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 2wl4_1_C DATA FIRST_RESID 4 DATA SEQUENCE SIVIASAART AVGSFNGAFA NTPAHELGAT VISAVLERAG VAAGEVNEVI DATA SEQUENCE LGQVLPAGEG QNPARQAAMK AGVPQEATAW GMNQLCGSGL RAVALGMQQI DATA SEQUENCE ATGDASIIVA GGMESMSMAP HCAHLRGGVK MGDFKMIDTM IKDGLTDAFY DATA SEQUENCE GYHMGTTAEN VAKQWQLSRD EQDAFAVASQ NKAEAAQKDG RFKDEIVPFI DATA SEQUENCE VKGRKGDITV DADEYIRHGA TLDSMAKLRP AFDKEGTVTA GNASGLNDGA DATA SEQUENCE AAALLMSEAE ASRRGIQPLG RIVSWATVGV DPKVMGTGPI PASRKALERA DATA SEQUENCE GWKIGDLDLV EANEAFAAQA CAVNKDLGWD PSIVNVNGGA IAIGAPIGAS DATA SEQUENCE GARILNTLLF EMKRRGARKG LATLCIGGGM GVAMCIESL 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.617 174.600 0.028 0.000 1.055 4 S CA 0.000 58.218 58.200 0.031 0.000 1.107 4 S CB 0.000 63.220 63.200 0.034 0.000 0.593 5 I N 3.492 124.080 120.570 0.031 0.000 2.730 5 I HA 0.863 5.033 4.170 0.001 0.000 0.298 5 I C -0.459 175.670 176.117 0.020 0.000 1.089 5 I CA -1.029 60.285 61.300 0.022 0.000 1.041 5 I CB 1.708 39.721 38.000 0.022 0.000 1.235 5 I HN 0.509 nan 8.210 nan 0.000 0.423 6 V N 1.634 121.552 119.914 0.006 0.000 3.159 6 V HA 0.638 4.758 4.120 0.001 0.000 0.308 6 V C -0.703 175.377 176.094 -0.022 0.000 1.190 6 V CA -0.863 61.436 62.300 -0.002 0.000 1.037 6 V CB 2.697 34.519 31.823 -0.003 0.000 1.060 6 V HN 0.530 nan 8.190 nan 0.000 0.437 7 I N 2.247 122.794 120.570 -0.039 0.000 2.307 7 I HA 0.578 4.748 4.170 0.001 0.000 0.289 7 I C 1.183 177.249 176.117 -0.084 0.000 1.021 7 I CA -0.274 60.985 61.300 -0.068 0.000 1.224 7 I CB 1.651 39.596 38.000 -0.092 0.000 1.376 7 I HN 0.903 nan 8.210 nan 0.000 0.470 8 A N 4.776 127.555 122.820 -0.070 0.000 2.030 8 A HA 0.171 4.491 4.320 0.001 0.000 0.215 8 A C 0.822 178.357 177.584 -0.082 0.000 1.164 8 A CA 0.789 52.791 52.037 -0.059 0.000 0.697 8 A CB 0.052 19.034 19.000 -0.029 0.000 0.827 8 A HN 0.728 nan 8.150 nan 0.000 0.457 9 S N -2.955 112.679 115.700 -0.109 0.000 2.552 9 S HA 0.728 5.199 4.470 0.001 0.000 0.272 9 S C -0.753 173.762 174.600 -0.141 0.000 1.150 9 S CA -0.123 58.008 58.200 -0.115 0.000 0.849 9 S CB 1.028 64.235 63.200 0.012 0.000 1.113 9 S HN 1.525 nan 8.310 nan 0.000 0.458 10 A N 0.685 123.415 122.820 -0.150 0.000 2.527 10 A HA 1.092 5.412 4.320 0.001 0.000 0.293 10 A C -0.478 177.318 177.584 0.353 0.000 1.117 10 A CA -0.602 51.431 52.037 -0.007 0.000 0.723 10 A CB 1.237 20.105 19.000 -0.219 0.000 1.313 10 A HN 2.459 nan 8.150 nan 0.000 0.411 11 A N 0.391 123.353 122.820 0.237 0.000 2.599 11 A HA 0.807 5.128 4.320 0.001 0.000 0.294 11 A C -0.794 176.853 177.584 0.105 0.000 1.055 11 A CA -0.175 51.979 52.037 0.195 0.000 0.683 11 A CB 1.123 20.200 19.000 0.129 0.000 1.278 11 A HN 1.979 nan 8.150 nan 0.000 0.412 12 R N -0.307 120.239 120.500 0.076 0.000 2.680 12 R HA 0.777 5.117 4.340 0.001 0.000 0.269 12 R C -0.172 176.136 176.300 0.013 0.000 1.026 12 R CA 0.014 56.133 56.100 0.032 0.000 0.889 12 R CB 1.143 31.464 30.300 0.035 0.000 1.241 12 R HN 1.152 nan 8.270 nan 0.000 0.463 13 T N -0.306 114.230 114.554 -0.029 0.000 2.766 13 T HA 0.524 4.874 4.350 0.001 0.000 0.295 13 T C 0.755 175.457 174.700 0.004 0.000 1.024 13 T CA -0.192 61.881 62.100 -0.044 0.000 1.018 13 T CB 0.878 69.617 68.868 -0.216 0.000 1.002 13 T HN 0.783 nan 8.240 nan 0.000 0.532 14 A N 1.145 124.013 122.820 0.080 0.000 2.406 14 A HA 0.530 4.850 4.320 0.001 0.000 0.243 14 A C 0.224 177.903 177.584 0.158 0.000 1.082 14 A CA -0.734 51.369 52.037 0.110 0.000 0.786 14 A CB -0.003 19.102 19.000 0.176 0.000 1.029 14 A HN 0.872 nan 8.150 nan 0.000 0.495 15 V N 1.532 121.496 119.914 0.083 0.000 2.383 15 V HA 0.508 4.628 4.120 0.001 0.000 0.275 15 V C 1.016 177.174 176.094 0.105 0.000 1.036 15 V CA 0.122 62.478 62.300 0.094 0.000 0.889 15 V CB 0.875 32.700 31.823 0.004 0.000 0.985 15 V HN 1.083 nan 8.190 nan 0.000 0.459 16 G N 3.383 112.286 108.800 0.171 0.000 2.377 16 G HA2 0.486 4.447 3.960 0.001 0.000 0.299 16 G HA3 0.486 4.447 3.960 0.001 0.000 0.299 16 G C -0.008 174.859 174.900 -0.056 0.000 1.150 16 G CA -0.307 44.745 45.100 -0.080 0.000 0.847 16 G HN 0.655 nan 8.290 nan 0.000 0.501 17 S N 0.268 115.922 115.700 -0.076 0.000 2.614 17 S HA 0.261 4.732 4.470 0.001 0.000 0.265 17 S C -0.068 174.543 174.600 0.019 0.000 1.303 17 S CA -0.418 57.755 58.200 -0.045 0.000 1.000 17 S CB 0.736 63.986 63.200 0.084 0.000 0.935 17 S HN 0.424 nan 8.310 nan 0.000 0.551 18 F N 3.155 123.025 119.950 -0.134 0.000 2.593 18 F HA 0.003 4.531 4.527 0.001 0.000 0.393 18 F C 1.083 176.857 175.800 -0.042 0.000 1.037 18 F CA -0.117 57.837 58.000 -0.078 0.000 1.195 18 F CB -0.829 38.135 39.000 -0.061 0.000 1.034 18 F HN 0.585 nan 8.300 nan 0.000 0.552 19 N N 2.667 121.127 118.700 -0.401 0.000 2.735 19 N HA -0.202 4.539 4.740 0.001 0.000 0.248 19 N C 0.417 175.830 175.510 -0.162 0.000 1.083 19 N CA 0.915 53.763 53.050 -0.337 0.000 0.703 19 N CB -1.307 36.926 38.487 -0.423 0.000 1.005 19 N HN 0.807 nan 8.380 nan 0.000 0.550 20 G N -0.217 108.502 108.800 -0.136 0.000 3.441 20 G HA2 0.561 4.521 3.960 0.001 0.000 0.195 20 G HA3 0.561 4.521 3.960 0.001 0.000 0.195 20 G C 1.132 175.910 174.900 -0.203 0.000 1.633 20 G CA 0.503 45.520 45.100 -0.138 0.000 0.895 20 G HN 0.301 nan 8.290 nan 0.000 0.654 21 A N -0.485 122.116 122.820 -0.365 0.000 1.940 21 A HA 0.124 4.445 4.320 0.001 0.000 0.219 21 A C 1.509 178.820 177.584 -0.455 0.000 1.176 21 A CA 1.476 53.201 52.037 -0.520 0.000 0.631 21 A CB -0.492 17.987 19.000 -0.869 0.000 0.814 21 A HN 0.380 nan 8.150 nan 0.000 0.446 22 F N -1.076 118.832 119.950 -0.070 0.000 2.772 22 F HA 0.517 5.045 4.527 0.001 0.000 0.302 22 F C 1.891 177.629 175.800 -0.104 0.000 1.136 22 F CA -0.746 57.188 58.000 -0.110 0.000 1.322 22 F CB -0.804 38.074 39.000 -0.204 0.000 0.967 22 F HN 0.185 nan 8.300 nan 0.000 0.513 23 A N 0.520 123.337 122.820 -0.006 0.000 2.032 23 A HA -0.205 4.116 4.320 0.001 0.000 0.221 23 A C 1.950 179.514 177.584 -0.033 0.000 1.165 23 A CA 1.941 53.941 52.037 -0.062 0.000 0.645 23 A CB -0.384 18.552 19.000 -0.106 0.000 0.807 23 A HN 0.399 nan 8.150 nan 0.000 0.453 24 N N -1.155 117.551 118.700 0.010 0.000 2.184 24 N HA 0.036 4.776 4.740 0.001 0.000 0.206 24 N C -0.517 175.008 175.510 0.026 0.000 1.151 24 N CA 0.204 53.263 53.050 0.014 0.000 0.878 24 N CB 0.520 39.019 38.487 0.022 0.000 1.014 24 N HN 0.208 nan 8.380 nan 0.000 0.512 25 T N 3.673 118.248 114.554 0.035 0.000 2.723 25 T HA 0.264 4.615 4.350 0.001 0.000 0.297 25 T C -2.418 172.223 174.700 -0.099 0.000 0.925 25 T CA -1.086 61.006 62.100 -0.015 0.000 1.030 25 T CB 1.552 70.384 68.868 -0.061 0.000 0.905 25 T HN -0.018 nan 8.240 nan 0.000 0.502 26 P HA 0.109 nan 4.420 nan 0.000 0.267 26 P C 0.562 177.714 177.300 -0.248 0.000 1.200 26 P CA -0.135 62.869 63.100 -0.159 0.000 0.772 26 P CB 0.497 32.055 31.700 -0.236 0.000 0.855 27 A N 3.424 126.163 122.820 -0.135 0.000 1.883 27 A HA -0.243 4.078 4.320 0.001 0.000 0.217 27 A C 1.978 179.475 177.584 -0.145 0.000 1.186 27 A CA 1.840 53.796 52.037 -0.134 0.000 0.624 27 A CB -1.806 17.166 19.000 -0.046 0.000 0.822 27 A HN 0.807 nan 8.150 nan 0.000 0.444 28 H N -0.536 118.505 119.070 -0.050 0.000 2.457 28 H HA -0.095 4.462 4.556 0.001 0.000 0.297 28 H C 1.512 176.833 175.328 -0.011 0.000 1.092 28 H CA 1.447 57.477 56.048 -0.031 0.000 1.309 28 H CB -0.486 29.268 29.762 -0.014 0.000 1.382 28 H HN 0.656 nan 8.280 nan 0.000 0.535 29 E N 1.173 121.095 120.200 -0.463 0.000 2.031 29 E HA -0.089 4.261 4.350 0.001 0.000 0.193 29 E C 2.671 179.285 176.600 0.023 0.000 0.994 29 E CA 1.169 57.476 56.400 -0.155 0.000 0.800 29 E CB -0.006 29.625 29.700 -0.115 0.000 0.752 29 E HN 0.444 nan 8.360 nan 0.000 0.447 30 L N 0.511 121.598 121.223 -0.226 0.000 2.131 30 L HA -0.090 4.251 4.340 0.001 0.000 0.210 30 L C 2.583 179.374 176.870 -0.131 0.000 1.092 30 L CA 1.116 55.750 54.840 -0.344 0.000 0.759 30 L CB -0.710 40.984 42.059 -0.607 0.000 0.903 30 L HN 0.220 nan 8.230 nan 0.000 0.435 31 G N -0.275 108.470 108.800 -0.091 0.000 2.408 31 G HA2 -0.163 3.797 3.960 0.001 0.000 0.217 31 G HA3 -0.163 3.797 3.960 0.001 0.000 0.217 31 G C 1.814 176.715 174.900 0.001 0.000 1.150 31 G CA 0.737 45.812 45.100 -0.042 0.000 0.776 31 G HN 0.439 nan 8.290 nan 0.000 0.542 32 A N 0.546 123.387 122.820 0.035 0.000 1.877 32 A HA -0.037 4.284 4.320 0.001 0.000 0.216 32 A C 2.522 180.134 177.584 0.047 0.000 1.186 32 A CA 2.477 54.545 52.037 0.051 0.000 0.620 32 A CB -1.059 17.987 19.000 0.077 0.000 0.822 32 A HN 0.276 nan 8.150 nan 0.000 0.443 33 T N -0.558 114.044 114.554 0.080 0.000 2.759 33 T HA -0.112 4.238 4.350 0.001 0.000 0.269 33 T C 1.793 176.523 174.700 0.051 0.000 1.042 33 T CA 1.488 63.636 62.100 0.080 0.000 1.140 33 T CB -0.340 68.647 68.868 0.198 0.000 0.864 33 T HN 0.130 nan 8.240 nan 0.000 0.455 34 V N 1.065 120.999 119.914 0.034 0.000 2.548 34 V HA -0.065 4.055 4.120 0.001 0.000 0.249 34 V C 2.234 178.336 176.094 0.014 0.000 1.055 34 V CA 1.205 63.515 62.300 0.016 0.000 1.065 34 V CB -0.455 31.361 31.823 -0.013 0.000 0.681 34 V HN 0.508 nan 8.190 nan 0.000 0.462 35 I N -0.634 119.940 120.570 0.007 0.000 2.193 35 I HA -0.167 4.003 4.170 0.001 0.000 0.240 35 I C 2.492 178.616 176.117 0.011 0.000 1.084 35 I CA 1.438 62.740 61.300 0.003 0.000 1.365 35 I CB -0.601 37.397 38.000 -0.002 0.000 1.064 35 I HN 0.165 nan 8.210 nan 0.000 0.410 36 S N 0.767 116.476 115.700 0.015 0.000 2.440 36 S HA -0.131 4.340 4.470 0.001 0.000 0.238 36 S C 2.128 176.739 174.600 0.019 0.000 1.010 36 S CA 1.215 59.423 58.200 0.013 0.000 0.972 36 S CB -0.299 62.906 63.200 0.009 0.000 0.774 36 S HN 0.534 nan 8.310 nan 0.000 0.501 37 A N 0.932 123.767 122.820 0.026 0.000 1.840 37 A HA 0.015 4.335 4.320 0.001 0.000 0.214 37 A C 2.219 179.832 177.584 0.048 0.000 1.198 37 A CA 1.244 53.303 52.037 0.038 0.000 0.608 37 A CB -0.882 18.146 19.000 0.047 0.000 0.839 37 A HN 0.333 nan 8.150 nan 0.000 0.443 38 V N -0.066 119.877 119.914 0.047 0.000 2.913 38 V HA -0.149 3.971 4.120 0.001 0.000 0.260 38 V C 2.325 178.436 176.094 0.029 0.000 1.098 38 V CA 1.509 63.838 62.300 0.048 0.000 1.121 38 V CB -0.449 31.391 31.823 0.028 0.000 0.714 38 V HN 0.496 nan 8.190 nan 0.000 0.487 39 L N 0.753 121.989 121.223 0.021 0.000 2.270 39 L HA 0.039 4.380 4.340 0.001 0.000 0.210 39 L C 2.283 179.162 176.870 0.015 0.000 1.104 39 L CA 1.724 56.572 54.840 0.013 0.000 0.804 39 L CB -0.537 41.527 42.059 0.008 0.000 0.937 39 L HN 0.549 nan 8.230 nan 0.000 0.450 40 E N -1.092 119.120 120.200 0.020 0.000 2.474 40 E HA -0.064 4.286 4.350 0.001 0.000 0.195 40 E C 1.531 178.147 176.600 0.026 0.000 1.039 40 E CA -0.027 56.384 56.400 0.019 0.000 0.881 40 E CB -0.026 29.683 29.700 0.015 0.000 0.970 40 E HN 0.390 nan 8.360 nan 0.000 0.486 41 R N 0.150 120.671 120.500 0.036 0.000 2.276 41 R HA 0.127 4.468 4.340 0.001 0.000 0.203 41 R C 1.719 178.044 176.300 0.041 0.000 1.017 41 R CA 1.078 57.209 56.100 0.052 0.000 1.010 41 R CB 0.220 30.570 30.300 0.084 0.000 0.900 41 R HN 0.248 nan 8.270 nan 0.000 0.469 42 A N -1.209 121.627 122.820 0.026 0.000 2.138 42 A HA 0.375 4.695 4.320 0.001 0.000 0.203 42 A C 1.310 178.902 177.584 0.014 0.000 1.286 42 A CA 0.654 52.701 52.037 0.017 0.000 0.929 42 A CB 0.742 19.747 19.000 0.007 0.000 0.975 42 A HN 0.298 nan 8.150 nan 0.000 0.480 43 G N -1.374 107.434 108.800 0.013 0.000 2.175 43 G HA2 -0.088 3.872 3.960 0.001 0.000 0.182 43 G HA3 -0.088 3.872 3.960 0.001 0.000 0.182 43 G C -0.034 174.871 174.900 0.008 0.000 1.003 43 G CA -0.016 45.091 45.100 0.011 0.000 0.666 43 G HN 0.787 nan 8.290 nan 0.000 0.506 44 V N 1.494 121.413 119.914 0.008 0.000 2.439 44 V HA 0.762 4.882 4.120 0.001 0.000 0.282 44 V C 0.944 177.042 176.094 0.007 0.000 1.039 44 V CA -0.103 62.201 62.300 0.006 0.000 0.913 44 V CB 1.389 33.215 31.823 0.004 0.000 0.983 44 V HN 0.974 nan 8.190 nan 0.000 0.460 45 A N 3.831 126.654 122.820 0.006 0.000 2.322 45 A HA 0.680 5.000 4.320 0.001 0.000 0.269 45 A C 1.552 179.139 177.584 0.005 0.000 1.094 45 A CA 0.225 52.266 52.037 0.006 0.000 0.807 45 A CB 0.624 19.627 19.000 0.005 0.000 1.047 45 A HN 1.325 nan 8.150 nan 0.000 0.487 46 A N 1.605 124.428 122.820 0.005 0.000 1.997 46 A HA -0.069 4.252 4.320 0.001 0.000 0.221 46 A C 2.039 179.627 177.584 0.006 0.000 1.172 46 A CA 2.375 54.415 52.037 0.005 0.000 0.645 46 A CB -1.159 17.845 19.000 0.005 0.000 0.813 46 A HN 1.589 nan 8.150 nan 0.000 0.454 47 G N -1.463 107.341 108.800 0.006 0.000 2.776 47 G HA2 0.102 4.062 3.960 0.001 0.000 0.209 47 G HA3 0.102 4.062 3.960 0.001 0.000 0.209 47 G C 0.870 175.774 174.900 0.007 0.000 1.145 47 G CA 0.866 45.970 45.100 0.007 0.000 0.791 47 G HN 0.563 nan 8.290 nan 0.000 0.530 48 E N -0.639 119.565 120.200 0.007 0.000 2.538 48 E HA 0.224 4.574 4.350 0.001 0.000 0.207 48 E C 0.248 176.853 176.600 0.007 0.000 1.002 48 E CA -0.279 56.125 56.400 0.007 0.000 0.952 48 E CB 1.182 30.886 29.700 0.006 0.000 1.031 48 E HN 0.105 nan 8.360 nan 0.000 0.476 49 V N 1.969 121.887 119.914 0.007 0.000 2.488 49 V HA 0.054 4.174 4.120 0.001 0.000 0.277 49 V C 0.896 176.998 176.094 0.013 0.000 1.046 49 V CA 0.130 62.433 62.300 0.006 0.000 0.986 49 V CB 1.100 32.925 31.823 0.002 0.000 0.989 49 V HN 0.258 nan 8.190 nan 0.000 0.475 50 N N 3.275 121.985 118.700 0.017 0.000 2.132 50 N HA 0.023 4.764 4.740 0.001 0.000 0.187 50 N C 0.458 175.994 175.510 0.045 0.000 1.038 50 N CA 0.618 53.685 53.050 0.030 0.000 0.846 50 N CB 0.366 38.873 38.487 0.033 0.000 1.012 50 N HN 0.772 nan 8.380 nan 0.000 0.429 51 E N -0.260 119.967 120.200 0.045 0.000 2.390 51 E HA 0.402 4.753 4.350 0.001 0.000 0.277 51 E C -1.876 174.719 176.600 -0.008 0.000 0.939 51 E CA -0.574 55.865 56.400 0.065 0.000 0.769 51 E CB 2.255 32.055 29.700 0.167 0.000 1.251 51 E HN -0.249 nan 8.360 nan 0.000 0.450 52 V N 4.471 124.354 119.914 -0.051 0.000 2.350 52 V HA 0.410 4.531 4.120 0.001 0.000 0.285 52 V C -0.415 175.488 176.094 -0.320 0.000 1.014 52 V CA -0.481 61.738 62.300 -0.135 0.000 0.831 52 V CB 0.997 32.771 31.823 -0.082 0.000 1.000 52 V HN 0.549 nan 8.190 nan 0.000 0.433 53 I N 6.501 126.811 120.570 -0.433 0.000 2.337 53 I HA 0.426 4.597 4.170 0.001 0.000 0.285 53 I C -0.507 175.311 176.117 -0.499 0.000 1.041 53 I CA -0.029 60.807 61.300 -0.772 0.000 1.199 53 I CB 1.030 38.468 38.000 -0.936 0.000 1.370 53 I HN 0.356 nan 8.210 nan 0.000 0.470 54 L N 5.503 126.478 121.223 -0.413 0.000 2.333 54 L HA 0.590 4.930 4.340 0.001 0.000 0.280 54 L C 0.690 177.442 176.870 -0.196 0.000 1.004 54 L CA -0.686 54.009 54.840 -0.242 0.000 0.820 54 L CB 1.829 43.795 42.059 -0.154 0.000 1.247 54 L HN 0.612 nan 8.230 nan 0.000 0.416 55 G N 2.319 111.028 108.800 -0.152 0.000 2.378 55 G HA2 0.366 4.326 3.960 0.001 0.000 0.255 55 G HA3 0.366 4.326 3.960 0.001 0.000 0.255 55 G C -0.785 174.076 174.900 -0.064 0.000 1.270 55 G CA 0.001 45.043 45.100 -0.097 0.000 0.876 55 G HN 0.623 nan 8.290 nan 0.000 0.521 56 Q N 1.652 121.429 119.800 -0.038 0.000 2.320 56 Q HA 0.395 4.736 4.340 0.001 0.000 0.272 56 Q C -0.573 175.422 176.000 -0.009 0.000 1.023 56 Q CA -0.784 55.005 55.803 -0.023 0.000 0.855 56 Q CB 2.208 30.936 28.738 -0.017 0.000 1.367 56 Q HN 0.286 nan 8.270 nan 0.000 0.406 57 V N 3.515 123.424 119.914 -0.009 0.000 3.212 57 V HA 0.157 4.278 4.120 0.001 0.000 0.244 57 V C 0.335 176.427 176.094 -0.004 0.000 1.151 57 V CA 0.432 62.729 62.300 -0.006 0.000 1.119 57 V CB 0.510 32.327 31.823 -0.010 0.000 0.838 57 V HN 0.665 nan 8.190 nan 0.000 0.470 58 L N 1.738 122.961 121.223 -0.001 0.000 2.502 58 L HA 0.369 4.710 4.340 0.001 0.000 0.247 58 L C -2.152 174.725 176.870 0.012 0.000 1.180 58 L CA -1.019 53.823 54.840 0.004 0.000 0.956 58 L CB 0.919 42.983 42.059 0.007 0.000 1.282 58 L HN 0.161 nan 8.230 nan 0.000 0.470 59 P HA 0.080 nan 4.420 nan 0.000 0.251 59 P C 0.762 178.077 177.300 0.024 0.000 1.223 59 P CA 0.093 63.206 63.100 0.020 0.000 0.796 59 P CB 0.462 32.173 31.700 0.018 0.000 1.068 60 A N 0.723 123.555 122.820 0.020 0.000 2.524 60 A HA 0.432 4.752 4.320 0.001 0.000 0.250 60 A C 1.615 179.218 177.584 0.031 0.000 1.078 60 A CA 0.742 52.793 52.037 0.023 0.000 0.761 60 A CB -1.211 17.801 19.000 0.020 0.000 1.012 60 A HN 0.363 nan 8.150 nan 0.000 0.500 61 G N 1.514 110.333 108.800 0.032 0.000 2.179 61 G HA2 -0.314 3.646 3.960 0.001 0.000 0.260 61 G HA3 -0.314 3.646 3.960 0.001 0.000 0.260 61 G C 0.766 175.691 174.900 0.040 0.000 0.977 61 G CA 0.906 46.028 45.100 0.036 0.000 0.641 61 G HN 0.948 nan 8.290 nan 0.000 0.533 62 E N 0.284 120.510 120.200 0.043 0.000 2.442 62 E HA 0.418 4.768 4.350 0.001 0.000 0.195 62 E C 1.335 177.949 176.600 0.023 0.000 1.030 62 E CA 1.196 57.632 56.400 0.061 0.000 0.869 62 E CB -0.043 29.711 29.700 0.091 0.000 0.857 62 E HN 1.763 nan 8.360 nan 0.000 0.505 63 G N 0.730 109.534 108.800 0.006 0.000 2.479 63 G HA2 -0.234 3.726 3.960 0.001 0.000 0.686 63 G HA3 -0.234 3.726 3.960 0.001 0.000 0.686 63 G C -1.027 173.856 174.900 -0.028 0.000 1.295 63 G CA -0.467 44.622 45.100 -0.018 0.000 0.922 63 G HN 0.224 nan 8.290 nan 0.000 0.582 64 Q N 0.127 119.909 119.800 -0.030 0.000 2.320 64 Q HA 0.140 4.480 4.340 0.001 0.000 0.311 64 Q C 1.131 177.115 176.000 -0.028 0.000 1.083 64 Q CA 0.966 56.756 55.803 -0.022 0.000 1.001 64 Q CB 0.067 28.793 28.738 -0.021 0.000 1.074 64 Q HN 1.116 nan 8.270 nan 0.000 0.379 65 N N 4.763 123.460 118.700 -0.005 0.000 2.717 65 N HA -0.186 4.554 4.740 0.001 0.000 0.298 65 N C -2.369 173.132 175.510 -0.014 0.000 1.128 65 N CA 0.193 53.248 53.050 0.009 0.000 0.778 65 N CB 0.118 38.624 38.487 0.031 0.000 0.972 65 N HN 0.422 nan 8.380 nan 0.000 0.573 66 P HA -0.131 nan 4.420 nan 0.000 0.216 66 P C 1.231 178.523 177.300 -0.014 0.000 1.150 66 P CA 2.195 65.276 63.100 -0.033 0.000 0.837 66 P CB -0.127 31.584 31.700 0.019 0.000 0.786 67 A N 0.036 122.852 122.820 -0.006 0.000 1.971 67 A HA -0.303 4.018 4.320 0.001 0.000 0.222 67 A C 2.407 179.982 177.584 -0.015 0.000 1.182 67 A CA 2.528 54.551 52.037 -0.024 0.000 0.649 67 A CB -1.201 17.770 19.000 -0.048 0.000 0.818 67 A HN 0.068 nan 8.150 nan 0.000 0.458 68 R N -0.243 120.253 120.500 -0.006 0.000 2.115 68 R HA -0.033 4.308 4.340 0.001 0.000 0.226 68 R C 2.184 178.468 176.300 -0.026 0.000 1.100 68 R CA 1.807 57.903 56.100 -0.005 0.000 0.980 68 R CB -0.541 29.761 30.300 0.004 0.000 0.875 68 R HN 0.701 nan 8.270 nan 0.000 0.445 69 Q N -0.586 119.172 119.800 -0.070 0.000 2.119 69 Q HA -0.040 4.301 4.340 0.001 0.000 0.201 69 Q C 1.927 177.929 176.000 0.004 0.000 0.972 69 Q CA 1.572 57.295 55.803 -0.133 0.000 0.847 69 Q CB -0.123 28.335 28.738 -0.466 0.000 0.903 69 Q HN 0.455 nan 8.270 nan 0.000 0.433 70 A N 0.531 123.388 122.820 0.062 0.000 2.119 70 A HA 0.100 4.420 4.320 0.001 0.000 0.217 70 A C 2.029 179.645 177.584 0.054 0.000 1.153 70 A CA 1.216 53.322 52.037 0.114 0.000 0.692 70 A CB -0.223 18.833 19.000 0.094 0.000 0.799 70 A HN 0.357 nan 8.150 nan 0.000 0.458 71 A N -0.916 121.918 122.820 0.024 0.000 1.881 71 A HA 0.164 4.484 4.320 0.001 0.000 0.210 71 A C 2.042 179.636 177.584 0.016 0.000 1.239 71 A CA 1.154 53.199 52.037 0.012 0.000 0.629 71 A CB -0.486 18.515 19.000 0.001 0.000 0.906 71 A HN 0.297 nan 8.150 nan 0.000 0.460 72 M N 0.118 119.726 119.600 0.013 0.000 2.143 72 M HA -0.212 4.268 4.480 0.001 0.000 0.258 72 M C 2.060 178.372 176.300 0.020 0.000 1.071 72 M CA 2.120 57.427 55.300 0.012 0.000 1.088 72 M CB -0.950 31.652 32.600 0.003 0.000 1.360 72 M HN 0.571 nan 8.290 nan 0.000 0.404 73 K N -0.108 120.314 120.400 0.036 0.000 2.103 73 K HA -0.004 4.316 4.320 0.001 0.000 0.204 73 K C 1.885 178.506 176.600 0.036 0.000 1.052 73 K CA 1.166 57.482 56.287 0.048 0.000 0.945 73 K CB -0.048 32.509 32.500 0.095 0.000 0.722 73 K HN 0.226 nan 8.250 nan 0.000 0.443 74 A N 0.044 122.885 122.820 0.034 0.000 2.076 74 A HA 0.003 4.323 4.320 0.001 0.000 0.220 74 A C 1.626 179.218 177.584 0.014 0.000 1.160 74 A CA 1.712 53.762 52.037 0.022 0.000 0.653 74 A CB -0.629 18.382 19.000 0.019 0.000 0.801 74 A HN 0.642 nan 8.150 nan 0.000 0.455 75 G N -2.866 105.942 108.800 0.013 0.000 2.284 75 G HA2 -0.161 3.799 3.960 0.001 0.000 0.201 75 G HA3 -0.161 3.799 3.960 0.001 0.000 0.201 75 G C 0.207 175.112 174.900 0.008 0.000 0.998 75 G CA -0.104 45.002 45.100 0.009 0.000 0.651 75 G HN 0.794 nan 8.290 nan 0.000 0.489 76 V N 4.199 124.118 119.914 0.008 0.000 2.617 76 V HA 0.286 4.406 4.120 0.001 0.000 0.304 76 V C -0.802 175.297 176.094 0.009 0.000 1.040 76 V CA -0.313 61.992 62.300 0.008 0.000 1.149 76 V CB 0.639 32.466 31.823 0.006 0.000 0.914 76 V HN 0.335 nan 8.190 nan 0.000 0.487 77 P HA 0.046 nan 4.420 nan 0.000 0.270 77 P C 0.363 177.669 177.300 0.010 0.000 1.223 77 P CA -0.271 62.834 63.100 0.009 0.000 0.785 77 P CB 0.462 32.168 31.700 0.009 0.000 0.923 78 Q N 0.192 119.997 119.800 0.009 0.000 2.369 78 Q HA -0.138 4.203 4.340 0.001 0.000 0.206 78 Q C 0.846 176.853 176.000 0.012 0.000 0.963 78 Q CA 1.346 57.155 55.803 0.010 0.000 0.894 78 Q CB -0.440 28.302 28.738 0.007 0.000 0.965 78 Q HN 0.339 nan 8.270 nan 0.000 0.475 79 E N 1.300 121.507 120.200 0.011 0.000 2.427 79 E HA 0.121 4.471 4.350 0.001 0.000 0.196 79 E C 0.453 177.063 176.600 0.017 0.000 1.028 79 E CA 0.716 57.124 56.400 0.012 0.000 0.864 79 E CB 0.047 29.753 29.700 0.010 0.000 0.813 79 E HN 0.520 nan 8.360 nan 0.000 0.514 80 A N 0.161 122.993 122.820 0.020 0.000 2.250 80 A HA 0.599 4.919 4.320 0.001 0.000 0.283 80 A C 0.297 177.904 177.584 0.038 0.000 1.206 80 A CA -0.212 51.841 52.037 0.027 0.000 0.840 80 A CB 0.559 19.573 19.000 0.023 0.000 1.220 80 A HN 0.093 nan 8.150 nan 0.000 0.505 81 T N -0.806 113.782 114.554 0.056 0.000 2.900 81 T HA 0.715 5.066 4.350 0.001 0.000 0.303 81 T C -0.793 173.978 174.700 0.119 0.000 1.142 81 T CA 0.297 62.450 62.100 0.088 0.000 1.007 81 T CB 1.833 70.761 68.868 0.101 0.000 1.156 81 T HN 1.686 nan 8.240 nan 0.000 0.490 82 A N 2.188 125.103 122.820 0.159 0.000 2.517 82 A HA 0.829 5.149 4.320 0.001 0.000 0.297 82 A C -1.880 175.855 177.584 0.253 0.000 1.050 82 A CA -1.033 51.083 52.037 0.133 0.000 0.694 82 A CB 1.457 20.478 19.000 0.035 0.000 1.277 82 A HN 0.829 nan 8.150 nan 0.000 0.400 83 W N 1.152 122.441 121.300 -0.019 0.000 3.042 83 W HA 0.804 5.464 4.660 0.001 0.000 0.342 83 W C -0.295 176.212 176.519 -0.020 0.000 1.240 83 W CA -0.993 56.340 57.345 -0.019 0.000 1.166 83 W CB 1.045 30.493 29.460 -0.020 0.000 1.469 83 W HN 1.227 nan 8.180 nan 0.000 0.579 84 G N 0.887 109.789 108.800 0.171 0.000 2.498 84 G HA2 0.795 4.756 3.960 0.001 0.000 0.312 84 G HA3 0.795 4.756 3.960 0.001 0.000 0.312 84 G C -1.273 173.714 174.900 0.144 0.000 1.230 84 G CA -1.071 44.040 45.100 0.018 0.000 0.968 84 G HN 0.565 nan 8.290 nan 0.000 0.481 85 M N -0.511 119.109 119.600 0.034 0.000 2.716 85 M HA 0.713 5.193 4.480 0.001 0.000 0.278 85 M C -1.118 175.205 176.300 0.038 0.000 1.281 85 M CA -1.210 54.149 55.300 0.098 0.000 0.814 85 M CB 2.199 34.877 32.600 0.130 0.000 1.719 85 M HN 0.330 nan 8.290 nan 0.000 0.457 86 N N 0.339 119.069 118.700 0.050 0.000 2.751 86 N HA 0.207 4.948 4.740 0.001 0.000 0.238 86 N C -1.702 173.831 175.510 0.037 0.000 1.351 86 N CA -0.048 53.021 53.050 0.031 0.000 0.751 86 N CB 1.060 39.565 38.487 0.029 0.000 1.342 86 N HN 0.930 nan 8.380 nan 0.000 0.540 87 Q N 3.980 123.800 119.800 0.033 0.000 2.286 87 Q HA 0.355 4.695 4.340 0.001 0.000 0.281 87 Q C 0.340 176.361 176.000 0.035 0.000 0.897 87 Q CA -0.232 55.597 55.803 0.043 0.000 1.023 87 Q CB -0.123 28.646 28.738 0.052 0.000 1.151 87 Q HN 0.703 nan 8.270 nan 0.000 0.445 88 L N -2.260 118.977 121.223 0.023 0.000 6.223 88 L HA -0.524 3.817 4.340 0.001 0.000 0.053 88 L C 1.293 178.168 176.870 0.009 0.000 2.244 88 L CA 1.378 56.227 54.840 0.014 0.000 1.647 88 L CB -1.584 40.488 42.059 0.022 0.000 2.769 88 L HN 0.369 nan 8.230 nan 0.000 1.016 89 C N 0.595 119.902 119.300 0.013 0.000 2.443 89 C HA 0.012 4.473 4.460 0.001 0.000 0.290 89 C C 2.222 177.220 174.990 0.013 0.000 1.476 89 C CA 0.748 59.770 59.018 0.006 0.000 1.772 89 C CB -1.808 25.936 27.740 0.006 0.000 1.714 89 C HN 0.799 nan 8.230 nan 0.000 0.562 90 G N -0.165 108.650 108.800 0.024 0.000 2.838 90 G HA2 0.003 3.963 3.960 0.001 0.000 0.210 90 G HA3 0.003 3.963 3.960 0.001 0.000 0.210 90 G C 1.583 176.489 174.900 0.009 0.000 1.153 90 G CA 0.577 45.694 45.100 0.029 0.000 0.778 90 G HN 0.510 nan 8.290 nan 0.000 0.539 91 S N 1.188 116.887 115.700 -0.001 0.000 2.365 91 S HA -0.137 4.334 4.470 0.001 0.000 0.225 91 S C 2.553 177.123 174.600 -0.050 0.000 1.039 91 S CA 1.382 59.569 58.200 -0.021 0.000 1.033 91 S CB -0.715 62.472 63.200 -0.022 0.000 0.887 91 S HN 0.487 nan 8.310 nan 0.000 0.447 92 G N 1.088 109.861 108.800 -0.045 0.000 2.475 92 G HA2 -0.194 3.766 3.960 0.001 0.000 0.220 92 G HA3 -0.194 3.766 3.960 0.001 0.000 0.220 92 G C 1.365 176.228 174.900 -0.062 0.000 1.125 92 G CA 1.166 46.232 45.100 -0.058 0.000 0.755 92 G HN 0.431 nan 8.290 nan 0.000 0.565 93 L N -0.379 120.817 121.223 -0.044 0.000 2.316 93 L HA 0.426 4.766 4.340 0.001 0.000 0.207 93 L C 2.549 179.373 176.870 -0.077 0.000 1.070 93 L CA 1.005 55.819 54.840 -0.045 0.000 0.820 93 L CB -0.395 41.660 42.059 -0.006 0.000 0.992 93 L HN 0.100 nan 8.230 nan 0.000 0.466 94 R N 0.601 121.061 120.500 -0.066 0.000 2.139 94 R HA -0.110 4.231 4.340 0.001 0.000 0.243 94 R C 2.085 178.278 176.300 -0.178 0.000 1.145 94 R CA 1.671 57.703 56.100 -0.114 0.000 0.976 94 R CB -0.869 29.402 30.300 -0.048 0.000 0.866 94 R HN 0.512 nan 8.270 nan 0.000 0.449 95 A N -0.469 122.258 122.820 -0.156 0.000 1.865 95 A HA -0.140 4.180 4.320 0.001 0.000 0.217 95 A C 2.333 179.789 177.584 -0.214 0.000 1.191 95 A CA 1.919 53.830 52.037 -0.210 0.000 0.623 95 A CB -0.935 17.938 19.000 -0.211 0.000 0.826 95 A HN 0.167 nan 8.150 nan 0.000 0.444 96 V N -0.018 119.792 119.914 -0.173 0.000 2.324 96 V HA -0.306 3.815 4.120 0.001 0.000 0.250 96 V C 3.068 179.040 176.094 -0.203 0.000 1.060 96 V CA 2.144 64.349 62.300 -0.157 0.000 1.042 96 V CB -1.379 30.377 31.823 -0.113 0.000 0.650 96 V HN 0.655 nan 8.190 nan 0.000 0.450 97 A N -0.308 122.345 122.820 -0.279 0.000 1.865 97 A HA -0.203 4.117 4.320 0.001 0.000 0.217 97 A C 2.236 179.510 177.584 -0.517 0.000 1.191 97 A CA 2.032 53.763 52.037 -0.510 0.000 0.623 97 A CB -0.644 17.887 19.000 -0.780 0.000 0.826 97 A HN 0.492 nan 8.150 nan 0.000 0.444 98 L N -0.685 120.311 121.223 -0.378 0.000 2.043 98 L HA -0.213 4.127 4.340 0.001 0.000 0.212 98 L C 2.826 179.637 176.870 -0.098 0.000 1.075 98 L CA 1.231 55.958 54.840 -0.187 0.000 0.752 98 L CB -0.949 41.094 42.059 -0.027 0.000 0.891 98 L HN 0.542 nan 8.230 nan 0.000 0.432 99 G N -0.452 108.269 108.800 -0.131 0.000 2.469 99 G HA2 -0.336 3.625 3.960 0.001 0.000 0.220 99 G HA3 -0.336 3.625 3.960 0.001 0.000 0.220 99 G C 1.590 176.451 174.900 -0.064 0.000 1.136 99 G CA 0.841 45.890 45.100 -0.084 0.000 0.759 99 G HN 0.225 nan 8.290 nan 0.000 0.562 100 M N 0.447 119.984 119.600 -0.106 0.000 2.132 100 M HA -0.047 4.434 4.480 0.001 0.000 0.263 100 M C 2.491 178.780 176.300 -0.018 0.000 1.065 100 M CA 1.535 56.798 55.300 -0.061 0.000 1.122 100 M CB -0.716 31.839 32.600 -0.075 0.000 1.365 100 M HN 0.351 nan 8.290 nan 0.000 0.411 101 Q N -0.193 119.588 119.800 -0.033 0.000 2.170 101 Q HA -0.198 4.142 4.340 0.001 0.000 0.203 101 Q C 2.013 178.036 176.000 0.040 0.000 0.976 101 Q CA 1.302 57.123 55.803 0.031 0.000 0.858 101 Q CB -0.133 28.627 28.738 0.036 0.000 0.907 101 Q HN 0.591 nan 8.270 nan 0.000 0.433 102 Q N 0.546 120.367 119.800 0.035 0.000 2.020 102 Q HA -0.115 4.225 4.340 0.001 0.000 0.202 102 Q C 2.124 178.144 176.000 0.034 0.000 0.982 102 Q CA 1.296 57.126 55.803 0.046 0.000 0.838 102 Q CB -0.297 28.481 28.738 0.066 0.000 0.899 102 Q HN 0.476 nan 8.270 nan 0.000 0.423 103 I N 0.651 121.236 120.570 0.025 0.000 2.676 103 I HA -0.146 4.024 4.170 0.001 0.000 0.259 103 I C 2.252 178.384 176.117 0.025 0.000 1.194 103 I CA 0.657 61.969 61.300 0.021 0.000 1.473 103 I CB -0.333 37.675 38.000 0.013 0.000 1.096 103 I HN 0.038 nan 8.210 nan 0.000 0.443 104 A N 1.236 124.075 122.820 0.032 0.000 1.854 104 A HA -0.162 4.159 4.320 0.001 0.000 0.214 104 A C 2.414 180.021 177.584 0.038 0.000 1.192 104 A CA 2.021 54.083 52.037 0.041 0.000 0.611 104 A CB -1.202 17.835 19.000 0.061 0.000 0.832 104 A HN 0.452 nan 8.150 nan 0.000 0.442 105 T N -2.705 111.873 114.554 0.040 0.000 3.077 105 T HA 0.295 4.645 4.350 0.001 0.000 0.269 105 T C 1.279 175.994 174.700 0.025 0.000 1.146 105 T CA 1.043 63.163 62.100 0.034 0.000 1.091 105 T CB -0.736 68.152 68.868 0.034 0.000 0.892 105 T HN 1.829 nan 8.240 nan 0.000 0.533 106 G N 1.397 110.212 108.800 0.024 0.000 2.289 106 G HA2 -0.178 3.782 3.960 0.001 0.000 0.280 106 G HA3 -0.178 3.782 3.960 0.001 0.000 0.280 106 G C 0.109 175.020 174.900 0.018 0.000 1.089 106 G CA 0.166 45.278 45.100 0.019 0.000 0.939 106 G HN 0.536 nan 8.290 nan 0.000 0.499 107 D N -0.832 119.580 120.400 0.021 0.000 2.489 107 D HA 0.452 5.092 4.640 0.001 0.000 0.231 107 D C 1.305 177.619 176.300 0.024 0.000 1.114 107 D CA 1.087 55.098 54.000 0.019 0.000 0.842 107 D CB 0.881 41.692 40.800 0.018 0.000 1.133 107 D HN 0.924 nan 8.370 nan 0.000 0.506 108 A N -0.594 122.241 122.820 0.026 0.000 2.530 108 A HA 0.680 5.001 4.320 0.001 0.000 0.288 108 A C 0.313 177.909 177.584 0.020 0.000 1.172 108 A CA -0.293 51.761 52.037 0.027 0.000 0.733 108 A CB 1.699 20.722 19.000 0.038 0.000 1.320 108 A HN -0.117 nan 8.150 nan 0.000 0.419 109 S N -0.928 114.782 115.700 0.017 0.000 2.931 109 S HA 0.396 4.866 4.470 0.001 0.000 0.251 109 S C 0.042 174.646 174.600 0.008 0.000 1.078 109 S CA 0.422 58.630 58.200 0.012 0.000 0.835 109 S CB 0.117 63.323 63.200 0.011 0.000 0.798 109 S HN 0.514 nan 8.310 nan 0.000 0.495 110 I N 2.723 123.298 120.570 0.008 0.000 2.439 110 I HA 0.413 4.583 4.170 0.001 0.000 0.285 110 I C -1.449 174.667 176.117 -0.001 0.000 1.021 110 I CA -0.335 60.966 61.300 0.001 0.000 1.091 110 I CB 1.727 39.728 38.000 0.001 0.000 1.242 110 I HN 0.119 nan 8.210 nan 0.000 0.439 111 I N 6.835 127.398 120.570 -0.013 0.000 2.509 111 I HA 0.398 4.568 4.170 0.001 0.000 0.293 111 I C -0.368 175.722 176.117 -0.046 0.000 1.020 111 I CA -0.918 60.368 61.300 -0.024 0.000 1.088 111 I CB 2.162 40.146 38.000 -0.027 0.000 1.267 111 I HN 0.094 nan 8.210 nan 0.000 0.430 112 V N 5.160 125.039 119.914 -0.058 0.000 2.350 112 V HA 0.695 4.816 4.120 0.001 0.000 0.276 112 V C 0.212 176.237 176.094 -0.114 0.000 1.028 112 V CA -0.215 62.043 62.300 -0.070 0.000 0.860 112 V CB 1.301 33.092 31.823 -0.054 0.000 0.990 112 V HN 0.898 nan 8.190 nan 0.000 0.453 113 A N 4.098 126.849 122.820 -0.117 0.000 2.422 113 A HA 1.020 5.340 4.320 0.001 0.000 0.302 113 A C 0.104 177.609 177.584 -0.132 0.000 1.041 113 A CA 0.202 52.144 52.037 -0.158 0.000 0.708 113 A CB 2.056 20.954 19.000 -0.171 0.000 1.257 113 A HN 1.298 nan 8.150 nan 0.000 0.414 114 G N -0.035 108.676 108.800 -0.148 0.000 2.566 114 G HA2 0.641 4.602 3.960 0.001 0.000 0.138 114 G HA3 0.641 4.602 3.960 0.001 0.000 0.138 114 G C -0.149 174.682 174.900 -0.115 0.000 1.133 114 G CA 0.511 45.544 45.100 -0.113 0.000 1.037 114 G HN 1.928 nan 8.290 nan 0.000 0.491 115 G N -0.672 108.075 108.800 -0.089 0.000 2.695 115 G HA2 0.832 4.792 3.960 0.001 0.000 0.290 115 G HA3 0.832 4.792 3.960 0.001 0.000 0.290 115 G C -0.710 174.144 174.900 -0.077 0.000 1.410 115 G CA 0.091 45.142 45.100 -0.083 0.000 0.844 115 G HN 1.747 nan 8.290 nan 0.000 0.478 116 M N -0.501 119.055 119.600 -0.073 0.000 2.449 116 M HA 0.837 5.318 4.480 0.001 0.000 0.291 116 M C -2.160 174.101 176.300 -0.066 0.000 1.148 116 M CA -0.816 54.436 55.300 -0.081 0.000 0.925 116 M CB 2.538 35.088 32.600 -0.084 0.000 1.767 116 M HN 0.536 nan 8.290 nan 0.000 0.503 117 E N 1.042 121.197 120.200 -0.074 0.000 2.381 117 E HA 0.494 4.844 4.350 0.001 0.000 0.286 117 E C -1.944 174.626 176.600 -0.050 0.000 0.960 117 E CA -0.235 56.136 56.400 -0.047 0.000 0.793 117 E CB 2.474 32.156 29.700 -0.031 0.000 1.225 117 E HN 0.724 nan 8.360 nan 0.000 0.420 118 S N 5.261 120.944 115.700 -0.029 0.000 2.426 118 S HA 0.260 4.730 4.470 0.001 0.000 0.236 118 S C 0.827 175.451 174.600 0.041 0.000 1.368 118 S CA -0.385 57.812 58.200 -0.005 0.000 1.154 118 S CB 0.041 63.222 63.200 -0.030 0.000 1.037 118 S HN 0.717 nan 8.310 nan 0.000 0.481 119 M N 1.890 121.542 119.600 0.086 0.000 2.202 119 M HA -0.087 4.393 4.480 0.001 0.000 0.262 119 M C 2.298 178.743 176.300 0.242 0.000 1.063 119 M CA 1.321 56.722 55.300 0.168 0.000 1.097 119 M CB -0.504 32.211 32.600 0.192 0.000 1.382 119 M HN 0.557 nan 8.290 nan 0.000 0.413 120 S N 0.204 115.982 115.700 0.129 0.000 2.387 120 S HA -0.091 4.379 4.470 0.001 0.000 0.230 120 S C 1.742 176.301 174.600 -0.069 0.000 1.035 120 S CA 1.176 59.303 58.200 -0.122 0.000 1.014 120 S CB -0.122 62.988 63.200 -0.150 0.000 0.836 120 S HN 0.425 nan 8.310 nan 0.000 0.466 121 M N 0.656 120.254 119.600 -0.004 0.000 2.502 121 M HA 0.303 4.783 4.480 0.001 0.000 0.243 121 M C 0.777 177.097 176.300 0.033 0.000 1.130 121 M CA -0.225 55.079 55.300 0.007 0.000 1.055 121 M CB -1.316 31.288 32.600 0.006 0.000 1.457 121 M HN 0.148 nan 8.290 nan 0.000 0.488 122 A N 3.952 126.800 122.820 0.048 0.000 2.537 122 A HA 0.289 4.610 4.320 0.001 0.000 0.260 122 A C -1.902 175.707 177.584 0.042 0.000 1.082 122 A CA -0.721 51.341 52.037 0.041 0.000 0.765 122 A CB -0.902 18.122 19.000 0.041 0.000 1.019 122 A HN 0.174 nan 8.150 nan 0.000 0.507 123 P HA 0.288 nan 4.420 nan 0.000 0.276 123 P C -0.691 176.643 177.300 0.056 0.000 1.261 123 P CA -0.200 62.959 63.100 0.099 0.000 0.800 123 P CB 0.571 32.322 31.700 0.086 0.000 1.066 124 H N -1.223 117.877 119.070 0.051 0.000 2.472 124 H HA 0.444 5.000 4.556 0.001 0.000 0.335 124 H C 0.288 175.653 175.328 0.062 0.000 1.136 124 H CA -0.080 56.002 56.048 0.056 0.000 1.264 124 H CB 0.481 30.274 29.762 0.052 0.000 1.486 124 H HN 0.594 nan 8.280 nan 0.000 0.517 125 C N 0.481 119.882 119.300 0.169 0.000 3.154 125 C HA 1.005 5.465 4.460 0.001 0.000 0.312 125 C C -0.607 174.482 174.990 0.166 0.000 1.349 125 C CA -0.855 58.247 59.018 0.140 0.000 1.518 125 C CB 0.836 28.630 27.740 0.091 0.000 1.934 125 C HN 1.000 nan 8.230 nan 0.000 0.462 126 A N 0.113 123.035 122.820 0.171 0.000 2.513 126 A HA 0.605 4.926 4.320 0.001 0.000 0.296 126 A C -1.042 176.626 177.584 0.140 0.000 1.052 126 A CA -0.236 51.919 52.037 0.196 0.000 0.714 126 A CB 0.517 19.734 19.000 0.360 0.000 1.279 126 A HN 1.245 nan 8.150 nan 0.000 0.397 127 H N 3.151 122.224 119.070 0.005 0.000 2.955 127 H HA 0.388 4.945 4.556 0.001 0.000 0.290 127 H C -0.470 174.786 175.328 -0.120 0.000 1.047 127 H CA 0.261 56.284 56.048 -0.041 0.000 1.484 127 H CB 0.496 30.237 29.762 -0.034 0.000 1.501 127 H HN 0.564 nan 8.280 nan 0.000 0.521 128 L N 4.850 125.862 121.223 -0.352 0.000 3.135 128 L HA 0.191 4.532 4.340 0.001 0.000 0.279 128 L C 2.197 178.841 176.870 -0.376 0.000 1.200 128 L CA -0.093 54.505 54.840 -0.403 0.000 1.016 128 L CB 0.206 42.124 42.059 -0.236 0.000 1.391 128 L HN 0.563 nan 8.230 nan 0.000 0.588 129 R N 0.547 120.770 120.500 -0.462 0.000 2.193 129 R HA -0.072 4.268 4.340 0.001 0.000 0.229 129 R C 2.199 178.355 176.300 -0.239 0.000 1.110 129 R CA 1.297 57.243 56.100 -0.257 0.000 0.988 129 R CB -0.151 30.092 30.300 -0.096 0.000 0.871 129 R HN 0.415 nan 8.270 nan 0.000 0.458 130 G N -0.261 108.337 108.800 -0.337 0.000 2.403 130 G HA2 0.019 3.979 3.960 0.001 0.000 0.216 130 G HA3 0.019 3.979 3.960 0.001 0.000 0.216 130 G C 0.564 175.364 174.900 -0.167 0.000 1.154 130 G CA 0.528 45.500 45.100 -0.213 0.000 0.784 130 G HN 0.479 nan 8.290 nan 0.000 0.538 131 G N -0.493 108.182 108.800 -0.209 0.000 2.799 131 G HA2 -0.011 3.950 3.960 0.001 0.000 0.271 131 G HA3 -0.011 3.950 3.960 0.001 0.000 0.271 131 G C -0.056 174.762 174.900 -0.137 0.000 1.067 131 G CA -0.375 44.631 45.100 -0.156 0.000 1.251 131 G HN 0.949 nan 8.290 nan 0.000 0.560 132 V N 2.875 122.675 119.914 -0.191 0.000 2.539 132 V HA -0.067 4.054 4.120 0.001 0.000 0.294 132 V C 2.058 178.134 176.094 -0.030 0.000 0.994 132 V CA 1.496 63.724 62.300 -0.119 0.000 1.169 132 V CB 0.833 32.584 31.823 -0.121 0.000 0.898 132 V HN 0.841 nan 8.190 nan 0.000 0.471 133 K N 5.474 125.862 120.400 -0.020 0.000 2.057 133 K HA -0.023 4.297 4.320 0.001 0.000 0.206 133 K C 0.594 177.204 176.600 0.017 0.000 1.050 133 K CA 1.464 57.748 56.287 -0.003 0.000 0.935 133 K CB 0.201 32.697 32.500 -0.007 0.000 0.715 133 K HN 0.853 nan 8.250 nan 0.000 0.439 134 M N -3.137 116.481 119.600 0.030 0.000 2.694 134 M HA 0.440 4.920 4.480 0.001 0.000 0.276 134 M C -0.982 175.354 176.300 0.061 0.000 1.167 134 M CA -0.236 55.091 55.300 0.045 0.000 0.849 134 M CB 2.020 34.638 32.600 0.030 0.000 1.705 134 M HN 0.164 nan 8.290 nan 0.000 0.504 135 G N 1.387 110.227 108.800 0.068 0.000 2.663 135 G HA2 0.026 3.986 3.960 0.001 0.000 0.686 135 G HA3 0.026 3.986 3.960 0.001 0.000 0.686 135 G C -1.669 173.297 174.900 0.111 0.000 1.246 135 G CA -0.490 44.653 45.100 0.071 0.000 0.795 135 G HN 1.001 nan 8.290 nan 0.000 0.627 136 D N -0.163 120.278 120.400 0.069 0.000 2.357 136 D HA 0.591 5.231 4.640 0.001 0.000 0.242 136 D C 0.600 176.976 176.300 0.126 0.000 1.153 136 D CA 0.882 54.895 54.000 0.023 0.000 0.918 136 D CB 0.710 41.489 40.800 -0.035 0.000 1.181 136 D HN 0.650 nan 8.370 nan 0.000 0.435 137 F N -2.195 117.761 119.950 0.011 0.000 2.588 137 F HA 0.530 5.057 4.527 0.000 0.000 0.314 137 F C -0.163 175.652 175.800 0.024 0.000 1.069 137 F CA -1.338 56.672 58.000 0.016 0.000 0.931 137 F CB 1.220 40.227 39.000 0.011 0.000 1.260 137 F HN -0.143 nan 8.300 nan 0.000 0.465 138 K N 2.542 123.048 120.400 0.177 0.000 2.218 138 K HA 0.377 4.698 4.320 0.001 0.000 0.276 138 K C -0.647 176.035 176.600 0.136 0.000 1.022 138 K CA -0.658 55.680 56.287 0.085 0.000 0.946 138 K CB 0.908 33.468 32.500 0.100 0.000 1.000 138 K HN 0.569 nan 8.250 nan 0.000 0.468 139 M N 4.407 124.045 119.600 0.063 0.000 2.069 139 M HA 0.275 4.755 4.480 0.001 0.000 0.349 139 M C -0.410 176.011 176.300 0.203 0.000 1.194 139 M CA -0.634 54.746 55.300 0.133 0.000 1.081 139 M CB 0.457 33.092 32.600 0.057 0.000 1.500 139 M HN 0.347 nan 8.290 nan 0.000 0.438 140 I N 2.657 123.338 120.570 0.184 0.000 2.371 140 I HA 0.097 4.267 4.170 0.001 0.000 0.290 140 I C 0.633 176.771 176.117 0.035 0.000 1.028 140 I CA -0.287 61.089 61.300 0.127 0.000 1.345 140 I CB 0.773 38.818 38.000 0.075 0.000 1.407 140 I HN 0.496 nan 8.210 nan 0.000 0.501 141 D N 5.562 125.915 120.400 -0.078 0.000 2.348 141 D HA -0.015 4.626 4.640 0.001 0.000 0.259 141 D C 1.498 177.656 176.300 -0.237 0.000 1.296 141 D CA 0.067 53.766 54.000 -0.501 0.000 0.931 141 D CB 0.965 41.587 40.800 -0.297 0.000 1.067 141 D HN 0.707 nan 8.370 nan 0.000 0.503 142 T N 1.553 115.980 114.554 -0.211 0.000 2.699 142 T HA -0.296 4.055 4.350 0.001 0.000 0.268 142 T C 2.061 176.715 174.700 -0.076 0.000 1.036 142 T CA 1.076 63.119 62.100 -0.095 0.000 1.147 142 T CB -0.275 68.559 68.868 -0.055 0.000 0.862 142 T HN 0.496 nan 8.240 nan 0.000 0.446 143 M N 0.352 119.905 119.600 -0.078 0.000 2.089 143 M HA -0.113 4.367 4.480 0.001 0.000 0.257 143 M C 1.937 178.210 176.300 -0.045 0.000 1.071 143 M CA 1.985 57.265 55.300 -0.033 0.000 1.096 143 M CB -0.300 32.313 32.600 0.021 0.000 1.330 143 M HN 0.221 nan 8.290 nan 0.000 0.403 144 I N 0.238 120.780 120.570 -0.047 0.000 2.286 144 I HA -0.200 3.971 4.170 0.001 0.000 0.245 144 I C 2.359 178.441 176.117 -0.058 0.000 1.104 144 I CA 1.350 62.630 61.300 -0.034 0.000 1.397 144 I CB -1.423 36.589 38.000 0.020 0.000 1.072 144 I HN 0.325 nan 8.210 nan 0.000 0.417 145 K N 1.518 121.887 120.400 -0.051 0.000 2.031 145 K HA -0.137 4.184 4.320 0.001 0.000 0.205 145 K C 1.300 177.859 176.600 -0.068 0.000 1.049 145 K CA 1.714 57.970 56.287 -0.052 0.000 0.939 145 K CB -0.110 32.367 32.500 -0.037 0.000 0.717 145 K HN 0.103 nan 8.250 nan 0.000 0.438 146 D N -1.553 118.811 120.400 -0.061 0.000 2.360 146 D HA 0.157 4.797 4.640 0.001 0.000 0.210 146 D C 1.106 177.373 176.300 -0.055 0.000 1.047 146 D CA 0.759 54.724 54.000 -0.058 0.000 0.854 146 D CB 0.928 41.703 40.800 -0.043 0.000 0.936 146 D HN 0.428 nan 8.370 nan 0.000 0.514 147 G N -0.676 108.087 108.800 -0.061 0.000 2.815 147 G HA2 0.184 4.145 3.960 0.001 0.000 0.215 147 G HA3 0.184 4.145 3.960 0.001 0.000 0.215 147 G C 1.059 175.908 174.900 -0.084 0.000 1.054 147 G CA -0.054 45.012 45.100 -0.056 0.000 0.832 147 G HN 0.204 nan 8.290 nan 0.000 0.557 148 L N 0.462 121.602 121.223 -0.138 0.000 3.327 148 L HA 0.277 4.618 4.340 0.001 0.000 0.299 148 L C -0.011 176.659 176.870 -0.334 0.000 1.201 148 L CA 0.188 54.858 54.840 -0.283 0.000 1.059 148 L CB 1.378 43.192 42.059 -0.408 0.000 1.488 148 L HN -0.076 nan 8.230 nan 0.000 0.609 149 T N -0.273 114.172 114.554 -0.181 0.000 2.824 149 T HA 0.213 4.563 4.350 0.001 0.000 0.280 149 T C -0.648 173.985 174.700 -0.112 0.000 0.995 149 T CA -0.374 61.652 62.100 -0.123 0.000 1.009 149 T CB 2.185 71.007 68.868 -0.077 0.000 0.955 149 T HN -0.100 nan 8.240 nan 0.000 0.452 150 D N 1.715 122.055 120.400 -0.100 0.000 2.383 150 D HA 0.350 4.990 4.640 0.001 0.000 0.252 150 D C 0.858 177.021 176.300 -0.229 0.000 1.166 150 D CA -0.249 53.682 54.000 -0.116 0.000 0.879 150 D CB 0.729 41.463 40.800 -0.110 0.000 1.164 150 D HN 0.577 nan 8.370 nan 0.000 0.462 151 A N 3.311 125.882 122.820 -0.414 0.000 2.238 151 A HA 0.060 4.381 4.320 0.001 0.000 0.208 151 A C 0.861 177.999 177.584 -0.744 0.000 1.177 151 A CA 0.368 52.041 52.037 -0.607 0.000 0.804 151 A CB -0.381 18.172 19.000 -0.745 0.000 0.823 151 A HN 0.601 nan 8.150 nan 0.000 0.482 152 F N -3.892 115.945 119.950 -0.188 0.000 2.740 152 F HA 0.282 4.809 4.527 0.001 0.000 0.304 152 F C 1.187 176.580 175.800 -0.678 0.000 1.098 152 F CA 0.195 57.971 58.000 -0.373 0.000 1.258 152 F CB 0.249 39.053 39.000 -0.328 0.000 1.061 152 F HN 0.228 nan 8.300 nan 0.000 0.598 153 Y N -0.884 119.301 120.300 -0.192 0.000 2.540 153 Y HA 0.416 4.966 4.550 0.001 0.000 0.257 153 Y C 1.803 177.415 175.900 -0.479 0.000 1.090 153 Y CA -0.054 57.801 58.100 -0.409 0.000 1.242 153 Y CB 0.819 38.808 38.460 -0.784 0.000 1.325 153 Y HN 0.016 nan 8.280 nan 0.000 0.544 154 G N 0.694 109.338 108.800 -0.260 0.000 2.155 154 G HA2 -0.349 3.612 3.960 0.001 0.000 0.257 154 G HA3 -0.349 3.612 3.960 0.001 0.000 0.257 154 G C -0.266 174.627 174.900 -0.012 0.000 0.983 154 G CA 0.757 45.786 45.100 -0.119 0.000 0.676 154 G HN 0.447 nan 8.290 nan 0.000 0.528 155 Y N -1.427 118.938 120.300 0.109 0.000 2.528 155 Y HA 0.800 5.351 4.550 0.001 0.000 0.335 155 Y C 0.493 176.446 175.900 0.088 0.000 1.093 155 Y CA -2.863 55.300 58.100 0.105 0.000 1.134 155 Y CB 0.555 39.071 38.460 0.094 0.000 1.253 155 Y HN 0.263 nan 8.280 nan 0.000 0.478 156 H N 2.935 122.165 119.070 0.268 0.000 2.998 156 H HA -0.001 4.555 4.556 0.001 0.000 0.353 156 H C 1.111 176.462 175.328 0.039 0.000 1.099 156 H CA 0.636 56.765 56.048 0.136 0.000 1.393 156 H CB 0.981 30.840 29.762 0.163 0.000 1.343 156 H HN 0.861 nan 8.280 nan 0.000 0.609 157 M N 3.141 122.801 119.600 0.101 0.000 2.195 157 M HA -0.126 4.354 4.480 0.001 0.000 0.260 157 M C 2.393 178.543 176.300 -0.250 0.000 1.066 157 M CA 1.479 56.849 55.300 0.117 0.000 1.089 157 M CB -1.624 31.157 32.600 0.303 0.000 1.377 157 M HN 0.785 nan 8.290 nan 0.000 0.411 158 G N -0.544 107.975 108.800 -0.469 0.000 2.450 158 G HA2 -0.209 3.751 3.960 0.001 0.000 0.220 158 G HA3 -0.209 3.751 3.960 0.001 0.000 0.220 158 G C 1.568 175.783 174.900 -1.142 0.000 1.130 158 G CA 1.528 45.627 45.100 -1.669 0.000 0.760 158 G HN 0.425 nan 8.290 nan 0.000 0.557 159 T N 0.751 114.914 114.554 -0.652 0.000 2.821 159 T HA -0.138 4.212 4.350 0.001 0.000 0.267 159 T C 2.792 177.217 174.700 -0.458 0.000 1.046 159 T CA 2.035 63.846 62.100 -0.480 0.000 1.139 159 T CB -0.479 68.049 68.868 -0.565 0.000 0.871 159 T HN 0.588 nan 8.240 nan 0.000 0.454 160 T N 0.563 114.925 114.554 -0.319 0.000 2.962 160 T HA 0.130 4.481 4.350 0.001 0.000 0.270 160 T C 2.140 176.672 174.700 -0.280 0.000 1.088 160 T CA 1.016 62.996 62.100 -0.199 0.000 1.127 160 T CB -0.367 68.489 68.868 -0.020 0.000 0.883 160 T HN 0.292 nan 8.240 nan 0.000 0.493 161 A N 1.440 123.949 122.820 -0.518 0.000 1.968 161 A HA 0.013 4.334 4.320 0.001 0.000 0.217 161 A C 2.450 179.853 177.584 -0.302 0.000 1.169 161 A CA 1.066 52.786 52.037 -0.528 0.000 0.638 161 A CB -0.391 17.957 19.000 -1.088 0.000 0.812 161 A HN 0.482 nan 8.150 nan 0.000 0.446 162 E N 0.550 120.569 120.200 -0.302 0.000 2.072 162 E HA -0.141 4.210 4.350 0.001 0.000 0.190 162 E C 1.611 178.126 176.600 -0.141 0.000 0.982 162 E CA 0.989 57.279 56.400 -0.184 0.000 0.803 162 E CB -0.383 29.208 29.700 -0.182 0.000 0.755 162 E HN 0.562 nan 8.360 nan 0.000 0.453 163 N N 0.689 119.285 118.700 -0.173 0.000 2.104 163 N HA -0.132 4.608 4.740 0.001 0.000 0.190 163 N C 2.022 177.505 175.510 -0.045 0.000 1.024 163 N CA 0.874 53.851 53.050 -0.121 0.000 0.853 163 N CB -0.565 37.838 38.487 -0.141 0.000 1.008 163 N HN -0.005 nan 8.380 nan 0.000 0.424 164 V N 1.308 121.207 119.914 -0.025 0.000 2.358 164 V HA -0.166 3.954 4.120 0.001 0.000 0.246 164 V C 2.358 178.533 176.094 0.134 0.000 1.047 164 V CA 1.668 64.023 62.300 0.092 0.000 1.035 164 V CB -1.011 30.842 31.823 0.049 0.000 0.658 164 V HN 0.312 nan 8.190 nan 0.000 0.452 165 A N 0.328 123.166 122.820 0.031 0.000 1.859 165 A HA -0.302 4.019 4.320 0.001 0.000 0.217 165 A C 2.245 179.862 177.584 0.054 0.000 1.198 165 A CA 2.380 54.442 52.037 0.041 0.000 0.629 165 A CB -0.596 18.398 19.000 -0.011 0.000 0.830 165 A HN 0.555 nan 8.150 nan 0.000 0.446 166 K N -0.768 119.636 120.400 0.007 0.000 2.113 166 K HA -0.242 4.079 4.320 0.001 0.000 0.208 166 K C 2.378 178.973 176.600 -0.007 0.000 1.047 166 K CA 1.728 58.010 56.287 -0.008 0.000 0.928 166 K CB -0.181 32.296 32.500 -0.038 0.000 0.716 166 K HN 0.684 nan 8.250 nan 0.000 0.446 167 Q N -0.546 119.259 119.800 0.009 0.000 2.046 167 Q HA -0.143 4.198 4.340 0.001 0.000 0.200 167 Q C 1.043 176.973 176.000 -0.116 0.000 0.975 167 Q CA 1.388 57.158 55.803 -0.055 0.000 0.836 167 Q CB 0.070 28.798 28.738 -0.016 0.000 0.896 167 Q HN 0.417 nan 8.270 nan 0.000 0.428 168 W N 1.018 122.291 121.300 -0.044 0.000 3.316 168 W HA 0.183 4.843 4.660 0.001 0.000 0.327 168 W C -0.313 176.188 176.519 -0.030 0.000 1.232 168 W CA -0.034 57.288 57.345 -0.037 0.000 1.805 168 W CB 0.474 29.910 29.460 -0.040 0.000 1.090 168 W HN 0.188 nan 8.180 nan 0.000 0.654 169 Q N 0.520 120.395 119.800 0.125 0.000 2.453 169 Q HA -0.217 4.123 4.340 0.001 0.000 0.330 169 Q C -0.637 175.421 176.000 0.097 0.000 1.417 169 Q CA 0.394 56.242 55.803 0.076 0.000 0.902 169 Q CB -2.277 26.486 28.738 0.043 0.000 1.154 169 Q HN 0.339 nan 8.270 nan 0.000 0.395 170 L N 1.307 122.588 121.223 0.096 0.000 2.314 170 L HA 0.290 4.630 4.340 0.001 0.000 0.275 170 L C 0.913 177.812 176.870 0.048 0.000 1.068 170 L CA -0.588 54.295 54.840 0.072 0.000 0.894 170 L CB 0.691 42.781 42.059 0.052 0.000 1.275 170 L HN 0.310 nan 8.230 nan 0.000 0.432 171 S N 0.904 116.632 115.700 0.046 0.000 2.559 171 S HA -0.039 4.431 4.470 0.001 0.000 0.282 171 S C 1.263 175.887 174.600 0.040 0.000 1.336 171 S CA -0.421 57.801 58.200 0.038 0.000 1.037 171 S CB 0.989 64.210 63.200 0.036 0.000 0.853 171 S HN 0.729 nan 8.310 nan 0.000 0.523 172 R N 1.383 121.905 120.500 0.035 0.000 2.154 172 R HA -0.183 4.157 4.340 0.001 0.000 0.248 172 R C 1.144 177.472 176.300 0.047 0.000 1.155 172 R CA 2.438 58.562 56.100 0.039 0.000 0.979 172 R CB -1.014 29.305 30.300 0.032 0.000 0.869 172 R HN 0.811 nan 8.270 nan 0.000 0.452 173 D N -0.102 120.324 120.400 0.043 0.000 2.084 173 D HA -0.174 4.466 4.640 0.001 0.000 0.196 173 D C 1.658 177.995 176.300 0.062 0.000 0.985 173 D CA 1.636 55.664 54.000 0.047 0.000 0.826 173 D CB -0.412 40.411 40.800 0.040 0.000 0.978 173 D HN 0.521 nan 8.370 nan 0.000 0.456 174 E N 0.341 120.579 120.200 0.064 0.000 2.150 174 E HA -0.185 4.165 4.350 0.001 0.000 0.193 174 E C 1.909 178.574 176.600 0.108 0.000 0.985 174 E CA 0.791 57.239 56.400 0.081 0.000 0.814 174 E CB 0.149 29.890 29.700 0.068 0.000 0.752 174 E HN 0.320 nan 8.360 nan 0.000 0.466 175 Q N 0.181 120.034 119.800 0.088 0.000 2.016 175 Q HA -0.153 4.187 4.340 0.001 0.000 0.200 175 Q C 1.796 177.888 176.000 0.153 0.000 0.978 175 Q CA 1.451 57.318 55.803 0.107 0.000 0.833 175 Q CB -0.013 28.770 28.738 0.075 0.000 0.895 175 Q HN 0.252 nan 8.270 nan 0.000 0.427 176 D N 0.535 121.001 120.400 0.110 0.000 2.218 176 D HA -0.115 4.526 4.640 0.001 0.000 0.204 176 D C 1.632 177.991 176.300 0.097 0.000 0.976 176 D CA 1.200 55.257 54.000 0.096 0.000 0.853 176 D CB -0.104 40.735 40.800 0.065 0.000 0.939 176 D HN 0.279 nan 8.370 nan 0.000 0.481 177 A N -0.192 122.692 122.820 0.107 0.000 1.929 177 A HA -0.088 4.232 4.320 0.001 0.000 0.216 177 A C 2.048 179.699 177.584 0.112 0.000 1.176 177 A CA 0.617 52.709 52.037 0.091 0.000 0.628 177 A CB -0.820 18.231 19.000 0.085 0.000 0.816 177 A HN 0.248 nan 8.150 nan 0.000 0.444 178 F N 0.989 120.953 119.950 0.024 0.000 2.075 178 F HA -0.041 4.487 4.527 0.001 0.000 0.297 178 F C 2.579 178.394 175.800 0.025 0.000 1.113 178 F CA 1.316 59.331 58.000 0.024 0.000 1.218 178 F CB -0.503 38.513 39.000 0.027 0.000 0.984 178 F HN 0.269 nan 8.300 nan 0.000 0.472 179 A N 0.265 123.239 122.820 0.257 0.000 1.859 179 A HA -0.254 4.067 4.320 0.001 0.000 0.218 179 A C 2.287 179.871 177.584 -0.000 0.000 1.209 179 A CA 2.723 54.842 52.037 0.137 0.000 0.639 179 A CB -1.568 17.519 19.000 0.146 0.000 0.835 179 A HN 0.296 nan 8.150 nan 0.000 0.450 180 V N -0.099 119.819 119.914 0.007 0.000 2.380 180 V HA -0.320 3.801 4.120 0.001 0.000 0.251 180 V C 3.030 179.088 176.094 -0.059 0.000 1.063 180 V CA 2.193 64.481 62.300 -0.020 0.000 1.055 180 V CB -1.382 30.440 31.823 -0.002 0.000 0.657 180 V HN 0.690 nan 8.190 nan 0.000 0.455 181 A N -0.736 122.025 122.820 -0.099 0.000 1.908 181 A HA -0.265 4.055 4.320 0.001 0.000 0.218 181 A C 2.560 180.042 177.584 -0.170 0.000 1.181 181 A CA 2.337 54.287 52.037 -0.145 0.000 0.627 181 A CB -0.837 18.034 19.000 -0.215 0.000 0.818 181 A HN 0.513 nan 8.150 nan 0.000 0.445 182 S N -0.892 114.675 115.700 -0.222 0.000 2.353 182 S HA -0.228 4.243 4.470 0.001 0.000 0.222 182 S C 2.181 176.730 174.600 -0.085 0.000 1.035 182 S CA 1.701 59.800 58.200 -0.170 0.000 1.025 182 S CB -0.426 62.687 63.200 -0.145 0.000 0.902 182 S HN 0.602 nan 8.310 nan 0.000 0.440 183 Q N 0.914 120.669 119.800 -0.075 0.000 2.181 183 Q HA -0.084 4.257 4.340 0.001 0.000 0.205 183 Q C 1.948 177.920 176.000 -0.047 0.000 0.980 183 Q CA 1.425 57.188 55.803 -0.067 0.000 0.862 183 Q CB -0.741 27.954 28.738 -0.072 0.000 0.905 183 Q HN 0.724 nan 8.270 nan 0.000 0.429 184 N N 0.343 119.016 118.700 -0.046 0.000 2.135 184 N HA -0.093 4.648 4.740 0.001 0.000 0.186 184 N C 1.720 177.214 175.510 -0.027 0.000 1.027 184 N CA 0.661 53.692 53.050 -0.032 0.000 0.849 184 N CB 0.079 38.544 38.487 -0.036 0.000 1.002 184 N HN 0.174 nan 8.380 nan 0.000 0.425 185 K N 0.997 121.375 120.400 -0.038 0.000 2.057 185 K HA -0.004 4.317 4.320 0.001 0.000 0.206 185 K C 2.205 178.817 176.600 0.021 0.000 1.050 185 K CA 1.009 57.280 56.287 -0.027 0.000 0.935 185 K CB -0.113 32.359 32.500 -0.047 0.000 0.715 185 K HN 0.123 nan 8.250 nan 0.000 0.439 186 A N 1.883 124.733 122.820 0.050 0.000 1.877 186 A HA -0.224 4.097 4.320 0.001 0.000 0.216 186 A C 2.089 179.764 177.584 0.150 0.000 1.186 186 A CA 1.591 53.719 52.037 0.152 0.000 0.620 186 A CB -0.447 18.592 19.000 0.066 0.000 0.822 186 A HN 0.375 nan 8.150 nan 0.000 0.443 187 E N -0.228 119.999 120.200 0.044 0.000 2.204 187 E HA -0.083 4.268 4.350 0.001 0.000 0.194 187 E C 2.023 178.644 176.600 0.035 0.000 0.989 187 E CA 0.847 57.262 56.400 0.025 0.000 0.824 187 E CB -0.157 29.539 29.700 -0.006 0.000 0.756 187 E HN 0.551 nan 8.360 nan 0.000 0.477 188 A N 1.133 123.961 122.820 0.013 0.000 1.874 188 A HA 0.076 4.396 4.320 0.001 0.000 0.214 188 A C 2.377 179.923 177.584 -0.063 0.000 1.189 188 A CA 1.289 53.314 52.037 -0.019 0.000 0.615 188 A CB -0.574 18.406 19.000 -0.033 0.000 0.830 188 A HN 0.345 nan 8.150 nan 0.000 0.443 189 A N -0.668 122.084 122.820 -0.113 0.000 1.972 189 A HA -0.212 4.109 4.320 0.001 0.000 0.219 189 A C 2.176 179.541 177.584 -0.365 0.000 1.169 189 A CA 1.845 53.665 52.037 -0.362 0.000 0.635 189 A CB -0.533 18.063 19.000 -0.673 0.000 0.810 189 A HN 0.672 nan 8.150 nan 0.000 0.446 190 Q N -0.208 119.595 119.800 0.006 0.000 2.016 190 Q HA -0.169 4.172 4.340 0.001 0.000 0.200 190 Q C 1.997 178.038 176.000 0.069 0.000 0.978 190 Q CA 1.665 57.596 55.803 0.212 0.000 0.833 190 Q CB -0.134 28.776 28.738 0.286 0.000 0.895 190 Q HN 0.642 nan 8.270 nan 0.000 0.427 191 K N 0.300 120.723 120.400 0.038 0.000 2.032 191 K HA -0.153 4.167 4.320 0.001 0.000 0.209 191 K C 1.318 177.911 176.600 -0.011 0.000 1.048 191 K CA 1.447 57.748 56.287 0.022 0.000 0.927 191 K CB -0.054 32.460 32.500 0.022 0.000 0.712 191 K HN 0.294 nan 8.250 nan 0.000 0.441 192 D N -0.318 120.052 120.400 -0.050 0.000 2.352 192 D HA 0.014 4.655 4.640 0.001 0.000 0.232 192 D C 0.852 177.099 176.300 -0.087 0.000 1.055 192 D CA 0.666 54.624 54.000 -0.070 0.000 0.891 192 D CB 0.091 40.836 40.800 -0.092 0.000 0.897 192 D HN 0.422 nan 8.370 nan 0.000 0.529 193 G N 1.572 110.327 108.800 -0.075 0.000 2.225 193 G HA2 -0.406 3.555 3.960 0.001 0.000 0.267 193 G HA3 -0.406 3.555 3.960 0.001 0.000 0.267 193 G C 1.069 175.896 174.900 -0.122 0.000 1.024 193 G CA 0.099 45.164 45.100 -0.057 0.000 0.784 193 G HN 0.362 nan 8.290 nan 0.000 0.507 194 R N -1.180 119.157 120.500 -0.271 0.000 2.339 194 R HA 0.153 4.494 4.340 0.001 0.000 0.199 194 R C 1.038 177.121 176.300 -0.362 0.000 1.018 194 R CA 0.629 56.522 56.100 -0.344 0.000 1.036 194 R CB -0.121 29.918 30.300 -0.435 0.000 0.899 194 R HN 0.446 nan 8.270 nan 0.000 0.473 195 F N -0.094 119.836 119.950 -0.033 0.000 2.695 195 F HA 0.186 4.714 4.527 0.001 0.000 0.303 195 F C 1.952 177.722 175.800 -0.050 0.000 1.091 195 F CA -0.262 57.718 58.000 -0.034 0.000 1.300 195 F CB 0.080 39.071 39.000 -0.015 0.000 1.071 195 F HN -0.160 nan 8.300 nan 0.000 0.578 196 K N 0.675 121.114 120.400 0.065 0.000 2.062 196 K HA -0.124 4.196 4.320 0.001 0.000 0.205 196 K C 1.270 177.838 176.600 -0.054 0.000 1.051 196 K CA 1.654 57.949 56.287 0.014 0.000 0.941 196 K CB -0.023 32.471 32.500 -0.011 0.000 0.719 196 K HN 0.029 nan 8.250 nan 0.000 0.440 197 D N 1.234 121.561 120.400 -0.121 0.000 2.092 197 D HA -0.221 4.420 4.640 0.001 0.000 0.193 197 D C 1.910 177.980 176.300 -0.383 0.000 0.994 197 D CA 1.926 55.765 54.000 -0.268 0.000 0.828 197 D CB -0.264 40.328 40.800 -0.346 0.000 0.963 197 D HN 0.586 nan 8.370 nan 0.000 0.450 198 E N 0.778 120.796 120.200 -0.304 0.000 2.028 198 E HA -0.089 4.261 4.350 0.001 0.000 0.190 198 E C 0.931 177.497 176.600 -0.057 0.000 0.984 198 E CA 0.314 56.583 56.400 -0.218 0.000 0.800 198 E CB -0.306 29.402 29.700 0.014 0.000 0.758 198 E HN 0.193 nan 8.360 nan 0.000 0.448 199 I N 2.632 123.200 120.570 -0.002 0.000 2.683 199 I HA -0.029 4.142 4.170 0.001 0.000 0.286 199 I C -0.049 176.079 176.117 0.018 0.000 1.175 199 I CA -0.087 61.229 61.300 0.027 0.000 1.429 199 I CB 0.995 39.026 38.000 0.052 0.000 1.371 199 I HN 0.074 nan 8.210 nan 0.000 0.569 200 V N 9.115 129.051 119.914 0.036 0.000 2.513 200 V HA 0.489 4.609 4.120 0.001 0.000 0.299 200 V C -2.240 173.898 176.094 0.073 0.000 1.035 200 V CA -2.065 60.260 62.300 0.042 0.000 0.889 200 V CB 1.870 33.718 31.823 0.043 0.000 0.988 200 V HN 0.522 nan 8.190 nan 0.000 0.440 201 P HA 0.198 nan 4.420 nan 0.000 0.268 201 P C -1.376 176.004 177.300 0.134 0.000 1.205 201 P CA 0.283 63.441 63.100 0.096 0.000 0.771 201 P CB 0.165 31.895 31.700 0.050 0.000 0.858 202 F N 3.855 123.825 119.950 0.034 0.000 2.467 202 F HA 0.432 4.959 4.527 0.001 0.000 0.336 202 F C -0.618 175.217 175.800 0.057 0.000 1.123 202 F CA -1.100 56.903 58.000 0.005 0.000 0.964 202 F CB 0.866 39.812 39.000 -0.089 0.000 1.136 202 F HN 0.065 nan 8.300 nan 0.000 0.447 203 I N 7.697 127.927 120.570 -0.566 0.000 2.291 203 I HA 0.160 4.330 4.170 0.001 0.000 0.292 203 I C -0.291 175.604 176.117 -0.370 0.000 1.064 203 I CA -0.734 60.375 61.300 -0.320 0.000 1.269 203 I CB 0.556 38.400 38.000 -0.260 0.000 1.418 203 I HN 0.249 nan 8.210 nan 0.000 0.485 204 V N 7.367 127.338 119.914 0.095 0.000 2.381 204 V HA 0.099 4.220 4.120 0.001 0.000 0.257 204 V C 0.920 177.067 176.094 0.088 0.000 1.057 204 V CA -0.748 61.708 62.300 0.260 0.000 1.013 204 V CB -0.352 31.693 31.823 0.369 0.000 1.069 204 V HN 0.520 nan 8.190 nan 0.000 0.484 205 K N 3.681 124.101 120.400 0.034 0.000 2.436 205 K HA 0.415 4.735 4.320 0.001 0.000 0.275 205 K C 0.453 177.073 176.600 0.034 0.000 0.999 205 K CA 0.286 56.578 56.287 0.008 0.000 0.980 205 K CB 1.282 33.776 32.500 -0.011 0.000 0.919 205 K HN 0.862 nan 8.250 nan 0.000 0.484 206 G N 1.696 110.508 108.800 0.020 0.000 2.620 206 G HA2 0.271 4.232 3.960 0.001 0.000 0.301 206 G HA3 0.271 4.232 3.960 0.001 0.000 0.301 206 G C 0.753 175.661 174.900 0.012 0.000 1.347 206 G CA -0.746 44.367 45.100 0.021 0.000 0.971 206 G HN 0.425 nan 8.290 nan 0.000 0.488 207 R N 1.206 121.714 120.500 0.012 0.000 2.083 207 R HA -0.108 4.232 4.340 0.001 0.000 0.237 207 R C 0.366 176.669 176.300 0.006 0.000 1.137 207 R CA 1.052 57.157 56.100 0.008 0.000 0.951 207 R CB -0.532 29.773 30.300 0.009 0.000 0.851 207 R HN 0.471 nan 8.270 nan 0.000 0.434 208 K N 0.843 121.247 120.400 0.006 0.000 3.095 208 K HA 0.411 4.732 4.320 0.001 0.000 0.220 208 K C -0.300 176.303 176.600 0.004 0.000 1.216 208 K CA 0.253 56.543 56.287 0.004 0.000 1.167 208 K CB 1.077 33.580 32.500 0.004 0.000 1.199 208 K HN 0.496 nan 8.250 nan 0.000 0.458 209 G N 1.024 109.826 108.800 0.003 0.000 2.576 209 G HA2 -0.111 3.849 3.960 0.001 0.000 0.686 209 G HA3 -0.111 3.849 3.960 0.001 0.000 0.686 209 G C -1.811 173.092 174.900 0.005 0.000 1.242 209 G CA -1.157 43.944 45.100 0.003 0.000 0.819 209 G HN 0.164 nan 8.290 nan 0.000 0.655 210 D N 0.119 120.520 120.400 0.002 0.000 2.181 210 D HA 0.699 5.339 4.640 0.001 0.000 0.248 210 D C 0.638 176.944 176.300 0.011 0.000 1.020 210 D CA -0.118 53.885 54.000 0.004 0.000 0.891 210 D CB 1.792 42.583 40.800 -0.014 0.000 1.187 210 D HN 0.514 nan 8.370 nan 0.000 0.443 211 I N 0.348 120.935 120.570 0.028 0.000 2.562 211 I HA 0.252 4.423 4.170 0.001 0.000 0.301 211 I C 0.155 176.304 176.117 0.054 0.000 1.003 211 I CA -0.604 60.718 61.300 0.037 0.000 1.127 211 I CB 1.997 40.023 38.000 0.043 0.000 1.304 211 I HN 0.019 nan 8.210 nan 0.000 0.446 212 T N 4.599 119.184 114.554 0.052 0.000 2.788 212 T HA 0.351 4.701 4.350 0.001 0.000 0.296 212 T C -0.293 174.467 174.700 0.100 0.000 1.009 212 T CA -0.372 61.769 62.100 0.068 0.000 0.949 212 T CB 0.973 69.863 68.868 0.038 0.000 0.946 212 T HN 0.187 nan 8.240 nan 0.000 0.453 213 V N 5.175 125.198 119.914 0.181 0.000 2.318 213 V HA 0.306 4.426 4.120 0.001 0.000 0.271 213 V C 0.475 176.690 176.094 0.202 0.000 1.030 213 V CA -0.623 61.793 62.300 0.194 0.000 0.844 213 V CB 0.872 32.870 31.823 0.293 0.000 1.015 213 V HN 0.953 nan 8.190 nan 0.000 0.460 214 D N 3.111 123.586 120.400 0.125 0.000 2.599 214 D HA 0.416 5.056 4.640 0.001 0.000 0.249 214 D C -0.062 176.288 176.300 0.083 0.000 1.313 214 D CA 0.022 54.086 54.000 0.106 0.000 0.815 214 D CB 1.163 42.008 40.800 0.076 0.000 1.077 214 D HN 0.515 nan 8.370 nan 0.000 0.492 215 A N 0.277 123.142 122.820 0.075 0.000 2.459 215 A HA 0.423 4.743 4.320 0.001 0.000 0.296 215 A C -1.106 176.485 177.584 0.012 0.000 1.039 215 A CA -0.821 51.242 52.037 0.043 0.000 0.698 215 A CB 1.230 20.255 19.000 0.042 0.000 1.261 215 A HN -0.005 nan 8.150 nan 0.000 0.405 216 D N 2.588 122.969 120.400 -0.031 0.000 2.426 216 D HA 0.057 4.697 4.640 0.001 0.000 0.261 216 D C 0.987 177.265 176.300 -0.037 0.000 1.245 216 D CA 0.619 54.586 54.000 -0.055 0.000 0.917 216 D CB 0.860 41.561 40.800 -0.165 0.000 1.123 216 D HN 0.765 nan 8.370 nan 0.000 0.508 217 E N 1.581 121.771 120.200 -0.018 0.000 2.465 217 E HA -0.111 4.239 4.350 0.001 0.000 0.191 217 E C 0.763 177.394 176.600 0.051 0.000 1.053 217 E CA -0.079 56.313 56.400 -0.015 0.000 0.869 217 E CB 0.036 29.705 29.700 -0.052 0.000 0.977 217 E HN 0.441 nan 8.360 nan 0.000 0.483 218 Y N 1.460 121.707 120.300 -0.089 0.000 2.509 218 Y HA 0.310 4.860 4.550 0.001 0.000 0.270 218 Y C 0.529 176.380 175.900 -0.082 0.000 1.103 218 Y CA -0.971 57.088 58.100 -0.069 0.000 1.278 218 Y CB 0.486 38.915 38.460 -0.051 0.000 1.087 218 Y HN -0.086 nan 8.280 nan 0.000 0.542 219 I N 4.710 125.176 120.570 -0.174 0.000 2.668 219 I HA 0.008 4.178 4.170 0.001 0.000 0.285 219 I C 0.321 176.251 176.117 -0.312 0.000 1.168 219 I CA 0.228 61.378 61.300 -0.250 0.000 1.424 219 I CB 0.251 38.152 38.000 -0.165 0.000 1.377 219 I HN 0.123 nan 8.210 nan 0.000 0.560 220 R N 4.680 125.002 120.500 -0.297 0.000 2.349 220 R HA 0.303 4.643 4.340 0.001 0.000 0.299 220 R C -0.605 175.589 176.300 -0.175 0.000 1.027 220 R CA -0.771 55.194 56.100 -0.226 0.000 0.958 220 R CB 0.391 30.596 30.300 -0.158 0.000 1.047 220 R HN 0.517 nan 8.270 nan 0.000 0.468 221 H N 2.071 121.113 119.070 -0.046 0.000 4.181 221 H HA 0.115 4.671 4.556 0.001 0.000 0.216 221 H C 0.721 176.033 175.328 -0.027 0.000 1.325 221 H CA 1.455 57.487 56.048 -0.028 0.000 1.529 221 H CB -0.526 29.224 29.762 -0.019 0.000 1.761 221 H HN 1.026 nan 8.280 nan 0.000 0.727 222 G N 1.852 110.671 108.800 0.032 0.000 2.460 222 G HA2 -0.112 3.848 3.960 0.001 0.000 0.259 222 G HA3 -0.112 3.848 3.960 0.001 0.000 0.259 222 G C 0.257 175.161 174.900 0.007 0.000 0.959 222 G CA -0.235 44.874 45.100 0.016 0.000 1.330 222 G HN 0.859 nan 8.290 nan 0.000 0.451 223 A N 2.383 125.194 122.820 -0.015 0.000 2.492 223 A HA 0.704 5.024 4.320 0.001 0.000 0.254 223 A C 1.210 178.790 177.584 -0.006 0.000 1.091 223 A CA 0.970 52.999 52.037 -0.014 0.000 0.768 223 A CB 0.250 19.233 19.000 -0.028 0.000 1.028 223 A HN 2.237 nan 8.150 nan 0.000 0.498 224 T N 1.152 115.706 114.554 -0.000 0.000 2.897 224 T HA 0.306 4.657 4.350 0.001 0.000 0.294 224 T C 0.959 175.661 174.700 0.005 0.000 1.004 224 T CA -0.549 61.553 62.100 0.002 0.000 1.106 224 T CB 0.695 69.566 68.868 0.004 0.000 0.949 224 T HN 0.515 nan 8.240 nan 0.000 0.520 225 L N 1.720 122.946 121.223 0.007 0.000 2.351 225 L HA -0.062 4.279 4.340 0.001 0.000 0.220 225 L C 1.696 178.574 176.870 0.013 0.000 1.127 225 L CA 1.787 56.634 54.840 0.013 0.000 0.786 225 L CB -0.733 41.335 42.059 0.014 0.000 0.914 225 L HN 0.752 nan 8.230 nan 0.000 0.443 226 D N -1.914 118.492 120.400 0.010 0.000 2.162 226 D HA -0.107 4.534 4.640 0.001 0.000 0.205 226 D C 2.285 178.590 176.300 0.009 0.000 0.964 226 D CA 1.371 55.377 54.000 0.009 0.000 0.847 226 D CB -0.347 40.458 40.800 0.007 0.000 0.988 226 D HN 0.476 nan 8.370 nan 0.000 0.480 227 S N 0.305 116.009 115.700 0.007 0.000 2.419 227 S HA -0.159 4.312 4.470 0.001 0.000 0.233 227 S C 1.995 176.600 174.600 0.009 0.000 1.016 227 S CA 0.755 58.958 58.200 0.006 0.000 0.974 227 S CB -0.160 63.042 63.200 0.004 0.000 0.786 227 S HN -0.017 nan 8.310 nan 0.000 0.492 228 M N 2.591 122.198 119.600 0.012 0.000 2.099 228 M HA 0.294 4.774 4.480 0.001 0.000 0.262 228 M C 2.217 178.529 176.300 0.021 0.000 1.067 228 M CA 1.530 56.841 55.300 0.019 0.000 1.124 228 M CB -1.126 31.490 32.600 0.026 0.000 1.353 228 M HN 0.420 nan 8.290 nan 0.000 0.410 229 A N -0.588 122.244 122.820 0.020 0.000 2.272 229 A HA -0.169 4.151 4.320 0.001 0.000 0.213 229 A C 1.961 179.554 177.584 0.014 0.000 1.183 229 A CA 1.428 53.476 52.037 0.019 0.000 0.719 229 A CB -0.808 18.203 19.000 0.017 0.000 0.771 229 A HN 0.612 nan 8.150 nan 0.000 0.484 230 K N -0.370 120.037 120.400 0.011 0.000 2.044 230 K HA 0.128 4.449 4.320 0.001 0.000 0.204 230 K C 0.425 177.029 176.600 0.006 0.000 1.049 230 K CA 0.269 56.561 56.287 0.008 0.000 0.945 230 K CB -0.372 32.132 32.500 0.006 0.000 0.724 230 K HN 0.467 nan 8.250 nan 0.000 0.440 231 L N 2.010 123.237 121.223 0.008 0.000 2.489 231 L HA -0.058 4.283 4.340 0.001 0.000 0.285 231 L C 0.211 177.081 176.870 -0.001 0.000 1.259 231 L CA 0.082 54.924 54.840 0.003 0.000 0.828 231 L CB -0.111 41.953 42.059 0.008 0.000 1.094 231 L HN 0.066 nan 8.230 nan 0.000 0.524 232 R N 0.445 120.937 120.500 -0.013 0.000 2.598 232 R HA 0.446 4.786 4.340 0.001 0.000 0.279 232 R C -2.431 173.850 176.300 -0.031 0.000 0.984 232 R CA -1.803 54.285 56.100 -0.020 0.000 0.999 232 R CB -0.032 30.250 30.300 -0.029 0.000 1.114 232 R HN 0.315 nan 8.270 nan 0.000 0.493 233 P HA -0.041 nan 4.420 nan 0.000 0.264 233 P C -0.388 176.856 177.300 -0.095 0.000 1.183 233 P CA 0.379 63.465 63.100 -0.024 0.000 0.763 233 P CB 0.839 32.534 31.700 -0.008 0.000 0.807 234 A N 1.870 124.595 122.820 -0.158 0.000 2.115 234 A HA 0.150 4.470 4.320 0.001 0.000 0.211 234 A C 0.952 178.057 177.584 -0.798 0.000 1.169 234 A CA 0.823 52.545 52.037 -0.526 0.000 0.787 234 A CB -0.536 18.020 19.000 -0.740 0.000 0.858 234 A HN 0.536 nan 8.150 nan 0.000 0.474 235 F N -1.363 118.543 119.950 -0.073 0.000 2.856 235 F HA 0.287 4.815 4.527 0.001 0.000 0.338 235 F C 0.001 175.762 175.800 -0.065 0.000 1.005 235 F CA -0.550 57.403 58.000 -0.079 0.000 1.155 235 F CB 0.769 39.699 39.000 -0.117 0.000 1.010 235 F HN 0.035 nan 8.300 nan 0.000 0.587 236 D N 0.402 120.862 120.400 0.100 0.000 2.593 236 D HA 0.232 4.873 4.640 0.001 0.000 0.251 236 D C 0.836 177.144 176.300 0.012 0.000 1.140 236 D CA -0.265 53.758 54.000 0.038 0.000 0.855 236 D CB 2.016 42.826 40.800 0.016 0.000 1.267 236 D HN -0.238 nan 8.370 nan 0.000 0.532 237 K N 2.221 122.624 120.400 0.005 0.000 2.034 237 K HA -0.199 4.122 4.320 0.001 0.000 0.214 237 K C 0.597 177.196 176.600 -0.002 0.000 1.051 237 K CA 1.740 58.026 56.287 -0.002 0.000 0.931 237 K CB 0.054 32.554 32.500 0.000 0.000 0.715 237 K HN 0.647 nan 8.250 nan 0.000 0.446 238 E N -0.872 119.327 120.200 -0.001 0.000 2.663 238 E HA 0.295 4.645 4.350 0.001 0.000 0.240 238 E C 0.351 176.951 176.600 -0.001 0.000 1.227 238 E CA -0.429 55.970 56.400 -0.001 0.000 1.528 238 E CB 0.747 30.445 29.700 -0.003 0.000 1.472 238 E HN 0.268 nan 8.360 nan 0.000 0.433 239 G N 0.095 108.898 108.800 0.005 0.000 2.695 239 G HA2 0.260 4.221 3.960 0.001 0.000 0.213 239 G HA3 0.260 4.221 3.960 0.001 0.000 0.213 239 G C 0.359 175.269 174.900 0.015 0.000 1.406 239 G CA 0.292 45.397 45.100 0.009 0.000 1.049 239 G HN 0.187 nan 8.290 nan 0.000 0.573 240 T N -2.316 112.253 114.554 0.026 0.000 3.123 240 T HA 0.126 4.476 4.350 0.001 0.000 0.259 240 T C 0.059 174.792 174.700 0.056 0.000 0.871 240 T CA 0.047 62.167 62.100 0.033 0.000 0.857 240 T CB 0.062 68.944 68.868 0.024 0.000 1.267 240 T HN 0.239 nan 8.240 nan 0.000 0.556 241 V N 4.494 124.454 119.914 0.077 0.000 2.439 241 V HA 0.473 4.594 4.120 0.001 0.000 0.271 241 V C 1.000 177.194 176.094 0.165 0.000 1.040 241 V CA 0.238 62.621 62.300 0.140 0.000 1.002 241 V CB 0.430 32.345 31.823 0.153 0.000 1.000 241 V HN 0.693 nan 8.190 nan 0.000 0.477 242 T N 2.294 116.933 114.554 0.141 0.000 2.870 242 T HA 0.679 5.030 4.350 0.001 0.000 0.277 242 T C 0.924 175.685 174.700 0.103 0.000 1.000 242 T CA -0.105 62.043 62.100 0.079 0.000 0.982 242 T CB 1.953 70.854 68.868 0.055 0.000 1.249 242 T HN 0.567 nan 8.240 nan 0.000 0.589 243 A N -0.798 122.047 122.820 0.042 0.000 2.251 243 A HA 0.476 4.796 4.320 0.001 0.000 0.209 243 A C 1.941 179.574 177.584 0.082 0.000 1.187 243 A CA 0.699 52.770 52.037 0.056 0.000 0.823 243 A CB -0.994 18.010 19.000 0.006 0.000 0.846 243 A HN 1.034 nan 8.150 nan 0.000 0.486 244 G N 0.469 109.314 108.800 0.074 0.000 2.709 244 G HA2 0.015 3.975 3.960 0.001 0.000 0.208 244 G HA3 0.015 3.975 3.960 0.001 0.000 0.208 244 G C 0.866 175.820 174.900 0.090 0.000 1.129 244 G CA 0.661 45.797 45.100 0.061 0.000 0.793 244 G HN 0.688 nan 8.290 nan 0.000 0.524 245 N N 0.058 118.834 118.700 0.127 0.000 2.203 245 N HA 0.489 5.229 4.740 0.001 0.000 0.207 245 N C 0.406 176.046 175.510 0.216 0.000 1.130 245 N CA 0.245 53.395 53.050 0.166 0.000 0.861 245 N CB 0.657 39.238 38.487 0.157 0.000 1.005 245 N HN 0.268 nan 8.380 nan 0.000 0.507 246 A N -0.647 122.309 122.820 0.227 0.000 2.313 246 A HA 0.720 5.041 4.320 0.001 0.000 0.323 246 A C 0.051 177.714 177.584 0.132 0.000 1.133 246 A CA -0.690 51.514 52.037 0.279 0.000 0.847 246 A CB 0.990 20.274 19.000 0.473 0.000 1.308 246 A HN 0.161 nan 8.150 nan 0.000 0.475 247 S N -1.227 114.447 115.700 -0.045 0.000 2.600 247 S HA 0.501 4.971 4.470 0.001 0.000 0.265 247 S C 0.695 175.321 174.600 0.044 0.000 1.325 247 S CA 0.233 58.401 58.200 -0.054 0.000 1.002 247 S CB 0.473 63.519 63.200 -0.257 0.000 0.921 247 S HN 1.216 nan 8.310 nan 0.000 0.554 248 G N 0.897 109.720 108.800 0.037 0.000 2.531 248 G HA2 0.592 4.552 3.960 0.001 0.000 0.313 248 G HA3 0.592 4.552 3.960 0.001 0.000 0.313 248 G C -1.261 173.490 174.900 -0.248 0.000 1.238 248 G CA -0.805 44.221 45.100 -0.123 0.000 0.994 248 G HN 0.687 nan 8.290 nan 0.000 0.493 249 L N 0.732 121.748 121.223 -0.344 0.000 2.287 249 L HA 0.460 4.801 4.340 0.001 0.000 0.287 249 L C -0.542 176.201 176.870 -0.211 0.000 1.022 249 L CA -0.638 54.001 54.840 -0.334 0.000 0.814 249 L CB 1.415 43.037 42.059 -0.729 0.000 1.217 249 L HN 0.482 nan 8.230 nan 0.000 0.420 250 N N 1.117 119.754 118.700 -0.105 0.000 2.525 250 N HA 0.525 5.265 4.740 0.001 0.000 0.270 250 N C -1.835 173.692 175.510 0.029 0.000 1.321 250 N CA -0.953 52.059 53.050 -0.064 0.000 0.797 250 N CB 2.029 40.414 38.487 -0.170 0.000 1.529 250 N HN 0.422 nan 8.380 nan 0.000 0.491 251 D N -0.271 120.167 120.400 0.063 0.000 2.481 251 D HA 0.732 5.373 4.640 0.001 0.000 0.244 251 D C -0.065 176.273 176.300 0.064 0.000 1.057 251 D CA -0.509 53.535 54.000 0.074 0.000 0.848 251 D CB 1.998 42.883 40.800 0.140 0.000 1.388 251 D HN 0.644 nan 8.370 nan 0.000 0.475 252 G N -0.767 107.990 108.800 -0.072 0.000 2.320 252 G HA2 0.654 4.614 3.960 0.001 0.000 0.296 252 G HA3 0.654 4.614 3.960 0.001 0.000 0.296 252 G C -2.025 172.767 174.900 -0.179 0.000 1.306 252 G CA -0.237 44.771 45.100 -0.153 0.000 0.836 252 G HN 0.685 nan 8.290 nan 0.000 0.517 253 A N -1.479 121.238 122.820 -0.172 0.000 2.594 253 A HA 1.137 5.457 4.320 0.001 0.000 0.295 253 A C -0.506 177.029 177.584 -0.082 0.000 1.071 253 A CA 0.288 52.247 52.037 -0.130 0.000 0.685 253 A CB 1.439 20.343 19.000 -0.160 0.000 1.285 253 A HN 2.649 nan 8.150 nan 0.000 0.405 254 A N -0.339 122.445 122.820 -0.059 0.000 2.582 254 A HA 0.998 5.318 4.320 0.001 0.000 0.297 254 A C -0.461 177.102 177.584 -0.034 0.000 1.059 254 A CA 0.390 52.410 52.037 -0.029 0.000 0.705 254 A CB 0.563 19.554 19.000 -0.015 0.000 1.279 254 A HN 2.762 nan 8.150 nan 0.000 0.404 255 A N 0.189 122.997 122.820 -0.019 0.000 2.791 255 A HA 1.141 5.462 4.320 0.001 0.000 0.309 255 A C -0.498 177.068 177.584 -0.031 0.000 1.200 255 A CA -0.039 51.974 52.037 -0.039 0.000 0.635 255 A CB 0.358 19.326 19.000 -0.054 0.000 1.393 255 A HN 2.800 nan 8.150 nan 0.000 0.557 256 A N -0.771 122.018 122.820 -0.051 0.000 2.594 256 A HA 0.616 4.936 4.320 0.001 0.000 0.296 256 A C -1.575 175.973 177.584 -0.060 0.000 1.061 256 A CA -0.255 51.746 52.037 -0.060 0.000 0.689 256 A CB 0.704 19.654 19.000 -0.083 0.000 1.280 256 A HN 1.545 nan 8.150 nan 0.000 0.406 257 L N 1.998 123.189 121.223 -0.053 0.000 2.305 257 L HA 0.619 4.960 4.340 0.001 0.000 0.281 257 L C -1.418 175.423 176.870 -0.049 0.000 1.085 257 L CA -0.697 54.117 54.840 -0.043 0.000 0.813 257 L CB 0.818 42.860 42.059 -0.028 0.000 1.157 257 L HN 0.700 nan 8.230 nan 0.000 0.436 258 L N 6.171 127.368 121.223 -0.043 0.000 2.342 258 L HA 0.683 5.024 4.340 0.001 0.000 0.271 258 L C -0.099 176.758 176.870 -0.022 0.000 1.008 258 L CA -0.144 54.673 54.840 -0.038 0.000 0.818 258 L CB 1.849 43.881 42.059 -0.045 0.000 1.296 258 L HN 0.733 nan 8.230 nan 0.000 0.427 259 M N -0.012 119.578 119.600 -0.016 0.000 2.949 259 M HA 0.644 5.124 4.480 0.001 0.000 0.270 259 M C -0.910 175.390 176.300 -0.000 0.000 1.221 259 M CA -0.666 54.630 55.300 -0.006 0.000 0.818 259 M CB 1.913 34.510 32.600 -0.005 0.000 1.635 259 M HN 0.457 nan 8.290 nan 0.000 0.492 260 S N -0.580 115.123 115.700 0.005 0.000 2.694 260 S HA 0.405 4.875 4.470 0.001 0.000 0.278 260 S C 0.467 175.073 174.600 0.010 0.000 1.152 260 S CA 0.315 58.521 58.200 0.010 0.000 1.010 260 S CB 1.640 64.847 63.200 0.012 0.000 1.104 260 S HN 0.950 nan 8.310 nan 0.000 0.547 261 E N 0.124 120.332 120.200 0.014 0.000 2.038 261 E HA 0.098 4.449 4.350 0.001 0.000 0.190 261 E C 2.265 178.872 176.600 0.012 0.000 0.967 261 E CA 0.734 57.143 56.400 0.014 0.000 0.816 261 E CB -0.642 29.069 29.700 0.018 0.000 0.784 261 E HN 0.771 nan 8.360 nan 0.000 0.456 262 A N 1.093 123.921 122.820 0.013 0.000 1.908 262 A HA -0.265 4.056 4.320 0.001 0.000 0.218 262 A C 2.057 179.647 177.584 0.010 0.000 1.181 262 A CA 2.071 54.115 52.037 0.011 0.000 0.627 262 A CB -0.758 18.250 19.000 0.012 0.000 0.818 262 A HN 0.380 nan 8.150 nan 0.000 0.445 263 E N 0.215 120.421 120.200 0.009 0.000 2.058 263 E HA -0.110 4.240 4.350 0.001 0.000 0.194 263 E C 2.049 178.653 176.600 0.007 0.000 0.997 263 E CA 1.806 58.211 56.400 0.008 0.000 0.801 263 E CB -0.532 29.173 29.700 0.008 0.000 0.746 263 E HN 0.479 nan 8.360 nan 0.000 0.450 264 A N -0.041 122.783 122.820 0.007 0.000 1.940 264 A HA -0.217 4.103 4.320 0.001 0.000 0.219 264 A C 2.447 180.035 177.584 0.007 0.000 1.176 264 A CA 2.050 54.090 52.037 0.006 0.000 0.631 264 A CB -1.136 17.867 19.000 0.004 0.000 0.814 264 A HN 0.341 nan 8.150 nan 0.000 0.446 265 S N -0.509 115.196 115.700 0.008 0.000 2.365 265 S HA -0.239 4.232 4.470 0.001 0.000 0.225 265 S C 2.171 176.775 174.600 0.007 0.000 1.039 265 S CA 1.709 59.913 58.200 0.008 0.000 1.033 265 S CB -0.355 62.850 63.200 0.009 0.000 0.887 265 S HN 0.654 nan 8.310 nan 0.000 0.447 266 R N 0.152 120.656 120.500 0.007 0.000 2.105 266 R HA -0.009 4.331 4.340 0.001 0.000 0.239 266 R C 2.083 178.387 176.300 0.006 0.000 1.135 266 R CA 1.484 57.588 56.100 0.007 0.000 0.967 266 R CB -0.228 30.076 30.300 0.007 0.000 0.861 266 R HN 0.366 nan 8.270 nan 0.000 0.442 267 R N -0.446 120.058 120.500 0.006 0.000 2.359 267 R HA 0.136 4.476 4.340 0.001 0.000 0.231 267 R C 0.740 177.044 176.300 0.007 0.000 0.913 267 R CA 0.437 56.541 56.100 0.006 0.000 1.075 267 R CB 0.773 31.077 30.300 0.006 0.000 1.087 267 R HN 0.319 nan 8.270 nan 0.000 0.515 268 G N 1.790 110.594 108.800 0.007 0.000 2.225 268 G HA2 -0.288 3.672 3.960 0.001 0.000 0.267 268 G HA3 -0.288 3.672 3.960 0.001 0.000 0.267 268 G C 0.115 175.019 174.900 0.007 0.000 1.024 268 G CA 0.083 45.187 45.100 0.007 0.000 0.784 268 G HN 0.290 nan 8.290 nan 0.000 0.507 269 I N 0.386 120.960 120.570 0.007 0.000 2.428 269 I HA 0.248 4.418 4.170 0.001 0.000 0.289 269 I C 0.257 176.377 176.117 0.006 0.000 1.019 269 I CA -0.553 60.751 61.300 0.006 0.000 1.351 269 I CB 1.149 39.151 38.000 0.005 0.000 1.412 269 I HN 0.024 nan 8.210 nan 0.000 0.513 270 Q N 6.920 126.724 119.800 0.006 0.000 2.314 270 Q HA 0.430 4.770 4.340 0.001 0.000 0.259 270 Q C -2.245 173.754 176.000 -0.002 0.000 0.951 270 Q CA -1.767 54.039 55.803 0.005 0.000 0.909 270 Q CB 1.428 30.172 28.738 0.010 0.000 1.236 270 Q HN 0.355 nan 8.270 nan 0.000 0.444 271 P HA 0.154 nan 4.420 nan 0.000 0.288 271 P C 0.112 177.389 177.300 -0.037 0.000 1.291 271 P CA -0.421 62.666 63.100 -0.022 0.000 0.766 271 P CB 0.735 32.427 31.700 -0.014 0.000 1.242 272 L N -2.575 118.608 121.223 -0.067 0.000 3.039 272 L HA 0.528 4.868 4.340 0.001 0.000 0.269 272 L C 0.384 177.203 176.870 -0.085 0.000 1.169 272 L CA 0.624 55.400 54.840 -0.106 0.000 0.986 272 L CB 0.425 42.346 42.059 -0.230 0.000 1.377 272 L HN 0.638 nan 8.230 nan 0.000 0.575 273 G N -0.607 108.162 108.800 -0.052 0.000 2.377 273 G HA2 0.405 4.366 3.960 0.001 0.000 0.297 273 G HA3 0.405 4.366 3.960 0.001 0.000 0.297 273 G C -1.920 172.984 174.900 0.005 0.000 1.547 273 G CA -0.854 44.233 45.100 -0.020 0.000 0.833 273 G HN -0.073 nan 8.290 nan 0.000 0.583 274 R N -0.532 119.994 120.500 0.043 0.000 2.674 274 R HA 0.819 5.159 4.340 0.001 0.000 0.266 274 R C -0.370 175.981 176.300 0.084 0.000 1.016 274 R CA -0.869 55.269 56.100 0.063 0.000 1.062 274 R CB 1.094 31.447 30.300 0.089 0.000 1.142 274 R HN 0.423 nan 8.270 nan 0.000 0.517 275 I N 4.563 125.178 120.570 0.074 0.000 2.382 275 I HA 0.183 4.354 4.170 0.001 0.000 0.285 275 I C 0.819 176.984 176.117 0.079 0.000 1.007 275 I CA -0.537 60.809 61.300 0.078 0.000 1.142 275 I CB 1.817 39.850 38.000 0.054 0.000 1.289 275 I HN 0.593 nan 8.210 nan 0.000 0.453 276 V N 2.374 122.325 119.914 0.062 0.000 3.212 276 V HA 0.333 4.453 4.120 0.001 0.000 0.244 276 V C 0.633 176.690 176.094 -0.060 0.000 1.151 276 V CA 1.021 63.312 62.300 -0.015 0.000 1.119 276 V CB 0.342 32.110 31.823 -0.093 0.000 0.838 276 V HN 0.772 nan 8.190 nan 0.000 0.470 277 S N -1.321 114.365 115.700 -0.024 0.000 2.671 277 S HA 0.652 5.123 4.470 0.001 0.000 0.270 277 S C -1.623 173.091 174.600 0.190 0.000 1.166 277 S CA -0.222 57.986 58.200 0.013 0.000 0.868 277 S CB 1.153 64.242 63.200 -0.186 0.000 1.190 277 S HN 1.589 nan 8.310 nan 0.000 0.494 278 W N -0.589 120.675 121.300 -0.060 0.000 3.064 278 W HA 0.773 5.433 4.660 0.001 0.000 0.328 278 W C -1.832 174.678 176.519 -0.014 0.000 1.210 278 W CA -0.697 56.633 57.345 -0.025 0.000 1.178 278 W CB 0.724 30.178 29.460 -0.009 0.000 1.416 278 W HN 1.556 nan 8.180 nan 0.000 0.568 279 A N 1.060 123.978 122.820 0.163 0.000 2.612 279 A HA 0.787 5.108 4.320 0.001 0.000 0.293 279 A C -1.552 176.135 177.584 0.171 0.000 1.075 279 A CA -0.436 51.575 52.037 -0.043 0.000 0.680 279 A CB 1.819 20.768 19.000 -0.086 0.000 1.279 279 A HN 0.889 nan 8.150 nan 0.000 0.411 280 T N -0.035 114.578 114.554 0.097 0.000 2.982 280 T HA 0.644 4.994 4.350 0.001 0.000 0.321 280 T C -1.805 172.936 174.700 0.068 0.000 1.229 280 T CA -0.212 61.970 62.100 0.136 0.000 1.044 280 T CB 1.278 70.278 68.868 0.220 0.000 1.184 280 T HN 1.390 nan 8.240 nan 0.000 0.477 281 V N 2.228 122.181 119.914 0.065 0.000 3.048 281 V HA 0.824 4.945 4.120 0.001 0.000 0.303 281 V C 0.455 176.577 176.094 0.047 0.000 1.214 281 V CA -0.774 61.551 62.300 0.041 0.000 0.984 281 V CB 2.303 34.140 31.823 0.023 0.000 1.054 281 V HN 1.109 nan 8.190 nan 0.000 0.430 282 G N 1.003 109.824 108.800 0.035 0.000 2.400 282 G HA2 0.763 4.724 3.960 0.001 0.000 0.333 282 G HA3 0.763 4.724 3.960 0.001 0.000 0.333 282 G C -0.582 174.332 174.900 0.023 0.000 1.143 282 G CA -0.212 44.908 45.100 0.034 0.000 0.914 282 G HN 1.153 nan 8.290 nan 0.000 0.480 283 V N -1.153 118.777 119.914 0.027 0.000 3.145 283 V HA 0.652 4.773 4.120 0.001 0.000 0.311 283 V C -0.293 175.807 176.094 0.010 0.000 1.238 283 V CA -1.213 61.099 62.300 0.021 0.000 1.066 283 V CB 1.697 33.542 31.823 0.037 0.000 1.144 283 V HN 0.545 nan 8.190 nan 0.000 0.465 284 D N 1.303 121.708 120.400 0.009 0.000 2.434 284 D HA 0.221 4.862 4.640 0.001 0.000 0.252 284 D C -1.696 174.620 176.300 0.026 0.000 1.185 284 D CA -1.395 52.608 54.000 0.004 0.000 0.886 284 D CB 1.597 42.397 40.800 -0.000 0.000 1.148 284 D HN 0.359 nan 8.370 nan 0.000 0.483 285 P HA -0.149 nan 4.420 nan 0.000 0.218 285 P C 0.853 178.225 177.300 0.120 0.000 1.146 285 P CA 1.349 64.519 63.100 0.118 0.000 0.813 285 P CB 0.210 32.014 31.700 0.173 0.000 0.778 286 K N -0.634 119.779 120.400 0.023 0.000 2.362 286 K HA -0.001 4.320 4.320 0.001 0.000 0.200 286 K C 0.764 177.357 176.600 -0.012 0.000 1.046 286 K CA 1.029 57.276 56.287 -0.067 0.000 0.952 286 K CB -0.040 32.301 32.500 -0.265 0.000 0.753 286 K HN 0.159 nan 8.250 nan 0.000 0.466 287 V N -1.285 118.637 119.914 0.014 0.000 2.724 287 V HA 0.117 4.237 4.120 0.001 0.000 0.341 287 V C 0.783 176.908 176.094 0.052 0.000 1.254 287 V CA -0.641 61.673 62.300 0.024 0.000 1.261 287 V CB 0.110 31.950 31.823 0.028 0.000 1.445 287 V HN 0.093 nan 8.190 nan 0.000 0.652 288 M N 0.628 120.270 119.600 0.069 0.000 2.260 288 M HA 0.118 4.598 4.480 0.001 0.000 0.261 288 M C 1.761 178.114 176.300 0.088 0.000 1.066 288 M CA 2.587 57.940 55.300 0.087 0.000 1.082 288 M CB -1.451 31.217 32.600 0.113 0.000 1.388 288 M HN 0.348 nan 8.290 nan 0.000 0.419 289 G N 0.098 108.948 108.800 0.084 0.000 2.498 289 G HA2 -0.161 3.800 3.960 0.001 0.000 0.219 289 G HA3 -0.161 3.800 3.960 0.001 0.000 0.219 289 G C 1.563 176.495 174.900 0.054 0.000 1.119 289 G CA 1.200 46.351 45.100 0.085 0.000 0.766 289 G HN 0.719 nan 8.290 nan 0.000 0.552 290 T N -1.964 112.627 114.554 0.062 0.000 3.160 290 T HA 0.214 4.564 4.350 0.001 0.000 0.257 290 T C 2.303 177.038 174.700 0.057 0.000 1.147 290 T CA 1.024 63.162 62.100 0.063 0.000 1.064 290 T CB 0.121 69.050 68.868 0.103 0.000 0.949 290 T HN 0.156 nan 8.240 nan 0.000 0.526 291 G N 2.820 111.658 108.800 0.064 0.000 2.513 291 G HA2 -0.149 3.811 3.960 0.001 0.000 0.219 291 G HA3 -0.149 3.811 3.960 0.001 0.000 0.219 291 G C -0.781 174.162 174.900 0.071 0.000 1.160 291 G CA 0.584 45.724 45.100 0.067 0.000 0.767 291 G HN 0.485 nan 8.290 nan 0.000 0.571 292 P HA 0.133 nan 4.420 nan 0.000 0.251 292 P C 1.109 178.461 177.300 0.086 0.000 1.251 292 P CA 0.462 63.627 63.100 0.107 0.000 0.763 292 P CB 0.003 31.776 31.700 0.123 0.000 1.067 293 I N 0.284 120.877 120.570 0.038 0.000 2.899 293 I HA 0.078 4.249 4.170 0.001 0.000 0.257 293 I C -0.585 175.530 176.117 -0.004 0.000 1.115 293 I CA 0.255 61.546 61.300 -0.016 0.000 1.451 293 I CB -1.489 36.500 38.000 -0.018 0.000 1.251 293 I HN -0.061 nan 8.210 nan 0.000 0.456 294 P HA -0.102 nan 4.420 nan 0.000 0.217 294 P C 1.463 178.782 177.300 0.032 0.000 1.151 294 P CA 1.718 64.828 63.100 0.017 0.000 0.828 294 P CB 0.095 31.807 31.700 0.020 0.000 0.788 295 A N 0.539 123.393 122.820 0.056 0.000 1.877 295 A HA -0.139 4.181 4.320 0.001 0.000 0.216 295 A C 2.454 180.100 177.584 0.103 0.000 1.186 295 A CA 2.178 54.262 52.037 0.078 0.000 0.620 295 A CB -1.600 17.462 19.000 0.103 0.000 0.822 295 A HN 0.180 nan 8.150 nan 0.000 0.443 296 S N -0.919 114.866 115.700 0.141 0.000 2.507 296 S HA -0.042 4.429 4.470 0.001 0.000 0.235 296 S C 1.883 176.584 174.600 0.168 0.000 0.988 296 S CA 0.995 59.337 58.200 0.236 0.000 0.944 296 S CB -0.170 63.276 63.200 0.410 0.000 0.762 296 S HN 0.583 nan 8.310 nan 0.000 0.526 297 R N 0.485 121.027 120.500 0.070 0.000 2.175 297 R HA 0.225 4.565 4.340 0.001 0.000 0.202 297 R C 2.166 178.479 176.300 0.023 0.000 1.018 297 R CA 0.287 56.407 56.100 0.035 0.000 1.029 297 R CB -0.018 30.277 30.300 -0.008 0.000 0.959 297 R HN 0.048 nan 8.270 nan 0.000 0.480 298 K N 1.000 121.404 120.400 0.008 0.000 2.243 298 K HA 0.085 4.406 4.320 0.001 0.000 0.201 298 K C 1.767 178.335 176.600 -0.053 0.000 1.051 298 K CA 0.861 57.128 56.287 -0.032 0.000 0.970 298 K CB 0.192 32.662 32.500 -0.050 0.000 0.755 298 K HN 0.092 nan 8.250 nan 0.000 0.465 299 A N 1.689 124.502 122.820 -0.012 0.000 1.877 299 A HA -0.144 4.177 4.320 0.001 0.000 0.216 299 A C 2.239 179.788 177.584 -0.059 0.000 1.186 299 A CA 1.252 53.275 52.037 -0.024 0.000 0.620 299 A CB -0.628 18.411 19.000 0.064 0.000 0.822 299 A HN 0.261 nan 8.150 nan 0.000 0.443 300 L N -0.482 120.750 121.223 0.015 0.000 1.990 300 L HA -0.275 4.065 4.340 0.001 0.000 0.213 300 L C 2.663 179.491 176.870 -0.069 0.000 1.072 300 L CA 2.067 56.922 54.840 0.025 0.000 0.755 300 L CB -0.924 41.207 42.059 0.119 0.000 0.889 300 L HN 0.666 nan 8.230 nan 0.000 0.432 301 E N 1.316 121.483 120.200 -0.055 0.000 2.055 301 E HA -0.312 4.038 4.350 0.001 0.000 0.209 301 E C 2.235 178.753 176.600 -0.136 0.000 1.036 301 E CA 2.071 58.426 56.400 -0.074 0.000 0.849 301 E CB -0.150 29.509 29.700 -0.068 0.000 0.767 301 E HN 0.437 nan 8.360 nan 0.000 0.461 302 R N -0.259 120.136 120.500 -0.175 0.000 2.293 302 R HA -0.041 4.300 4.340 0.001 0.000 0.219 302 R C 2.002 178.122 176.300 -0.299 0.000 1.091 302 R CA 0.672 56.647 56.100 -0.209 0.000 1.004 302 R CB -0.112 30.053 30.300 -0.226 0.000 0.865 302 R HN 0.232 nan 8.270 nan 0.000 0.469 303 A N 0.094 122.651 122.820 -0.438 0.000 2.238 303 A HA 0.256 4.577 4.320 0.001 0.000 0.210 303 A C 1.632 178.743 177.584 -0.787 0.000 1.179 303 A CA 0.581 52.085 52.037 -0.889 0.000 0.827 303 A CB 0.065 18.181 19.000 -1.473 0.000 0.856 303 A HN 0.373 nan 8.150 nan 0.000 0.488 304 G N -2.101 106.512 108.800 -0.313 0.000 2.196 304 G HA2 -0.268 3.692 3.960 0.001 0.000 0.268 304 G HA3 -0.268 3.692 3.960 0.001 0.000 0.268 304 G C -0.065 174.928 174.900 0.155 0.000 0.975 304 G CA 0.629 45.692 45.100 -0.062 0.000 0.648 304 G HN 0.424 nan 8.290 nan 0.000 0.538 305 W N 0.794 122.109 121.300 0.026 0.000 2.381 305 W HA 0.702 5.362 4.660 0.001 0.000 0.329 305 W C 0.662 177.204 176.519 0.040 0.000 1.157 305 W CA -1.627 55.738 57.345 0.033 0.000 1.240 305 W CB 0.549 30.033 29.460 0.040 0.000 1.199 305 W HN -0.018 nan 8.180 nan 0.000 0.579 306 K N 1.827 122.391 120.400 0.272 0.000 2.098 306 K HA 0.279 4.599 4.320 0.001 0.000 0.261 306 K C 1.384 178.100 176.600 0.194 0.000 0.987 306 K CA -0.694 55.699 56.287 0.176 0.000 0.916 306 K CB 1.394 33.965 32.500 0.119 0.000 1.039 306 K HN 0.297 nan 8.250 nan 0.000 0.455 307 I N 0.761 121.431 120.570 0.167 0.000 2.290 307 I HA -0.287 3.884 4.170 0.001 0.000 0.253 307 I C 1.836 178.078 176.117 0.209 0.000 1.112 307 I CA 1.707 63.130 61.300 0.206 0.000 1.377 307 I CB -0.554 37.532 38.000 0.143 0.000 1.060 307 I HN 0.845 nan 8.210 nan 0.000 0.428 308 G N -0.278 108.608 108.800 0.144 0.000 2.985 308 G HA2 -0.066 3.894 3.960 0.001 0.000 0.209 308 G HA3 -0.066 3.894 3.960 0.001 0.000 0.209 308 G C 0.892 175.833 174.900 0.069 0.000 1.165 308 G CA 0.074 45.240 45.100 0.110 0.000 0.776 308 G HN 0.272 nan 8.290 nan 0.000 0.541 309 D N 0.413 120.856 120.400 0.072 0.000 2.234 309 D HA 0.044 4.684 4.640 0.001 0.000 0.205 309 D C 1.329 177.583 176.300 -0.078 0.000 0.962 309 D CA 0.075 54.060 54.000 -0.025 0.000 0.855 309 D CB 0.162 40.936 40.800 -0.043 0.000 0.951 309 D HN 0.239 nan 8.370 nan 0.000 0.500 310 L N 1.265 122.499 121.223 0.018 0.000 2.456 310 L HA 0.080 4.420 4.340 0.001 0.000 0.272 310 L C 0.970 177.817 176.870 -0.038 0.000 1.189 310 L CA 0.278 55.113 54.840 -0.010 0.000 0.846 310 L CB 0.766 42.861 42.059 0.061 0.000 1.111 310 L HN -0.132 nan 8.230 nan 0.000 0.475 311 D N 2.436 122.793 120.400 -0.071 0.000 2.433 311 D HA 0.290 4.930 4.640 0.001 0.000 0.211 311 D C -0.547 175.711 176.300 -0.070 0.000 1.114 311 D CA 0.258 54.219 54.000 -0.064 0.000 0.837 311 D CB 1.320 42.076 40.800 -0.073 0.000 0.984 311 D HN 0.117 nan 8.370 nan 0.000 0.505 312 L N 0.464 121.630 121.223 -0.095 0.000 2.643 312 L HA 0.320 4.661 4.340 0.001 0.000 0.256 312 L C -1.992 174.764 176.870 -0.190 0.000 0.931 312 L CA -0.590 54.182 54.840 -0.114 0.000 0.895 312 L CB 2.351 44.365 42.059 -0.074 0.000 1.430 312 L HN -0.315 nan 8.230 nan 0.000 0.419 313 V N 3.432 123.203 119.914 -0.239 0.000 2.711 313 V HA 0.566 4.686 4.120 0.001 0.000 0.304 313 V C -1.060 174.898 176.094 -0.227 0.000 1.097 313 V CA -0.666 61.414 62.300 -0.366 0.000 0.906 313 V CB 2.043 33.384 31.823 -0.803 0.000 1.015 313 V HN 0.665 nan 8.190 nan 0.000 0.427 314 E N 3.143 123.247 120.200 -0.160 0.000 2.145 314 E HA 0.729 5.079 4.350 0.001 0.000 0.270 314 E C -0.484 176.095 176.600 -0.035 0.000 0.906 314 E CA -0.420 55.942 56.400 -0.063 0.000 0.761 314 E CB 2.321 32.010 29.700 -0.017 0.000 1.116 314 E HN 0.800 nan 8.360 nan 0.000 0.408 315 A N 4.068 126.904 122.820 0.026 0.000 2.363 315 A HA 0.334 4.655 4.320 0.001 0.000 0.296 315 A C -0.252 177.395 177.584 0.103 0.000 1.237 315 A CA -0.882 51.208 52.037 0.089 0.000 0.773 315 A CB 0.236 19.337 19.000 0.169 0.000 1.153 315 A HN 0.493 nan 8.150 nan 0.000 0.473 316 N N 1.966 120.711 118.700 0.076 0.000 2.036 316 N HA -0.058 4.682 4.740 0.001 0.000 0.288 316 N C -0.061 175.485 175.510 0.061 0.000 1.293 316 N CA 1.008 54.090 53.050 0.055 0.000 0.808 316 N CB 0.327 38.832 38.487 0.030 0.000 1.040 316 N HN 0.674 nan 8.380 nan 0.000 0.489 317 E N 1.584 121.826 120.200 0.070 0.000 2.360 317 E HA 0.222 4.573 4.350 0.001 0.000 0.253 317 E C 0.536 177.105 176.600 -0.051 0.000 1.189 317 E CA -0.420 56.035 56.400 0.091 0.000 1.252 317 E CB 0.235 30.085 29.700 0.250 0.000 1.408 317 E HN 0.639 nan 8.360 nan 0.000 0.464 318 A N 1.852 124.568 122.820 -0.172 0.000 1.933 318 A HA -0.043 4.277 4.320 0.001 0.000 0.218 318 A C 0.302 177.288 177.584 -0.995 0.000 1.175 318 A CA 1.172 52.873 52.037 -0.560 0.000 0.628 318 A CB 0.000 18.689 19.000 -0.518 0.000 0.814 318 A HN 0.376 nan 8.150 nan 0.000 0.444 319 F N -4.480 115.481 119.950 0.017 0.000 2.641 319 F HA 0.568 5.095 4.527 0.001 0.000 0.308 319 F C 0.919 176.674 175.800 -0.075 0.000 1.105 319 F CA -0.581 57.420 58.000 0.002 0.000 0.964 319 F CB 1.268 40.251 39.000 -0.029 0.000 1.294 319 F HN -0.024 nan 8.300 nan 0.000 0.442 320 A N 1.344 124.245 122.820 0.134 0.000 1.972 320 A HA 0.063 4.383 4.320 0.001 0.000 0.219 320 A C 2.128 179.575 177.584 -0.229 0.000 1.169 320 A CA 2.117 54.104 52.037 -0.083 0.000 0.635 320 A CB -0.909 18.179 19.000 0.146 0.000 0.810 320 A HN 0.918 nan 8.150 nan 0.000 0.446 321 A N 0.398 123.187 122.820 -0.051 0.000 1.841 321 A HA -0.172 4.148 4.320 0.001 0.000 0.214 321 A C 2.158 179.652 177.584 -0.150 0.000 1.195 321 A CA 1.998 53.984 52.037 -0.086 0.000 0.611 321 A CB -0.730 18.242 19.000 -0.047 0.000 0.835 321 A HN 0.690 nan 8.150 nan 0.000 0.443 322 Q N -0.054 119.706 119.800 -0.066 0.000 2.291 322 Q HA 0.171 4.511 4.340 0.001 0.000 0.205 322 Q C 1.666 177.550 176.000 -0.194 0.000 0.970 322 Q CA 1.961 57.714 55.803 -0.083 0.000 0.876 322 Q CB -0.668 28.119 28.738 0.082 0.000 0.935 322 Q HN 0.480 nan 8.270 nan 0.000 0.455 323 A N 0.273 122.916 122.820 -0.296 0.000 1.872 323 A HA -0.076 4.244 4.320 0.001 0.000 0.214 323 A C 2.277 179.518 177.584 -0.571 0.000 1.187 323 A CA 1.073 52.821 52.037 -0.481 0.000 0.614 323 A CB -1.016 17.457 19.000 -0.879 0.000 0.826 323 A HN 0.592 nan 8.150 nan 0.000 0.442 324 C N -0.827 118.091 119.300 -0.637 0.000 2.422 324 C HA 0.090 4.551 4.460 0.001 0.000 0.279 324 C C 3.234 177.960 174.990 -0.440 0.000 1.305 324 C CA 0.803 59.568 59.018 -0.422 0.000 1.757 324 C CB -1.240 26.334 27.740 -0.276 0.000 1.962 324 C HN 0.680 nan 8.230 nan 0.000 0.499 325 A N -0.026 122.430 122.820 -0.606 0.000 1.874 325 A HA -0.016 4.304 4.320 0.001 0.000 0.214 325 A C 2.256 179.338 177.584 -0.837 0.000 1.189 325 A CA 1.509 52.863 52.037 -1.139 0.000 0.615 325 A CB -0.719 17.433 19.000 -1.413 0.000 0.830 325 A HN 0.306 nan 8.150 nan 0.000 0.443 326 V N 1.342 120.984 119.914 -0.454 0.000 2.380 326 V HA -0.288 3.833 4.120 0.001 0.000 0.251 326 V C 2.177 178.140 176.094 -0.218 0.000 1.063 326 V CA 2.278 64.431 62.300 -0.246 0.000 1.055 326 V CB -0.843 30.933 31.823 -0.078 0.000 0.657 326 V HN 0.564 nan 8.190 nan 0.000 0.455 327 N N -0.294 118.297 118.700 -0.182 0.000 2.333 327 N HA -0.063 4.677 4.740 0.001 0.000 0.178 327 N C 1.699 177.114 175.510 -0.159 0.000 1.018 327 N CA 0.672 53.676 53.050 -0.077 0.000 0.882 327 N CB -0.191 38.337 38.487 0.069 0.000 0.984 327 N HN 0.445 nan 8.380 nan 0.000 0.434 328 K N 0.798 121.030 120.400 -0.279 0.000 2.569 328 K HA -0.041 4.280 4.320 0.001 0.000 0.193 328 K C 0.567 177.071 176.600 -0.160 0.000 1.026 328 K CA 0.518 56.673 56.287 -0.220 0.000 1.093 328 K CB 0.292 32.620 32.500 -0.287 0.000 0.849 328 K HN 0.133 nan 8.250 nan 0.000 0.509 329 D N -0.758 119.518 120.400 -0.206 0.000 2.954 329 D HA -0.026 4.615 4.640 0.001 0.000 0.266 329 D C 1.642 177.834 176.300 -0.179 0.000 1.277 329 D CA 0.069 54.022 54.000 -0.078 0.000 1.130 329 D CB -0.107 40.675 40.800 -0.030 0.000 1.440 329 D HN 0.116 nan 8.370 nan 0.000 0.427 330 L N 0.745 121.747 121.223 -0.369 0.000 2.042 330 L HA 0.030 4.370 4.340 0.001 0.000 0.210 330 L C 2.138 178.688 176.870 -0.532 0.000 1.076 330 L CA 1.892 56.359 54.840 -0.621 0.000 0.749 330 L CB -0.421 40.868 42.059 -1.284 0.000 0.893 330 L HN 0.524 nan 8.230 nan 0.000 0.432 331 G N -1.637 106.907 108.800 -0.427 0.000 2.234 331 G HA2 -0.257 3.704 3.960 0.001 0.000 0.235 331 G HA3 -0.257 3.704 3.960 0.001 0.000 0.235 331 G C 0.024 174.915 174.900 -0.016 0.000 0.997 331 G CA 0.014 45.015 45.100 -0.165 0.000 0.623 331 G HN 0.324 nan 8.290 nan 0.000 0.514 332 W N 1.867 123.186 121.300 0.032 0.000 2.187 332 W HA 0.524 5.184 4.660 0.001 0.000 0.348 332 W C 0.103 176.640 176.519 0.029 0.000 1.282 332 W CA -1.702 55.663 57.345 0.033 0.000 1.271 332 W CB 0.010 29.494 29.460 0.039 0.000 1.170 332 W HN 0.135 nan 8.180 nan 0.000 0.583 333 D N 3.432 124.019 120.400 0.311 0.000 2.660 333 D HA -0.080 4.560 4.640 0.001 0.000 0.253 333 D C -1.179 175.236 176.300 0.193 0.000 1.256 333 D CA -0.741 53.368 54.000 0.182 0.000 0.914 333 D CB 0.759 41.618 40.800 0.099 0.000 1.137 333 D HN 0.108 nan 8.370 nan 0.000 0.542 334 P HA -0.160 nan 4.420 nan 0.000 0.216 334 P C 1.196 178.562 177.300 0.108 0.000 1.150 334 P CA 1.389 64.592 63.100 0.172 0.000 0.843 334 P CB 0.031 31.808 31.700 0.128 0.000 0.787 335 S N -0.775 114.967 115.700 0.070 0.000 2.607 335 S HA -0.020 4.451 4.470 0.001 0.000 0.224 335 S C 1.524 176.132 174.600 0.013 0.000 0.969 335 S CA 0.209 58.429 58.200 0.034 0.000 0.927 335 S CB -1.311 61.903 63.200 0.023 0.000 0.772 335 S HN 0.340 nan 8.310 nan 0.000 0.533 336 I N -1.311 119.266 120.570 0.011 0.000 3.976 336 I HA 0.440 4.611 4.170 0.001 0.000 0.337 336 I C -0.559 175.522 176.117 -0.059 0.000 1.359 336 I CA -0.524 60.759 61.300 -0.028 0.000 1.098 336 I CB 0.376 38.352 38.000 -0.039 0.000 1.027 336 I HN -0.055 nan 8.210 nan 0.000 0.394 337 V N 3.614 123.514 119.914 -0.024 0.000 2.461 337 V HA 0.236 4.356 4.120 0.001 0.000 0.275 337 V C 0.066 176.159 176.094 -0.003 0.000 1.047 337 V CA -0.293 61.993 62.300 -0.024 0.000 0.955 337 V CB 0.275 32.147 31.823 0.081 0.000 0.988 337 V HN 0.631 nan 8.190 nan 0.000 0.471 338 N N 3.026 121.720 118.700 -0.009 0.000 2.671 338 N HA -0.146 4.595 4.740 0.001 0.000 0.261 338 N C 0.888 176.397 175.510 -0.001 0.000 1.053 338 N CA 0.749 53.806 53.050 0.011 0.000 0.732 338 N CB -1.063 37.441 38.487 0.029 0.000 0.887 338 N HN 0.461 nan 8.380 nan 0.000 0.546 339 V N -0.200 119.708 119.914 -0.010 0.000 2.428 339 V HA -0.303 3.817 4.120 0.001 0.000 0.255 339 V C 1.620 177.699 176.094 -0.025 0.000 1.080 339 V CA 2.542 64.828 62.300 -0.023 0.000 1.083 339 V CB -0.281 31.524 31.823 -0.030 0.000 0.665 339 V HN 0.816 nan 8.190 nan 0.000 0.461 340 N N -1.008 117.704 118.700 0.020 0.000 2.377 340 N HA 0.418 5.158 4.740 0.001 0.000 0.259 340 N C 0.245 175.869 175.510 0.190 0.000 1.332 340 N CA 0.462 53.544 53.050 0.053 0.000 0.877 340 N CB 0.653 39.108 38.487 -0.053 0.000 1.299 340 N HN 0.522 nan 8.380 nan 0.000 0.501 341 G N -1.541 107.314 108.800 0.091 0.000 2.712 341 G HA2 0.221 4.182 3.960 0.001 0.000 0.683 341 G HA3 0.221 4.182 3.960 0.001 0.000 0.683 341 G C 0.095 175.042 174.900 0.079 0.000 1.320 341 G CA -0.288 44.853 45.100 0.069 0.000 0.847 341 G HN 0.678 nan 8.290 nan 0.000 0.553 342 G N -2.088 106.747 108.800 0.059 0.000 2.451 342 G HA2 0.711 4.671 3.960 0.001 0.000 0.188 342 G HA3 0.711 4.671 3.960 0.001 0.000 0.188 342 G C 1.070 175.996 174.900 0.043 0.000 1.512 342 G CA 1.943 47.080 45.100 0.061 0.000 0.679 342 G HN 2.169 nan 8.290 nan 0.000 0.640 343 A N -0.784 122.071 122.820 0.059 0.000 2.167 343 A HA 0.445 4.766 4.320 0.001 0.000 0.184 343 A C 1.963 179.608 177.584 0.102 0.000 1.675 343 A CA 0.125 52.194 52.037 0.054 0.000 1.215 343 A CB -0.084 18.922 19.000 0.011 0.000 1.427 343 A HN 0.208 nan 8.150 nan 0.000 0.457 344 I N 0.452 121.083 120.570 0.102 0.000 2.208 344 I HA -0.270 3.901 4.170 0.001 0.000 0.245 344 I C 2.660 178.824 176.117 0.078 0.000 1.097 344 I CA 1.700 63.069 61.300 0.115 0.000 1.363 344 I CB -0.095 37.976 38.000 0.118 0.000 1.051 344 I HN 0.407 nan 8.210 nan 0.000 0.413 345 A N 0.187 123.019 122.820 0.020 0.000 1.993 345 A HA 0.158 4.478 4.320 0.001 0.000 0.207 345 A C 2.148 179.725 177.584 -0.012 0.000 1.224 345 A CA 0.201 52.180 52.037 -0.096 0.000 0.749 345 A CB -0.208 18.740 19.000 -0.087 0.000 0.884 345 A HN 0.280 nan 8.150 nan 0.000 0.467 346 I N -0.744 119.865 120.570 0.066 0.000 2.406 346 I HA 0.255 4.426 4.170 0.001 0.000 0.249 346 I C 1.311 177.534 176.117 0.177 0.000 1.122 346 I CA 0.999 62.322 61.300 0.038 0.000 1.431 346 I CB -0.488 37.465 38.000 -0.078 0.000 1.087 346 I HN 0.447 nan 8.210 nan 0.000 0.424 347 G N 0.740 109.667 108.800 0.212 0.000 2.392 347 G HA2 0.290 4.250 3.960 0.001 0.000 0.677 347 G HA3 0.290 4.250 3.960 0.001 0.000 0.677 347 G C -1.106 173.771 174.900 -0.038 0.000 1.334 347 G CA -0.366 44.750 45.100 0.028 0.000 0.961 347 G HN 0.489 nan 8.290 nan 0.000 0.616 348 A N 0.756 123.514 122.820 -0.103 0.000 3.007 348 A HA 0.767 5.087 4.320 0.001 0.000 0.314 348 A C -2.836 174.700 177.584 -0.080 0.000 1.153 348 A CA -1.006 50.983 52.037 -0.079 0.000 0.780 348 A CB 1.388 20.336 19.000 -0.087 0.000 1.258 348 A HN 0.538 nan 8.150 nan 0.000 0.460 349 P HA 0.264 nan 4.420 nan 0.000 0.274 349 P C 1.237 178.513 177.300 -0.040 0.000 1.291 349 P CA -0.158 62.917 63.100 -0.042 0.000 0.815 349 P CB 0.367 32.045 31.700 -0.036 0.000 0.897 350 I N 2.582 123.130 120.570 -0.035 0.000 2.109 350 I HA -0.352 3.818 4.170 0.001 0.000 0.233 350 I C 2.515 178.615 176.117 -0.029 0.000 1.005 350 I CA 2.365 63.646 61.300 -0.032 0.000 1.294 350 I CB -1.360 36.625 38.000 -0.025 0.000 1.005 350 I HN 0.428 nan 8.210 nan 0.000 0.392 351 G N -0.111 108.672 108.800 -0.029 0.000 2.475 351 G HA2 -0.220 3.740 3.960 0.001 0.000 0.220 351 G HA3 -0.220 3.740 3.960 0.001 0.000 0.220 351 G C 1.707 176.581 174.900 -0.042 0.000 1.125 351 G CA 0.977 46.057 45.100 -0.033 0.000 0.755 351 G HN 0.595 nan 8.290 nan 0.000 0.565 352 A N 0.325 123.118 122.820 -0.046 0.000 2.021 352 A HA 0.185 4.506 4.320 0.001 0.000 0.216 352 A C 2.498 180.058 177.584 -0.040 0.000 1.163 352 A CA 1.686 53.693 52.037 -0.050 0.000 0.676 352 A CB -0.609 18.355 19.000 -0.060 0.000 0.818 352 A HN 0.454 nan 8.150 nan 0.000 0.453 353 S N 0.199 115.878 115.700 -0.034 0.000 2.393 353 S HA -0.233 4.237 4.470 0.001 0.000 0.235 353 S C 2.086 176.677 174.600 -0.016 0.000 1.061 353 S CA 2.578 60.763 58.200 -0.025 0.000 1.129 353 S CB -0.959 62.227 63.200 -0.025 0.000 1.011 353 S HN 0.755 nan 8.310 nan 0.000 0.436 354 G N 0.655 109.445 108.800 -0.016 0.000 2.459 354 G HA2 -0.028 3.933 3.960 0.001 0.000 0.217 354 G HA3 -0.028 3.933 3.960 0.001 0.000 0.217 354 G C 1.765 176.657 174.900 -0.014 0.000 1.183 354 G CA 1.197 46.291 45.100 -0.010 0.000 0.776 354 G HN 0.867 nan 8.290 nan 0.000 0.552 355 A N 0.064 122.868 122.820 -0.027 0.000 2.015 355 A HA 0.050 4.370 4.320 0.001 0.000 0.219 355 A C 2.378 179.957 177.584 -0.007 0.000 1.163 355 A CA 1.700 53.721 52.037 -0.027 0.000 0.646 355 A CB -0.361 18.613 19.000 -0.044 0.000 0.806 355 A HN 0.254 nan 8.150 nan 0.000 0.448 356 R N 0.831 121.325 120.500 -0.010 0.000 2.070 356 R HA -0.132 4.209 4.340 0.001 0.000 0.232 356 R C 2.085 178.396 176.300 0.019 0.000 1.138 356 R CA 2.077 58.177 56.100 -0.000 0.000 0.936 356 R CB -0.894 29.396 30.300 -0.017 0.000 0.839 356 R HN 0.738 nan 8.270 nan 0.000 0.429 357 I N -1.171 119.408 120.570 0.015 0.000 2.756 357 I HA -0.143 4.027 4.170 0.001 0.000 0.262 357 I C 2.166 178.302 176.117 0.032 0.000 1.225 357 I CA 1.059 62.375 61.300 0.028 0.000 1.472 357 I CB -0.176 37.838 38.000 0.023 0.000 1.094 357 I HN 0.096 nan 8.210 nan 0.000 0.454 358 L N 1.126 122.362 121.223 0.022 0.000 2.044 358 L HA -0.154 4.186 4.340 0.001 0.000 0.205 358 L C 2.416 179.309 176.870 0.037 0.000 1.075 358 L CA 1.494 56.344 54.840 0.016 0.000 0.747 358 L CB -0.651 41.405 42.059 -0.005 0.000 0.903 358 L HN 0.415 nan 8.230 nan 0.000 0.435 359 N N -0.720 118.019 118.700 0.065 0.000 2.049 359 N HA -0.243 4.497 4.740 0.001 0.000 0.198 359 N C 1.511 177.155 175.510 0.223 0.000 1.030 359 N CA 2.480 55.620 53.050 0.150 0.000 0.870 359 N CB -0.091 38.505 38.487 0.181 0.000 1.045 359 N HN 0.404 nan 8.380 nan 0.000 0.434 360 T N 2.975 117.633 114.554 0.173 0.000 2.607 360 T HA -0.170 4.180 4.350 0.001 0.000 0.267 360 T C 1.936 176.715 174.700 0.131 0.000 1.049 360 T CA 0.743 62.947 62.100 0.173 0.000 1.162 360 T CB -0.483 68.475 68.868 0.149 0.000 0.863 360 T HN 0.158 nan 8.240 nan 0.000 0.424 361 L N 0.858 122.127 121.223 0.076 0.000 1.956 361 L HA -0.090 4.250 4.340 0.001 0.000 0.216 361 L C 2.503 179.390 176.870 0.028 0.000 1.073 361 L CA 1.817 56.677 54.840 0.034 0.000 0.762 361 L CB -1.215 40.849 42.059 0.008 0.000 0.889 361 L HN 0.342 nan 8.230 nan 0.000 0.433 362 L N -1.110 120.112 121.223 -0.003 0.000 1.965 362 L HA -0.353 3.987 4.340 0.001 0.000 0.226 362 L C 2.573 179.395 176.870 -0.080 0.000 1.083 362 L CA 1.966 56.753 54.840 -0.088 0.000 0.790 362 L CB -0.736 41.201 42.059 -0.204 0.000 0.898 362 L HN 0.150 nan 8.230 nan 0.000 0.439 363 F N 0.000 119.955 119.950 0.008 0.000 2.161 363 F HA -0.260 4.267 4.527 0.001 0.000 0.300 363 F C 2.578 178.377 175.800 -0.002 0.000 1.089 363 F CA 1.722 59.726 58.000 0.006 0.000 1.282 363 F CB -0.450 38.559 39.000 0.014 0.000 1.010 363 F HN 0.149 nan 8.300 nan 0.000 0.485 364 E N 0.322 120.628 120.200 0.176 0.000 2.051 364 E HA -0.228 4.122 4.350 0.001 0.000 0.192 364 E C 2.162 178.790 176.600 0.047 0.000 0.991 364 E CA 1.567 58.020 56.400 0.087 0.000 0.799 364 E CB -0.382 29.349 29.700 0.051 0.000 0.748 364 E HN 0.350 nan 8.360 nan 0.000 0.449 365 M N -0.117 119.499 119.600 0.026 0.000 2.337 365 M HA -0.180 4.301 4.480 0.001 0.000 0.261 365 M C 2.193 178.498 176.300 0.007 0.000 1.067 365 M CA 1.456 56.757 55.300 0.001 0.000 1.074 365 M CB -0.131 32.461 32.600 -0.014 0.000 1.395 365 M HN 0.008 nan 8.290 nan 0.000 0.431 366 K N 0.637 121.057 120.400 0.033 0.000 2.334 366 K HA -0.039 4.282 4.320 0.001 0.000 0.195 366 K C 1.983 178.618 176.600 0.059 0.000 1.045 366 K CA 0.320 56.633 56.287 0.044 0.000 1.004 366 K CB 0.362 32.896 32.500 0.058 0.000 0.837 366 K HN 0.385 nan 8.250 nan 0.000 0.510 367 R N 0.444 120.986 120.500 0.069 0.000 2.128 367 R HA 0.005 4.346 4.340 0.001 0.000 0.211 367 R C 2.052 178.363 176.300 0.017 0.000 1.067 367 R CA 0.606 56.735 56.100 0.047 0.000 1.010 367 R CB -0.350 29.979 30.300 0.049 0.000 0.922 367 R HN 0.026 nan 8.270 nan 0.000 0.457 368 R N 0.734 121.240 120.500 0.010 0.000 2.280 368 R HA 0.223 4.564 4.340 0.001 0.000 0.195 368 R C 0.221 176.516 176.300 -0.009 0.000 0.935 368 R CA 0.507 56.604 56.100 -0.005 0.000 1.033 368 R CB 0.060 30.352 30.300 -0.012 0.000 0.964 368 R HN 0.253 nan 8.270 nan 0.000 0.489 369 G N 0.785 109.582 108.800 -0.005 0.000 2.487 369 G HA2 -0.004 3.957 3.960 0.001 0.000 0.243 369 G HA3 -0.004 3.957 3.960 0.001 0.000 0.243 369 G C -0.318 174.566 174.900 -0.026 0.000 0.918 369 G CA 0.055 45.147 45.100 -0.012 0.000 1.260 369 G HN 0.699 nan 8.290 nan 0.000 0.408 370 A N 2.221 125.020 122.820 -0.034 0.000 2.475 370 A HA 0.891 5.211 4.320 0.001 0.000 0.301 370 A C 0.913 178.454 177.584 -0.073 0.000 1.059 370 A CA -0.200 51.805 52.037 -0.054 0.000 0.710 370 A CB 1.147 20.114 19.000 -0.053 0.000 1.288 370 A HN 0.650 nan 8.150 nan 0.000 0.408 371 R N 0.577 121.012 120.500 -0.108 0.000 2.073 371 R HA -0.009 4.331 4.340 0.001 0.000 0.234 371 R C -0.152 176.030 176.300 -0.197 0.000 1.134 371 R CA 1.550 57.558 56.100 -0.153 0.000 0.952 371 R CB -0.214 29.962 30.300 -0.206 0.000 0.850 371 R HN 0.657 nan 8.270 nan 0.000 0.433 372 K N -0.416 119.851 120.400 -0.222 0.000 2.443 372 K HA 0.597 4.917 4.320 0.001 0.000 0.252 372 K C -0.639 175.911 176.600 -0.084 0.000 0.933 372 K CA -0.543 55.609 56.287 -0.224 0.000 0.792 372 K CB 2.518 34.701 32.500 -0.528 0.000 1.185 372 K HN 0.174 nan 8.250 nan 0.000 0.425 373 G N 1.810 110.610 108.800 -0.001 0.000 2.680 373 G HA2 0.834 4.794 3.960 0.001 0.000 0.290 373 G HA3 0.834 4.794 3.960 0.001 0.000 0.290 373 G C -1.684 173.227 174.900 0.019 0.000 1.355 373 G CA -0.643 44.448 45.100 -0.014 0.000 0.903 373 G HN 0.402 nan 8.290 nan 0.000 0.474 374 L N -0.644 120.547 121.223 -0.054 0.000 2.582 374 L HA 0.719 5.059 4.340 0.001 0.000 0.257 374 L C -0.996 175.814 176.870 -0.101 0.000 0.974 374 L CA -0.983 53.828 54.840 -0.048 0.000 0.851 374 L CB 2.216 44.255 42.059 -0.032 0.000 1.424 374 L HN 0.901 nan 8.230 nan 0.000 0.412 375 A N 1.147 123.947 122.820 -0.035 0.000 2.414 375 A HA 0.816 5.137 4.320 0.001 0.000 0.306 375 A C -0.880 176.722 177.584 0.030 0.000 1.054 375 A CA -0.394 51.630 52.037 -0.022 0.000 0.724 375 A CB 2.122 21.123 19.000 0.001 0.000 1.267 375 A HN 0.586 nan 8.150 nan 0.000 0.418 376 T N 0.762 115.348 114.554 0.052 0.000 2.896 376 T HA 0.740 5.091 4.350 0.001 0.000 0.297 376 T C -1.678 173.076 174.700 0.091 0.000 1.108 376 T CA -0.387 61.776 62.100 0.105 0.000 1.004 376 T CB 0.681 69.664 68.868 0.191 0.000 1.159 376 T HN 0.816 nan 8.240 nan 0.000 0.499 377 L N 2.052 123.329 121.223 0.089 0.000 2.465 377 L HA 0.647 4.987 4.340 0.001 0.000 0.257 377 L C 0.057 176.972 176.870 0.075 0.000 0.988 377 L CA -0.995 53.886 54.840 0.069 0.000 0.827 377 L CB 1.209 43.296 42.059 0.047 0.000 1.397 377 L HN 0.923 nan 8.230 nan 0.000 0.410 378 C N 0.239 119.579 119.300 0.067 0.000 2.534 378 C HA 0.854 5.315 4.460 0.001 0.000 0.385 378 C C 0.154 175.189 174.990 0.075 0.000 1.264 378 C CA -0.892 58.173 59.018 0.078 0.000 2.342 378 C CB -0.329 27.467 27.740 0.093 0.000 2.564 378 C HN 0.631 nan 8.230 nan 0.000 0.603 379 I N 1.327 121.947 120.570 0.084 0.000 2.569 379 I HA 0.527 4.697 4.170 0.001 0.000 0.290 379 I C 0.906 177.081 176.117 0.096 0.000 1.088 379 I CA -0.198 61.150 61.300 0.081 0.000 1.047 379 I CB 1.698 39.744 38.000 0.077 0.000 1.237 379 I HN 1.010 nan 8.210 nan 0.000 0.421 380 G N 2.610 111.465 108.800 0.092 0.000 2.554 380 G HA2 0.390 4.350 3.960 0.001 0.000 0.238 380 G HA3 0.390 4.350 3.960 0.001 0.000 0.238 380 G C 0.956 175.940 174.900 0.139 0.000 1.259 380 G CA 0.488 45.652 45.100 0.107 0.000 0.843 380 G HN 1.257 nan 8.290 nan 0.000 0.582 381 G N -0.702 108.220 108.800 0.204 0.000 2.162 381 G HA2 0.249 4.209 3.960 0.001 0.000 0.260 381 G HA3 0.249 4.209 3.960 0.001 0.000 0.260 381 G C 1.163 176.178 174.900 0.191 0.000 0.976 381 G CA 0.886 46.188 45.100 0.337 0.000 0.655 381 G HN 2.746 nan 8.290 nan 0.000 0.533 382 G N -1.279 107.604 108.800 0.139 0.000 2.623 382 G HA2 0.119 4.079 3.960 0.001 0.000 0.281 382 G HA3 0.119 4.079 3.960 0.001 0.000 0.281 382 G C -0.118 174.826 174.900 0.074 0.000 1.087 382 G CA 1.006 46.160 45.100 0.089 0.000 1.244 382 G HN 1.265 nan 8.290 nan 0.000 0.544 383 M N -0.698 118.951 119.600 0.082 0.000 2.843 383 M HA 0.769 5.249 4.480 0.001 0.000 0.273 383 M C 0.316 176.663 176.300 0.079 0.000 1.286 383 M CA -0.221 55.125 55.300 0.076 0.000 0.807 383 M CB 2.430 35.080 32.600 0.083 0.000 1.684 383 M HN 1.062 nan 8.290 nan 0.000 0.458 384 G N -0.026 108.823 108.800 0.082 0.000 2.698 384 G HA2 0.674 4.635 3.960 0.001 0.000 0.293 384 G HA3 0.674 4.635 3.960 0.001 0.000 0.293 384 G C -2.454 172.509 174.900 0.104 0.000 1.437 384 G CA -0.555 44.598 45.100 0.090 0.000 0.852 384 G HN 0.652 nan 8.290 nan 0.000 0.499 385 V N -0.590 119.392 119.914 0.114 0.000 3.120 385 V HA 0.973 5.093 4.120 0.001 0.000 0.303 385 V C -0.861 175.320 176.094 0.144 0.000 1.238 385 V CA 0.364 62.748 62.300 0.139 0.000 1.008 385 V CB 1.828 33.728 31.823 0.127 0.000 1.064 385 V HN 2.454 nan 8.190 nan 0.000 0.434 386 A N 5.620 128.546 122.820 0.178 0.000 2.586 386 A HA 0.872 5.192 4.320 0.001 0.000 0.291 386 A C -1.301 176.409 177.584 0.211 0.000 1.062 386 A CA -0.065 52.071 52.037 0.165 0.000 0.666 386 A CB 1.774 20.870 19.000 0.161 0.000 1.281 386 A HN 1.496 nan 8.150 nan 0.000 0.421 387 M N -0.290 119.413 119.600 0.171 0.000 2.775 387 M HA 0.725 5.205 4.480 0.001 0.000 0.296 387 M C -1.709 174.680 176.300 0.149 0.000 1.248 387 M CA -0.469 54.950 55.300 0.199 0.000 0.800 387 M CB 2.175 34.861 32.600 0.143 0.000 1.765 387 M HN 0.767 nan 8.290 nan 0.000 0.472 388 C N 3.044 122.424 119.300 0.133 0.000 2.316 388 C HA 0.657 5.117 4.460 0.001 0.000 0.324 388 C C -0.749 174.349 174.990 0.181 0.000 1.226 388 C CA -0.967 58.120 59.018 0.115 0.000 1.450 388 C CB -0.040 27.628 27.740 -0.121 0.000 2.123 388 C HN 0.511 nan 8.230 nan 0.000 0.454 389 I N 2.761 123.482 120.570 0.252 0.000 2.493 389 I HA 0.506 4.677 4.170 0.001 0.000 0.298 389 I C 0.085 176.357 176.117 0.258 0.000 0.998 389 I CA -0.237 61.184 61.300 0.202 0.000 1.137 389 I CB 1.714 39.772 38.000 0.096 0.000 1.310 389 I HN 0.694 nan 8.210 nan 0.000 0.445 390 E N 3.592 123.907 120.200 0.192 0.000 2.761 390 E HA 0.189 4.540 4.350 0.001 0.000 0.266 390 E C -0.471 176.157 176.600 0.048 0.000 1.097 390 E CA -0.217 56.255 56.400 0.120 0.000 0.773 390 E CB 1.032 30.876 29.700 0.240 0.000 1.453 390 E HN 0.709 nan 8.360 nan 0.000 0.388 391 S N 2.661 118.365 115.700 0.007 0.000 2.558 391 S HA 0.069 4.539 4.470 0.001 0.000 0.287 391 S C 0.522 175.119 174.600 -0.005 0.000 1.321 391 S CA -0.245 57.952 58.200 -0.005 0.000 1.048 391 S CB 0.710 63.900 63.200 -0.017 0.000 0.844 391 S HN 0.495 nan 8.310 nan 0.000 0.512 392 L N 0.000 121.222 121.223 -0.001 0.000 2.949 392 L HA 0.000 4.340 4.340 0.001 0.000 0.249 392 L CA 0.000 54.841 54.840 0.002 0.000 0.813 392 L CB 0.000 42.063 42.059 0.007 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502