.350 -0.001 0.000 0.190 80 E C 1.996 178.607 176.600 0.017 0.000 0.982 80 E CA 1.797 58.283 56.400 0.144 0.000 0.800 80 E CB -0.447 29.349 29.700 0.160 0.000 0.756 80 E HN 0.089 nan 8.360 nan 0.000 0.449 81 E N -0.170 120.053 120.200 0.037 0.000 2.107 81 E HA -0.044 4.306 4.350 -0.001 0.000 0.191 81 E C 2.059 178.543 176.600 -0.192 0.000 0.982 81 E CA 0.793 57.154 56.400 -0.066 0.000 0.809 81 E CB 0.066 29.783 29.700 0.028 0.000 0.756 81 E HN 0.371 nan 8.360 nan 0.000 0.459 82 L N -1.336 119.826 121.223 -0.102 0.000 2.556 82 L HA 0.167 4.506 4.340 -0.001 0.000 0.226 82 L C 1.652 178.196 176.870 -0.544 0.000 1.089 82 L CA 0.131 54.803 54.840 -0.280 0.000 0.864 82 L CB 0.057 41.980 42.059 -0.227 0.000 1.067 82 L HN 0.002 nan 8.230 nan 0.000 0.477 83 F N -1.019 118.682 119.950 -0.414 0.000 2.602 83 F HA 0.148 4.675 4.527 -0.001 0.000 0.284 83 F C 2.027 177.538 175.800 -0.482 0.000 1.111 83 F CA 0.149 57.792 58.000 -0.595 0.000 1.405 83 F CB 0.382 38.627 39.000 -1.258 0.000 1.121 83 F HN -0.158 nan 8.300 nan 0.000 0.603 84 I N -0.263 120.170 120.570 -0.228 0.000 2.729 84 I HA -0.013 4.157 4.170 -0.001 0.000 0.256 84 I C 2.064 178.086 176.117 -0.158 0.000 1.115 84 I CA 0.799 62.011 61.300 -0.146 0.000 1.446 84 I CB -1.014 36.951 38.000 -0.058 0.000 1.176 84 I HN -0.046 nan 8.210 nan 0.000 0.446 85 K N 1.453 121.733 120.400 -0.199 0.000 2.097 85 K HA -0.070 4.250 4.320 -0.001 0.000 0.206 85 K C 0.434 176.824 176.600 -0.350 0.000 1.049 85 K CA 0.996 57.123 56.287 -0.266 0.000 0.933 85 K CB -0.137 32.161 32.500 -0.336 0.000 0.717 85 K HN 0.269 nan 8.250 nan 0.000 0.442 86 R N -0.603 119.664 120.500 -0.389 0.000 2.771 86 R HA 0.277 4.616 4.340 -0.001 0.000 0.274 86 R C -0.803 175.330 176.300 -0.279 0.000 0.987 86 R CA -0.367 55.516 56.100 -0.361 0.000 0.908 86 R CB 1.609 31.607 30.300 -0.503 0.000 1.213 86 R HN -0.184 nan 8.270 nan 0.000 0.468 87 S N 3.720 119.300 115.700 -0.200 0.000 2.549 87 S HA 0.110 4.579 4.470 -0.001 0.000 0.286 87 S C -1.855 172.599 174.600 -0.244 0.000 1.314 87 S CA -0.518 57.573 58.200 -0.181 0.000 1.062 87 S CB 0.378 63.511 63.200 -0.113 0.000 0.865 87 S HN 0.460 nan 8.310 nan 0.000 0.498 88 P HA 0.088 nan 4.420 nan 0.000 0.226 88 P C 0.805 177.948 177.300 -0.262 0.000 1.783 88 P CA -0.140 62.667 63.100 -0.489 0.000 0.980 88 P CB -0.492 30.715 31.700 -0.821 0.000 1.967 89 V N -0.883 118.931 119.914 -0.166 0.000 3.217 89 V HA -0.008 4.112 4.120 -0.001 0.000 0.264 89 V C 1.178 177.234 176.094 -0.063 0.000 1.135 89 V CA 0.516 62.761 62.300 -0.091 0.000 1.142 89 V CB -1.394 30.395 31.823 -0.057 0.000 0.754 89 V HN 0.375 nan 8.190 nan 0.000 0.484 90 S N 0.343 116.000 115.700 -0.071 0.000 2.584 90 S HA 0.159 4.628 4.470 -0.001 0.000 0.270 90 S C 1.088 175.691 174.600 0.005 0.000 1.346 90 S CA 0.558 58.749 58.200 -0.016 0.000 1.018 90 S CB 1.411 64.611 63.200 -0.001 0.000 0.899 90 S HN 0.481 nan 8.310 nan 0.000 0.542 91 E N 2.104 122.344 120.200 0.066 0.000 2.085 91 E HA -0.118 4.231 4.350 -0.001 0.000 0.194 91 E C 2.064 178.725 176.600 0.101 0.000 0.994 91 E CA 2.034 58.505 56.400 0.118 0.000 0.801 91 E CB -0.983 28.831 29.700 0.191 0.000 0.743 91 E HN 0.821 nan 8.360 nan 0.000 0.453 92 A N -0.289 122.610 122.820 0.131 0.000 1.933 92 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 92 A C 2.588 180.172 177.584 -0.000 0.000 1.175 92 A CA 1.494 53.605 52.037 0.124 0.000 0.628 92 A CB -0.935 18.228 19.000 0.271 0.000 0.814 92 A HN 0.501 nan 8.150 nan 0.000 0.444 93 C N -1.335 117.950 119.300 -0.025 0.000 2.466 93 C HA 0.008 4.468 4.460 -0.001 0.000 0.278 93 C C 2.772 177.751 174.990 -0.018 0.000 1.288 93 C CA 0.933 59.898 59.018 -0.088 0.000 1.722 93 C CB -1.150 26.314 27.740 -0.461 0.000 2.017 93 C HN 0.721 nan 8.230 nan 0.000 0.488 94 R N 1.154 121.624 120.500 -0.050 0.000 2.096 94 R HA -0.138 4.202 4.340 -0.001 0.000 0.240 94 R C 2.258 178.557 176.300 -0.001 0.000 1.139 94 R CA 2.168 58.273 56.100 0.009 0.000 0.952 94 R CB -0.845 29.466 30.300 0.017 0.000 0.854 94 R HN 0.554 nan 8.270 nan 0.000 0.436 95 G N 0.367 108.992 108.800 -0.292 0.000 2.469 95 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.219 95 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.219 95 G C 1.474 176.030 174.900 -0.574 0.000 1.150 95 G CA 1.033 45.431 45.100 -1.171 0.000 0.763 95 G HN 0.256 nan 8.290 nan 0.000 0.561 96 V N 1.144 120.916 119.914 -0.236 0.000 2.255 96 V HA -0.199 3.921 4.120 -0.001 0.000 0.247 96 V C 2.970 179.089 176.094 0.043 0.000 1.051 96 V CA 1.868 64.179 62.300 0.018 0.000 1.018 96 V CB -0.517 31.456 31.823 0.250 0.000 0.641 96 V HN 0.393 nan 8.190 nan 0.000 0.445 97 L N -0.543 120.742 121.223 0.104 0.000 2.042 97 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 97 L C 2.606 179.489 176.870 0.022 0.000 1.076 97 L CA 2.091 56.979 54.840 0.079 0.000 0.749 97 L CB -1.290 40.842 42.059 0.123 0.000 0.893 97 L HN 0.338 nan 8.230 nan 0.000 0.432 98 T N -0.847 113.733 114.554 0.044 0.000 2.720 98 T HA -0.193 4.157 4.350 -0.001 0.000 0.268 98 T C 2.069 176.770 174.700 0.001 0.000 1.037 98 T CA 1.591 63.716 62.100 0.042 0.000 1.144 98 T CB -0.383 68.592 68.868 0.178 0.000 0.864 98 T HN 0.401 nan 8.240 nan 0.000 0.444 99 C N 0.921 120.240 119.300 0.032 0.000 2.429 99 C HA 0.049 4.509 4.460 -0.001 0.000 0.277 99 C C 2.664 177.645 174.990 -0.015 0.000 1.262 99 C CA 0.256 59.304 59.018 0.049 0.000 1.733 99 C CB -1.437 26.366 27.740 0.105 0.000 2.010 99 C HN 0.513 nan 8.230 nan 0.000 0.483 100 L N 0.430 121.615 121.223 -0.064 0.000 1.955 100 L HA -0.274 4.066 4.340 -0.001 0.000 0.213 100 L C 2.821 179.592 176.870 -0.165 0.000 1.072 100 L CA 2.072 56.806 54.840 -0.176 0.000 0.755 100 L CB -1.051 40.815 42.059 -0.321 0.000 0.888 100 L HN 0.438 nan 8.230 nan 0.000 0.432 101 Q N 0.085 119.818 119.800 -0.112 0.000 2.077 101 Q HA -0.227 4.113 4.340 -0.001 0.000 0.206 101 Q C 2.103 178.051 176.000 -0.085 0.000 0.989 101 Q CA 2.060 57.813 55.803 -0.083 0.000 0.853 101 Q CB -0.392 28.313 28.738 -0.056 0.000 0.907 101 Q HN 0.565 nan 8.270 nan 0.000 0.418 102 G N 0.632 109.384 108.800 -0.081 0.000 2.462 102 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.220 102 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.220 102 G C 1.272 176.128 174.900 -0.072 0.000 1.121 102 G CA 0.680 45.742 45.100 -0.063 0.000 0.758 102 G HN 0.349 nan 8.290 nan 0.000 0.559 103 L N -0.475 120.667 121.223 -0.135 0.000 2.446 103 L HA 0.267 4.606 4.340 -0.001 0.000 0.219 103 L C 2.153 178.863 176.870 -0.266 0.000 1.116 103 L CA 0.644 55.336 54.840 -0.246 0.000 0.844 103 L CB 0.219 41.988 42.059 -0.483 0.000 0.970 103 L HN 0.410 nan 8.230 nan 0.000 0.457 104 G N -0.313 108.380 108.800 -0.178 0.000 2.211 104 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.201 104 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.201 104 G C 0.231 175.072 174.900 -0.097 0.000 0.997 104 G CA -0.478 44.557 45.100 -0.109 0.000 0.652 104 G HN 0.117 nan 8.290 nan 0.000 0.500 105 L N 0.931 122.056 121.223 -0.163 0.000 2.436 105 L HA 0.569 4.909 4.340 -0.001 0.000 0.265 105 L C 0.072 176.939 176.870 -0.006 0.000 1.168 105 L CA -0.381 54.424 54.840 -0.057 0.000 0.815 105 L CB 0.833 42.796 42.059 -0.160 0.000 1.109 105 L HN 0.157 nan 8.230 nan 0.000 0.462 106 D N 1.638 122.130 120.400 0.153 0.000 2.441 106 D HA 0.296 4.935 4.640 -0.001 0.000 0.231 106 D C -1.926 174.511 176.300 0.228 0.000 1.073 106 D CA -1.828 52.254 54.000 0.137 0.000 0.850 106 D CB 1.725 42.597 40.800 0.119 0.000 1.062 106 D HN 0.116 nan 8.370 nan 0.000 0.524 107 P HA -0.059 nan 4.420 nan 0.000 0.225 107 P C 0.869 178.306 177.300 0.228 0.000 1.148 107 P CA 0.648 63.864 63.100 0.192 0.000 0.779 107 P CB 0.285 32.045 31.700 0.099 0.000 0.780 108 A N -0.207 122.711 122.820 0.164 0.000 1.933 108 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 108 A C 2.240 179.913 177.584 0.147 0.000 1.175 108 A CA 2.330 54.445 52.037 0.130 0.000 0.628 108 A CB -1.816 17.238 19.000 0.090 0.000 0.814 108 A HN 0.340 nan 8.150 nan 0.000 0.444 109 T N -3.936 110.723 114.554 0.175 0.000 2.985 109 T HA -0.031 4.318 4.350 -0.001 0.000 0.266 109 T C 1.007 175.804 174.700 0.162 0.000 1.076 109 T CA 0.761 62.940 62.100 0.130 0.000 1.135 109 T CB -0.367 68.546 68.868 0.075 0.000 0.890 109 T HN 0.574 nan 8.240 nan 0.000 0.480 110 R N 1.092 121.793 120.500 0.335 0.000 3.758 110 R HA -0.128 4.212 4.340 -0.001 0.000 0.299 110 R C -0.586 175.799 176.300 0.142 0.000 1.182 110 R CA 0.875 57.263 56.100 0.479 0.000 0.809 110 R CB -2.264 28.283 30.300 0.411 0.000 1.249 110 R HN 0.509 nan 8.270 nan 0.000 0.497 111 D N 1.276 121.507 120.400 -0.281 0.000 2.551 111 D HA 0.032 4.671 4.640 -0.001 0.000 0.223 111 D C 1.204 176.788 176.300 -1.193 0.000 1.144 111 D CA -0.106 53.543 54.000 -0.584 0.000 1.025 111 D CB 0.497 41.017 40.800 -0.467 0.000 1.085 111 D HN 0.088 nan 8.370 nan 0.000 0.506 112 L N 3.502 124.243 121.223 -0.804 0.000 2.013 112 L HA -0.256 4.083 4.340 -0.001 0.000 0.212 112 L C 2.114 178.707 176.870 -0.462 0.000 1.073 112 L CA 1.826 56.240 54.840 -0.709 0.000 0.753 112 L CB -0.314 41.241 42.059 -0.841 0.000 0.890 112 L HN 0.313 nan 8.230 nan 0.000 0.432 113 Q N -0.643 118.937 119.800 -0.366 0.000 2.077 113 Q HA -0.194 4.146 4.340 -0.001 0.000 0.206 113 Q C 2.369 178.259 176.000 -0.184 0.000 0.989 113 Q CA 2.078 57.752 55.803 -0.215 0.000 0.853 113 Q CB -1.078 27.560 28.738 -0.166 0.000 0.907 113 Q HN 0.499 nan 8.270 nan 0.000 0.418 114 V N 0.621 120.364 119.914 -0.285 0.000 2.343 114 V HA -0.259 3.861 4.120 -0.001 0.000 0.247 114 V C 2.101 178.160 176.094 -0.059 0.000 1.051 114 V CA 1.674 63.861 62.300 -0.189 0.000 1.036 114 V CB -0.821 30.862 31.823 -0.234 0.000 0.654 114 V HN 0.247 nan 8.190 nan 0.000 0.451 115 Y N 0.779 121.060 120.300 -0.032 0.000 2.165 115 Y HA -0.202 4.348 4.550 -0.001 0.000 0.286 115 Y C 2.621 178.622 175.900 0.168 0.000 1.155 115 Y CA 1.164 59.275 58.100 0.019 0.000 1.164 115 Y CB -0.982 37.470 38.460 -0.014 0.000 0.978 115 Y HN 0.169 nan 8.280 nan 0.000 0.513 116 R N 0.285 120.947 120.500 0.271 0.000 2.120 116 R HA -0.156 4.184 4.340 -0.001 0.000 0.234 116 R C 2.026 178.467 176.300 0.236 0.000 1.123 116 R CA 1.518 57.791 56.100 0.287 0.000 0.975 116 R CB -0.297 30.057 30.300 0.089 0.000 0.866 116 R HN 0.502 nan 8.270 nan 0.000 0.446 117 E N -0.471 119.805 120.200 0.126 0.000 2.153 117 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 117 E C 1.504 178.146 176.600 0.071 0.000 0.988 117 E CA 1.072 57.517 56.400 0.075 0.000 0.811 117 E CB -0.161 29.558 29.700 0.031 0.000 0.746 117 E HN 0.393 nan 8.360 nan 0.000 0.466 118 Y N 0.614 120.876 120.300 -0.064 0.000 2.097 118 Y HA -0.293 4.256 4.550 -0.001 0.000 0.282 118 Y C 1.756 177.540 175.900 -0.194 0.000 1.152 118 Y CA 1.781 59.750 58.100 -0.218 0.000 1.136 118 Y CB -0.288 37.890 38.460 -0.470 0.000 0.975 118 Y HN -0.065 nan 8.280 nan 0.000 0.498 119 F N -0.056 120.034 119.950 0.233 0.000 2.163 119 F HA -0.035 4.492 4.527 -0.001 0.000 0.297 119 F C 2.637 178.493 175.800 0.093 0.000 1.094 119 F CA 0.961 59.093 58.000 0.219 0.000 1.290 119 F CB -1.333 37.789 39.000 0.204 0.000 1.017 119 F HN 0.135 nan 8.300 nan 0.000 0.483 120 A N 0.934 123.874 122.820 0.199 0.000 1.917 120 A HA -0.245 4.074 4.320 -0.001 0.000 0.219 120 A C 1.616 179.244 177.584 0.072 0.000 1.182 120 A CA 1.853 53.946 52.037 0.093 0.000 0.633 120 A CB -1.066 17.968 19.000 0.056 0.000 0.819 120 A HN 0.502 nan 8.150 nan 0.000 0.448 121 K N -0.425 119.989 120.400 0.023 0.000 3.001 121 K HA 0.471 4.791 4.320 -0.001 0.000 0.257 121 K C -0.353 176.231 176.600 -0.028 0.000 1.290 121 K CA -0.181 56.100 56.287 -0.010 0.000 1.252 121 K CB -0.034 32.438 32.500 -0.046 0.000 1.656 121 K HN 0.281 nan 8.250 nan 0.000 0.351 122 K N 0.814 121.257 120.400 0.071 0.000 2.598 122 K HA 0.094 4.414 4.320 -0.001 0.000 0.271 122 K C -0.925 175.796 176.600 0.201 0.000 0.947 122 K CA -0.511 55.816 56.287 0.066 0.000 0.854 122 K CB 1.807 34.295 32.500 -0.021 0.000 1.401 122 K HN 0.364 nan 8.250 nan 0.000 0.415 123 T N -0.917 113.680 114.554 0.071 0.000 2.810 123 T HA 0.254 4.604 4.350 -0.001 0.000 0.277 123 T C 0.947 175.585 174.700 -0.104 0.000 0.973 123 T CA -0.250 61.902 62.100 0.086 0.000 0.949 123 T CB 1.322 70.203 68.868 0.021 0.000 1.075 123 T HN 0.386 nan 8.240 nan 0.000 0.537 124 S N 0.149 115.805 115.700 -0.074 0.000 2.362 124 S HA -0.027 4.442 4.470 -0.001 0.000 0.221 124 S C 2.022 176.418 174.600 -0.341 0.000 1.032 124 S CA 0.912 58.888 58.200 -0.374 0.000 0.973 124 S CB -0.561 62.610 63.200 -0.048 0.000 0.849 124 S HN 0.797 nan 8.310 nan 0.000 0.465 125 E N 1.641 121.746 120.200 -0.159 0.000 2.130 125 E HA -0.155 4.195 4.350 -0.001 0.000 0.196 125 E C 1.991 178.516 176.600 -0.125 0.000 0.998 125 E CA 1.227 57.560 56.400 -0.111 0.000 0.806 125 E CB -0.213 29.452 29.700 -0.059 0.000 0.738 125 E HN 0.578 nan 8.360 nan 0.000 0.459 126 E N -0.178 119.934 120.200 -0.148 0.000 2.072 126 E HA -0.206 4.144 4.350 -0.001 0.000 0.190 126 E C 2.068 178.570 176.600 -0.164 0.000 0.982 126 E CA 0.987 57.309 56.400 -0.128 0.000 0.803 126 E CB -0.048 29.586 29.700 -0.110 0.000 0.755 126 E HN 0.091 nan 8.360 nan 0.000 0.453 127 Q N 1.004 120.614 119.800 -0.316 0.000 2.119 127 Q HA -0.134 4.205 4.340 -0.001 0.000 0.201 127 Q C 2.215 178.103 176.000 -0.187 0.000 0.972 127 Q CA 1.498 57.113 55.803 -0.314 0.000 0.847 127 Q CB -0.125 28.151 28.738 -0.770 0.000 0.903 127 Q HN 0.307 nan 8.270 nan 0.000 0.433 128 V N -1.835 117.961 119.914 -0.197 0.000 2.358 128 V HA -0.169 3.950 4.120 -0.001 0.000 0.246 128 V C 1.450 177.538 176.094 -0.011 0.000 1.047 128 V CA 2.116 64.385 62.300 -0.051 0.000 1.035 128 V CB -0.854 30.985 31.823 0.028 0.000 0.658 128 V HN 0.115 nan 8.190 nan 0.000 0.452 129 D N 0.876 121.259 120.400 -0.029 0.000 2.117 129 D HA -0.111 4.528 4.640 -0.001 0.000 0.197 129 D C 2.326 178.620 176.300 -0.009 0.000 0.987 129 D CA 2.129 56.120 54.000 -0.015 0.000 0.829 129 D CB -0.576 40.210 40.800 -0.023 0.000 0.961 129 D HN 0.529 nan 8.370 nan 0.000 0.460 130 T N -0.151 114.398 114.554 -0.008 0.000 2.737 130 T HA -0.089 4.260 4.350 -0.001 0.000 0.265 130 T C 2.178 176.899 174.700 0.034 0.000 1.038 130 T CA 0.807 62.921 62.100 0.023 0.000 1.144 130 T CB -0.362 68.541 68.868 0.059 0.000 0.866 130 T HN -0.036 nan 8.240 nan 0.000 0.434 131 V N 1.697 121.634 119.914 0.038 0.000 2.307 131 V HA -0.081 4.038 4.120 -0.001 0.000 0.245 131 V C 2.499 178.606 176.094 0.022 0.000 1.045 131 V CA 1.400 63.730 62.300 0.049 0.000 1.024 131 V CB -0.702 31.160 31.823 0.067 0.000 0.651 131 V HN 0.446 nan 8.190 nan 0.000 0.449 132 L N -0.101 121.123 121.223 0.001 0.000 2.191 132 L HA -0.209 4.130 4.340 -0.001 0.000 0.212 132 L C 2.608 179.455 176.870 -0.038 0.000 1.103 132 L CA 1.540 56.360 54.840 -0.033 0.000 0.769 132 L CB -0.570 41.459 42.059 -0.050 0.000 0.908 132 L HN 0.455 nan 8.230 nan 0.000 0.438 133 Q N 0.679 120.468 119.800 -0.018 0.000 2.033 133 Q HA -0.129 4.210 4.340 -0.001 0.000 0.196 133 Q C 2.373 178.366 176.000 -0.011 0.000 0.970 133 Q CA 1.150 56.942 55.803 -0.018 0.000 0.828 133 Q CB 0.055 28.788 28.738 -0.008 0.000 0.895 133 Q HN 0.515 nan 8.270 nan 0.000 0.440 134 L N 0.364 121.591 121.223 0.007 0.000 2.083 134 L HA -0.121 4.219 4.340 -0.001 0.000 0.209 134 L C 2.247 179.131 176.870 0.024 0.000 1.083 134 L CA 1.159 56.010 54.840 0.018 0.000 0.752 134 L CB -0.394 41.682 42.059 0.028 0.000 0.899 134 L HN 0.193 nan 8.230 nan 0.000 0.433 135 A N -1.207 121.624 122.820 0.019 0.000 2.275 135 A HA -0.021 4.299 4.320 -0.001 0.000 0.212 135 A C 0.954 178.502 177.584 -0.061 0.000 1.201 135 A CA 0.150 52.204 52.037 0.028 0.000 0.843 135 A CB -0.263 18.776 19.000 0.066 0.000 0.873 135 A HN 0.523 nan 8.150 nan 0.000 0.492 136 N N -0.715 117.940 118.700 -0.076 0.000 2.725 136 N HA -0.142 4.598 4.740 -0.001 0.000 0.251 136 N C -0.849 174.537 175.510 -0.207 0.000 1.031 136 N CA 0.954 53.929 53.050 -0.124 0.000 0.720 136 N CB -1.669 36.742 38.487 -0.126 0.000 0.930 136 N HN 0.169 nan 8.380 nan 0.000 0.543 137 V N 1.241 121.037 119.914 -0.197 0.000 2.347 137 V HA 0.282 4.402 4.120 -0.001 0.000 0.280 137 V C 1.510 177.498 176.094 -0.177 0.000 1.021 137 V CA 0.183 62.329 62.300 -0.257 0.000 0.847 137 V CB 1.437 33.110 31.823 -0.249 0.000 0.990 137 V HN 0.496 nan 8.190 nan 0.000 0.444 138 S N 2.654 118.264 115.700 -0.150 0.000 2.439 138 S HA 0.117 4.587 4.470 -0.001 0.000 0.224 138 S C 0.222 174.787 174.600 -0.058 0.000 1.029 138 S CA 0.100 58.247 58.200 -0.088 0.000 0.946 138 S CB 0.105 63.273 63.200 -0.053 0.000 0.797 138 S HN 0.723 nan 8.310 nan 0.000 0.504 139 D N 0.108 120.490 120.400 -0.030 0.000 2.879 139 D HA 0.639 5.278 4.640 -0.001 0.000 0.236 139 D C -1.676 174.594 176.300 -0.050 0.000 1.171 139 D CA -0.464 53.583 54.000 0.078 0.000 0.868 139 D CB 2.343 43.346 40.800 0.337 0.000 1.598 139 D HN 0.047 nan 8.370 nan 0.000 0.497 140 V N 2.041 121.878 119.914 -0.129 0.000 2.376 140 V HA 0.338 4.458 4.120 -0.001 0.000 0.287 140 V C -0.289 175.793 176.094 -0.020 0.000 1.015 140 V CA -0.821 61.352 62.300 -0.211 0.000 0.834 140 V CB 1.711 33.197 31.823 -0.562 0.000 1.001 140 V HN 0.376 nan 8.190 nan 0.000 0.428 141 V N 6.832 126.715 119.914 -0.051 0.000 2.461 141 V HA 0.406 4.526 4.120 -0.001 0.000 0.275 141 V C 0.421 176.442 176.094 -0.122 0.000 1.047 141 V CA -0.115 62.159 62.300 -0.043 0.000 0.955 141 V CB 1.154 32.867 31.823 -0.183 0.000 0.988 141 V HN 0.837 nan 8.190 nan 0.000 0.471 142 M N 2.929 122.469 119.600 -0.100 0.000 2.527 142 M HA 0.486 4.966 4.480 -0.001 0.000 0.283 142 M C -0.005 176.146 176.300 -0.248 0.000 1.188 142 M CA -0.387 54.758 55.300 -0.258 0.000 0.941 142 M CB 0.889 33.323 32.600 -0.277 0.000 1.498 142 M HN 0.419 nan 8.290 nan 0.000 0.510 143 T N 1.348 115.721 114.554 -0.302 0.000 2.842 143 T HA 0.388 4.737 4.350 -0.001 0.000 0.308 143 T C -0.999 173.747 174.700 0.077 0.000 1.041 143 T CA -0.728 61.306 62.100 -0.111 0.000 0.964 143 T CB -0.216 68.566 68.868 -0.144 0.000 0.972 143 T HN 0.514 nan 8.240 nan 0.000 0.460 144 N N 2.680 121.435 118.700 0.092 0.000 2.501 144 N HA 0.319 5.058 4.740 -0.001 0.000 0.245 144 N C -1.130 174.395 175.510 0.026 0.000 0.974 144 N CA -0.720 52.436 53.050 0.177 0.000 0.941 144 N CB 1.019 39.595 38.487 0.149 0.000 1.122 144 N HN 0.429 nan 8.380 nan 0.000 0.507 145 D N 2.883 123.355 120.400 0.120 0.000 2.456 145 D HA 0.166 4.806 4.640 -0.001 0.000 0.219 145 D C -1.619 174.637 176.300 -0.073 0.000 1.126 145 D CA -2.510 51.540 54.000 0.082 0.000 0.890 145 D CB 1.105 42.037 40.800 0.220 0.000 1.025 145 D HN 0.304 nan 8.370 nan 0.000 0.511 146 P HA -0.085 nan 4.420 nan 0.000 0.231 146 P C 0.724 177.668 177.300 -0.594 0.000 1.158 146 P CA 0.467 63.031 63.100 -0.893 0.000 0.763 146 P CB -0.052 30.428 31.700 -2.034 0.000 0.805 147 F N 0.174 120.118 119.950 -0.010 0.000 2.765 147 F HA 0.153 4.680 4.527 -0.001 0.000 0.302 147 F C 0.962 176.873 175.800 0.184 0.000 1.111 147 F CA -0.143 57.977 58.000 0.201 0.000 1.359 147 F CB -0.366 38.758 39.000 0.208 0.000 1.097 147 F HN -0.091 nan 8.300 nan 0.000 0.577 148 D N -0.024 120.515 120.400 0.232 0.000 2.280 148 D HA 0.052 4.692 4.640 -0.001 0.000 0.243 148 D C 0.900 177.294 176.300 0.155 0.000 1.129 148 D CA -0.127 53.989 54.000 0.194 0.000 0.848 148 D CB 0.706 41.605 40.800 0.166 0.000 1.107 148 D HN -0.090 nan 8.370 nan 0.000 0.471 149 D N 3.112 123.614 120.400 0.169 0.000 2.126 149 D HA -0.217 4.422 4.640 -0.001 0.000 0.190 149 D C 1.312 177.677 176.300 0.108 0.000 1.001 149 D CA 1.066 55.156 54.000 0.150 0.000 0.841 149 D CB 0.010 40.899 40.800 0.148 0.000 0.949 149 D HN 0.516 nan 8.370 nan 0.000 0.446 150 N N 0.935 119.687 118.700 0.087 0.000 2.104 150 N HA -0.140 4.600 4.740 -0.001 0.000 0.190 150 N C 1.733 177.283 175.510 0.066 0.000 1.024 150 N CA 0.887 53.970 53.050 0.055 0.000 0.853 150 N CB -0.160 38.343 38.487 0.027 0.000 1.008 150 N HN 0.490 nan 8.380 nan 0.000 0.424 151 E N 0.752 121.011 120.200 0.099 0.000 2.046 151 E HA -0.129 4.221 4.350 -0.001 0.000 0.190 151 E C 2.128 178.917 176.600 0.315 0.000 0.982 151 E CA 0.474 56.987 56.400 0.189 0.000 0.800 151 E CB -0.114 29.718 29.700 0.220 0.000 0.756 151 E HN 0.289 nan 8.360 nan 0.000 0.449 152 R N 1.333 121.955 120.500 0.203 0.000 2.096 152 R HA -0.170 4.169 4.340 -0.001 0.000 0.240 152 R C 2.277 178.729 176.300 0.254 0.000 1.139 152 R CA 1.467 57.694 56.100 0.212 0.000 0.952 152 R CB -0.321 29.981 30.300 0.003 0.000 0.854 152 R HN 0.134 nan 8.270 nan 0.000 0.436 153 I N 0.636 121.291 120.570 0.142 0.000 2.361 153 I HA -0.239 3.930 4.170 -0.001 0.000 0.251 153 I C 2.193 178.348 176.117 0.062 0.000 1.133 153 I CA 1.160 62.513 61.300 0.089 0.000 1.413 153 I CB -0.160 37.873 38.000 0.054 0.000 1.073 153 I HN 0.222 nan 8.210 nan 0.000 0.424 154 S N -0.085 115.645 115.700 0.050 0.000 2.356 154 S HA -0.191 4.278 4.470 -0.001 0.000 0.223 154 S C 1.582 176.106 174.600 -0.127 0.000 1.032 154 S CA 1.402 59.531 58.200 -0.119 0.000 1.005 154 S CB -0.364 62.711 63.200 -0.208 0.000 0.867 154 S HN 0.453 nan 8.310 nan 0.000 0.449 155 W N 1.806 123.143 121.300 0.062 0.000 2.381 155 W HA 0.085 4.745 4.660 -0.001 0.000 0.301 155 W C 1.980 178.502 176.519 0.006 0.000 1.205 155 W CA 0.358 57.766 57.345 0.106 0.000 1.285 155 W CB -0.633 29.023 29.460 0.327 0.000 1.133 155 W HN 0.208 nan 8.180 nan 0.000 0.521 156 L N -0.005 121.357 121.223 0.232 0.000 2.131 156 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 156 L C 1.825 178.696 176.870 0.001 0.000 1.092 156 L CA 1.341 56.215 54.840 0.057 0.000 0.759 156 L CB -0.683 41.397 42.059 0.035 0.000 0.903 156 L HN 0.070 nan 8.230 nan 0.000 0.435 157 E N -0.502 119.688 120.200 -0.017 0.000 2.502 157 E HA 0.035 4.385 4.350 -0.001 0.000 0.194 157 E C 1.291 177.838 176.600 -0.088 0.000 1.062 157 E CA 0.484 56.849 56.400 -0.059 0.000 0.867 157 E CB 0.300 29.954 29.700 -0.077 0.000 0.888 157 E HN 0.560 nan 8.360 nan 0.000 0.510 158 G N 1.771 110.518 108.800 -0.087 0.000 2.168 158 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.197 158 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.197 158 G C 0.054 174.832 174.900 -0.204 0.000 0.997 158 G CA -0.536 44.501 45.100 -0.105 0.000 0.658 158 G HN -0.013 nan 8.290 nan 0.000 0.513 159 K N 1.158 121.338 120.400 -0.367 0.000 2.447 159 K HA 0.255 4.575 4.320 -0.001 0.000 0.281 159 K C 0.141 176.384 176.600 -0.594 0.000 1.031 159 K CA 0.485 56.377 56.287 -0.658 0.000 1.019 159 K CB 0.636 32.401 32.500 -1.225 0.000 0.918 159 K HN 0.370 nan 8.250 nan 0.000 0.476 160 Q N 3.200 122.784 119.800 -0.360 0.000 2.353 160 Q HA 0.406 4.745 4.340 -0.001 0.000 0.268 160 Q C -2.299 173.725 176.000 0.040 0.000 1.045 160 Q CA -2.084 53.641 55.803 -0.130 0.000 0.811 160 Q CB 2.044 30.755 28.738 -0.046 0.000 1.305 160 Q HN 0.397 nan 8.270 nan 0.000 0.447 161 P HA 0.045 nan 4.420 nan 0.000 0.277 161 P C -0.680 176.672 177.300 0.087 0.000 1.240 161 P CA -0.291 62.903 63.100 0.157 0.000 0.798 161 P CB 0.858 32.609 31.700 0.086 0.000 0.979 162 D N -0.684 119.771 120.400 0.091 0.000 2.414 162 D HA -0.006 4.634 4.640 -0.001 0.000 0.251 162 D C 1.499 177.839 176.300 0.067 0.000 1.252 162 D CA -0.465 53.584 54.000 0.081 0.000 0.999 162 D CB -0.212 40.645 40.800 0.096 0.000 1.093 162 D HN 0.194 nan 8.370 nan 0.000 0.515 163 S N -0.824 114.890 115.700 0.023 0.000 2.423 163 S HA -0.247 4.223 4.470 -0.001 0.000 0.238 163 S C 1.623 176.174 174.600 -0.083 0.000 1.028 163 S CA 1.282 59.461 58.200 -0.034 0.000 1.000 163 S CB -0.356 62.833 63.200 -0.018 0.000 0.797 163 S HN 0.487 nan 8.310 nan 0.000 0.487 164 R N -1.169 119.325 120.500 -0.010 0.000 2.276 164 R HA 0.220 4.560 4.340 -0.001 0.000 0.196 164 R C -0.434 175.688 176.300 -0.296 0.000 0.961 164 R CA 0.244 56.280 56.100 -0.105 0.000 1.024 164 R CB 0.077 30.303 30.300 -0.123 0.000 0.940 164 R HN 0.339 nan 8.270 nan 0.000 0.480 165 F N 0.238 120.070 119.950 -0.195 0.000 2.458 165 F HA 0.327 4.853 4.527 -0.001 0.000 0.336 165 F C 0.092 175.711 175.800 -0.302 0.000 1.114 165 F CA -1.114 56.798 58.000 -0.145 0.000 0.987 165 F CB 1.372 40.308 39.000 -0.107 0.000 1.130 165 F HN -0.082 nan 8.300 nan 0.000 0.458 166 H N 0.923 120.114 119.070 0.202 0.000 2.569 166 H HA 0.731 5.287 4.556 -0.001 0.000 0.357 166 H C -0.466 174.940 175.328 0.130 0.000 1.153 166 H CA -1.061 55.104 56.048 0.195 0.000 1.193 166 H CB 1.448 31.363 29.762 0.254 0.000 1.602 166 H HN 0.718 nan 8.280 nan 0.000 0.523 167 A N 1.300 124.272 122.820 0.252 0.000 2.293 167 A HA 0.762 5.081 4.320 -0.001 0.000 0.302 167 A C -0.437 177.102 177.584 -0.075 0.000 1.119 167 A CA -0.126 52.001 52.037 0.149 0.000 0.823 167 A CB 0.216 19.358 19.000 0.237 0.000 1.097 167 A HN 0.822 nan 8.150 nan 0.000 0.491 168 A N 1.539 124.258 122.820 -0.169 0.000 2.385 168 A HA 0.540 4.860 4.320 -0.001 0.000 0.290 168 A C -0.847 176.625 177.584 -0.187 0.000 1.094 168 A CA -0.489 51.329 52.037 -0.366 0.000 0.729 168 A CB 0.721 19.394 19.000 -0.544 0.000 1.194 168 A HN 1.484 nan 8.150 nan 0.000 0.442 169 L N 2.796 123.921 121.223 -0.163 0.000 2.462 169 L HA 0.433 4.773 4.340 -0.001 0.000 0.283 169 L C 0.515 177.380 176.870 -0.008 0.000 1.166 169 L CA -0.020 54.739 54.840 -0.134 0.000 0.964 169 L CB -0.324 41.643 42.059 -0.153 0.000 1.294 169 L HN 0.643 nan 8.230 nan 0.000 0.449 170 R N 4.031 124.548 120.500 0.027 0.000 2.401 170 R HA 0.285 4.625 4.340 -0.001 0.000 0.299 170 R C -0.091 176.320 176.300 0.185 0.000 1.064 170 R CA 0.336 56.513 56.100 0.128 0.000 1.000 170 R CB 0.234 30.628 30.300 0.158 0.000 0.973 170 R HN 0.782 nan 8.270 nan 0.000 0.438 171 L N 3.550 124.897 121.223 0.207 0.000 3.066 171 L HA 0.236 4.576 4.340 -0.001 0.000 0.265 171 L C 0.385 177.322 176.870 0.113 0.000 1.232 171 L CA -0.285 54.702 54.840 0.244 0.000 1.031 171 L CB 0.500 42.701 42.059 0.237 0.000 1.379 171 L HN 0.603 nan 8.230 nan 0.000 0.563 172 D N 1.521 121.979 120.400 0.098 0.000 2.133 172 D HA -0.182 4.457 4.640 -0.001 0.000 0.192 172 D C -0.583 175.673 176.300 -0.074 0.000 1.001 172 D CA 1.690 55.717 54.000 0.045 0.000 0.844 172 D CB -1.069 39.786 40.800 0.091 0.000 0.944 172 D HN 0.231 nan 8.370 nan 0.000 0.447 173 P HA -0.095 nan 4.420 nan 0.000 0.216 173 P C 1.693 178.716 177.300 -0.463 0.000 1.153 173 P CA 0.633 63.467 63.100 -0.444 0.000 0.848 173 P CB 0.031 31.245 31.700 -0.810 0.000 0.787 174 L N -1.336 119.538 121.223 -0.580 0.000 2.017 174 L HA -0.135 4.205 4.340 -0.001 0.000 0.208 174 L C 1.921 178.791 176.870 -0.000 0.000 1.073 174 L CA 2.074 56.798 54.840 -0.194 0.000 0.745 174 L CB -1.288 40.802 42.059 0.053 0.000 0.894 174 L HN -0.151 nan 8.230 nan 0.000 0.432 175 L N -0.315 120.907 121.223 -0.002 0.000 2.209 175 L HA 0.013 4.353 4.340 -0.001 0.000 0.207 175 L C 1.890 178.785 176.870 0.041 0.000 1.094 175 L CA 1.086 55.943 54.840 0.029 0.000 0.790 175 L CB -0.816 41.291 42.059 0.080 0.000 0.932 175 L HN 0.345 nan 8.230 nan 0.000 0.447 176 N N -0.565 118.152 118.700 0.029 0.000 2.282 176 N HA 0.054 4.793 4.740 -0.001 0.000 0.185 176 N C 0.094 175.621 175.510 0.028 0.000 1.099 176 N CA 0.261 53.337 53.050 0.044 0.000 0.878 176 N CB 0.481 39.001 38.487 0.055 0.000 0.993 176 N HN 0.405 nan 8.380 nan 0.000 0.481 177 E N -0.460 119.740 120.200 -0.000 0.000 3.729 177 E HA 0.066 4.415 4.350 -0.001 0.000 0.195 177 E C -0.226 176.361 176.600 -0.022 0.000 1.005 177 E CA -0.228 56.163 56.400 -0.015 0.000 1.356 177 E CB 0.132 29.802 29.700 -0.049 0.000 1.138 177 E HN 0.096 nan 8.360 nan 0.000 0.450 178 Y N 2.097 122.334 120.300 -0.105 0.000 2.315 178 Y HA -0.232 4.317 4.550 -0.001 0.000 0.288 178 Y C 1.943 177.772 175.900 -0.119 0.000 1.154 178 Y CA 1.650 59.681 58.100 -0.114 0.000 1.229 178 Y CB 0.347 38.748 38.460 -0.098 0.000 0.980 178 Y HN 0.096 nan 8.280 nan 0.000 0.540 179 E N 0.015 120.129 120.200 -0.143 0.000 2.077 179 E HA -0.217 4.133 4.350 -0.001 0.000 0.193 179 E C 1.984 178.429 176.600 -0.259 0.000 0.989 179 E CA 1.631 57.905 56.400 -0.209 0.000 0.800 179 E CB -0.199 29.467 29.700 -0.056 0.000 0.746 179 E HN 0.596 nan 8.360 nan 0.000 0.452 180 Q N -0.610 119.105 119.800 -0.142 0.000 2.163 180 Q HA 0.046 4.386 4.340 -0.001 0.000 0.198 180 Q C 2.149 178.069 176.000 -0.133 0.000 0.954 180 Q CA 1.238 57.013 55.803 -0.046 0.000 0.851 180 Q CB -0.310 28.421 28.738 -0.012 0.000 0.928 180 Q HN 0.131 nan 8.270 nan 0.000 0.459 181 T N 1.699 116.120 114.554 -0.223 0.000 2.821 181 T HA -0.139 4.211 4.350 -0.001 0.000 0.267 181 T C 1.525 176.023 174.700 -0.337 0.000 1.046 181 T CA 1.457 63.416 62.100 -0.234 0.000 1.139 181 T CB -0.171 68.551 68.868 -0.243 0.000 0.871 181 T HN 0.455 nan 8.240 nan 0.000 0.454 182 K N 0.890 120.913 120.400 -0.629 0.000 2.152 182 K HA -0.205 4.115 4.320 -0.001 0.000 0.206 182 K C 1.812 178.156 176.600 -0.427 0.000 1.048 182 K CA 1.586 57.469 56.287 -0.673 0.000 0.933 182 K CB -0.489 31.365 32.500 -1.077 0.000 0.721 182 K HN 0.384 nan 8.250 nan 0.000 0.447 183 H N 1.100 120.014 119.070 -0.261 0.000 2.457 183 H HA 0.048 4.604 4.556 -0.001 0.000 0.294 183 H C 1.860 177.018 175.328 -0.283 0.000 1.064 183 H CA 1.177 57.099 56.048 -0.210 0.000 1.330 183 H CB 0.061 29.724 29.762 -0.166 0.000 1.395 183 H HN 0.348 nan 8.280 nan 0.000 0.541 184 R N -0.007 120.315 120.500 -0.297 0.000 2.173 184 R HA 0.096 4.435 4.340 -0.001 0.000 0.208 184 R C 2.383 178.084 176.300 -0.998 0.000 1.035 184 R CA 0.139 55.806 56.100 -0.723 0.000 1.004 184 R CB 0.142 29.998 30.300 -0.740 0.000 0.917 184 R HN 0.185 nan 8.270 nan 0.000 0.462 185 L N 1.129 122.095 121.223 -0.429 0.000 2.093 185 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 185 L C 2.589 179.547 176.870 0.146 0.000 1.085 185 L CA 1.395 56.225 54.840 -0.016 0.000 0.755 185 L CB -0.395 41.669 42.059 0.008 0.000 0.904 185 L HN 0.224 nan 8.230 nan 0.000 0.435 186 R N -0.477 120.019 120.500 -0.008 0.000 2.090 186 R HA -0.109 4.231 4.340 -0.001 0.000 0.228 186 R C 1.446 177.747 176.300 0.002 0.000 1.110 186 R CA 1.331 57.452 56.100 0.034 0.000 0.973 186 R CB -0.695 29.615 30.300 0.017 0.000 0.869 186 R HN 0.241 nan 8.270 nan 0.000 0.440 187 D N 0.457 120.782 120.400 -0.125 0.000 2.221 187 D HA -0.151 4.489 4.640 -0.001 0.000 0.204 187 D C 1.025 177.379 176.300 0.089 0.000 0.982 187 D CA 0.870 54.809 54.000 -0.102 0.000 0.857 187 D CB -0.086 40.559 40.800 -0.258 0.000 0.934 187 D HN 0.419 nan 8.370 nan 0.000 0.475 188 W N 0.060 121.449 121.300 0.149 0.000 3.388 188 W HA 0.394 5.054 4.660 -0.000 0.000 0.324 188 W C 1.464 177.938 176.519 -0.074 0.000 1.250 188 W CA 0.375 57.806 57.345 0.143 0.000 1.809 188 W CB -0.376 29.307 29.460 0.371 0.000 1.083 188 W HN 0.087 nan 8.180 nan 0.000 0.685 189 G N -0.267 108.577 108.800 0.074 0.000 2.213 189 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.236 189 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.236 189 G C -0.227 174.546 174.900 -0.212 0.000 0.991 189 G CA -0.398 44.625 45.100 -0.129 0.000 0.629 189 G HN 0.178 nan 8.290 nan 0.000 0.517 190 Y N 2.135 122.553 120.300 0.197 0.000 2.539 190 Y HA 0.441 4.991 4.550 -0.001 0.000 0.352 190 Y C 1.116 177.075 175.900 0.098 0.000 1.004 190 Y CA -0.530 57.671 58.100 0.169 0.000 1.278 190 Y CB 0.859 39.459 38.460 0.233 0.000 1.136 190 Y HN -0.111 nan 8.280 nan 0.000 0.528 191 K N 3.732 124.229 120.400 0.161 0.000 3.245 191 K HA 0.081 4.401 4.320 -0.001 0.000 0.285 191 K C -0.224 176.434 176.600 0.095 0.000 1.156 191 K CA -0.140 56.206 56.287 0.098 0.000 1.162 191 K CB -1.086 31.449 32.500 0.058 0.000 1.365 191 K HN 0.517 nan 8.250 nan 0.000 0.316 192 V N -0.396 119.593 119.914 0.124 0.000 2.572 192 V HA 0.112 4.232 4.120 -0.001 0.000 0.291 192 V C 0.605 176.745 176.094 0.076 0.000 1.039 192 V CA -0.855 61.514 62.300 0.115 0.000 1.055 192 V CB 0.387 32.331 31.823 0.202 0.000 0.969 192 V HN 0.228 nan 8.190 nan 0.000 0.482 193 N N 3.380 122.116 118.700 0.060 0.000 2.431 193 N HA 0.208 4.947 4.740 -0.001 0.000 0.289 193 N C 0.493 176.053 175.510 0.083 0.000 1.277 193 N CA -0.073 53.009 53.050 0.053 0.000 0.972 193 N CB 0.686 39.188 38.487 0.026 0.000 1.143 193 N HN 0.780 nan 8.380 nan 0.000 0.578 194 D N -0.407 120.036 120.400 0.072 0.000 2.162 194 D HA -0.075 4.564 4.640 -0.001 0.000 0.203 194 D C 0.313 176.689 176.300 0.128 0.000 0.967 194 D CA 1.103 55.153 54.000 0.083 0.000 0.840 194 D CB 0.142 40.980 40.800 0.064 0.000 0.972 194 D HN 0.618 nan 8.370 nan 0.000 0.482 195 E N -0.222 120.050 120.200 0.120 0.000 2.222 195 E HA 0.056 4.405 4.350 -0.001 0.000 0.272 195 E C -0.681 176.039 176.600 0.201 0.000 0.982 195 E CA -0.964 55.528 56.400 0.154 0.000 0.842 195 E CB 0.993 30.754 29.700 0.102 0.000 1.144 195 E HN 0.116 nan 8.360 nan 0.000 0.397 196 W N 5.534 126.863 121.300 0.049 0.000 2.351 196 W HA 0.063 4.722 4.660 -0.001 0.000 0.421 196 W C -1.111 175.424 176.519 0.027 0.000 1.000 196 W CA -0.226 57.139 57.345 0.035 0.000 1.610 196 W CB -0.092 29.372 29.460 0.007 0.000 1.700 196 W HN 0.730 nan 8.180 nan 0.000 0.351 197 N N 0.907 119.451 118.700 -0.260 0.000 2.653 197 N HA 0.145 4.884 4.740 -0.001 0.000 0.294 197 N C 0.691 175.999 175.510 -0.337 0.000 1.305 197 N CA -0.531 52.392 53.050 -0.211 0.000 0.827 197 N CB 0.338 38.772 38.487 -0.088 0.000 1.415 197 N HN 0.078 nan 8.380 nan 0.000 0.546 198 E N -0.355 119.729 120.200 -0.193 0.000 2.114 198 E HA -0.140 4.210 4.350 -0.001 0.000 0.199 198 E C 1.717 178.208 176.600 -0.182 0.000 1.008 198 E CA 2.310 58.610 56.400 -0.167 0.000 0.810 198 E CB -0.971 28.680 29.700 -0.081 0.000 0.739 198 E HN 0.767 nan 8.360 nan 0.000 0.456 199 G N -0.786 107.925 108.800 -0.148 0.000 2.421 199 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.216 199 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.216 199 G C 1.829 176.638 174.900 -0.152 0.000 1.171 199 G CA 1.037 46.072 45.100 -0.107 0.000 0.775 199 G HN 0.340 nan 8.290 nan 0.000 0.543 200 S N 0.558 116.095 115.700 -0.271 0.000 2.368 200 S HA -0.031 4.438 4.470 -0.001 0.000 0.224 200 S C 2.284 176.548 174.600 -0.559 0.000 1.029 200 S CA 0.894 58.882 58.200 -0.354 0.000 0.988 200 S CB -0.224 62.700 63.200 -0.460 0.000 0.838 200 S HN 0.377 nan 8.310 nan 0.000 0.462 201 I N 1.613 121.699 120.570 -0.807 0.000 2.163 201 I HA -0.219 3.951 4.170 -0.001 0.000 0.243 201 I C 2.744 178.754 176.117 -0.178 0.000 1.085 201 I CA 1.105 62.058 61.300 -0.578 0.000 1.347 201 I CB -0.368 37.374 38.000 -0.429 0.000 1.044 201 I HN 0.248 nan 8.210 nan 0.000 0.408 202 Q N 0.460 120.184 119.800 -0.126 0.000 2.124 202 Q HA -0.184 4.155 4.340 -0.001 0.000 0.202 202 Q C 2.130 178.165 176.000 0.059 0.000 0.977 202 Q CA 1.323 57.117 55.803 -0.014 0.000 0.850 202 Q CB -0.289 28.443 28.738 -0.010 0.000 0.901 202 Q HN 0.513 nan 8.270 nan 0.000 0.429 203 E N 0.032 120.272 120.200 0.067 0.000 2.106 203 E HA -0.079 4.270 4.350 -0.001 0.000 0.192 203 E C 2.220 178.956 176.600 0.227 0.000 0.984 203 E CA 0.595 57.118 56.400 0.206 0.000 0.806 203 E CB -0.067 29.764 29.700 0.218 0.000 0.750 203 E HN 0.129 nan 8.360 nan 0.000 0.458 204 V N 1.751 121.754 119.914 0.147 0.000 2.407 204 V HA -0.242 3.878 4.120 -0.001 0.000 0.248 204 V C 2.300 178.516 176.094 0.204 0.000 1.055 204 V CA 1.625 64.040 62.300 0.191 0.000 1.049 204 V CB -0.373 31.593 31.823 0.239 0.000 0.662 204 V HN 0.202 nan 8.190 nan 0.000 0.455 205 K N -0.288 120.200 120.400 0.147 0.000 2.026 205 K HA -0.166 4.154 4.320 -0.001 0.000 0.208 205 K C 2.448 179.124 176.600 0.128 0.000 1.048 205 K CA 1.379 57.739 56.287 0.121 0.000 0.929 205 K CB -0.261 32.294 32.500 0.091 0.000 0.713 205 K HN 0.296 nan 8.250 nan 0.000 0.439 206 R N 0.035 120.636 120.500 0.169 0.000 2.103 206 R HA -0.178 4.162 4.340 -0.001 0.000 0.242 206 R C 2.252 178.667 176.300 0.191 0.000 1.142 206 R CA 1.676 57.905 56.100 0.214 0.000 0.960 206 R CB -0.372 30.131 30.300 0.339 0.000 0.858 206 R HN 0.177 nan 8.270 nan 0.000 0.439 207 F N 1.342 121.223 119.950 -0.116 0.000 2.095 207 F HA -0.216 4.311 4.527 -0.001 0.000 0.298 207 F C 1.838 177.638 175.800 -0.000 0.000 1.104 207 F CA 1.561 59.316 58.000 -0.408 0.000 1.232 207 F CB -0.291 38.365 39.000 -0.573 0.000 0.987 207 F HN -0.057 nan 8.300 nan 0.000 0.475 208 L N -0.783 120.441 121.223 0.001 0.000 2.027 208 L HA -0.204 4.136 4.340 -0.001 0.000 0.206 208 L C 2.370 179.152 176.870 -0.147 0.000 1.074 208 L CA 1.754 56.542 54.840 -0.086 0.000 0.745 208 L CB -1.321 40.741 42.059 0.005 0.000 0.898 208 L HN 0.110 nan 8.230 nan 0.000 0.433 209 T N -0.790 113.703 114.554 -0.102 0.000 2.746 209 T HA -0.175 4.175 4.350 -0.001 0.000 0.267 209 T C 1.461 176.082 174.700 -0.131 0.000 1.039 209 T CA 1.512 63.534 62.100 -0.131 0.000 1.142 209 T CB -0.254 68.617 68.868 0.005 0.000 0.866 209 T HN 0.311 nan 8.240 nan 0.000 0.444 210 D N 0.113 120.433 120.400 -0.132 0.000 2.117 210 D HA -0.080 4.560 4.640 -0.001 0.000 0.197 210 D C 1.679 177.741 176.300 -0.397 0.000 0.987 210 D CA 0.952 54.811 54.000 -0.235 0.000 0.829 210 D CB -0.338 40.324 40.800 -0.231 0.000 0.961 210 D HN 0.564 nan 8.370 nan 0.000 0.460 211 W N 0.861 121.932 121.300 -0.382 0.000 2.519 211 W HA 0.125 4.785 4.660 -0.001 0.000 0.266 211 W C 2.272 178.574 176.519 -0.362 0.000 1.253 211 W CA -0.047 57.029 57.345 -0.448 0.000 1.274 211 W CB -0.170 28.893 29.460 -0.661 0.000 1.114 211 W HN -0.069 nan 8.180 nan 0.000 0.596 212 I N 0.059 120.555 120.570 -0.123 0.000 2.353 212 I HA -0.218 3.952 4.170 -0.001 0.000 0.248 212 I C 1.941 178.000 176.117 -0.096 0.000 1.119 212 I CA 1.304 62.514 61.300 -0.149 0.000 1.417 212 I CB -0.327 37.495 38.000 -0.296 0.000 1.078 212 I HN 0.025 nan 8.210 nan 0.000 0.421 213 E N 0.550 120.691 120.200 -0.100 0.000 2.072 213 E HA -0.224 4.126 4.350 -0.001 0.000 0.191 213 E C 2.248 178.818 176.600 -0.049 0.000 0.985 213 E CA 0.828 57.196 56.400 -0.053 0.000 0.801 213 E CB -0.110 29.553 29.700 -0.062 0.000 0.750 213 E HN 0.334 nan 8.360 nan 0.000 0.452 214 R N 0.314 120.744 120.500 -0.117 0.000 2.092 214 R HA -0.031 4.309 4.340 -0.001 0.000 0.231 214 R C 2.096 178.436 176.300 0.067 0.000 1.119 214 R CA 1.287 57.343 56.100 -0.073 0.000 0.970 214 R CB 0.106 30.231 30.300 -0.292 0.000 0.864 214 R HN 0.155 nan 8.270 nan 0.000 0.440 215 M N -0.922 118.633 119.600 -0.075 0.000 2.545 215 M HA 0.028 4.507 4.480 -0.001 0.000 0.264 215 M C -0.012 176.326 176.300 0.063 0.000 1.155 215 M CA 0.403 55.613 55.300 -0.150 0.000 1.162 215 M CB 0.495 32.763 32.600 -0.554 0.000 1.330 215 M HN 0.019 nan 8.290 nan 0.000 0.479 216 D N 1.484 121.898 120.400 0.023 0.000 2.697 216 D HA -0.092 4.548 4.640 -0.001 0.000 0.238 216 D C -2.300 174.038 176.300 0.063 0.000 1.152 216 D CA 0.068 54.102 54.000 0.056 0.000 0.666 216 D CB -0.343 40.519 40.800 0.104 0.000 1.037 216 D HN 0.174 nan 8.370 nan 0.000 0.423 217 P HA 0.046 nan 4.420 nan 0.000 0.272 217 P C 1.421 178.713 177.300 -0.014 0.000 1.223 217 P CA -0.088 62.989 63.100 -0.038 0.000 0.784 217 P CB 1.294 32.920 31.700 -0.124 0.000 0.923 218 V N -0.489 119.399 119.914 -0.042 0.000 2.871 218 V HA 0.033 4.153 4.120 -0.001 0.000 0.256 218 V C 0.475 176.599 176.094 0.050 0.000 1.082 218 V CA 1.005 63.321 62.300 0.026 0.000 1.105 218 V CB -1.935 29.958 31.823 0.116 0.000 0.713 218 V HN 0.678 nan 8.190 nan 0.000 0.473 219 Y N -3.657 116.658 120.300 0.025 0.000 2.687 219 Y HA 0.714 5.263 4.550 -0.001 0.000 0.338 219 Y C -1.104 174.804 175.900 0.014 0.000 1.189 219 Y CA -2.447 55.653 58.100 0.000 0.000 1.097 219 Y CB 0.590 39.050 38.460 0.001 0.000 1.342 219 Y HN -0.048 nan 8.280 nan 0.000 0.461 220 M N 2.650 122.437 119.600 0.312 0.000 2.318 220 M HA 0.820 5.300 4.480 -0.001 0.000 0.347 220 M C -0.262 176.305 176.300 0.445 0.000 1.175 220 M CA -0.569 54.885 55.300 0.256 0.000 1.075 220 M CB 1.757 34.437 32.600 0.133 0.000 1.614 220 M HN 0.938 nan 8.290 nan 0.000 0.456 221 A N 2.381 125.404 122.820 0.339 0.000 2.485 221 A HA 0.966 5.286 4.320 -0.001 0.000 0.292 221 A C -1.503 176.196 177.584 0.192 0.000 1.147 221 A CA -0.765 51.419 52.037 0.245 0.000 0.750 221 A CB 2.162 21.307 19.000 0.241 0.000 1.331 221 A HN 0.676 nan 8.150 nan 0.000 0.419 222 V N 0.506 120.449 119.914 0.048 0.000 3.036 222 V HA 0.601 4.721 4.120 -0.001 0.000 0.288 222 V C -0.739 175.320 176.094 -0.058 0.000 1.407 222 V CA 0.148 62.478 62.300 0.050 0.000 0.983 222 V CB 2.308 34.203 31.823 0.121 0.000 1.128 222 V HN 1.810 nan 8.190 nan 0.000 0.439 223 S N 6.994 122.716 115.700 0.037 0.000 2.508 223 S HA 0.876 5.346 4.470 -0.001 0.000 0.284 223 S C -0.751 173.891 174.600 0.069 0.000 1.192 223 S CA -0.642 57.612 58.200 0.090 0.000 1.070 223 S CB 1.333 64.722 63.200 0.314 0.000 1.004 223 S HN 0.779 nan 8.310 nan 0.000 0.493 224 L N 2.978 124.220 121.223 0.031 0.000 2.323 224 L HA 0.678 5.018 4.340 -0.001 0.000 0.265 224 L C -2.313 174.613 176.870 0.093 0.000 1.012 224 L CA -2.726 52.107 54.840 -0.010 0.000 0.820 224 L CB 2.598 44.474 42.059 -0.305 0.000 1.334 224 L HN 0.501 nan 8.230 nan 0.000 0.427 225 P HA 0.260 nan 4.420 nan 0.000 0.278 225 P C -2.504 174.871 177.300 0.124 0.000 1.258 225 P CA -1.779 61.391 63.100 0.118 0.000 0.811 225 P CB 0.796 32.566 31.700 0.117 0.000 1.063 226 P HA -0.121 nan 4.420 nan 0.000 0.219 226 P C 1.276 178.625 177.300 0.082 0.000 1.146 226 P CA 2.024 65.155 63.100 0.051 0.000 0.808 226 P CB -0.594 31.100 31.700 -0.010 0.000 0.779 227 T N -5.035 109.574 114.554 0.092 0.000 3.169 227 T HA 0.055 4.405 4.350 -0.001 0.000 0.250 227 T C 0.342 175.108 174.700 0.109 0.000 1.111 227 T CA -0.505 61.641 62.100 0.077 0.000 1.010 227 T CB -1.219 67.679 68.868 0.051 0.000 0.984 227 T HN -0.122 nan 8.240 nan 0.000 0.537 228 F N 3.312 123.278 119.950 0.027 0.000 2.607 228 F HA 0.402 4.929 4.527 -0.001 0.000 0.374 228 F C -0.065 175.762 175.800 0.045 0.000 1.104 228 F CA -0.202 57.823 58.000 0.042 0.000 1.296 228 F CB 0.257 39.285 39.000 0.047 0.000 1.085 228 F HN 0.081 nan 8.300 nan 0.000 0.584 229 S N 5.776 120.928 115.700 -0.913 0.000 2.588 229 S HA 0.741 5.211 4.470 -0.001 0.000 0.275 229 S C -1.765 172.372 174.600 -0.773 0.000 1.130 229 S CA -0.611 57.159 58.200 -0.716 0.000 0.855 229 S CB 2.015 65.022 63.200 -0.323 0.000 1.116 229 S HN 0.617 nan 8.310 nan 0.000 0.472 230 F N 1.742 121.327 119.950 -0.607 0.000 2.639 230 F HA 0.496 5.023 4.527 -0.001 0.000 0.320 230 F C -3.026 172.522 175.800 -0.420 0.000 1.128 230 F CA -1.274 56.476 58.000 -0.416 0.000 1.037 230 F CB 1.247 40.086 39.000 -0.268 0.000 1.288 230 F HN 0.357 nan 8.300 nan 0.000 0.463 231 P HA 0.287 nan 4.420 nan 0.000 0.271 231 P C -1.618 175.265 177.300 -0.696 0.000 1.244 231 P CA 0.011 62.333 63.100 -1.297 0.000 0.793 231 P CB 0.665 31.822 31.700 -0.905 0.000 0.984 232 E N 0.079 119.922 120.200 -0.596 0.000 2.381 232 E HA 0.101 4.451 4.350 -0.001 0.000 0.286 232 E C -1.149 175.291 176.600 -0.266 0.000 0.960 232 E CA -0.448 55.749 56.400 -0.339 0.000 0.793 232 E CB 0.976 30.516 29.700 -0.266 0.000 1.225 232 E HN 0.208 nan 8.360 nan 0.000 0.420 233 E N 2.315 122.398 120.200 -0.195 0.000 1.856 233 E HA 0.210 4.560 4.350 -0.001 0.000 0.263 233 E C -0.857 175.660 176.600 -0.137 0.000 1.137 233 E CA 0.088 56.392 56.400 -0.158 0.000 1.007 233 E CB 0.490 30.121 29.700 -0.115 0.000 1.117 233 E HN 0.486 nan 8.360 nan 0.000 0.438 234 S N 0.824 116.425 115.700 -0.165 0.000 2.671 234 S HA 0.378 4.848 4.470 -0.001 0.000 0.277 234 S C 0.742 175.210 174.600 -0.221 0.000 1.165 234 S CA -0.856 57.262 58.200 -0.137 0.000 0.822 234 S CB 1.092 64.240 63.200 -0.088 0.000 1.150 234 S HN 0.112 nan 8.310 nan 0.000 0.479 235 N N 0.722 119.305 118.700 -0.195 0.000 2.188 235 N HA -0.066 4.673 4.740 -0.001 0.000 0.184 235 N C 1.724 177.019 175.510 -0.360 0.000 1.018 235 N CA 1.153 53.992 53.050 -0.351 0.000 0.858 235 N CB -0.537 37.867 38.487 -0.138 0.000 0.989 235 N HN 0.663 nan 8.380 nan 0.000 0.426 236 R N 0.641 121.053 120.500 -0.146 0.000 2.070 236 R HA -0.074 4.265 4.340 -0.001 0.000 0.233 236 R C 2.283 178.577 176.300 -0.010 0.000 1.137 236 R CA 1.761 57.842 56.100 -0.033 0.000 0.945 236 R CB -0.656 29.709 30.300 0.107 0.000 0.845 236 R HN 0.192 nan 8.270 nan 0.000 0.430 237 G N 0.186 108.970 108.800 -0.026 0.000 2.442 237 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.219 237 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.219 237 G C 1.444 176.288 174.900 -0.093 0.000 1.141 237 G CA 0.680 45.772 45.100 -0.013 0.000 0.763 237 G HN 0.314 nan 8.290 nan 0.000 0.554 238 R N -0.435 119.875 120.500 -0.316 0.000 2.093 238 R HA 0.197 4.536 4.340 -0.001 0.000 0.224 238 R C 2.589 178.643 176.300 -0.410 0.000 1.101 238 R CA 0.574 56.396 56.100 -0.463 0.000 0.979 238 R CB -0.254 29.444 30.300 -1.003 0.000 0.877 238 R HN 0.370 nan 8.270 nan 0.000 0.441 239 I N 0.668 120.923 120.570 -0.525 0.000 2.226 239 I HA -0.282 3.887 4.170 -0.001 0.000 0.245 239 I C 2.214 178.298 176.117 -0.055 0.000 1.100 239 I CA 1.399 62.528 61.300 -0.285 0.000 1.374 239 I CB -0.183 37.621 38.000 -0.327 0.000 1.057 239 I HN 0.125 nan 8.210 nan 0.000 0.413 240 I N 0.239 120.798 120.570 -0.019 0.000 2.202 240 I HA -0.287 3.882 4.170 -0.001 0.000 0.242 240 I C 2.821 178.953 176.117 0.025 0.000 1.091 240 I CA 1.280 62.571 61.300 -0.014 0.000 1.368 240 I CB -0.379 37.692 38.000 0.119 0.000 1.058 240 I HN 0.192 nan 8.210 nan 0.000 0.410 241 R N 0.798 121.421 120.500 0.205 0.000 2.075 241 R HA -0.164 4.175 4.340 -0.001 0.000 0.232 241 R C 1.556 177.965 176.300 0.181 0.000 1.126 241 R CA 1.866 58.118 56.100 0.253 0.000 0.963 241 R CB -0.039 30.441 30.300 0.300 0.000 0.858 241 R HN 0.326 nan 8.270 nan 0.000 0.435 242 D N -0.996 119.525 120.400 0.201 0.000 2.301 242 D HA 0.003 4.642 4.640 -0.001 0.000 0.206 242 D C 1.549 177.968 176.300 0.199 0.000 0.979 242 D CA 0.651 54.803 54.000 0.253 0.000 0.874 242 D CB 0.312 41.386 40.800 0.458 0.000 0.968 242 D HN 0.311 nan 8.370 nan 0.000 0.510 243 C N 0.117 119.520 119.300 0.171 0.000 2.463 243 C HA 0.197 4.656 4.460 -0.001 0.000 0.322 243 C C 2.392 177.387 174.990 0.007 0.000 1.556 243 C CA -0.407 58.681 59.018 0.117 0.000 2.225 243 C CB -0.366 27.488 27.740 0.189 0.000 1.995 243 C HN 0.214 nan 8.230 nan 0.000 0.678 244 L N 1.785 122.962 121.223 -0.076 0.000 1.970 244 L HA -0.115 4.224 4.340 -0.001 0.000 0.212 244 L C 2.288 178.994 176.870 -0.274 0.000 1.071 244 L CA 2.184 56.883 54.840 -0.235 0.000 0.751 244 L CB -1.294 40.499 42.059 -0.443 0.000 0.889 244 L HN 0.408 nan 8.230 nan 0.000 0.432 245 L N -0.189 120.861 121.223 -0.288 0.000 1.989 245 L HA -0.204 4.135 4.340 -0.001 0.000 0.211 245 L C 0.048 176.842 176.870 -0.128 0.000 1.071 245 L CA 1.511 56.180 54.840 -0.285 0.000 0.749 245 L CB -2.123 39.684 42.059 -0.420 0.000 0.890 245 L HN 0.237 nan 8.230 nan 0.000 0.431 246 P HA -0.138 nan 4.420 nan 0.000 0.215 246 P C 1.985 179.302 177.300 0.028 0.000 1.153 246 P CA 1.170 64.285 63.100 0.026 0.000 0.853 246 P CB 0.078 31.813 31.700 0.059 0.000 0.788 247 V N 0.019 119.944 119.914 0.018 0.000 2.358 247 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 247 V C 2.440 178.576 176.094 0.070 0.000 1.047 247 V CA 2.194 64.535 62.300 0.068 0.000 1.035 247 V CB -1.684 30.137 31.823 -0.003 0.000 0.658 247 V HN 0.089 nan 8.190 nan 0.000 0.452 248 A N -0.599 122.187 122.820 -0.058 0.000 1.908 248 A HA -0.287 4.033 4.320 -0.001 0.000 0.218 248 A C 2.297 179.852 177.584 -0.047 0.000 1.181 248 A CA 2.099 54.082 52.037 -0.090 0.000 0.627 248 A CB -0.490 18.383 19.000 -0.211 0.000 0.818 248 A HN 0.621 nan 8.150 nan 0.000 0.445 249 E N -0.282 119.892 120.200 -0.043 0.000 2.072 249 E HA -0.216 4.134 4.350 -0.001 0.000 0.191 249 E C 2.101 178.698 176.600 -0.005 0.000 0.985 249 E CA 1.364 57.748 56.400 -0.027 0.000 0.801 249 E CB -0.133 29.568 29.700 0.002 0.000 0.750 249 E HN 0.633 nan 8.360 nan 0.000 0.452 250 K N -0.289 120.125 120.400 0.024 0.000 2.026 250 K HA -0.183 4.137 4.320 -0.001 0.000 0.208 250 K C 1.517 178.042 176.600 -0.125 0.000 1.048 250 K CA 1.775 58.036 56.287 -0.043 0.000 0.929 250 K CB -0.128 32.344 32.500 -0.047 0.000 0.713 250 K HN 0.219 nan 8.250 nan 0.000 0.439 251 H N -0.053 118.992 119.070 -0.042 0.000 2.533 251 H HA 0.141 4.697 4.556 -0.001 0.000 0.271 251 H C -0.062 175.233 175.328 -0.056 0.000 1.000 251 H CA 0.561 56.584 56.048 -0.041 0.000 1.149 251 H CB -0.237 29.502 29.762 -0.038 0.000 1.375 251 H HN 0.383 nan 8.280 nan 0.000 0.582 252 N N 0.645 119.355 118.700 0.017 0.000 2.721 252 N HA -0.192 4.547 4.740 -0.001 0.000 0.249 252 N C -0.954 174.515 175.510 -0.068 0.000 1.072 252 N CA -0.140 52.881 53.050 -0.048 0.000 0.710 252 N CB -0.790 37.662 38.487 -0.058 0.000 0.993 252 N HN 0.334 nan 8.380 nan 0.000 0.547 253 I N 1.514 122.059 120.570 -0.043 0.000 2.331 253 I HA 0.337 4.507 4.170 -0.001 0.000 0.292 253 I C -1.808 174.249 176.117 -0.099 0.000 0.998 253 I CA -1.890 59.379 61.300 -0.051 0.000 1.267 253 I CB 1.299 39.290 38.000 -0.016 0.000 1.386 253 I HN -0.012 nan 8.210 nan 0.000 0.476 254 P HA 0.040 nan 4.420 nan 0.000 0.274 254 P C -0.950 176.365 177.300 0.027 0.000 1.231 254 P CA -0.167 62.844 63.100 -0.147 0.000 0.790 254 P CB 0.848 32.423 31.700 -0.209 0.000 0.951 255 F N 2.122 121.919 119.950 -0.256 0.000 2.404 255 F HA 0.543 5.070 4.527 -0.001 0.000 0.354 255 F C -0.540 175.213 175.800 -0.079 0.000 1.122 255 F CA -1.820 56.078 58.000 -0.171 0.000 1.080 255 F CB 0.605 39.432 39.000 -0.287 0.000 1.131 255 F HN 0.353 nan 8.300 nan 0.000 0.471 256 A N 8.343 131.053 122.820 -0.184 0.000 2.252 256 A HA 0.647 4.967 4.320 -0.001 0.000 0.309 256 A C -0.585 176.651 177.584 -0.580 0.000 1.285 256 A CA -0.595 51.201 52.037 -0.401 0.000 0.900 256 A CB 0.032 18.666 19.000 -0.611 0.000 1.157 256 A HN 0.792 nan 8.150 nan 0.000 0.536 257 M N 3.701 122.970 119.600 -0.553 0.000 2.114 257 M HA 0.386 4.866 4.480 -0.001 0.000 0.332 257 M C -0.669 175.360 176.300 -0.452 0.000 1.014 257 M CA 0.284 55.229 55.300 -0.592 0.000 0.956 257 M CB 1.450 33.677 32.600 -0.621 0.000 1.551 257 M HN 0.597 nan 8.290 nan 0.000 0.427 258 M N 5.640 124.962 119.600 -0.464 0.000 2.060 258 M HA 0.486 4.966 4.480 -0.001 0.000 0.342 258 M C -0.943 175.236 176.300 -0.203 0.000 1.031 258 M CA -0.260 54.662 55.300 -0.629 0.000 0.981 258 M CB 0.354 32.284 32.600 -1.117 0.000 1.376 258 M HN 0.603 nan 8.290 nan 0.000 0.397 259 I N 1.384 121.920 120.570 -0.057 0.000 2.385 259 I HA 0.582 4.752 4.170 -0.001 0.000 0.294 259 I C 1.064 177.325 176.117 0.239 0.000 0.988 259 I CA -0.035 61.311 61.300 0.076 0.000 1.265 259 I CB 1.567 39.550 38.000 -0.030 0.000 1.388 259 I HN 0.972 nan 8.210 nan 0.000 0.480 260 G N 4.005 112.909 108.800 0.172 0.000 2.260 260 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.179 260 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.179 260 G C -0.172 174.710 174.900 -0.031 0.000 1.002 260 G CA -0.226 44.914 45.100 0.066 0.000 0.677 260 G HN 0.505 nan 8.290 nan 0.000 0.486 261 V N 1.548 121.491 119.914 0.048 0.000 2.498 261 V HA 0.667 4.786 4.120 -0.001 0.000 0.279 261 V C 0.340 176.445 176.094 0.018 0.000 1.048 261 V CA -0.172 62.102 62.300 -0.043 0.000 0.967 261 V CB 1.384 33.277 31.823 0.117 0.000 0.988 261 V HN 0.261 nan 8.190 nan 0.000 0.473 262 K N 7.058 127.447 120.400 -0.019 0.000 2.347 262 K HA 0.388 4.708 4.320 -0.001 0.000 0.262 262 K C -0.214 176.446 176.600 0.101 0.000 1.052 262 K CA -0.627 55.693 56.287 0.054 0.000 0.946 262 K CB 0.486 33.029 32.500 0.072 0.000 1.220 262 K HN 0.651 nan 8.250 nan 0.000 0.450 263 K N 3.305 123.774 120.400 0.114 0.000 2.382 263 K HA 0.062 4.382 4.320 -0.001 0.000 0.275 263 K C -0.111 176.558 176.600 0.114 0.000 1.009 263 K CA -0.067 56.298 56.287 0.131 0.000 0.970 263 K CB 0.564 33.142 32.500 0.129 0.000 0.934 263 K HN 0.648 nan 8.250 nan 0.000 0.479 264 R N -0.261 120.311 120.500 0.119 0.000 3.333 264 R HA -0.155 4.185 4.340 -0.001 0.000 0.256 264 R C 1.011 177.370 176.300 0.099 0.000 1.010 264 R CA 0.528 56.691 56.100 0.105 0.000 0.680 264 R CB -2.487 27.863 30.300 0.084 0.000 1.102 264 R HN 0.611 nan 8.270 nan 0.000 0.440 265 V N -3.534 116.440 119.914 0.101 0.000 3.380 265 V HA -0.016 4.103 4.120 -0.001 0.000 0.268 265 V C 0.905 177.038 176.094 0.066 0.000 1.168 265 V CA 1.582 63.913 62.300 0.051 0.000 1.156 265 V CB -0.325 31.495 31.823 -0.004 0.000 0.785 265 V HN 0.588 nan 8.190 nan 0.000 0.487 266 H N 0.642 119.710 119.070 -0.003 0.000 2.661 266 H HA 0.312 4.868 4.556 -0.001 0.000 0.243 266 H C -2.054 173.301 175.328 0.046 0.000 1.410 266 H CA -1.224 54.826 56.048 0.003 0.000 1.509 266 H CB 1.893 31.644 29.762 -0.018 0.000 1.761 266 H HN 0.109 nan 8.280 nan 0.000 0.576 267 P HA -0.233 nan 4.420 nan 0.000 0.217 267 P C 1.380 178.743 177.300 0.104 0.000 1.148 267 P CA 1.664 64.838 63.100 0.122 0.000 0.834 267 P CB 0.258 32.018 31.700 0.100 0.000 0.783 268 A N -0.038 122.879 122.820 0.161 0.000 1.972 268 A HA -0.103 4.216 4.320 -0.001 0.000 0.219 268 A C 2.356 180.055 177.584 0.191 0.000 1.169 268 A CA 1.079 53.212 52.037 0.160 0.000 0.635 268 A CB -1.473 17.658 19.000 0.217 0.000 0.810 268 A HN 0.177 nan 8.150 nan 0.000 0.446 269 L N -1.323 119.866 121.223 -0.056 0.000 2.465 269 L HA 0.108 4.447 4.340 -0.001 0.000 0.224 269 L C 1.824 178.856 176.870 0.271 0.000 1.145 269 L CA 0.367 55.259 54.840 0.087 0.000 0.834 269 L CB -0.867 41.078 42.059 -0.190 0.000 0.944 269 L HN 0.670 nan 8.230 nan 0.000 0.451 270 G N 0.612 109.469 108.800 0.094 0.000 2.556 270 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.283 270 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.283 270 G C 0.464 175.360 174.900 -0.008 0.000 1.177 270 G CA 0.285 45.371 45.100 -0.023 0.000 0.978 270 G HN 0.248 nan 8.290 nan 0.000 0.554 271 D N 1.151 121.514 120.400 -0.063 0.000 2.311 271 D HA 0.099 4.739 4.640 -0.001 0.000 0.212 271 D C 2.387 178.445 176.300 -0.403 0.000 0.972 271 D CA 1.645 55.502 54.000 -0.239 0.000 0.887 271 D CB -0.445 40.163 40.800 -0.319 0.000 0.915 271 D HN 0.867 nan 8.370 nan 0.000 0.497 272 A N 0.150 122.924 122.820 -0.076 0.000 2.307 272 A HA 0.338 4.658 4.320 -0.001 0.000 0.218 272 A C 1.828 179.493 177.584 0.135 0.000 1.228 272 A CA 0.450 52.562 52.037 0.125 0.000 0.857 272 A CB 0.028 19.177 19.000 0.247 0.000 0.897 272 A HN 0.183 nan 8.150 nan 0.000 0.495 273 G N -0.466 108.392 108.800 0.097 0.000 3.523 273 G HA2 0.288 4.248 3.960 -0.001 0.000 0.270 273 G HA3 0.288 4.248 3.960 -0.001 0.000 0.270 273 G C -0.531 174.463 174.900 0.156 0.000 1.134 273 G CA -0.203 44.962 45.100 0.108 0.000 0.825 273 G HN 0.283 nan 8.290 nan 0.000 0.534 274 D N 0.095 120.627 120.400 0.219 0.000 2.175 274 D HA 0.486 5.126 4.640 -0.001 0.000 0.248 274 D C -0.773 175.628 176.300 0.169 0.000 1.047 274 D CA -0.300 53.821 54.000 0.202 0.000 0.883 274 D CB 2.210 43.177 40.800 0.280 0.000 1.180 274 D HN -0.009 nan 8.370 nan 0.000 0.438 275 F N 1.142 121.025 119.950 -0.113 0.000 2.629 275 F HA 0.625 5.152 4.527 -0.001 0.000 0.386 275 F C -0.809 174.834 175.800 -0.262 0.000 1.135 275 F CA -1.217 56.635 58.000 -0.247 0.000 1.116 275 F CB 1.177 40.067 39.000 -0.183 0.000 1.426 275 F HN 0.080 nan 8.300 nan 0.000 0.501 276 V N 0.533 119.749 119.914 -1.164 0.000 3.040 276 V HA 0.939 5.058 4.120 -0.001 0.000 0.312 276 V C -0.899 174.665 176.094 -0.883 0.000 1.115 276 V CA -0.040 61.757 62.300 -0.837 0.000 0.998 276 V CB 1.765 33.187 31.823 -0.668 0.000 1.042 276 V HN 1.097 nan 8.190 nan 0.000 0.433 277 G N 2.961 111.497 108.800 -0.441 0.000 2.733 277 G HA2 0.431 4.391 3.960 -0.001 0.000 0.297 277 G HA3 0.431 4.391 3.960 -0.001 0.000 0.297 277 G C -1.617 173.186 174.900 -0.162 0.000 1.422 277 G CA -0.810 44.114 45.100 -0.294 0.000 0.942 277 G HN 0.871 nan 8.290 nan 0.000 0.510 278 K N 0.560 120.887 120.400 -0.121 0.000 2.350 278 K HA 0.585 4.904 4.320 -0.001 0.000 0.279 278 K C 0.310 176.893 176.600 -0.028 0.000 1.027 278 K CA -0.132 56.115 56.287 -0.066 0.000 0.969 278 K CB 0.841 33.308 32.500 -0.056 0.000 0.954 278 K HN 0.640 nan 8.250 nan 0.000 0.474 279 A N 2.408 125.228 122.820 0.001 0.000 2.322 279 A HA 0.372 4.691 4.320 -0.001 0.000 0.327 279 A C -0.593 177.011 177.584 0.033 0.000 1.134 279 A CA -0.656 51.401 52.037 0.034 0.000 0.831 279 A CB 1.437 20.483 19.000 0.076 0.000 1.288 279 A HN 0.723 nan 8.150 nan 0.000 0.472 280 S N 0.183 115.907 115.700 0.041 0.000 2.584 280 S HA 0.350 4.820 4.470 -0.001 0.000 0.273 280 S C 0.787 175.416 174.600 0.049 0.000 1.311 280 S CA -0.495 57.724 58.200 0.030 0.000 1.034 280 S CB 0.228 63.436 63.200 0.013 0.000 0.939 280 S HN 0.493 nan 8.310 nan 0.000 0.513 281 M N 2.590 122.215 119.600 0.040 0.000 2.556 281 M HA 0.105 4.584 4.480 -0.001 0.000 0.245 281 M C 0.835 177.167 176.300 0.054 0.000 1.128 281 M CA 0.359 55.688 55.300 0.048 0.000 1.069 281 M CB -1.480 31.143 32.600 0.039 0.000 1.469 281 M HN 0.611 nan 8.290 nan 0.000 0.494 282 D N 1.114 121.540 120.400 0.044 0.000 2.133 282 D HA -0.149 4.490 4.640 -0.001 0.000 0.192 282 D C 2.078 178.419 176.300 0.068 0.000 1.001 282 D CA 1.895 55.923 54.000 0.047 0.000 0.844 282 D CB -0.535 40.276 40.800 0.018 0.000 0.944 282 D HN 0.439 nan 8.370 nan 0.000 0.447 283 G N 0.309 109.133 108.800 0.040 0.000 2.418 283 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.217 283 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.217 283 G C 1.834 176.816 174.900 0.136 0.000 1.158 283 G CA 0.928 46.064 45.100 0.059 0.000 0.771 283 G HN 0.272 nan 8.290 nan 0.000 0.545 284 V N 0.739 120.715 119.914 0.103 0.000 2.358 284 V HA -0.148 3.971 4.120 -0.001 0.000 0.246 284 V C 2.545 178.559 176.094 -0.134 0.000 1.047 284 V CA 2.099 64.376 62.300 -0.037 0.000 1.035 284 V CB -0.378 31.423 31.823 -0.036 0.000 0.658 284 V HN 0.564 nan 8.190 nan 0.000 0.452 285 E N 0.006 120.187 120.200 -0.031 0.000 2.085 285 E HA -0.325 4.025 4.350 -0.001 0.000 0.194 285 E C 2.180 178.698 176.600 -0.137 0.000 0.994 285 E CA 1.979 58.353 56.400 -0.044 0.000 0.801 285 E CB -0.176 29.575 29.700 0.084 0.000 0.743 285 E HN 0.819 nan 8.360 nan 0.000 0.453 286 H N 0.146 119.176 119.070 -0.066 0.000 2.299 286 H HA -0.064 4.491 4.556 -0.001 0.000 0.302 286 H C 2.243 177.553 175.328 -0.029 0.000 1.078 286 H CA 1.930 57.980 56.048 0.003 0.000 1.323 286 H CB -0.169 29.688 29.762 0.158 0.000 1.381 286 H HN 0.114 nan 8.280 nan 0.000 0.498 287 L N -0.075 121.183 121.223 0.059 0.000 2.013 287 L HA -0.246 4.094 4.340 -0.001 0.000 0.212 287 L C 2.563 179.235 176.870 -0.329 0.000 1.073 287 L CA 1.438 56.210 54.840 -0.114 0.000 0.753 287 L CB -0.494 41.242 42.059 -0.539 0.000 0.890 287 L HN 0.354 nan 8.230 nan 0.000 0.432 288 L N -0.860 119.958 121.223 -0.675 0.000 2.046 288 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 288 L C 2.828 179.279 176.870 -0.698 0.000 1.077 288 L CA 1.337 55.727 54.840 -0.750 0.000 0.747 288 L CB -0.545 40.863 42.059 -1.086 0.000 0.896 288 L HN 0.266 nan 8.230 nan 0.000 0.432 289 R N 0.138 120.151 120.500 -0.813 0.000 2.062 289 R HA -0.126 4.214 4.340 -0.001 0.000 0.229 289 R C 2.058 178.199 176.300 -0.266 0.000 1.128 289 R CA 1.217 57.053 56.100 -0.441 0.000 0.960 289 R CB 0.043 30.192 30.300 -0.251 0.000 0.855 289 R HN 0.238 nan 8.270 nan 0.000 0.432 290 E N -0.231 119.741 120.200 -0.380 0.000 2.358 290 E HA -0.111 4.239 4.350 -0.001 0.000 0.195 290 E C -0.114 176.129 176.600 -0.594 0.000 1.010 290 E CA 0.780 56.886 56.400 -0.489 0.000 0.856 290 E CB 0.206 29.484 29.700 -0.704 0.000 0.795 290 E HN 0.448 nan 8.360 nan 0.000 0.504 291 Y N 0.667 120.975 120.300 0.013 0.000 2.495 291 Y HA 0.208 4.757 4.550 -0.001 0.000 0.362 291 Y C -1.568 174.417 175.900 0.142 0.000 0.956 291 Y CA -2.140 56.032 58.100 0.120 0.000 1.127 291 Y CB 1.077 39.681 38.460 0.241 0.000 1.173 291 Y HN -0.035 nan 8.280 nan 0.000 0.639 292 P HA -0.142 nan 4.420 nan 0.000 0.222 292 P C 0.080 177.464 177.300 0.141 0.000 1.147 292 P CA 1.426 64.609 63.100 0.140 0.000 0.790 292 P CB 0.379 32.131 31.700 0.087 0.000 0.780 293 N N -1.005 117.774 118.700 0.132 0.000 2.336 293 N HA 0.038 4.777 4.740 -0.001 0.000 0.189 293 N C 0.005 175.544 175.510 0.048 0.000 1.113 293 N CA -0.194 52.905 53.050 0.082 0.000 0.858 293 N CB -0.160 38.368 38.487 0.070 0.000 0.970 293 N HN 0.193 nan 8.380 nan 0.000 0.471 294 N N 0.542 119.291 118.700 0.082 0.000 2.417 294 N HA 0.270 5.010 4.740 -0.001 0.000 0.300 294 N C -1.009 174.406 175.510 -0.159 0.000 1.102 294 N CA -0.423 52.559 53.050 -0.113 0.000 0.886 294 N CB 1.411 39.758 38.487 -0.233 0.000 1.203 294 N HN -0.090 nan 8.380 nan 0.000 0.496 295 K N 1.378 121.568 120.400 -0.349 0.000 2.182 295 K HA 0.473 4.793 4.320 -0.001 0.000 0.262 295 K C -1.171 175.277 176.600 -0.254 0.000 0.957 295 K CA -0.422 55.741 56.287 -0.207 0.000 0.842 295 K CB 1.262 33.406 32.500 -0.593 0.000 1.099 295 K HN 0.366 nan 8.250 nan 0.000 0.438 296 F N 2.434 122.573 119.950 0.315 0.000 2.507 296 F HA 0.411 4.938 4.527 -0.001 0.000 0.325 296 F C -0.253 175.683 175.800 0.227 0.000 1.116 296 F CA -0.962 57.157 58.000 0.199 0.000 0.930 296 F CB 1.269 40.314 39.000 0.074 0.000 1.146 296 F HN 0.106 nan 8.300 nan 0.000 0.447 297 L N 4.343 125.716 121.223 0.250 0.000 2.287 297 L HA 0.746 5.086 4.340 -0.001 0.000 0.287 297 L C -0.945 176.003 176.870 0.131 0.000 1.022 297 L CA -0.774 54.166 54.840 0.167 0.000 0.814 297 L CB 1.597 43.614 42.059 -0.070 0.000 1.217 297 L HN 0.371 nan 8.230 nan 0.000 0.420 298 V N 1.923 121.871 119.914 0.055 0.000 2.876 298 V HA 0.652 4.771 4.120 -0.001 0.000 0.312 298 V C -0.337 175.415 176.094 -0.570 0.000 1.085 298 V CA -0.508 61.668 62.300 -0.206 0.000 0.945 298 V CB 2.339 34.066 31.823 -0.159 0.000 1.017 298 V HN 0.736 nan 8.190 nan 0.000 0.428 299 T N 4.772 118.904 114.554 -0.704 0.000 2.956 299 T HA 0.717 5.067 4.350 -0.001 0.000 0.312 299 T C -1.127 173.403 174.700 -0.284 0.000 1.151 299 T CA -0.399 61.272 62.100 -0.715 0.000 1.024 299 T CB 1.289 69.390 68.868 -1.278 0.000 1.140 299 T HN 0.559 nan 8.240 nan 0.000 0.473 300 M N 4.193 123.765 119.600 -0.046 0.000 2.602 300 M HA 0.468 4.948 4.480 -0.001 0.000 0.312 300 M C 0.193 176.653 176.300 0.267 0.000 1.181 300 M CA -0.867 54.506 55.300 0.122 0.000 0.910 300 M CB 2.242 34.856 32.600 0.024 0.000 1.723 300 M HN 0.506 nan 8.290 nan 0.000 0.459 301 L N 0.797 122.179 121.223 0.265 0.000 2.270 301 L HA 0.186 4.525 4.340 -0.001 0.000 0.210 301 L C 0.974 177.825 176.870 -0.032 0.000 1.104 301 L CA 1.195 56.061 54.840 0.044 0.000 0.804 301 L CB 0.213 42.128 42.059 -0.241 0.000 0.937 301 L HN 0.705 nan 8.230 nan 0.000 0.450 302 S N -0.676 115.001 115.700 -0.038 0.000 2.523 302 S HA 0.113 4.583 4.470 -0.001 0.000 0.275 302 S C 1.444 176.020 174.600 -0.040 0.000 1.281 302 S CA -0.464 57.691 58.200 -0.076 0.000 1.050 302 S CB 0.751 63.897 63.200 -0.090 0.000 0.937 302 S HN 0.373 nan 8.310 nan 0.000 0.492 303 R N 2.519 122.990 120.500 -0.047 0.000 2.105 303 R HA -0.109 4.231 4.340 -0.001 0.000 0.239 303 R C 0.906 177.193 176.300 -0.021 0.000 1.135 303 R CA 1.883 57.968 56.100 -0.026 0.000 0.967 303 R CB -0.209 30.072 30.300 -0.031 0.000 0.861 303 R HN 0.670 nan 8.270 nan 0.000 0.442 304 E N -0.184 119.996 120.200 -0.034 0.000 2.472 304 E HA -0.071 4.279 4.350 -0.001 0.000 0.200 304 E C 0.873 177.469 176.600 -0.007 0.000 1.046 304 E CA 0.838 57.224 56.400 -0.024 0.000 0.871 304 E CB -0.076 29.602 29.700 -0.038 0.000 0.806 304 E HN 0.496 nan 8.360 nan 0.000 0.533 305 N N -0.622 118.073 118.700 -0.008 0.000 2.388 305 N HA -0.046 4.693 4.740 -0.001 0.000 0.176 305 N C 1.279 176.787 175.510 -0.004 0.000 1.062 305 N CA -0.102 52.947 53.050 -0.001 0.000 0.895 305 N CB 0.316 38.800 38.487 -0.005 0.000 1.018 305 N HN -0.025 nan 8.380 nan 0.000 0.456 306 Q N 0.614 120.412 119.800 -0.004 0.000 2.045 306 Q HA -0.246 4.093 4.340 -0.001 0.000 0.206 306 Q C 1.835 177.813 176.000 -0.037 0.000 0.991 306 Q CA 1.512 57.301 55.803 -0.023 0.000 0.851 306 Q CB -0.905 27.824 28.738 -0.015 0.000 0.911 306 Q HN 0.585 nan 8.270 nan 0.000 0.418 307 H N 1.443 120.475 119.070 -0.063 0.000 2.321 307 H HA -0.105 4.451 4.556 -0.001 0.000 0.300 307 H C 1.753 177.043 175.328 -0.063 0.000 1.087 307 H CA 1.829 57.836 56.048 -0.068 0.000 1.319 307 H CB 0.306 30.034 29.762 -0.058 0.000 1.379 307 H HN 0.527 nan 8.280 nan 0.000 0.501 308 E N 0.439 120.646 120.200 0.012 0.000 2.268 308 E HA -0.130 4.220 4.350 -0.001 0.000 0.195 308 E C 2.357 178.904 176.600 -0.089 0.000 0.995 308 E CA 0.730 57.117 56.400 -0.022 0.000 0.836 308 E CB -0.360 29.369 29.700 0.049 0.000 0.763 308 E HN 0.322 nan 8.360 nan 0.000 0.491 309 L N 1.330 122.496 121.223 -0.095 0.000 2.093 309 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 309 L C 2.227 179.014 176.870 -0.138 0.000 1.085 309 L CA 1.129 55.912 54.840 -0.095 0.000 0.755 309 L CB -0.141 41.861 42.059 -0.094 0.000 0.904 309 L HN 0.004 nan 8.230 nan 0.000 0.435 310 V N -1.218 118.566 119.914 -0.216 0.000 2.307 310 V HA -0.251 3.869 4.120 -0.001 0.000 0.245 310 V C 2.502 178.458 176.094 -0.231 0.000 1.045 310 V CA 1.636 63.782 62.300 -0.256 0.000 1.024 310 V CB -0.586 31.029 31.823 -0.346 0.000 0.651 310 V HN 0.321 nan 8.190 nan 0.000 0.449 311 V N -0.192 119.556 119.914 -0.275 0.000 2.392 311 V HA -0.253 3.866 4.120 -0.001 0.000 0.249 311 V C 2.392 178.414 176.094 -0.121 0.000 1.059 311 V CA 2.009 64.191 62.300 -0.196 0.000 1.051 311 V CB -0.636 31.088 31.823 -0.165 0.000 0.658 311 V HN 0.491 nan 8.190 nan 0.000 0.455 312 L N 0.850 122.027 121.223 -0.077 0.000 2.083 312 L HA -0.042 4.298 4.340 -0.001 0.000 0.209 312 L C 2.434 179.317 176.870 0.022 0.000 1.083 312 L CA 2.200 57.045 54.840 0.009 0.000 0.752 312 L CB -0.937 41.155 42.059 0.055 0.000 0.899 312 L HN 0.233 nan 8.230 nan 0.000 0.433 313 A N -0.724 122.078 122.820 -0.031 0.000 2.019 313 A HA -0.190 4.130 4.320 -0.001 0.000 0.219 313 A C 2.392 179.945 177.584 -0.050 0.000 1.164 313 A CA 1.451 53.475 52.037 -0.021 0.000 0.644 313 A CB -0.510 18.451 19.000 -0.065 0.000 0.805 313 A HN 0.482 nan 8.150 nan 0.000 0.449 314 R N -0.539 119.901 120.500 -0.100 0.000 2.148 314 R HA -0.053 4.286 4.340 -0.001 0.000 0.227 314 R C 1.600 177.795 176.300 -0.175 0.000 1.103 314 R CA 1.132 57.162 56.100 -0.118 0.000 0.983 314 R CB -0.048 30.178 30.300 -0.125 0.000 0.874 314 R HN 0.316 nan 8.270 nan 0.000 0.451 315 K N -0.253 119.984 120.400 -0.273 0.000 2.186 315 K HA 0.055 4.375 4.320 -0.001 0.000 0.202 315 K C 0.072 176.186 176.600 -0.812 0.000 1.052 315 K CA 0.806 56.731 56.287 -0.603 0.000 0.965 315 K CB 0.319 32.286 32.500 -0.889 0.000 0.746 315 K HN 0.003 nan 8.250 nan 0.000 0.457 316 F N 0.724 120.670 119.950 -0.006 0.000 2.499 316 F HA 0.148 4.675 4.527 -0.001 0.000 0.333 316 F C 1.175 177.001 175.800 0.044 0.000 1.138 316 F CA -0.939 57.074 58.000 0.021 0.000 0.945 316 F CB 1.762 40.773 39.000 0.019 0.000 1.181 316 F HN -0.143 nan 8.300 nan 0.000 0.435 317 S N 0.178 116.013 115.700 0.224 0.000 2.522 317 S HA -0.143 4.327 4.470 -0.001 0.000 0.227 317 S C 1.201 175.961 174.600 0.268 0.000 0.986 317 S CA 0.769 59.079 58.200 0.183 0.000 0.929 317 S CB -0.459 62.826 63.200 0.140 0.000 0.769 317 S HN 0.702 nan 8.310 nan 0.000 0.529 318 N N 1.224 120.122 118.700 0.330 0.000 2.383 318 N HA 0.102 4.842 4.740 -0.001 0.000 0.192 318 N C -0.015 175.794 175.510 0.499 0.000 1.141 318 N CA -0.187 53.115 53.050 0.420 0.000 0.851 318 N CB -0.305 38.397 38.487 0.359 0.000 0.976 318 N HN 0.475 nan 8.380 nan 0.000 0.465 319 L N 0.780 122.189 121.223 0.310 0.000 2.296 319 L HA 0.609 4.949 4.340 -0.001 0.000 0.286 319 L C -0.911 175.922 176.870 -0.062 0.000 1.023 319 L CA -0.728 54.221 54.840 0.181 0.000 0.812 319 L CB 1.557 43.698 42.059 0.137 0.000 1.223 319 L HN 0.054 nan 8.230 nan 0.000 0.421 320 M N 7.354 126.792 119.600 -0.269 0.000 2.142 320 M HA 0.529 5.008 4.480 -0.001 0.000 0.299 320 M C -1.136 175.069 176.300 -0.157 0.000 0.960 320 M CA -0.717 54.296 55.300 -0.478 0.000 0.920 320 M CB 1.143 32.927 32.600 -1.361 0.000 1.541 320 M HN 0.546 nan 8.290 nan 0.000 0.429 321 I N 2.528 123.063 120.570 -0.059 0.000 2.577 321 I HA 0.854 5.023 4.170 -0.001 0.000 0.300 321 I C -1.253 174.925 176.117 0.101 0.000 0.990 321 I CA -0.698 60.583 61.300 -0.032 0.000 1.283 321 I CB 1.126 39.073 38.000 -0.089 0.000 1.411 321 I HN 0.777 nan 8.210 nan 0.000 0.515 322 F N 2.425 122.351 119.950 -0.040 0.000 2.619 322 F HA 0.889 5.416 4.527 -0.001 0.000 0.308 322 F C 0.025 175.880 175.800 0.091 0.000 1.097 322 F CA -0.357 57.652 58.000 0.015 0.000 0.953 322 F CB 0.747 39.704 39.000 -0.073 0.000 1.287 322 F HN 1.071 nan 8.300 nan 0.000 0.446 323 G N 0.503 109.495 108.800 0.320 0.000 2.939 323 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.278 323 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.278 323 G C -1.041 173.935 174.900 0.128 0.000 1.487 323 G CA -0.485 44.808 45.100 0.321 0.000 0.935 323 G HN 1.417 nan 8.290 nan 0.000 0.553 324 C N 0.311 119.666 119.300 0.093 0.000 2.621 324 C HA 0.393 4.853 4.460 -0.001 0.000 0.272 324 C C 0.278 175.373 174.990 0.175 0.000 1.119 324 C CA -0.806 58.272 59.018 0.101 0.000 1.593 324 C CB -0.841 26.931 27.740 0.054 0.000 1.749 324 C HN 0.654 nan 8.230 nan 0.000 0.420 325 W N 4.020 125.369 121.300 0.082 0.000 2.308 325 W HA 0.332 4.992 4.660 -0.001 0.000 0.324 325 W C 0.865 177.533 176.519 0.248 0.000 1.387 325 W CA 0.251 57.721 57.345 0.209 0.000 1.250 325 W CB 0.098 29.701 29.460 0.237 0.000 1.257 325 W HN 0.832 nan 8.180 nan 0.000 0.554 326 W N 4.083 125.353 121.300 -0.050 0.000 2.476 326 W HA -0.463 4.196 4.660 -0.001 0.000 0.312 326 W C 1.503 177.797 176.519 -0.375 0.000 1.723 326 W CA 2.348 59.428 57.345 -0.442 0.000 1.771 326 W CB -2.159 26.523 29.460 -1.296 0.000 0.916 326 W HN 0.396 nan 8.180 nan 0.000 0.471 327 F N 0.677 120.606 119.950 -0.035 0.000 2.546 327 F HA -0.121 4.405 4.527 -0.001 0.000 0.298 327 F C 2.406 178.187 175.800 -0.032 0.000 1.120 327 F CA 1.681 59.603 58.000 -0.131 0.000 1.456 327 F CB -0.883 37.901 39.000 -0.361 0.000 1.088 327 F HN -0.141 nan 8.300 nan 0.000 0.572 328 M N -1.077 118.598 119.600 0.126 0.000 2.514 328 M HA 0.030 4.510 4.480 -0.001 0.000 0.258 328 M C 0.830 177.204 176.300 0.124 0.000 1.119 328 M CA 0.567 55.937 55.300 0.116 0.000 1.111 328 M CB -0.936 31.736 32.600 0.119 0.000 1.390 328 M HN -0.021 nan 8.290 nan 0.000 0.475 329 N N 2.824 121.618 118.700 0.156 0.000 3.115 329 N HA 0.036 4.776 4.740 -0.001 0.000 0.305 329 N C -1.126 174.487 175.510 0.172 0.000 1.305 329 N CA 0.181 53.317 53.050 0.142 0.000 1.154 329 N CB -0.240 38.338 38.487 0.152 0.000 1.454 329 N HN 0.185 nan 8.380 nan 0.000 0.551 330 N N -0.031 118.754 118.700 0.142 0.000 2.225 330 N HA 0.239 4.979 4.740 -0.001 0.000 0.298 330 N C -2.009 173.561 175.510 0.099 0.000 1.076 330 N CA -1.367 51.765 53.050 0.138 0.000 0.792 330 N CB 2.286 40.849 38.487 0.127 0.000 1.498 330 N HN -0.023 nan 8.380 nan 0.000 0.474 331 P HA -0.255 nan 4.420 nan 0.000 0.218 331 P C 1.193 178.523 177.300 0.050 0.000 1.165 331 P CA 1.706 64.846 63.100 0.066 0.000 0.922 331 P CB 0.453 32.182 31.700 0.047 0.000 0.794 332 E N -0.866 119.359 120.200 0.042 0.000 2.097 332 E HA -0.196 4.153 4.350 -0.001 0.000 0.196 332 E C 1.809 178.427 176.600 0.030 0.000 1.000 332 E CA 1.491 57.909 56.400 0.030 0.000 0.804 332 E CB -0.852 28.863 29.700 0.024 0.000 0.740 332 E HN 0.082 nan 8.360 nan 0.000 0.454 333 I N 0.170 120.763 120.570 0.039 0.000 2.400 333 I HA -0.115 4.054 4.170 -0.001 0.000 0.248 333 I C 2.397 178.537 176.117 0.038 0.000 1.109 333 I CA 0.735 62.057 61.300 0.036 0.000 1.425 333 I CB -0.993 37.035 38.000 0.047 0.000 1.094 333 I HN 0.184 nan 8.210 nan 0.000 0.425 334 I N 1.294 121.894 120.570 0.051 0.000 2.151 334 I HA -0.369 3.801 4.170 -0.001 0.000 0.243 334 I C 2.396 178.541 176.117 0.046 0.000 1.080 334 I CA 1.841 63.172 61.300 0.052 0.000 1.339 334 I CB -0.532 37.504 38.000 0.061 0.000 1.039 334 I HN 0.306 nan 8.210 nan 0.000 0.409 335 N N 1.163 119.889 118.700 0.043 0.000 2.025 335 N HA -0.278 4.462 4.740 -0.001 0.000 0.194 335 N C 1.849 177.372 175.510 0.022 0.000 1.044 335 N CA 2.112 55.184 53.050 0.036 0.000 0.851 335 N CB -0.192 38.314 38.487 0.032 0.000 1.036 335 N HN 0.517 nan 8.380 nan 0.000 0.422 336 E N -0.210 119.999 120.200 0.014 0.000 2.110 336 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 336 E C 2.029 178.622 176.600 -0.011 0.000 0.988 336 E CA 1.127 57.528 56.400 0.003 0.000 0.804 336 E CB -0.370 29.331 29.700 0.003 0.000 0.745 336 E HN 0.451 nan 8.360 nan 0.000 0.458 337 M N 0.942 120.536 119.600 -0.010 0.000 2.099 337 M HA -0.096 4.384 4.480 -0.001 0.000 0.262 337 M C 2.313 178.565 176.300 -0.080 0.000 1.067 337 M CA 2.063 57.339 55.300 -0.041 0.000 1.124 337 M CB -0.275 32.314 32.600 -0.019 0.000 1.353 337 M HN 0.165 nan 8.290 nan 0.000 0.410 338 T N 0.076 114.621 114.554 -0.016 0.000 2.746 338 T HA -0.110 4.239 4.350 -0.001 0.000 0.267 338 T C 1.819 176.502 174.700 -0.029 0.000 1.039 338 T CA 1.175 63.289 62.100 0.023 0.000 1.142 338 T CB -0.275 68.660 68.868 0.112 0.000 0.866 338 T HN 0.370 nan 8.240 nan 0.000 0.444 339 R N 0.451 120.937 120.500 -0.023 0.000 2.075 339 R HA 0.118 4.457 4.340 -0.001 0.000 0.232 339 R C 2.605 178.859 176.300 -0.076 0.000 1.126 339 R CA 1.180 57.262 56.100 -0.031 0.000 0.963 339 R CB -0.307 29.986 30.300 -0.012 0.000 0.858 339 R HN 0.390 nan 8.270 nan 0.000 0.435 340 M N -0.148 119.396 119.600 -0.093 0.000 2.132 340 M HA -0.142 4.338 4.480 -0.001 0.000 0.263 340 M C 2.223 178.389 176.300 -0.223 0.000 1.065 340 M CA 1.688 56.923 55.300 -0.108 0.000 1.122 340 M CB -0.205 32.354 32.600 -0.068 0.000 1.365 340 M HN 0.091 nan 8.290 nan 0.000 0.411 341 R N -0.059 120.219 120.500 -0.371 0.000 2.070 341 R HA -0.120 4.219 4.340 -0.001 0.000 0.233 341 R C 2.236 178.196 176.300 -0.567 0.000 1.137 341 R CA 1.687 57.371 56.100 -0.694 0.000 0.945 341 R CB -0.442 29.029 30.300 -1.380 0.000 0.845 341 R HN 0.343 nan 8.270 nan 0.000 0.430 342 M N 1.132 120.536 119.600 -0.327 0.000 2.117 342 M HA -0.188 4.291 4.480 -0.001 0.000 0.262 342 M C 1.606 177.872 176.300 -0.057 0.000 1.065 342 M CA 1.771 57.066 55.300 -0.008 0.000 1.114 342 M CB 0.094 32.746 32.600 0.087 0.000 1.361 342 M HN 0.099 nan 8.290 nan 0.000 0.408 343 E N -0.362 119.785 120.200 -0.088 0.000 2.153 343 E HA -0.192 4.158 4.350 -0.001 0.000 0.194 343 E C 1.729 178.281 176.600 -0.080 0.000 0.988 343 E CA 1.439 57.795 56.400 -0.072 0.000 0.811 343 E CB -0.079 29.586 29.700 -0.058 0.000 0.746 343 E HN 0.603 nan 8.360 nan 0.000 0.466 344 M N -0.431 119.100 119.600 -0.115 0.000 2.382 344 M HA 0.137 4.617 4.480 -0.001 0.000 0.247 344 M C 1.099 177.334 176.300 -0.108 0.000 1.104 344 M CA 0.325 55.556 55.300 -0.115 0.000 1.030 344 M CB 0.844 33.354 32.600 -0.151 0.000 1.424 344 M HN 0.044 nan 8.290 nan 0.000 0.486 345 L N -1.759 119.402 121.223 -0.102 0.000 3.039 345 L HA 0.409 4.748 4.340 -0.001 0.000 0.269 345 L C 1.267 178.166 176.870 0.049 0.000 1.169 345 L CA 0.022 54.840 54.840 -0.037 0.000 0.986 345 L CB 0.328 42.353 42.059 -0.056 0.000 1.377 345 L HN 0.427 nan 8.230 nan 0.000 0.575 346 G N 1.986 110.809 108.800 0.039 0.000 2.574 346 G HA2 -0.420 3.540 3.960 -0.001 0.000 0.301 346 G HA3 -0.420 3.540 3.960 -0.001 0.000 0.301 346 G C 0.719 175.711 174.900 0.153 0.000 1.166 346 G CA 0.776 45.905 45.100 0.049 0.000 0.971 346 G HN 0.311 nan 8.290 nan 0.000 0.542 347 T N -2.058 112.546 114.554 0.082 0.000 3.174 347 T HA 0.513 4.863 4.350 -0.001 0.000 0.269 347 T C 1.284 175.979 174.700 -0.009 0.000 1.017 347 T CA 1.142 63.243 62.100 0.002 0.000 0.899 347 T CB 0.150 68.989 68.868 -0.049 0.000 1.077 347 T HN 1.640 nan 8.240 nan 0.000 0.552 348 S N 1.696 117.470 115.700 0.123 0.000 3.324 348 S HA 0.541 5.011 4.470 -0.001 0.000 0.229 348 S C -0.125 174.578 174.600 0.171 0.000 1.417 348 S CA -1.086 57.167 58.200 0.089 0.000 1.211 348 S CB -1.534 61.705 63.200 0.065 0.000 1.157 348 S HN 0.685 nan 8.310 nan 0.000 0.491 349 F N -2.176 117.729 119.950 -0.074 0.000 2.741 349 F HA 0.681 5.207 4.527 -0.001 0.000 0.313 349 F C -1.684 174.079 175.800 -0.062 0.000 1.153 349 F CA -1.754 56.197 58.000 -0.081 0.000 0.931 349 F CB 0.783 39.734 39.000 -0.081 0.000 1.335 349 F HN -0.055 nan 8.300 nan 0.000 0.460 350 I N 3.300 123.874 120.570 0.006 0.000 2.337 350 I HA 0.290 4.459 4.170 -0.001 0.000 0.285 350 I C -1.630 174.536 176.117 0.081 0.000 1.041 350 I CA -1.945 59.310 61.300 -0.074 0.000 1.199 350 I CB 1.649 39.693 38.000 0.073 0.000 1.370 350 I HN 0.465 nan 8.210 nan 0.000 0.470 351 P HA -0.161 nan 4.420 nan 0.000 0.218 351 P C 0.309 177.689 177.300 0.133 0.000 1.148 351 P CA 1.375 64.553 63.100 0.129 0.000 0.822 351 P CB 0.508 32.148 31.700 -0.101 0.000 0.784 352 Q N -1.212 118.664 119.800 0.128 0.000 2.575 352 Q HA 0.346 4.686 4.340 -0.001 0.000 0.290 352 Q C -1.324 174.834 176.000 0.264 0.000 0.963 352 Q CA -0.779 55.097 55.803 0.121 0.000 0.783 352 Q CB 1.218 29.928 28.738 -0.045 0.000 1.467 352 Q HN 0.267 nan 8.270 nan 0.000 0.402 353 H N -0.809 118.280 119.070 0.032 0.000 3.012 353 H HA 0.476 5.032 4.556 -0.001 0.000 0.367 353 H C -0.548 174.668 175.328 -0.187 0.000 1.211 353 H CA -0.122 55.975 56.048 0.080 0.000 1.139 353 H CB 1.567 31.451 29.762 0.202 0.000 1.838 353 H HN 0.692 nan 8.280 nan 0.000 0.550 354 S N 0.236 115.828 115.700 -0.180 0.000 2.439 354 S HA -0.099 4.370 4.470 -0.001 0.000 0.224 354 S C 0.583 175.091 174.600 -0.153 0.000 1.029 354 S CA 0.904 58.869 58.200 -0.391 0.000 0.946 354 S CB -0.282 62.715 63.200 -0.339 0.000 0.797 354 S HN 0.781 nan 8.310 nan 0.000 0.504 355 D N 1.163 121.635 120.400 0.119 0.000 2.945 355 D HA -0.143 4.497 4.640 -0.001 0.000 0.225 355 D C 0.123 176.460 176.300 0.061 0.000 1.158 355 D CA 0.881 54.995 54.000 0.189 0.000 0.805 355 D CB -1.536 39.505 40.800 0.401 0.000 1.098 355 D HN 0.771 nan 8.370 nan 0.000 0.426 356 A N 0.203 122.984 122.820 -0.066 0.000 2.524 356 A HA 0.210 4.530 4.320 -0.001 0.000 0.250 356 A C 1.419 178.998 177.584 -0.009 0.000 1.078 356 A CA 0.489 52.453 52.037 -0.122 0.000 0.761 356 A CB 0.420 19.344 19.000 -0.126 0.000 1.012 356 A HN 0.336 nan 8.150 nan 0.000 0.500 357 R N 1.373 121.854 120.500 -0.032 0.000 2.225 357 R HA 0.176 4.516 4.340 -0.001 0.000 0.194 357 R C -0.544 175.800 176.300 0.073 0.000 0.957 357 R CA 0.454 56.615 56.100 0.101 0.000 1.042 357 R CB 0.518 30.935 30.300 0.195 0.000 1.004 357 R HN 0.535 nan 8.270 nan 0.000 0.509 358 V N 1.982 121.868 119.914 -0.046 0.000 2.409 358 V HA 0.031 4.150 4.120 -0.001 0.000 0.291 358 V C 0.928 177.041 176.094 0.033 0.000 1.020 358 V CA -0.384 61.927 62.300 0.018 0.000 0.848 358 V CB 1.692 33.493 31.823 -0.036 0.000 0.990 358 V HN 0.117 nan 8.190 nan 0.000 0.430 359 L N 4.778 126.081 121.223 0.134 0.000 2.040 359 L HA -0.262 4.077 4.340 -0.001 0.000 0.228 359 L C 2.256 179.186 176.870 0.101 0.000 1.092 359 L CA 2.445 57.367 54.840 0.135 0.000 0.805 359 L CB -0.339 41.831 42.059 0.185 0.000 0.905 359 L HN 0.795 nan 8.230 nan 0.000 0.443 360 E N -0.535 119.747 120.200 0.136 0.000 2.160 360 E HA -0.250 4.100 4.350 -0.001 0.000 0.195 360 E C 2.153 178.792 176.600 0.064 0.000 0.991 360 E CA 1.391 57.871 56.400 0.133 0.000 0.810 360 E CB -0.344 29.466 29.700 0.183 0.000 0.742 360 E HN 0.676 nan 8.360 nan 0.000 0.466 361 Q N 0.030 119.819 119.800 -0.019 0.000 2.248 361 Q HA -0.176 4.163 4.340 -0.001 0.000 0.208 361 Q C 2.064 177.894 176.000 -0.283 0.000 0.984 361 Q CA 0.915 56.611 55.803 -0.179 0.000 0.875 361 Q CB -0.315 28.200 28.738 -0.373 0.000 0.910 361 Q HN 0.363 nan 8.270 nan 0.000 0.433 362 L N 0.261 121.429 121.223 -0.092 0.000 2.129 362 L HA -0.245 4.094 4.340 -0.001 0.000 0.212 362 L C 2.209 179.132 176.870 0.088 0.000 1.087 362 L CA 1.049 55.914 54.840 0.043 0.000 0.757 362 L CB -0.489 41.640 42.059 0.117 0.000 0.896 362 L HN 0.314 nan 8.230 nan 0.000 0.434 363 I N -0.883 119.716 120.570 0.048 0.000 2.133 363 I HA -0.337 3.833 4.170 -0.001 0.000 0.238 363 I C 2.632 178.795 176.117 0.077 0.000 1.074 363 I CA 1.732 63.083 61.300 0.086 0.000 1.342 363 I CB -0.543 37.505 38.000 0.079 0.000 1.053 363 I HN 0.275 nan 8.210 nan 0.000 0.404 364 Y N 1.427 121.661 120.300 -0.111 0.000 2.337 364 Y HA 0.001 4.550 4.550 -0.001 0.000 0.293 364 Y C 2.255 177.898 175.900 -0.428 0.000 1.123 364 Y CA 0.710 58.603 58.100 -0.345 0.000 1.201 364 Y CB -0.615 37.571 38.460 -0.456 0.000 1.011 364 Y HN -0.123 nan 8.280 nan 0.000 0.545 365 K N 0.359 120.217 120.400 -0.905 0.000 2.032 365 K HA -0.198 4.122 4.320 -0.001 0.000 0.209 365 K C 1.723 178.015 176.600 -0.513 0.000 1.048 365 K CA 2.067 57.851 56.287 -0.838 0.000 0.927 365 K CB -0.956 30.970 32.500 -0.957 0.000 0.712 365 K HN 0.556 nan 8.250 nan 0.000 0.441 366 W N 0.240 121.476 121.300 -0.106 0.000 2.518 366 W HA -0.052 4.608 4.660 -0.001 0.000 0.273 366 W C 2.355 178.915 176.519 0.068 0.000 1.247 366 W CA 0.500 57.847 57.345 0.004 0.000 1.288 366 W CB -0.252 29.197 29.460 -0.019 0.000 1.107 366 W HN 0.334 nan 8.180 nan 0.000 0.586 367 H N -0.631 118.552 119.070 0.189 0.000 2.333 367 H HA -0.116 4.440 4.556 -0.001 0.000 0.302 367 H C 1.733 177.235 175.328 0.290 0.000 1.075 367 H CA 2.112 58.287 56.048 0.212 0.000 1.348 367 H CB -0.420 29.462 29.762 0.200 0.000 1.393 367 H HN 0.282 nan 8.280 nan 0.000 0.509 368 H N -0.534 118.667 119.070 0.218 0.000 2.353 368 H HA -0.062 4.494 4.556 -0.001 0.000 0.300 368 H C 2.529 177.896 175.328 0.065 0.000 1.090 368 H CA 0.972 57.111 56.048 0.152 0.000 1.327 368 H CB 0.428 30.326 29.762 0.226 0.000 1.383 368 H HN 0.263 nan 8.280 nan 0.000 0.508 369 S N 0.464 116.273 115.700 0.181 0.000 2.371 369 S HA -0.085 4.385 4.470 -0.001 0.000 0.224 369 S C 1.927 176.651 174.600 0.208 0.000 1.029 369 S CA 0.822 59.099 58.200 0.127 0.000 0.978 369 S CB 0.016 63.208 63.200 -0.013 0.000 0.833 369 S HN 0.327 nan 8.310 nan 0.000 0.466 370 K N 1.377 121.929 120.400 0.252 0.000 2.097 370 K HA -0.094 4.226 4.320 -0.001 0.000 0.206 370 K C 2.514 179.196 176.600 0.137 0.000 1.049 370 K CA 1.520 57.962 56.287 0.258 0.000 0.933 370 K CB -0.236 32.337 32.500 0.122 0.000 0.717 370 K HN 0.479 nan 8.250 nan 0.000 0.442 371 S N 0.954 116.675 115.700 0.034 0.000 2.382 371 S HA -0.126 4.344 4.470 -0.001 0.000 0.228 371 S C 2.000 176.636 174.600 0.059 0.000 1.027 371 S CA 0.931 59.132 58.200 0.003 0.000 0.991 371 S CB -0.486 62.671 63.200 -0.073 0.000 0.823 371 S HN 0.195 nan 8.310 nan 0.000 0.469 372 I N 1.410 122.029 120.570 0.082 0.000 2.233 372 I HA -0.076 4.094 4.170 -0.001 0.000 0.243 372 I C 2.414 178.596 176.117 0.107 0.000 1.093 372 I CA 1.200 62.551 61.300 0.085 0.000 1.380 372 I CB -0.396 37.654 38.000 0.084 0.000 1.067 372 I HN 0.253 nan 8.210 nan 0.000 0.413 373 I N 0.924 121.586 120.570 0.153 0.000 2.286 373 I HA -0.286 3.883 4.170 -0.001 0.000 0.248 373 I C 2.799 179.019 176.117 0.172 0.000 1.115 373 I CA 1.285 62.688 61.300 0.171 0.000 1.392 373 I CB -0.475 37.678 38.000 0.254 0.000 1.065 373 I HN 0.190 nan 8.210 nan 0.000 0.418 374 A N 0.490 123.418 122.820 0.181 0.000 1.877 374 A HA -0.264 4.056 4.320 -0.001 0.000 0.216 374 A C 2.229 179.887 177.584 0.124 0.000 1.186 374 A CA 2.028 54.160 52.037 0.159 0.000 0.620 374 A CB -0.547 18.526 19.000 0.123 0.000 0.822 374 A HN 0.390 nan 8.150 nan 0.000 0.443 375 E N -0.039 120.219 120.200 0.096 0.000 2.110 375 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 375 E C 1.801 178.444 176.600 0.071 0.000 0.988 375 E CA 1.495 57.941 56.400 0.078 0.000 0.804 375 E CB -0.408 29.328 29.700 0.061 0.000 0.745 375 E HN 0.257 nan 8.360 nan 0.000 0.458 376 V N 0.601 120.556 119.914 0.069 0.000 2.295 376 V HA -0.255 3.864 4.120 -0.001 0.000 0.246 376 V C 2.476 178.584 176.094 0.023 0.000 1.049 376 V CA 1.745 64.073 62.300 0.047 0.000 1.024 376 V CB -0.509 31.347 31.823 0.055 0.000 0.648 376 V HN 0.312 nan 8.190 nan 0.000 0.447 377 L N -0.705 120.540 121.223 0.037 0.000 2.042 377 L HA -0.214 4.126 4.340 -0.001 0.000 0.210 377 L C 2.375 179.292 176.870 0.079 0.000 1.076 377 L CA 1.757 56.584 54.840 -0.021 0.000 0.749 377 L CB -0.503 41.624 42.059 0.113 0.000 0.893 377 L HN 0.278 nan 8.230 nan 0.000 0.432 378 I N -0.300 120.366 120.570 0.159 0.000 2.163 378 I HA -0.331 3.839 4.170 -0.001 0.000 0.243 378 I C 2.172 178.370 176.117 0.135 0.000 1.085 378 I CA 1.344 62.755 61.300 0.186 0.000 1.347 378 I CB -0.455 37.623 38.000 0.131 0.000 1.044 378 I HN 0.288 nan 8.210 nan 0.000 0.408 379 D N 0.899 121.345 120.400 0.076 0.000 2.104 379 D HA -0.175 4.465 4.640 -0.001 0.000 0.194 379 D C 2.184 178.505 176.300 0.036 0.000 0.994 379 D CA 1.351 55.382 54.000 0.052 0.000 0.830 379 D CB -0.148 40.671 40.800 0.031 0.000 0.959 379 D HN 0.124 nan 8.370 nan 0.000 0.452 380 K N -0.234 120.156 120.400 -0.017 0.000 2.097 380 K HA -0.079 4.241 4.320 -0.001 0.000 0.205 380 K C 2.052 178.631 176.600 -0.035 0.000 1.050 380 K CA 0.666 56.908 56.287 -0.074 0.000 0.938 380 K CB -0.563 31.833 32.500 -0.174 0.000 0.718 380 K HN 0.220 nan 8.250 nan 0.000 0.442 381 Y N 0.778 121.108 120.300 0.050 0.000 2.200 381 Y HA -0.157 4.393 4.550 -0.001 0.000 0.290 381 Y C 2.074 178.018 175.900 0.072 0.000 1.137 381 Y CA 1.290 59.430 58.100 0.068 0.000 1.163 381 Y CB -0.663 37.846 38.460 0.081 0.000 0.988 381 Y HN 0.170 nan 8.280 nan 0.000 0.518 382 D N -0.252 120.282 120.400 0.223 0.000 2.144 382 D HA -0.168 4.472 4.640 -0.001 0.000 0.199 382 D C 1.547 177.915 176.300 0.114 0.000 0.984 382 D CA 1.509 55.597 54.000 0.147 0.000 0.834 382 D CB -0.085 40.779 40.800 0.108 0.000 0.955 382 D HN 0.156 nan 8.370 nan 0.000 0.465 383 D N -0.255 120.197 120.400 0.087 0.000 2.123 383 D HA -0.125 4.515 4.640 -0.001 0.000 0.196 383 D C 2.147 178.490 176.300 0.071 0.000 0.992 383 D CA 1.077 55.113 54.000 0.059 0.000 0.833 383 D CB -0.313 40.503 40.800 0.026 0.000 0.954 383 D HN 0.569 nan 8.370 nan 0.000 0.455 384 I N -1.712 118.913 120.570 0.091 0.000 2.716 384 I HA -0.016 4.154 4.170 -0.001 0.000 0.259 384 I C 2.148 178.394 176.117 0.215 0.000 1.172 384 I CA 0.340 61.706 61.300 0.109 0.000 1.478 384 I CB -0.217 37.794 38.000 0.019 0.000 1.104 384 I HN -0.101 nan 8.210 nan 0.000 0.439 385 L N 1.509 122.859 121.223 0.212 0.000 2.027 385 L HA -0.154 4.186 4.340 -0.001 0.000 0.206 385 L C 2.580 179.533 176.870 0.138 0.000 1.074 385 L CA 1.894 56.850 54.840 0.193 0.000 0.745 385 L CB -0.802 41.347 42.059 0.150 0.000 0.898 385 L HN 0.184 nan 8.230 nan 0.000 0.433 386 Q N -0.004 119.862 119.800 0.109 0.000 2.226 386 Q HA -0.026 4.314 4.340 -0.001 0.000 0.204 386 Q C 2.107 178.156 176.000 0.082 0.000 0.975 386 Q CA 1.360 57.211 55.803 0.081 0.000 0.866 386 Q CB -0.676 28.101 28.738 0.064 0.000 0.915 386 Q HN 0.675 nan 8.270 nan 0.000 0.440 387 A N -0.480 122.401 122.820 0.101 0.000 2.235 387 A HA 0.345 4.665 4.320 -0.001 0.000 0.208 387 A C 1.428 179.089 177.584 0.129 0.000 1.172 387 A CA 1.023 53.118 52.037 0.098 0.000 0.786 387 A CB -0.160 18.892 19.000 0.087 0.000 0.804 387 A HN 0.411 nan 8.150 nan 0.000 0.479 388 G N -2.863 106.023 108.800 0.143 0.000 2.179 388 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.220 388 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.220 388 G C -0.005 175.004 174.900 0.183 0.000 0.990 388 G CA -0.047 45.133 45.100 0.133 0.000 0.646 388 G HN 0.605 nan 8.290 nan 0.000 0.517 389 W N 1.962 123.281 121.300 0.033 0.000 2.261 389 W HA 0.587 5.247 4.660 -0.001 0.000 0.323 389 W C 0.079 176.616 176.519 0.031 0.000 1.243 389 W CA -0.190 57.177 57.345 0.036 0.000 1.210 389 W CB 0.893 30.384 29.460 0.051 0.000 1.149 389 W HN 0.226 nan 8.180 nan 0.000 0.562 390 E N 4.204 124.052 120.200 -0.587 0.000 2.167 390 E HA 0.270 4.619 4.350 -0.001 0.000 0.284 390 E C -0.858 175.543 176.600 -0.332 0.000 1.016 390 E CA -0.370 55.793 56.400 -0.395 0.000 0.817 390 E CB 1.022 30.471 29.700 -0.420 0.000 1.080 390 E HN 0.293 nan 8.360 nan 0.000 0.397 391 V N 2.177 122.061 119.914 -0.051 0.000 2.357 391 V HA 0.502 4.622 4.120 -0.001 0.000 0.284 391 V C 0.094 176.150 176.094 -0.062 0.000 1.018 391 V CA -0.627 61.688 62.300 0.025 0.000 0.841 391 V CB 0.860 32.704 31.823 0.034 0.000 0.991 391 V HN 0.696 nan 8.190 nan 0.000 0.437 392 T N 0.240 114.761 114.554 -0.054 0.000 2.928 392 T HA 0.419 4.769 4.350 -0.001 0.000 0.284 392 T C 0.796 175.454 174.700 -0.071 0.000 1.008 392 T CA 0.242 62.306 62.100 -0.060 0.000 1.057 392 T CB 1.869 70.711 68.868 -0.044 0.000 1.018 392 T HN 0.886 nan 8.240 nan 0.000 0.493 393 E N 0.262 120.425 120.200 -0.061 0.000 2.204 393 E HA -0.182 4.167 4.350 -0.001 0.000 0.195 393 E C 1.686 178.266 176.600 -0.033 0.000 0.990 393 E CA 1.055 57.420 56.400 -0.058 0.000 0.821 393 E CB 0.001 29.677 29.700 -0.040 0.000 0.750 393 E HN 0.760 nan 8.360 nan 0.000 0.477 394 E N 0.698 120.887 120.200 -0.018 0.000 2.152 394 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 394 E C 1.554 178.166 176.600 0.021 0.000 0.983 394 E CA 1.159 57.560 56.400 0.002 0.000 0.818 394 E CB 0.121 29.823 29.700 0.003 0.000 0.758 394 E HN 0.376 nan 8.360 nan 0.000 0.467 395 E N -0.293 119.920 120.200 0.022 0.000 2.107 395 E HA -0.102 4.247 4.350 -0.001 0.000 0.191 395 E C 2.090 178.736 176.600 0.075 0.000 0.982 395 E CA 0.803 57.243 56.400 0.066 0.000 0.809 395 E CB -0.060 29.700 29.700 0.101 0.000 0.756 395 E HN 0.302 nan 8.360 nan 0.000 0.459 396 I N 1.459 122.023 120.570 -0.009 0.000 2.179 396 I HA -0.299 3.870 4.170 -0.001 0.000 0.242 396 I C 2.212 178.384 176.117 0.090 0.000 1.088 396 I CA 1.309 62.606 61.300 -0.005 0.000 1.357 396 I CB -0.183 37.712 38.000 -0.175 0.000 1.051 396 I HN 0.015 nan 8.210 nan 0.000 0.409 397 K N 0.253 120.683 120.400 0.050 0.000 2.103 397 K HA -0.224 4.096 4.320 -0.001 0.000 0.207 397 K C 2.254 178.902 176.600 0.081 0.000 1.048 397 K CA 1.215 57.538 56.287 0.060 0.000 0.930 397 K CB -0.264 32.255 32.500 0.031 0.000 0.716 397 K HN 0.270 nan 8.250 nan 0.000 0.444 398 R N 1.334 121.883 120.500 0.081 0.000 2.070 398 R HA -0.164 4.176 4.340 -0.001 0.000 0.233 398 R C 1.413 177.777 176.300 0.106 0.000 1.137 398 R CA 2.018 58.170 56.100 0.086 0.000 0.945 398 R CB -0.124 30.225 30.300 0.083 0.000 0.845 398 R HN 0.151 nan 8.270 nan 0.000 0.430 399 D N 0.140 120.622 120.400 0.138 0.000 2.097 399 D HA -0.131 4.508 4.640 -0.001 0.000 0.195 399 D C 2.032 178.410 176.300 0.130 0.000 0.989 399 D CA 1.211 55.294 54.000 0.139 0.000 0.827 399 D CB -0.285 40.648 40.800 0.221 0.000 0.966 399 D HN 0.114 nan 8.370 nan 0.000 0.456 400 V N 1.687 121.713 119.914 0.188 0.000 2.332 400 V HA -0.250 3.869 4.120 -0.001 0.000 0.248 400 V C 2.569 178.824 176.094 0.268 0.000 1.055 400 V CA 1.836 64.291 62.300 0.259 0.000 1.038 400 V CB -0.769 31.204 31.823 0.250 0.000 0.651 400 V HN 0.190 nan 8.190 nan 0.000 0.450 401 A N -0.541 122.380 122.820 0.168 0.000 1.972 401 A HA -0.235 4.085 4.320 -0.001 0.000 0.219 401 A C 2.017 179.679 177.584 0.130 0.000 1.169 401 A CA 1.889 54.013 52.037 0.144 0.000 0.635 401 A CB -0.520 18.538 19.000 0.098 0.000 0.810 401 A HN 0.538 nan 8.150 nan 0.000 0.446 402 D N 0.174 120.627 120.400 0.089 0.000 2.084 402 D HA -0.114 4.525 4.640 -0.001 0.000 0.194 402 D C 2.029 178.314 176.300 -0.024 0.000 0.990 402 D CA 1.194 55.219 54.000 0.042 0.000 0.826 402 D CB -0.377 40.432 40.800 0.015 0.000 0.971 402 D HN 0.437 nan 8.370 nan 0.000 0.453 403 L N -0.450 120.709 121.223 -0.106 0.000 2.012 403 L HA -0.182 4.158 4.340 -0.001 0.000 0.210 403 L C 2.288 178.960 176.870 -0.330 0.000 1.073 403 L CA 1.110 55.747 54.840 -0.338 0.000 0.748 403 L CB -0.418 41.336 42.059 -0.508 0.000 0.891 403 L HN -0.009 nan 8.230 nan 0.000 0.431 404 F N -2.112 117.814 119.950 -0.040 0.000 2.789 404 F HA -0.001 4.526 4.527 -0.001 0.000 0.300 404 F C 2.177 177.939 175.800 -0.064 0.000 1.132 404 F CA 0.696 58.664 58.000 -0.054 0.000 1.404 404 F CB 0.363 39.310 39.000 -0.087 0.000 1.114 404 F HN 0.003 nan 8.300 nan 0.000 0.584 405 S N -1.246 114.544 115.700 0.150 0.000 4.257 405 S HA 0.111 4.581 4.470 -0.001 0.000 0.208 405 S C 1.800 176.558 174.600 0.262 0.000 1.152 405 S CA -0.209 58.105 58.200 0.190 0.000 1.110 405 S CB -0.270 63.065 63.200 0.224 0.000 1.434 405 S HN 0.048 nan 8.310 nan 0.000 0.509 406 R N 1.685 122.319 120.500 0.224 0.000 2.091 406 R HA 0.031 4.371 4.340 -0.001 0.000 0.238 406 R C 1.739 178.136 176.300 0.162 0.000 1.136 406 R CA 1.833 58.067 56.100 0.223 0.000 0.959 406 R CB -0.449 29.939 30.300 0.147 0.000 0.856 406 R HN 0.387 nan 8.270 nan 0.000 0.437 407 N N 0.558 119.312 118.700 0.090 0.000 2.104 407 N HA -0.201 4.539 4.740 -0.001 0.000 0.190 407 N C 1.457 177.012 175.510 0.075 0.000 1.024 407 N CA 1.199 54.283 53.050 0.056 0.000 0.853 407 N CB -0.397 38.078 38.487 -0.019 0.000 1.008 407 N HN 0.123 nan 8.380 nan 0.000 0.424 408 F N 0.267 120.149 119.950 -0.112 0.000 2.031 408 F HA -0.140 4.387 4.527 -0.001 0.000 0.295 408 F C 1.949 177.630 175.800 -0.198 0.000 1.133 408 F CA 1.431 59.289 58.000 -0.237 0.000 1.188 408 F CB -0.858 37.835 39.000 -0.511 0.000 0.974 408 F HN 0.037 nan 8.300 nan 0.000 0.473 409 W N 0.662 121.904 121.300 -0.096 0.000 2.350 409 W HA -0.164 4.496 4.660 -0.001 0.000 0.289 409 W C 2.803 179.225 176.519 -0.161 0.000 1.215 409 W CA 1.437 58.657 57.345 -0.209 0.000 1.236 409 W CB -0.517 28.923 29.460 -0.034 0.000 1.130 409 W HN -0.014 nan 8.180 nan 0.000 0.541 410 R N -0.337 120.240 120.500 0.129 0.000 2.081 410 R HA -0.198 4.142 4.340 -0.001 0.000 0.235 410 R C 2.159 178.505 176.300 0.077 0.000 1.131 410 R CA 1.716 57.878 56.100 0.104 0.000 0.960 410 R CB -0.808 29.561 30.300 0.116 0.000 0.856 410 R HN 0.165 nan 8.270 nan 0.000 0.436 411 F N 1.087 120.956 119.950 -0.134 0.000 2.113 411 F HA -0.140 4.387 4.527 -0.001 0.000 0.297 411 F C 1.998 177.683 175.800 -0.191 0.000 1.103 411 F CA 1.532 59.446 58.000 -0.144 0.000 1.248 411 F CB -0.323 38.589 39.000 -0.146 0.000 0.999 411 F HN -0.054 nan 8.300 nan 0.000 0.475 412 V N -1.323 118.385 119.914 -0.343 0.000 3.141 412 V HA 0.220 4.340 4.120 -0.001 0.000 0.265 412 V C 1.635 177.606 176.094 -0.206 0.000 1.126 412 V CA 0.842 62.917 62.300 -0.375 0.000 1.141 412 V CB -1.318 30.195 31.823 -0.517 0.000 0.743 412 V HN 0.709 nan 8.190 nan 0.000 0.492 413 G N 0.325 109.048 108.800 -0.129 0.000 2.182 413 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.248 413 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.248 413 G C 0.101 175.005 174.900 0.007 0.000 1.042 413 G CA 0.399 45.465 45.100 -0.057 0.000 0.775 413 G HN 0.636 nan 8.290 nan 0.000 0.501 414 R N 0.000 120.547 120.500 0.078 0.000 2.786 414 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 414 R CA 0.000 56.173 56.100 0.121 0.000 0.921 414 R CB 0.000 30.460 30.300 0.266 0.000 0.687 414 R HN 0.000 nan 8.270 nan 0.000 0.535