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 3m72_1_A DATA FIRST_RESID 6 DATA SEQUENCE PFPLPTGYFG IPLGLAALSL AWFHLENLFP AARMVSDVLG IVASAVWILF DATA SEQUENCE ILMYAYKLRY YFEEVRAEYH SPVRFSFIAL IPITTMLVGD ILYRWNPLIA DATA SEQUENCE EVLIWIGTIG QLLFSTLRVS ELWQGGVFEQ KSTHPSFYLP AVAANFTSAS DATA SEQUENCE SLALLGYHDL GYLFFGAGMI AWIIFEPVLL QHLRISSLEP QFRATMGIVL DATA SEQUENCE APPFVCVSAY LSINHGEVDT LAKILWGYGF LQLFFLLRLF PWIVEKGLNI DATA SEQUENCE GLWAFSFPLA SMANSATAFY HGNVLQGVSI FAFVFSNVMI GLLVLMTIYK DATA SEQUENCE LTKGQF 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.490 177.300 0.317 0.000 1.155 6 P CA 0.000 63.199 63.100 0.165 0.000 0.800 6 P CB 0.000 31.865 31.700 0.275 0.000 0.726 7 F N -1.302 118.668 119.950 0.035 0.000 2.703 7 F HA 0.758 5.284 4.527 -0.001 0.000 0.308 7 F C -3.117 172.449 175.800 -0.390 0.000 1.126 7 F CA -1.816 56.093 58.000 -0.152 0.000 0.959 7 F CB 1.447 40.352 39.000 -0.159 0.000 1.297 7 F HN 0.006 nan 8.300 nan 0.000 0.441 8 P HA 0.311 nan 4.420 nan 0.000 0.293 8 P C -0.967 176.178 177.300 -0.258 0.000 1.313 8 P CA -0.169 62.505 63.100 -0.710 0.000 0.787 8 P CB 1.918 33.146 31.700 -0.787 0.000 0.910 9 L N 7.156 128.219 121.223 -0.267 0.000 2.462 9 L HA 0.298 4.637 4.340 -0.001 0.000 0.272 9 L C -2.372 174.498 176.870 -0.000 0.000 1.166 9 L CA -1.568 53.200 54.840 -0.120 0.000 0.880 9 L CB -0.221 41.726 42.059 -0.186 0.000 1.142 9 L HN 0.239 nan 8.230 nan 0.000 0.473 10 P HA 0.200 nan 4.420 nan 0.000 0.276 10 P C 0.310 177.728 177.300 0.196 0.000 1.243 10 P CA -0.223 62.952 63.100 0.124 0.000 0.768 10 P CB 0.814 32.622 31.700 0.180 0.000 0.856 11 T N 1.956 116.634 114.554 0.206 0.000 2.803 11 T HA -0.126 4.223 4.350 -0.001 0.000 0.269 11 T C 2.060 176.910 174.700 0.250 0.000 1.052 11 T CA 1.838 64.119 62.100 0.302 0.000 1.136 11 T CB -0.768 68.263 68.868 0.273 0.000 0.864 11 T HN 0.600 nan 8.240 nan 0.000 0.467 12 G N -0.191 108.625 108.800 0.026 0.000 2.501 12 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.220 12 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.220 12 G C 1.074 175.963 174.900 -0.017 0.000 1.114 12 G CA 0.229 45.299 45.100 -0.050 0.000 0.757 12 G HN 0.503 nan 8.290 nan 0.000 0.559 13 Y N -0.537 119.723 120.300 -0.065 0.000 2.483 13 Y HA 0.006 4.555 4.550 -0.002 0.000 0.291 13 Y C 2.114 178.048 175.900 0.057 0.000 1.143 13 Y CA 0.537 58.545 58.100 -0.154 0.000 1.289 13 Y CB -0.222 37.915 38.460 -0.538 0.000 0.983 13 Y HN 0.229 nan 8.280 nan 0.000 0.556 14 F N -0.840 119.239 119.950 0.215 0.000 2.408 14 F HA -0.102 4.424 4.527 -0.001 0.000 0.300 14 F C 2.377 178.280 175.800 0.172 0.000 1.090 14 F CA 1.090 59.256 58.000 0.276 0.000 1.427 14 F CB -0.702 38.389 39.000 0.152 0.000 1.070 14 F HN 0.014 nan 8.300 nan 0.000 0.549 15 G N 0.232 109.192 108.800 0.267 0.000 2.462 15 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.220 15 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.220 15 G C 1.715 176.731 174.900 0.193 0.000 1.121 15 G CA 0.855 46.080 45.100 0.208 0.000 0.758 15 G HN 0.368 nan 8.290 nan 0.000 0.559 16 I N 1.524 122.132 120.570 0.063 0.000 2.162 16 I HA -0.070 4.099 4.170 -0.001 0.000 0.238 16 I C 0.101 176.168 176.117 -0.083 0.000 1.076 16 I CA 0.920 62.075 61.300 -0.243 0.000 1.353 16 I CB -0.889 36.796 38.000 -0.526 0.000 1.063 16 I HN 0.098 nan 8.210 nan 0.000 0.408 17 P HA -0.173 nan 4.420 nan 0.000 0.218 17 P C 1.894 179.252 177.300 0.096 0.000 1.149 17 P CA 1.210 64.322 63.100 0.019 0.000 0.817 17 P CB -0.043 31.680 31.700 0.038 0.000 0.785 18 L N 0.748 122.046 121.223 0.125 0.000 2.012 18 L HA -0.056 4.283 4.340 -0.001 0.000 0.210 18 L C 2.520 179.488 176.870 0.163 0.000 1.073 18 L CA 2.557 57.431 54.840 0.058 0.000 0.748 18 L CB -1.737 40.278 42.059 -0.072 0.000 0.891 18 L HN -0.024 nan 8.230 nan 0.000 0.431 19 G N -0.749 108.215 108.800 0.273 0.000 2.402 19 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.216 19 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.216 19 G C 1.603 176.696 174.900 0.323 0.000 1.162 19 G CA 0.971 46.307 45.100 0.394 0.000 0.777 19 G HN 0.439 nan 8.290 nan 0.000 0.539 20 L N 0.583 121.969 121.223 0.272 0.000 2.093 20 L HA 0.006 4.345 4.340 -0.001 0.000 0.208 20 L C 3.378 180.339 176.870 0.153 0.000 1.085 20 L CA 0.854 55.819 54.840 0.209 0.000 0.755 20 L CB -0.372 41.776 42.059 0.147 0.000 0.904 20 L HN 0.303 nan 8.230 nan 0.000 0.435 21 A N 0.253 123.145 122.820 0.121 0.000 1.873 21 A HA -0.150 4.169 4.320 -0.001 0.000 0.215 21 A C 2.555 180.205 177.584 0.109 0.000 1.186 21 A CA 1.661 53.742 52.037 0.074 0.000 0.616 21 A CB -0.728 18.281 19.000 0.014 0.000 0.823 21 A HN 0.372 nan 8.150 nan 0.000 0.442 22 A N -0.774 122.155 122.820 0.182 0.000 1.940 22 A HA -0.060 4.259 4.320 -0.001 0.000 0.219 22 A C 2.120 179.821 177.584 0.195 0.000 1.176 22 A CA 1.785 53.956 52.037 0.222 0.000 0.631 22 A CB -0.536 18.681 19.000 0.361 0.000 0.814 22 A HN 0.594 nan 8.150 nan 0.000 0.446 23 L N -0.433 120.915 121.223 0.209 0.000 2.109 23 L HA -0.044 4.296 4.340 -0.001 0.000 0.207 23 L C 2.642 179.705 176.870 0.323 0.000 1.086 23 L CA 2.208 57.193 54.840 0.242 0.000 0.760 23 L CB -0.640 41.559 42.059 0.234 0.000 0.910 23 L HN 0.377 nan 8.230 nan 0.000 0.437 24 S N -0.764 115.067 115.700 0.219 0.000 2.359 24 S HA -0.207 4.262 4.470 -0.001 0.000 0.224 24 S C 2.044 176.753 174.600 0.182 0.000 1.035 24 S CA 1.807 60.119 58.200 0.187 0.000 1.018 24 S CB -0.391 62.857 63.200 0.080 0.000 0.876 24 S HN 0.485 nan 8.310 nan 0.000 0.448 25 L N 0.975 122.251 121.223 0.088 0.000 2.093 25 L HA -0.020 4.319 4.340 -0.001 0.000 0.208 25 L C 2.989 179.851 176.870 -0.013 0.000 1.085 25 L CA 1.078 55.895 54.840 -0.040 0.000 0.755 25 L CB -0.729 41.305 42.059 -0.042 0.000 0.904 25 L HN 0.423 nan 8.230 nan 0.000 0.435 26 A N -0.374 122.557 122.820 0.186 0.000 1.877 26 A HA -0.234 4.085 4.320 -0.001 0.000 0.216 26 A C 1.915 179.694 177.584 0.325 0.000 1.186 26 A CA 1.603 53.806 52.037 0.278 0.000 0.620 26 A CB -0.990 18.155 19.000 0.242 0.000 0.822 26 A HN 0.504 nan 8.150 nan 0.000 0.443 27 W N -1.543 119.927 121.300 0.282 0.000 2.402 27 W HA -0.046 4.613 4.660 -0.002 0.000 0.286 27 W C 1.940 178.569 176.519 0.182 0.000 1.221 27 W CA 0.905 58.422 57.345 0.286 0.000 1.257 27 W CB -0.538 29.067 29.460 0.243 0.000 1.120 27 W HN 0.425 nan 8.180 nan 0.000 0.551 28 F N 0.290 120.336 119.950 0.160 0.000 2.161 28 F HA -0.253 4.273 4.527 -0.002 0.000 0.300 28 F C 2.104 177.932 175.800 0.047 0.000 1.089 28 F CA 2.125 60.129 58.000 0.006 0.000 1.282 28 F CB -0.723 38.161 39.000 -0.192 0.000 1.010 28 F HN -0.009 nan 8.300 nan 0.000 0.485 29 H N -0.797 118.394 119.070 0.202 0.000 2.559 29 H HA 0.074 4.630 4.556 -0.001 0.000 0.273 29 H C 1.757 177.168 175.328 0.138 0.000 1.000 29 H CA 0.420 56.531 56.048 0.105 0.000 1.195 29 H CB 0.009 29.870 29.762 0.164 0.000 1.368 29 H HN 0.293 nan 8.280 nan 0.000 0.592 30 L N 0.256 121.589 121.223 0.183 0.000 2.592 30 L HA 0.001 4.340 4.340 -0.001 0.000 0.227 30 L C 2.239 179.175 176.870 0.109 0.000 1.127 30 L CA 0.213 55.127 54.840 0.123 0.000 0.884 30 L CB 0.030 42.088 42.059 -0.001 0.000 1.065 30 L HN 0.375 nan 8.230 nan 0.000 0.457 31 E N 1.112 121.333 120.200 0.035 0.000 2.118 31 E HA -0.264 4.086 4.350 -0.001 0.000 0.195 31 E C 1.408 178.000 176.600 -0.013 0.000 0.992 31 E CA 1.617 58.014 56.400 -0.005 0.000 0.804 31 E CB 0.191 29.799 29.700 -0.153 0.000 0.741 31 E HN 0.426 nan 8.360 nan 0.000 0.458 32 N N -0.319 118.372 118.700 -0.015 0.000 2.457 32 N HA 0.007 4.746 4.740 -0.001 0.000 0.180 32 N C 1.403 176.856 175.510 -0.095 0.000 1.050 32 N CA 0.517 53.552 53.050 -0.025 0.000 0.906 32 N CB 0.187 38.684 38.487 0.017 0.000 0.968 32 N HN 0.243 nan 8.380 nan 0.000 0.445 33 L N -1.699 119.414 121.223 -0.184 0.000 2.221 33 L HA 0.228 4.567 4.340 -0.001 0.000 0.202 33 L C -0.469 175.846 176.870 -0.926 0.000 1.074 33 L CA 0.586 55.075 54.840 -0.585 0.000 0.795 33 L CB 0.145 41.773 42.059 -0.717 0.000 0.960 33 L HN -0.032 nan 8.230 nan 0.000 0.458 34 F N -0.957 118.972 119.950 -0.035 0.000 2.771 34 F HA 0.350 4.878 4.527 0.000 0.000 0.365 34 F C -1.954 173.863 175.800 0.030 0.000 1.169 34 F CA -1.839 56.156 58.000 -0.009 0.000 1.093 34 F CB 0.735 39.718 39.000 -0.027 0.000 1.363 34 F HN -0.305 nan 8.300 nan 0.000 0.496 35 P HA -0.235 nan 4.420 nan 0.000 0.216 35 P C 1.604 178.981 177.300 0.128 0.000 1.150 35 P CA 1.826 64.985 63.100 0.099 0.000 0.843 35 P CB 0.284 32.023 31.700 0.064 0.000 0.787 36 A N -0.229 122.683 122.820 0.153 0.000 2.125 36 A HA -0.064 4.255 4.320 -0.001 0.000 0.219 36 A C 2.221 179.906 177.584 0.168 0.000 1.156 36 A CA 1.606 53.723 52.037 0.133 0.000 0.671 36 A CB -1.401 17.669 19.000 0.117 0.000 0.794 36 A HN 0.203 nan 8.150 nan 0.000 0.459 37 A N 0.061 123.041 122.820 0.268 0.000 2.019 37 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 37 A C 2.123 179.878 177.584 0.285 0.000 1.164 37 A CA 1.960 54.252 52.037 0.424 0.000 0.644 37 A CB -0.388 18.901 19.000 0.481 0.000 0.805 37 A HN 0.475 nan 8.150 nan 0.000 0.449 38 R N -0.580 120.028 120.500 0.180 0.000 2.092 38 R HA -0.089 4.250 4.340 -0.001 0.000 0.231 38 R C 1.939 178.326 176.300 0.145 0.000 1.119 38 R CA 2.102 58.294 56.100 0.155 0.000 0.970 38 R CB -0.674 29.687 30.300 0.102 0.000 0.864 38 R HN 0.465 nan 8.270 nan 0.000 0.440 39 M N -0.420 119.239 119.600 0.100 0.000 2.117 39 M HA -0.063 4.416 4.480 -0.001 0.000 0.262 39 M C 1.655 177.954 176.300 -0.002 0.000 1.065 39 M CA 1.617 56.956 55.300 0.065 0.000 1.114 39 M CB -0.267 32.356 32.600 0.039 0.000 1.361 39 M HN 0.013 nan 8.290 nan 0.000 0.408 40 V N -0.512 119.343 119.914 -0.098 0.000 2.343 40 V HA -0.249 3.870 4.120 -0.001 0.000 0.247 40 V C 2.550 178.510 176.094 -0.223 0.000 1.051 40 V CA 2.064 64.167 62.300 -0.329 0.000 1.036 40 V CB -1.369 29.934 31.823 -0.866 0.000 0.654 40 V HN 0.707 nan 8.190 nan 0.000 0.451 41 S N -0.268 115.427 115.700 -0.009 0.000 2.359 41 S HA -0.250 4.219 4.470 -0.001 0.000 0.224 41 S C 1.783 176.455 174.600 0.121 0.000 1.035 41 S CA 1.970 60.255 58.200 0.141 0.000 1.018 41 S CB -0.466 62.925 63.200 0.317 0.000 0.876 41 S HN 0.649 nan 8.310 nan 0.000 0.448 42 D N 0.635 121.132 120.400 0.161 0.000 2.117 42 D HA -0.062 4.577 4.640 -0.001 0.000 0.197 42 D C 2.116 178.539 176.300 0.206 0.000 0.987 42 D CA 1.154 55.317 54.000 0.271 0.000 0.829 42 D CB -0.678 40.333 40.800 0.352 0.000 0.961 42 D HN 0.299 nan 8.370 nan 0.000 0.460 43 V N 0.963 120.931 119.914 0.089 0.000 2.295 43 V HA -0.220 3.899 4.120 -0.001 0.000 0.246 43 V C 2.654 178.767 176.094 0.032 0.000 1.049 43 V CA 1.209 63.530 62.300 0.036 0.000 1.024 43 V CB -0.486 31.321 31.823 -0.027 0.000 0.648 43 V HN 0.199 nan 8.190 nan 0.000 0.447 44 L N 0.255 121.482 121.223 0.007 0.000 2.083 44 L HA -0.099 4.240 4.340 -0.001 0.000 0.209 44 L C 2.589 179.497 176.870 0.064 0.000 1.083 44 L CA 1.691 56.545 54.840 0.024 0.000 0.752 44 L CB -1.038 41.030 42.059 0.015 0.000 0.899 44 L HN 0.482 nan 8.230 nan 0.000 0.433 45 G N 0.049 108.906 108.800 0.094 0.000 2.402 45 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.216 45 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.216 45 G C 1.588 176.577 174.900 0.149 0.000 1.162 45 G CA 0.508 45.674 45.100 0.110 0.000 0.777 45 G HN 0.264 nan 8.290 nan 0.000 0.539 46 I N 0.367 121.040 120.570 0.171 0.000 2.252 46 I HA -0.140 4.029 4.170 -0.001 0.000 0.245 46 I C 2.770 178.916 176.117 0.048 0.000 1.102 46 I CA 0.437 61.799 61.300 0.104 0.000 1.385 46 I CB -0.176 37.852 38.000 0.047 0.000 1.064 46 I HN 0.017 nan 8.210 nan 0.000 0.414 47 V N 1.036 120.969 119.914 0.031 0.000 2.295 47 V HA -0.314 3.805 4.120 -0.001 0.000 0.246 47 V C 2.724 178.814 176.094 -0.008 0.000 1.049 47 V CA 2.046 64.345 62.300 -0.002 0.000 1.024 47 V CB -1.092 30.728 31.823 -0.005 0.000 0.648 47 V HN 0.500 nan 8.190 nan 0.000 0.447 48 A N -0.371 122.462 122.820 0.021 0.000 1.883 48 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 48 A C 2.491 180.106 177.584 0.052 0.000 1.186 48 A CA 2.377 54.426 52.037 0.020 0.000 0.624 48 A CB -0.759 18.263 19.000 0.036 0.000 0.822 48 A HN 0.510 nan 8.150 nan 0.000 0.444 49 S N -0.239 115.506 115.700 0.076 0.000 2.368 49 S HA -0.019 4.450 4.470 -0.001 0.000 0.225 49 S C 2.308 177.031 174.600 0.205 0.000 1.030 49 S CA 1.154 59.444 58.200 0.150 0.000 0.999 49 S CB -0.465 62.811 63.200 0.127 0.000 0.844 49 S HN 0.800 nan 8.310 nan 0.000 0.459 50 A N 1.178 124.045 122.820 0.079 0.000 1.877 50 A HA -0.050 4.269 4.320 -0.001 0.000 0.216 50 A C 2.341 179.888 177.584 -0.061 0.000 1.186 50 A CA 1.561 53.609 52.037 0.018 0.000 0.620 50 A CB -0.946 18.039 19.000 -0.025 0.000 0.822 50 A HN 0.340 nan 8.150 nan 0.000 0.443 51 V N -1.936 117.889 119.914 -0.149 0.000 2.343 51 V HA -0.264 3.855 4.120 -0.001 0.000 0.247 51 V C 2.192 178.010 176.094 -0.461 0.000 1.051 51 V CA 1.909 63.949 62.300 -0.434 0.000 1.036 51 V CB -1.017 30.492 31.823 -0.523 0.000 0.654 51 V HN 0.872 nan 8.190 nan 0.000 0.451 52 W N 0.729 121.849 121.300 -0.299 0.000 2.335 52 W HA -0.203 4.456 4.660 -0.002 0.000 0.311 52 W C 2.173 178.690 176.519 -0.002 0.000 1.213 52 W CA 1.869 59.153 57.345 -0.102 0.000 1.274 52 W CB -0.314 29.159 29.460 0.021 0.000 1.148 52 W HN 0.187 nan 8.180 nan 0.000 0.498 53 I N 0.413 120.971 120.570 -0.020 0.000 2.151 53 I HA -0.341 3.828 4.170 -0.001 0.000 0.243 53 I C 2.467 178.460 176.117 -0.207 0.000 1.080 53 I CA 1.630 62.785 61.300 -0.241 0.000 1.339 53 I CB -0.933 37.061 38.000 -0.010 0.000 1.039 53 I HN 0.125 nan 8.210 nan 0.000 0.409 54 L N 0.187 121.331 121.223 -0.131 0.000 2.017 54 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 54 L C 2.198 179.119 176.870 0.085 0.000 1.073 54 L CA 2.005 56.820 54.840 -0.042 0.000 0.745 54 L CB -0.666 41.360 42.059 -0.054 0.000 0.894 54 L HN 0.037 nan 8.230 nan 0.000 0.432 55 F N -0.552 119.248 119.950 -0.250 0.000 2.206 55 F HA -0.112 4.414 4.527 -0.001 0.000 0.298 55 F C 2.499 178.214 175.800 -0.142 0.000 1.090 55 F CA 0.436 58.212 58.000 -0.373 0.000 1.323 55 F CB -0.892 37.568 39.000 -0.900 0.000 1.028 55 F HN 0.042 nan 8.300 nan 0.000 0.492 56 I N -0.065 120.515 120.570 0.017 0.000 2.163 56 I HA -0.290 3.879 4.170 -0.001 0.000 0.243 56 I C 2.485 178.636 176.117 0.056 0.000 1.085 56 I CA 1.352 62.658 61.300 0.010 0.000 1.347 56 I CB -1.249 36.455 38.000 -0.494 0.000 1.044 56 I HN 0.135 nan 8.210 nan 0.000 0.408 57 L N -0.461 120.754 121.223 -0.012 0.000 2.046 57 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 57 L C 2.697 179.612 176.870 0.075 0.000 1.077 57 L CA 1.273 56.128 54.840 0.026 0.000 0.747 57 L CB -0.444 41.612 42.059 -0.005 0.000 0.896 57 L HN 0.209 nan 8.230 nan 0.000 0.432 58 M N -1.858 117.771 119.600 0.049 0.000 2.175 58 M HA -0.238 4.241 4.480 -0.001 0.000 0.264 58 M C 2.302 178.651 176.300 0.082 0.000 1.063 58 M CA 1.822 57.111 55.300 -0.018 0.000 1.119 58 M CB -0.420 32.104 32.600 -0.128 0.000 1.377 58 M HN 0.147 nan 8.290 nan 0.000 0.415 59 Y N 0.668 121.016 120.300 0.079 0.000 2.314 59 Y HA -0.072 4.477 4.550 -0.002 0.000 0.293 59 Y C 2.445 178.415 175.900 0.117 0.000 1.129 59 Y CA 1.228 59.406 58.100 0.130 0.000 1.201 59 Y CB -0.205 38.400 38.460 0.242 0.000 0.999 59 Y HN 0.168 nan 8.280 nan 0.000 0.541 60 A N -0.599 122.344 122.820 0.205 0.000 1.908 60 A HA -0.293 4.026 4.320 -0.001 0.000 0.218 60 A C 2.072 179.704 177.584 0.079 0.000 1.181 60 A CA 1.903 54.010 52.037 0.115 0.000 0.627 60 A CB -1.514 17.543 19.000 0.094 0.000 0.818 60 A HN 0.678 nan 8.150 nan 0.000 0.445 61 Y N 0.372 120.678 120.300 0.010 0.000 2.181 61 Y HA -0.224 4.325 4.550 -0.001 0.000 0.288 61 Y C 2.452 178.410 175.900 0.098 0.000 1.146 61 Y CA 2.381 60.528 58.100 0.078 0.000 1.164 61 Y CB -0.136 38.370 38.460 0.075 0.000 0.982 61 Y HN 0.317 nan 8.280 nan 0.000 0.515 62 K N 0.116 120.612 120.400 0.160 0.000 2.057 62 K HA -0.196 4.123 4.320 -0.001 0.000 0.207 62 K C 1.978 178.566 176.600 -0.019 0.000 1.049 62 K CA 1.786 58.109 56.287 0.061 0.000 0.931 62 K CB -0.371 31.939 32.500 -0.317 0.000 0.714 62 K HN 0.404 nan 8.250 nan 0.000 0.440 63 L N 0.389 121.544 121.223 -0.112 0.000 2.083 63 L HA -0.162 4.177 4.340 -0.001 0.000 0.209 63 L C 2.682 179.553 176.870 0.002 0.000 1.083 63 L CA 1.004 55.866 54.840 0.037 0.000 0.752 63 L CB -0.274 41.821 42.059 0.060 0.000 0.899 63 L HN 0.137 nan 8.230 nan 0.000 0.433 64 R N -0.679 119.685 120.500 -0.228 0.000 2.093 64 R HA -0.113 4.227 4.340 -0.001 0.000 0.224 64 R C 1.456 177.340 176.300 -0.695 0.000 1.101 64 R CA 1.691 57.454 56.100 -0.562 0.000 0.979 64 R CB -0.230 29.543 30.300 -0.879 0.000 0.877 64 R HN 0.291 nan 8.270 nan 0.000 0.441 65 Y N -2.566 117.569 120.300 -0.275 0.000 2.426 65 Y HA 0.281 4.830 4.550 -0.002 0.000 0.249 65 Y C -0.084 175.527 175.900 -0.481 0.000 1.103 65 Y CA -0.266 57.570 58.100 -0.440 0.000 1.256 65 Y CB 0.560 38.572 38.460 -0.746 0.000 1.208 65 Y HN -0.060 nan 8.280 nan 0.000 0.519 66 Y N -1.766 118.560 120.300 0.044 0.000 2.629 66 Y HA 0.165 4.714 4.550 -0.001 0.000 0.282 66 Y C 1.056 176.970 175.900 0.024 0.000 0.994 66 Y CA -1.148 56.975 58.100 0.039 0.000 1.126 66 Y CB -0.410 38.059 38.460 0.014 0.000 1.187 66 Y HN 0.019 nan 8.280 nan 0.000 0.600 67 F N 1.398 121.357 119.950 0.015 0.000 2.161 67 F HA -0.181 4.345 4.527 -0.001 0.000 0.300 67 F C 1.930 177.751 175.800 0.035 0.000 1.089 67 F CA 1.833 59.827 58.000 -0.010 0.000 1.282 67 F CB 0.318 39.286 39.000 -0.053 0.000 1.010 67 F HN 0.098 nan 8.300 nan 0.000 0.485 68 E N 0.516 120.757 120.200 0.068 0.000 2.204 68 E HA -0.210 4.140 4.350 -0.001 0.000 0.195 68 E C 2.036 178.615 176.600 -0.034 0.000 0.990 68 E CA 1.389 57.793 56.400 0.007 0.000 0.821 68 E CB -0.410 29.345 29.700 0.091 0.000 0.750 68 E HN 0.640 nan 8.360 nan 0.000 0.477 69 E N 0.271 120.473 120.200 0.002 0.000 2.072 69 E HA -0.094 4.256 4.350 -0.001 0.000 0.190 69 E C 2.226 178.797 176.600 -0.047 0.000 0.982 69 E CA 0.906 57.312 56.400 0.010 0.000 0.803 69 E CB 0.069 29.796 29.700 0.045 0.000 0.755 69 E HN 0.029 nan 8.360 nan 0.000 0.453 70 V N 1.403 121.218 119.914 -0.164 0.000 2.295 70 V HA -0.262 3.857 4.120 -0.001 0.000 0.246 70 V C 2.444 178.407 176.094 -0.218 0.000 1.049 70 V CA 1.828 64.015 62.300 -0.190 0.000 1.024 70 V CB -0.538 31.090 31.823 -0.324 0.000 0.648 70 V HN 0.214 nan 8.190 nan 0.000 0.447 71 R N 0.238 120.466 120.500 -0.454 0.000 2.091 71 R HA -0.205 4.134 4.340 -0.001 0.000 0.238 71 R C 2.296 178.620 176.300 0.040 0.000 1.136 71 R CA 1.840 57.781 56.100 -0.266 0.000 0.959 71 R CB -0.445 29.722 30.300 -0.223 0.000 0.856 71 R HN 0.503 nan 8.270 nan 0.000 0.437 72 A N 0.896 123.752 122.820 0.060 0.000 1.930 72 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 72 A C 1.889 179.567 177.584 0.157 0.000 1.175 72 A CA 1.510 53.628 52.037 0.136 0.000 0.627 72 A CB -0.351 18.709 19.000 0.100 0.000 0.815 72 A HN 0.501 nan 8.150 nan 0.000 0.443 73 E N -1.596 118.689 120.200 0.142 0.000 2.077 73 E HA -0.215 4.135 4.350 -0.001 0.000 0.193 73 E C 1.886 178.635 176.600 0.248 0.000 0.989 73 E CA 1.461 57.981 56.400 0.199 0.000 0.800 73 E CB -0.355 29.476 29.700 0.218 0.000 0.746 73 E HN 0.785 nan 8.360 nan 0.000 0.452 74 Y N 1.179 121.527 120.300 0.080 0.000 2.128 74 Y HA -0.262 4.287 4.550 -0.002 0.000 0.284 74 Y C 2.155 178.043 175.900 -0.019 0.000 1.154 74 Y CA 1.838 59.965 58.100 0.046 0.000 1.149 74 Y CB -0.048 38.319 38.460 -0.154 0.000 0.976 74 Y HN 0.131 nan 8.280 nan 0.000 0.505 75 H N -0.918 118.239 119.070 0.145 0.000 2.535 75 H HA 0.092 4.648 4.556 -0.001 0.000 0.273 75 H C 1.028 176.352 175.328 -0.007 0.000 0.983 75 H CA 0.817 56.872 56.048 0.011 0.000 1.238 75 H CB -0.316 29.507 29.762 0.102 0.000 1.412 75 H HN 0.144 nan 8.280 nan 0.000 0.562 76 S N 3.040 118.845 115.700 0.175 0.000 2.537 76 S HA 0.013 4.483 4.470 -0.001 0.000 0.286 76 S C -1.230 173.489 174.600 0.199 0.000 1.299 76 S CA -1.216 57.080 58.200 0.160 0.000 1.067 76 S CB 1.041 64.348 63.200 0.178 0.000 0.864 76 S HN 0.147 nan 8.310 nan 0.000 0.494 77 P HA 0.024 nan 4.420 nan 0.000 0.237 77 P C 0.962 178.470 177.300 0.346 0.000 1.178 77 P CA 0.386 63.621 63.100 0.226 0.000 0.766 77 P CB 0.168 31.944 31.700 0.126 0.000 0.876 78 V N 0.277 120.287 119.914 0.161 0.000 2.743 78 V HA 0.110 4.229 4.120 -0.001 0.000 0.237 78 V C 2.552 178.690 176.094 0.075 0.000 1.113 78 V CA 0.799 63.104 62.300 0.008 0.000 1.141 78 V CB -0.569 31.098 31.823 -0.259 0.000 0.873 78 V HN -0.039 nan 8.190 nan 0.000 0.486 79 R N 0.598 121.218 120.500 0.201 0.000 2.235 79 R HA -0.062 4.277 4.340 -0.001 0.000 0.213 79 R C 2.244 178.708 176.300 0.274 0.000 1.059 79 R CA 1.440 57.734 56.100 0.322 0.000 0.997 79 R CB -0.452 30.023 30.300 0.290 0.000 0.884 79 R HN 0.720 nan 8.270 nan 0.000 0.462 80 F N 0.218 120.242 119.950 0.124 0.000 2.202 80 F HA -0.082 4.444 4.527 -0.001 0.000 0.301 80 F C 1.932 177.848 175.800 0.193 0.000 1.082 80 F CA 0.859 58.938 58.000 0.131 0.000 1.313 80 F CB -0.545 38.409 39.000 -0.075 0.000 1.024 80 F HN -0.227 nan 8.300 nan 0.000 0.495 81 S N 0.753 115.824 115.700 -1.048 0.000 2.400 81 S HA -0.132 4.337 4.470 -0.001 0.000 0.232 81 S C 1.564 175.844 174.600 -0.532 0.000 1.025 81 S CA 1.460 59.045 58.200 -1.026 0.000 0.993 81 S CB -0.749 61.774 63.200 -1.128 0.000 0.808 81 S HN 0.442 nan 8.310 nan 0.000 0.478 82 F N 1.387 121.237 119.950 -0.167 0.000 2.365 82 F HA 0.082 4.608 4.527 -0.001 0.000 0.300 82 F C 1.863 177.558 175.800 -0.175 0.000 1.090 82 F CA 0.256 58.194 58.000 -0.103 0.000 1.408 82 F CB -0.704 38.288 39.000 -0.013 0.000 1.060 82 F HN 0.165 nan 8.300 nan 0.000 0.534 83 I N 0.057 120.591 120.570 -0.060 0.000 2.423 83 I HA -0.317 3.852 4.170 -0.001 0.000 0.254 83 I C 2.550 178.306 176.117 -0.602 0.000 1.151 83 I CA 1.070 62.170 61.300 -0.332 0.000 1.421 83 I CB -0.703 37.134 38.000 -0.273 0.000 1.079 83 I HN 0.119 nan 8.210 nan 0.000 0.431 84 A N 0.800 123.292 122.820 -0.547 0.000 2.070 84 A HA -0.126 4.193 4.320 -0.001 0.000 0.220 84 A C 2.247 179.632 177.584 -0.332 0.000 1.159 84 A CA 1.106 52.868 52.037 -0.458 0.000 0.656 84 A CB -0.711 18.151 19.000 -0.229 0.000 0.800 84 A HN 0.431 nan 8.150 nan 0.000 0.453 85 L N -0.723 120.330 121.223 -0.283 0.000 2.191 85 L HA -0.196 4.143 4.340 -0.001 0.000 0.212 85 L C 2.313 178.979 176.870 -0.341 0.000 1.103 85 L CA 0.973 55.682 54.840 -0.218 0.000 0.769 85 L CB -0.525 41.509 42.059 -0.043 0.000 0.908 85 L HN 0.422 nan 8.230 nan 0.000 0.438 86 I N 0.144 120.359 120.570 -0.592 0.000 2.133 86 I HA -0.163 4.007 4.170 -0.001 0.000 0.238 86 I C -0.199 175.753 176.117 -0.274 0.000 1.074 86 I CA 1.258 62.129 61.300 -0.716 0.000 1.342 86 I CB -1.504 35.951 38.000 -0.909 0.000 1.053 86 I HN 0.198 nan 8.210 nan 0.000 0.404 87 P HA -0.117 nan 4.420 nan 0.000 0.219 87 P C 1.891 179.118 177.300 -0.121 0.000 1.150 87 P CA 1.568 64.590 63.100 -0.130 0.000 0.814 87 P CB -0.043 31.577 31.700 -0.133 0.000 0.787 88 I N -0.008 120.469 120.570 -0.155 0.000 2.127 88 I HA -0.225 3.944 4.170 -0.001 0.000 0.241 88 I C 2.312 178.343 176.117 -0.143 0.000 1.075 88 I CA 1.942 63.152 61.300 -0.151 0.000 1.334 88 I CB -1.389 36.493 38.000 -0.198 0.000 1.040 88 I HN -0.016 nan 8.210 nan 0.000 0.405 89 T N -0.130 114.366 114.554 -0.096 0.000 2.788 89 T HA -0.160 4.189 4.350 -0.001 0.000 0.268 89 T C 1.888 176.445 174.700 -0.239 0.000 1.044 89 T CA 1.925 63.994 62.100 -0.051 0.000 1.139 89 T CB -0.404 68.618 68.868 0.257 0.000 0.867 89 T HN 0.373 nan 8.240 nan 0.000 0.454 90 T N 2.322 116.806 114.554 -0.116 0.000 2.720 90 T HA -0.046 4.303 4.350 -0.001 0.000 0.268 90 T C 2.042 176.553 174.700 -0.313 0.000 1.037 90 T CA 1.194 63.153 62.100 -0.237 0.000 1.144 90 T CB -0.349 68.599 68.868 0.134 0.000 0.864 90 T HN 0.350 nan 8.240 nan 0.000 0.444 91 M N 0.353 119.829 119.600 -0.207 0.000 2.132 91 M HA 0.018 4.497 4.480 -0.001 0.000 0.263 91 M C 2.255 178.424 176.300 -0.218 0.000 1.065 91 M CA 1.460 56.637 55.300 -0.205 0.000 1.122 91 M CB -0.531 31.960 32.600 -0.181 0.000 1.365 91 M HN 0.189 nan 8.290 nan 0.000 0.411 92 L N -0.562 120.539 121.223 -0.202 0.000 2.083 92 L HA -0.167 4.172 4.340 -0.001 0.000 0.209 92 L C 2.433 179.165 176.870 -0.230 0.000 1.083 92 L CA 0.889 55.629 54.840 -0.165 0.000 0.752 92 L CB -0.722 41.281 42.059 -0.094 0.000 0.899 92 L HN 0.157 nan 8.230 nan 0.000 0.433 93 V N 0.353 120.042 119.914 -0.376 0.000 2.407 93 V HA -0.218 3.901 4.120 -0.001 0.000 0.248 93 V C 2.658 178.564 176.094 -0.315 0.000 1.055 93 V CA 1.967 64.002 62.300 -0.442 0.000 1.049 93 V CB -1.203 30.058 31.823 -0.936 0.000 0.662 93 V HN 0.572 nan 8.190 nan 0.000 0.455 94 G N -0.234 108.386 108.800 -0.301 0.000 2.446 94 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.217 94 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.217 94 G C 1.188 176.012 174.900 -0.126 0.000 1.168 94 G CA 1.165 46.160 45.100 -0.173 0.000 0.771 94 G HN 0.514 nan 8.290 nan 0.000 0.551 95 D N 0.473 120.769 120.400 -0.173 0.000 2.123 95 D HA -0.083 4.556 4.640 -0.001 0.000 0.196 95 D C 2.478 178.641 176.300 -0.229 0.000 0.992 95 D CA 0.503 54.390 54.000 -0.189 0.000 0.833 95 D CB -0.185 40.504 40.800 -0.186 0.000 0.954 95 D HN 0.389 nan 8.370 nan 0.000 0.455 96 I N 0.265 120.694 120.570 -0.236 0.000 2.142 96 I HA -0.236 3.933 4.170 -0.001 0.000 0.240 96 I C 2.229 178.156 176.117 -0.317 0.000 1.078 96 I CA 0.853 61.968 61.300 -0.307 0.000 1.343 96 I CB -0.173 37.721 38.000 -0.176 0.000 1.046 96 I HN 0.018 nan 8.210 nan 0.000 0.405 97 L N -0.762 120.395 121.223 -0.110 0.000 2.275 97 L HA -0.233 4.106 4.340 -0.001 0.000 0.215 97 L C 2.548 179.412 176.870 -0.010 0.000 1.119 97 L CA 1.004 55.874 54.840 0.050 0.000 0.790 97 L CB -0.713 41.402 42.059 0.094 0.000 0.919 97 L HN 0.289 nan 8.230 nan 0.000 0.443 98 Y N 1.888 122.078 120.300 -0.183 0.000 2.241 98 Y HA -0.317 4.232 4.550 -0.002 0.000 0.286 98 Y C 2.792 178.574 175.900 -0.196 0.000 1.166 98 Y CA 1.857 59.864 58.100 -0.155 0.000 1.203 98 Y CB -0.160 38.198 38.460 -0.171 0.000 0.977 98 Y HN 0.210 nan 8.280 nan 0.000 0.529 99 R N -1.518 118.796 120.500 -0.310 0.000 2.189 99 R HA -0.155 4.185 4.340 -0.001 0.000 0.223 99 R C 1.297 177.367 176.300 -0.384 0.000 1.092 99 R CA 1.547 57.393 56.100 -0.424 0.000 0.989 99 R CB -0.720 29.126 30.300 -0.757 0.000 0.876 99 R HN 0.378 nan 8.270 nan 0.000 0.457 100 W N -0.034 121.232 121.300 -0.057 0.000 2.893 100 W HA 0.313 4.971 4.660 -0.003 0.000 0.253 100 W C 0.330 176.802 176.519 -0.079 0.000 1.171 100 W CA -0.417 56.900 57.345 -0.047 0.000 1.480 100 W CB 0.089 29.533 29.460 -0.026 0.000 0.963 100 W HN 0.034 nan 8.180 nan 0.000 0.637 101 N N 0.277 119.028 118.700 0.085 0.000 2.732 101 N HA 0.164 4.903 4.740 -0.001 0.000 0.247 101 N C -2.480 172.972 175.510 -0.096 0.000 1.305 101 N CA -1.263 51.794 53.050 0.011 0.000 0.762 101 N CB 1.562 40.096 38.487 0.078 0.000 1.361 101 N HN -0.330 nan 8.380 nan 0.000 0.545 102 P HA -0.025 nan 4.420 nan 0.000 0.221 102 P C 1.564 178.840 177.300 -0.041 0.000 1.145 102 P CA 0.764 63.628 63.100 -0.392 0.000 0.795 102 P CB 0.591 31.928 31.700 -0.604 0.000 0.775 103 L N -1.493 119.728 121.223 -0.003 0.000 2.044 103 L HA -0.103 4.236 4.340 -0.001 0.000 0.205 103 L C 2.388 179.311 176.870 0.088 0.000 1.075 103 L CA 1.380 56.258 54.840 0.063 0.000 0.747 103 L CB -0.808 41.282 42.059 0.051 0.000 0.903 103 L HN -0.060 nan 8.230 nan 0.000 0.435 104 I N 0.174 120.787 120.570 0.072 0.000 2.252 104 I HA -0.248 3.921 4.170 -0.001 0.000 0.245 104 I C 2.854 179.022 176.117 0.084 0.000 1.102 104 I CA 1.030 62.381 61.300 0.084 0.000 1.385 104 I CB -0.438 37.611 38.000 0.081 0.000 1.064 104 I HN 0.185 nan 8.210 nan 0.000 0.414 105 A N 0.621 123.489 122.820 0.081 0.000 1.883 105 A HA -0.297 4.022 4.320 -0.001 0.000 0.217 105 A C 2.297 179.931 177.584 0.083 0.000 1.186 105 A CA 2.191 54.278 52.037 0.084 0.000 0.624 105 A CB -0.706 18.402 19.000 0.179 0.000 0.822 105 A HN 0.510 nan 8.150 nan 0.000 0.444 106 E N -0.302 119.986 120.200 0.146 0.000 2.110 106 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 106 E C 1.821 178.545 176.600 0.206 0.000 0.988 106 E CA 1.382 57.877 56.400 0.157 0.000 0.804 106 E CB -0.172 29.695 29.700 0.278 0.000 0.745 106 E HN 0.306 nan 8.360 nan 0.000 0.458 107 V N 1.293 121.327 119.914 0.199 0.000 2.287 107 V HA -0.291 3.828 4.120 -0.001 0.000 0.248 107 V C 2.464 178.650 176.094 0.153 0.000 1.053 107 V CA 1.730 64.152 62.300 0.202 0.000 1.027 107 V CB -0.510 31.403 31.823 0.150 0.000 0.646 107 V HN 0.372 nan 8.190 nan 0.000 0.447 108 L N -0.824 120.449 121.223 0.083 0.000 2.083 108 L HA -0.182 4.157 4.340 -0.001 0.000 0.209 108 L C 2.377 179.227 176.870 -0.033 0.000 1.083 108 L CA 1.632 56.492 54.840 0.032 0.000 0.752 108 L CB -0.510 41.521 42.059 -0.047 0.000 0.899 108 L HN 0.281 nan 8.230 nan 0.000 0.433 109 I N -1.480 119.026 120.570 -0.106 0.000 2.226 109 I HA -0.286 3.883 4.170 -0.001 0.000 0.245 109 I C 2.262 178.209 176.117 -0.282 0.000 1.100 109 I CA 1.733 62.875 61.300 -0.264 0.000 1.374 109 I CB -0.262 37.497 38.000 -0.402 0.000 1.057 109 I HN 0.296 nan 8.210 nan 0.000 0.413 110 W N 0.699 121.968 121.300 -0.052 0.000 2.388 110 W HA -0.082 4.578 4.660 -0.001 0.000 0.294 110 W C 2.420 178.916 176.519 -0.037 0.000 1.212 110 W CA 0.460 57.770 57.345 -0.058 0.000 1.271 110 W CB -0.239 29.198 29.460 -0.038 0.000 1.126 110 W HN 0.003 nan 8.180 nan 0.000 0.535 111 I N 0.143 120.836 120.570 0.204 0.000 2.179 111 I HA -0.224 3.945 4.170 -0.001 0.000 0.242 111 I C 2.676 178.838 176.117 0.075 0.000 1.088 111 I CA 1.674 63.054 61.300 0.134 0.000 1.357 111 I CB -1.113 36.962 38.000 0.124 0.000 1.051 111 I HN 0.078 nan 8.210 nan 0.000 0.409 112 G N -0.313 108.499 108.800 0.020 0.000 2.408 112 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.217 112 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.217 112 G C 1.660 176.526 174.900 -0.056 0.000 1.150 112 G CA 1.256 46.335 45.100 -0.034 0.000 0.776 112 G HN 0.271 nan 8.290 nan 0.000 0.542 113 T N 1.232 115.737 114.554 -0.082 0.000 2.770 113 T HA 0.007 4.356 4.350 -0.001 0.000 0.263 113 T C 2.421 177.145 174.700 0.039 0.000 1.039 113 T CA 0.849 62.869 62.100 -0.133 0.000 1.142 113 T CB -0.141 68.556 68.868 -0.286 0.000 0.868 113 T HN 0.229 nan 8.240 nan 0.000 0.435 114 I N 1.225 121.872 120.570 0.128 0.000 2.179 114 I HA -0.108 4.061 4.170 -0.001 0.000 0.242 114 I C 2.885 179.072 176.117 0.117 0.000 1.088 114 I CA 1.308 62.698 61.300 0.149 0.000 1.357 114 I CB -0.795 37.293 38.000 0.146 0.000 1.051 114 I HN 0.308 nan 8.210 nan 0.000 0.409 115 G N 1.104 109.957 108.800 0.088 0.000 2.446 115 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.217 115 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.217 115 G C 1.526 176.488 174.900 0.104 0.000 1.168 115 G CA 1.218 46.365 45.100 0.078 0.000 0.771 115 G HN 0.532 nan 8.290 nan 0.000 0.551 116 Q N -0.025 119.817 119.800 0.069 0.000 2.119 116 Q HA 0.061 4.401 4.340 -0.001 0.000 0.201 116 Q C 2.286 178.393 176.000 0.179 0.000 0.972 116 Q CA 1.409 57.273 55.803 0.102 0.000 0.847 116 Q CB -0.711 28.041 28.738 0.023 0.000 0.903 116 Q HN 0.363 nan 8.270 nan 0.000 0.433 117 L N -0.102 121.224 121.223 0.171 0.000 2.046 117 L HA -0.027 4.313 4.340 -0.001 0.000 0.208 117 L C 2.095 179.045 176.870 0.132 0.000 1.077 117 L CA 1.591 56.542 54.840 0.185 0.000 0.747 117 L CB -0.871 41.344 42.059 0.260 0.000 0.896 117 L HN 0.455 nan 8.230 nan 0.000 0.432 118 L N -1.280 120.027 121.223 0.140 0.000 2.046 118 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 118 L C 2.317 179.271 176.870 0.141 0.000 1.077 118 L CA 1.834 56.743 54.840 0.116 0.000 0.747 118 L CB -0.964 41.168 42.059 0.120 0.000 0.896 118 L HN 0.352 nan 8.230 nan 0.000 0.432 119 F N -0.507 119.473 119.950 0.050 0.000 2.102 119 F HA -0.227 4.300 4.527 -0.001 0.000 0.298 119 F C 2.836 178.654 175.800 0.031 0.000 1.105 119 F CA 1.917 59.961 58.000 0.074 0.000 1.239 119 F CB -0.758 38.284 39.000 0.070 0.000 0.991 119 F HN 0.227 nan 8.300 nan 0.000 0.474 120 S N -1.060 114.650 115.700 0.017 0.000 2.383 120 S HA -0.163 4.306 4.470 -0.001 0.000 0.227 120 S C 2.028 176.507 174.600 -0.202 0.000 1.026 120 S CA 1.848 59.967 58.200 -0.136 0.000 0.981 120 S CB -0.720 62.461 63.200 -0.032 0.000 0.818 120 S HN 0.519 nan 8.310 nan 0.000 0.472 121 T N 2.650 117.133 114.554 -0.119 0.000 2.759 121 T HA 0.009 4.359 4.350 -0.001 0.000 0.269 121 T C 1.667 176.259 174.700 -0.180 0.000 1.042 121 T CA 1.444 63.458 62.100 -0.143 0.000 1.140 121 T CB -0.310 68.517 68.868 -0.069 0.000 0.864 121 T HN 0.319 nan 8.240 nan 0.000 0.455 122 L N -0.226 120.903 121.223 -0.156 0.000 2.068 122 L HA 0.066 4.405 4.340 -0.001 0.000 0.204 122 L C 2.789 179.496 176.870 -0.272 0.000 1.076 122 L CA 1.129 55.884 54.840 -0.142 0.000 0.753 122 L CB -0.207 41.839 42.059 -0.021 0.000 0.910 122 L HN 0.063 nan 8.230 nan 0.000 0.439 123 R N -0.747 119.470 120.500 -0.471 0.000 2.123 123 R HA 0.035 4.374 4.340 -0.001 0.000 0.209 123 R C 1.961 177.845 176.300 -0.694 0.000 1.078 123 R CA 0.716 56.388 56.100 -0.713 0.000 1.028 123 R CB -0.363 29.231 30.300 -1.176 0.000 0.939 123 R HN -0.013 nan 8.270 nan 0.000 0.463 124 V N 1.039 120.624 119.914 -0.547 0.000 2.358 124 V HA -0.221 3.898 4.120 -0.001 0.000 0.246 124 V C 2.205 178.002 176.094 -0.495 0.000 1.047 124 V CA 2.097 64.162 62.300 -0.391 0.000 1.035 124 V CB -0.554 31.111 31.823 -0.263 0.000 0.658 124 V HN 0.587 nan 8.190 nan 0.000 0.452 125 S N -0.054 115.284 115.700 -0.604 0.000 2.383 125 S HA -0.265 4.204 4.470 -0.001 0.000 0.227 125 S C 1.933 176.190 174.600 -0.572 0.000 1.026 125 S CA 1.633 59.306 58.200 -0.879 0.000 0.981 125 S CB -0.507 62.289 63.200 -0.674 0.000 0.818 125 S HN 0.709 nan 8.310 nan 0.000 0.472 126 E N 1.289 121.259 120.200 -0.383 0.000 2.160 126 E HA -0.127 4.222 4.350 -0.001 0.000 0.195 126 E C 1.900 178.403 176.600 -0.161 0.000 0.991 126 E CA 1.187 57.446 56.400 -0.235 0.000 0.810 126 E CB -0.399 29.165 29.700 -0.228 0.000 0.742 126 E HN 0.651 nan 8.360 nan 0.000 0.466 127 L N -0.361 120.744 121.223 -0.197 0.000 2.127 127 L HA -0.186 4.154 4.340 -0.001 0.000 0.211 127 L C 1.915 178.842 176.870 0.095 0.000 1.089 127 L CA 0.785 55.589 54.840 -0.059 0.000 0.757 127 L CB -0.518 41.493 42.059 -0.081 0.000 0.899 127 L HN 0.337 nan 8.230 nan 0.000 0.434 128 W N 0.583 121.810 121.300 -0.123 0.000 2.721 128 W HA -0.076 4.583 4.660 -0.002 0.000 0.245 128 W C 2.333 178.811 176.519 -0.069 0.000 1.276 128 W CA 0.155 57.440 57.345 -0.099 0.000 1.342 128 W CB -0.935 28.478 29.460 -0.079 0.000 1.135 128 W HN 0.347 nan 8.180 nan 0.000 0.654 129 Q N -0.047 119.834 119.800 0.136 0.000 2.436 129 Q HA 0.221 4.560 4.340 -0.001 0.000 0.209 129 Q C 1.307 177.339 176.000 0.055 0.000 0.965 129 Q CA 0.852 56.698 55.803 0.073 0.000 0.910 129 Q CB -0.174 28.583 28.738 0.031 0.000 0.980 129 Q HN 0.132 nan 8.270 nan 0.000 0.491 130 G N -0.914 107.922 108.800 0.061 0.000 2.758 130 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.686 130 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.686 130 G C 0.484 175.416 174.900 0.053 0.000 1.389 130 G CA -0.398 44.734 45.100 0.053 0.000 0.845 130 G HN 0.634 nan 8.290 nan 0.000 0.572 131 G N -2.203 106.634 108.800 0.062 0.000 2.199 131 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.254 131 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.254 131 G C 1.200 176.130 174.900 0.051 0.000 0.982 131 G CA 1.513 46.641 45.100 0.048 0.000 0.632 131 G HN 1.926 nan 8.290 nan 0.000 0.529 132 V N -0.324 119.635 119.914 0.076 0.000 2.870 132 V HA 0.460 4.579 4.120 -0.001 0.000 0.232 132 V C 1.295 177.448 176.094 0.099 0.000 1.161 132 V CA 0.689 63.029 62.300 0.067 0.000 1.204 132 V CB -0.486 31.367 31.823 0.050 0.000 1.003 132 V HN 0.351 nan 8.190 nan 0.000 0.499 133 F N 2.168 122.108 119.950 -0.017 0.000 2.607 133 F HA 0.184 4.710 4.527 -0.001 0.000 0.374 133 F C 0.581 176.364 175.800 -0.027 0.000 1.104 133 F CA 0.542 58.531 58.000 -0.019 0.000 1.296 133 F CB 0.262 39.258 39.000 -0.005 0.000 1.085 133 F HN 0.239 nan 8.300 nan 0.000 0.584 134 E N 2.897 122.932 120.200 -0.275 0.000 2.355 134 E HA 0.097 4.446 4.350 -0.001 0.000 0.261 134 E C 0.129 176.567 176.600 -0.270 0.000 0.943 134 E CA -0.878 55.438 56.400 -0.140 0.000 0.806 134 E CB 1.466 31.091 29.700 -0.125 0.000 1.286 134 E HN 0.589 nan 8.360 nan 0.000 0.424 135 Q N 1.653 121.390 119.800 -0.104 0.000 2.112 135 Q HA -0.226 4.113 4.340 -0.001 0.000 0.206 135 Q C 1.695 177.479 176.000 -0.360 0.000 0.987 135 Q CA 2.254 57.975 55.803 -0.137 0.000 0.858 135 Q CB -0.139 28.591 28.738 -0.013 0.000 0.905 135 Q HN 0.492 nan 8.270 nan 0.000 0.420 136 K N -1.117 119.150 120.400 -0.222 0.000 2.515 136 K HA 0.035 4.354 4.320 -0.001 0.000 0.196 136 K C 1.261 177.646 176.600 -0.359 0.000 1.038 136 K CA 1.252 57.445 56.287 -0.156 0.000 0.967 136 K CB 0.016 32.507 32.500 -0.016 0.000 0.780 136 K HN -0.016 nan 8.250 nan 0.000 0.483 137 S N 0.939 116.241 115.700 -0.663 0.000 2.603 137 S HA -0.005 4.465 4.470 -0.001 0.000 0.220 137 S C 0.092 174.281 174.600 -0.686 0.000 0.967 137 S CA 0.260 57.912 58.200 -0.913 0.000 0.920 137 S CB 0.153 62.452 63.200 -1.501 0.000 0.773 137 S HN 0.316 nan 8.310 nan 0.000 0.529 138 T N 3.178 117.468 114.554 -0.441 0.000 3.455 138 T HA 0.189 4.538 4.350 -0.001 0.000 0.286 138 T C -0.216 174.632 174.700 0.248 0.000 1.157 138 T CA 0.132 62.208 62.100 -0.041 0.000 1.090 138 T CB -0.307 68.389 68.868 -0.286 0.000 1.112 138 T HN 0.412 nan 8.240 nan 0.000 0.779 139 H N 2.062 121.205 119.070 0.121 0.000 2.621 139 H HA 0.199 4.755 4.556 -0.001 0.000 0.360 139 H C -1.721 173.698 175.328 0.152 0.000 1.163 139 H CA -2.767 53.343 56.048 0.102 0.000 1.194 139 H CB 2.390 32.141 29.762 -0.018 0.000 1.649 139 H HN 0.116 nan 8.280 nan 0.000 0.532 140 P HA -0.205 nan 4.420 nan 0.000 0.218 140 P C 1.438 178.794 177.300 0.093 0.000 1.146 140 P CA 1.576 64.771 63.100 0.158 0.000 0.813 140 P CB 0.160 31.996 31.700 0.226 0.000 0.778 141 S N -1.475 114.255 115.700 0.051 0.000 2.440 141 S HA -0.208 4.261 4.470 -0.001 0.000 0.238 141 S C 1.786 176.220 174.600 -0.277 0.000 1.010 141 S CA 0.676 58.754 58.200 -0.205 0.000 0.972 141 S CB -1.839 61.018 63.200 -0.572 0.000 0.774 141 S HN 0.095 nan 8.310 nan 0.000 0.501 142 F N 1.904 121.633 119.950 -0.368 0.000 2.250 142 F HA -0.115 4.411 4.527 -0.002 0.000 0.301 142 F C 1.818 177.385 175.800 -0.389 0.000 1.077 142 F CA 1.044 58.744 58.000 -0.500 0.000 1.348 142 F CB -0.454 38.083 39.000 -0.771 0.000 1.040 142 F HN 0.100 nan 8.300 nan 0.000 0.509 143 Y N 0.362 120.611 120.300 -0.085 0.000 2.384 143 Y HA -0.220 4.329 4.550 -0.002 0.000 0.289 143 Y C 2.178 177.981 175.900 -0.163 0.000 1.152 143 Y CA 1.013 59.072 58.100 -0.069 0.000 1.258 143 Y CB -1.095 37.418 38.460 0.089 0.000 0.979 143 Y HN 0.131 nan 8.280 nan 0.000 0.549 144 L N 0.278 121.455 121.223 -0.076 0.000 1.976 144 L HA -0.170 4.169 4.340 -0.001 0.000 0.209 144 L C -0.107 176.670 176.870 -0.155 0.000 1.071 144 L CA 1.489 56.262 54.840 -0.111 0.000 0.746 144 L CB -1.905 40.035 42.059 -0.199 0.000 0.890 144 L HN 0.128 nan 8.230 nan 0.000 0.432 145 P HA -0.056 nan 4.420 nan 0.000 0.221 145 P C 1.164 178.350 177.300 -0.190 0.000 1.155 145 P CA 1.546 64.571 63.100 -0.125 0.000 0.812 145 P CB 0.177 31.869 31.700 -0.013 0.000 0.801 146 A N -0.769 121.828 122.820 -0.371 0.000 2.021 146 A HA 0.111 4.430 4.320 -0.001 0.000 0.216 146 A C 2.076 179.555 177.584 -0.174 0.000 1.163 146 A CA 1.316 53.151 52.037 -0.337 0.000 0.676 146 A CB -0.655 17.976 19.000 -0.616 0.000 0.818 146 A HN 0.082 nan 8.150 nan 0.000 0.453 147 V N -2.161 117.657 119.914 -0.161 0.000 3.278 147 V HA 0.193 4.312 4.120 -0.001 0.000 0.215 147 V C 2.638 178.514 176.094 -0.365 0.000 1.287 147 V CA 0.678 62.798 62.300 -0.300 0.000 1.302 147 V CB -0.726 31.024 31.823 -0.121 0.000 1.228 147 V HN 0.386 nan 8.190 nan 0.000 0.523 148 A N 0.562 123.339 122.820 -0.072 0.000 1.908 148 A HA -0.108 4.211 4.320 -0.001 0.000 0.218 148 A C 2.274 179.913 177.584 0.092 0.000 1.181 148 A CA 2.468 54.587 52.037 0.137 0.000 0.627 148 A CB -0.785 18.384 19.000 0.281 0.000 0.818 148 A HN 0.665 nan 8.150 nan 0.000 0.445 149 A N 0.190 123.006 122.820 -0.006 0.000 1.933 149 A HA -0.192 4.127 4.320 -0.001 0.000 0.218 149 A C 1.953 179.542 177.584 0.008 0.000 1.175 149 A CA 1.687 53.717 52.037 -0.012 0.000 0.628 149 A CB -0.585 18.401 19.000 -0.024 0.000 0.814 149 A HN 0.576 nan 8.150 nan 0.000 0.444 150 N N -0.645 118.048 118.700 -0.010 0.000 2.142 150 N HA -0.101 4.638 4.740 -0.001 0.000 0.186 150 N C 1.378 176.986 175.510 0.163 0.000 1.023 150 N CA 1.315 54.416 53.050 0.086 0.000 0.852 150 N CB -0.519 37.966 38.487 -0.003 0.000 0.998 150 N HN 0.433 nan 8.380 nan 0.000 0.424 151 F N 1.791 121.810 119.950 0.116 0.000 2.171 151 F HA -0.062 4.464 4.527 -0.001 0.000 0.300 151 F C 2.559 178.419 175.800 0.100 0.000 1.090 151 F CA 0.787 58.873 58.000 0.144 0.000 1.293 151 F CB -1.288 37.784 39.000 0.120 0.000 1.013 151 F HN 0.000 nan 8.300 nan 0.000 0.486 152 T N -1.054 113.649 114.554 0.248 0.000 2.777 152 T HA -0.151 4.199 4.350 -0.001 0.000 0.266 152 T C 2.321 176.994 174.700 -0.045 0.000 1.040 152 T CA 1.613 63.777 62.100 0.106 0.000 1.141 152 T CB -0.465 68.444 68.868 0.069 0.000 0.868 152 T HN 0.148 nan 8.240 nan 0.000 0.444 153 S N 1.349 116.968 115.700 -0.135 0.000 2.370 153 S HA -0.082 4.388 4.470 -0.001 0.000 0.226 153 S C 2.582 177.002 174.600 -0.299 0.000 1.033 153 S CA 1.021 58.984 58.200 -0.395 0.000 1.011 153 S CB -0.610 62.078 63.200 -0.853 0.000 0.852 153 S HN 0.600 nan 8.310 nan 0.000 0.457 154 A N 0.896 123.698 122.820 -0.030 0.000 1.865 154 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 154 A C 2.328 179.878 177.584 -0.056 0.000 1.191 154 A CA 2.165 54.253 52.037 0.086 0.000 0.623 154 A CB -1.229 17.979 19.000 0.346 0.000 0.826 154 A HN 0.472 nan 8.150 nan 0.000 0.444 155 S N -0.786 114.894 115.700 -0.034 0.000 2.368 155 S HA -0.113 4.357 4.470 -0.001 0.000 0.225 155 S C 2.283 176.777 174.600 -0.177 0.000 1.030 155 S CA 1.803 59.945 58.200 -0.096 0.000 0.999 155 S CB -0.351 62.839 63.200 -0.017 0.000 0.844 155 S HN 0.592 nan 8.310 nan 0.000 0.459 156 S N 1.313 116.893 115.700 -0.200 0.000 2.371 156 S HA 0.124 4.593 4.470 -0.001 0.000 0.224 156 S C 1.778 176.172 174.600 -0.345 0.000 1.029 156 S CA 0.880 58.914 58.200 -0.276 0.000 0.978 156 S CB -0.373 62.650 63.200 -0.295 0.000 0.833 156 S HN 0.432 nan 8.310 nan 0.000 0.466 157 L N 1.173 122.181 121.223 -0.358 0.000 2.083 157 L HA -0.135 4.204 4.340 -0.001 0.000 0.209 157 L C 2.774 179.496 176.870 -0.246 0.000 1.083 157 L CA 1.160 55.809 54.840 -0.318 0.000 0.752 157 L CB -0.689 41.204 42.059 -0.276 0.000 0.899 157 L HN 0.324 nan 8.230 nan 0.000 0.433 158 A N 0.059 122.674 122.820 -0.342 0.000 1.902 158 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 158 A C 2.206 179.474 177.584 -0.526 0.000 1.181 158 A CA 1.616 53.290 52.037 -0.604 0.000 0.623 158 A CB -0.679 18.012 19.000 -0.514 0.000 0.818 158 A HN 0.331 nan 8.150 nan 0.000 0.443 159 L N -0.176 120.822 121.223 -0.376 0.000 2.079 159 L HA -0.110 4.229 4.340 -0.001 0.000 0.210 159 L C 2.005 178.617 176.870 -0.430 0.000 1.081 159 L CA 1.741 56.340 54.840 -0.401 0.000 0.752 159 L CB -0.400 41.386 42.059 -0.456 0.000 0.896 159 L HN 0.406 nan 8.230 nan 0.000 0.433 160 L N -0.750 120.288 121.223 -0.308 0.000 2.610 160 L HA 0.171 4.510 4.340 -0.001 0.000 0.232 160 L C 1.578 178.388 176.870 -0.100 0.000 1.149 160 L CA 0.617 55.396 54.840 -0.102 0.000 0.872 160 L CB -0.726 41.386 42.059 0.087 0.000 0.992 160 L HN 0.596 nan 8.230 nan 0.000 0.447 161 G N -1.102 107.571 108.800 -0.212 0.000 2.159 161 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.227 161 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.227 161 G C -0.029 174.725 174.900 -0.244 0.000 0.986 161 G CA -0.465 44.519 45.100 -0.195 0.000 0.651 161 G HN 0.331 nan 8.290 nan 0.000 0.523 162 Y N 1.463 121.689 120.300 -0.123 0.000 2.812 162 Y HA 0.477 5.026 4.550 -0.002 0.000 0.354 162 Y C 1.764 177.631 175.900 -0.055 0.000 1.276 162 Y CA -0.267 57.836 58.100 0.004 0.000 1.639 162 Y CB -0.162 38.342 38.460 0.074 0.000 1.741 162 Y HN 0.355 nan 8.280 nan 0.000 0.479 163 H N -0.912 118.224 119.070 0.110 0.000 2.353 163 H HA -0.152 4.403 4.556 -0.002 0.000 0.300 163 H C 1.385 176.809 175.328 0.160 0.000 1.090 163 H CA 2.046 58.113 56.048 0.032 0.000 1.327 163 H CB 0.277 30.036 29.762 -0.005 0.000 1.383 163 H HN 0.410 nan 8.280 nan 0.000 0.508 164 D N 0.053 120.679 120.400 0.376 0.000 2.149 164 D HA -0.082 4.557 4.640 -0.001 0.000 0.201 164 D C 2.228 178.735 176.300 0.345 0.000 0.972 164 D CA 0.538 54.774 54.000 0.393 0.000 0.835 164 D CB -0.214 40.758 40.800 0.286 0.000 0.966 164 D HN 0.284 nan 8.370 nan 0.000 0.476 165 L N 0.524 121.940 121.223 0.321 0.000 2.083 165 L HA -0.085 4.254 4.340 -0.001 0.000 0.209 165 L C 2.523 179.616 176.870 0.372 0.000 1.083 165 L CA 1.334 56.369 54.840 0.325 0.000 0.752 165 L CB -0.691 41.572 42.059 0.341 0.000 0.899 165 L HN 0.096 nan 8.230 nan 0.000 0.433 166 G N -1.057 107.901 108.800 0.263 0.000 2.440 166 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.218 166 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.218 166 G C 1.372 176.424 174.900 0.253 0.000 1.154 166 G CA 0.638 45.848 45.100 0.184 0.000 0.767 166 G HN 0.315 nan 8.290 nan 0.000 0.552 167 Y N 0.494 120.945 120.300 0.253 0.000 2.256 167 Y HA -0.054 4.496 4.550 -0.001 0.000 0.288 167 Y C 2.798 178.886 175.900 0.313 0.000 1.155 167 Y CA 0.674 58.946 58.100 0.286 0.000 1.203 167 Y CB -0.077 38.502 38.460 0.199 0.000 0.980 167 Y HN 0.096 nan 8.280 nan 0.000 0.530 168 L N -1.828 119.612 121.223 0.362 0.000 2.017 168 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 168 L C 2.043 178.973 176.870 0.098 0.000 1.073 168 L CA 1.351 56.288 54.840 0.162 0.000 0.745 168 L CB -0.722 41.339 42.059 0.004 0.000 0.894 168 L HN 0.174 nan 8.230 nan 0.000 0.432 169 F N -0.752 119.314 119.950 0.193 0.000 2.186 169 F HA -0.240 4.287 4.527 -0.001 0.000 0.299 169 F C 2.372 178.297 175.800 0.208 0.000 1.090 169 F CA 1.477 59.567 58.000 0.150 0.000 1.307 169 F CB -0.613 38.455 39.000 0.114 0.000 1.019 169 F HN -0.055 nan 8.300 nan 0.000 0.489 170 F N 0.858 121.031 119.950 0.372 0.000 2.095 170 F HA -0.100 4.426 4.527 -0.002 0.000 0.298 170 F C 2.381 178.417 175.800 0.394 0.000 1.104 170 F CA 1.783 60.043 58.000 0.432 0.000 1.232 170 F CB -0.996 38.214 39.000 0.351 0.000 0.987 170 F HN -0.063 nan 8.300 nan 0.000 0.475 171 G N -0.386 108.594 108.800 0.300 0.000 2.418 171 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.217 171 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.217 171 G C 1.828 176.744 174.900 0.027 0.000 1.158 171 G CA 0.811 45.997 45.100 0.144 0.000 0.771 171 G HN 0.636 nan 8.290 nan 0.000 0.545 172 A N 0.904 123.738 122.820 0.023 0.000 1.883 172 A HA 0.115 4.435 4.320 -0.001 0.000 0.217 172 A C 2.703 180.234 177.584 -0.088 0.000 1.186 172 A CA 2.219 54.242 52.037 -0.024 0.000 0.624 172 A CB -1.085 17.889 19.000 -0.043 0.000 0.822 172 A HN 0.529 nan 8.150 nan 0.000 0.444 173 G N -1.053 107.617 108.800 -0.217 0.000 2.402 173 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.216 173 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.216 173 G C 1.668 176.314 174.900 -0.422 0.000 1.162 173 G CA 1.133 45.871 45.100 -0.603 0.000 0.777 173 G HN 0.488 nan 8.290 nan 0.000 0.539 174 M N -0.057 119.460 119.600 -0.138 0.000 2.099 174 M HA 0.097 4.577 4.480 -0.001 0.000 0.262 174 M C 2.452 178.838 176.300 0.144 0.000 1.067 174 M CA 1.360 56.772 55.300 0.185 0.000 1.124 174 M CB -0.150 32.418 32.600 -0.053 0.000 1.353 174 M HN 0.213 nan 8.290 nan 0.000 0.410 175 I N 0.295 120.890 120.570 0.042 0.000 2.315 175 I HA -0.203 3.966 4.170 -0.001 0.000 0.248 175 I C 2.616 178.785 176.117 0.087 0.000 1.117 175 I CA 1.002 62.324 61.300 0.036 0.000 1.404 175 I CB -0.672 37.343 38.000 0.026 0.000 1.071 175 I HN 0.365 nan 8.210 nan 0.000 0.419 176 A N 0.626 123.510 122.820 0.107 0.000 1.940 176 A HA -0.272 4.047 4.320 -0.001 0.000 0.219 176 A C 2.095 179.885 177.584 0.345 0.000 1.176 176 A CA 1.725 53.874 52.037 0.187 0.000 0.631 176 A CB -1.075 17.992 19.000 0.113 0.000 0.814 176 A HN 0.699 nan 8.150 nan 0.000 0.446 177 W N 0.985 122.356 121.300 0.117 0.000 2.354 177 W HA -0.161 4.499 4.660 -0.001 0.000 0.315 177 W C 1.580 178.239 176.519 0.233 0.000 1.206 177 W CA 1.605 59.076 57.345 0.209 0.000 1.290 177 W CB -0.588 28.919 29.460 0.079 0.000 1.152 177 W HN 0.239 nan 8.180 nan 0.000 0.489 178 I N 0.781 121.236 120.570 -0.192 0.000 2.493 178 I HA -0.219 3.950 4.170 -0.001 0.000 0.254 178 I C 2.343 178.386 176.117 -0.123 0.000 1.160 178 I CA 1.316 62.354 61.300 -0.436 0.000 1.445 178 I CB -1.423 36.318 38.000 -0.433 0.000 1.086 178 I HN 0.085 nan 8.210 nan 0.000 0.433 179 I N -0.729 119.868 120.570 0.045 0.000 2.716 179 I HA -0.247 3.923 4.170 -0.001 0.000 0.259 179 I C 2.250 178.474 176.117 0.179 0.000 1.172 179 I CA 0.767 62.118 61.300 0.086 0.000 1.478 179 I CB -0.044 38.014 38.000 0.098 0.000 1.104 179 I HN 0.030 nan 8.210 nan 0.000 0.439 180 F N 1.069 121.119 119.950 0.168 0.000 2.374 180 F HA -0.023 4.503 4.527 -0.002 0.000 0.291 180 F C 2.350 178.256 175.800 0.177 0.000 1.084 180 F CA 1.095 59.193 58.000 0.163 0.000 1.413 180 F CB -0.098 39.089 39.000 0.311 0.000 1.099 180 F HN -0.039 nan 8.300 nan 0.000 0.534 181 E N 0.446 120.828 120.200 0.303 0.000 2.130 181 E HA -0.209 4.141 4.350 -0.001 0.000 0.196 181 E C -0.740 175.861 176.600 0.001 0.000 0.998 181 E CA 1.631 58.183 56.400 0.252 0.000 0.806 181 E CB -0.925 29.034 29.700 0.431 0.000 0.738 181 E HN 0.267 nan 8.360 nan 0.000 0.459 182 P HA -0.188 nan 4.420 nan 0.000 0.215 182 P C 1.629 178.864 177.300 -0.108 0.000 1.157 182 P CA 1.997 65.059 63.100 -0.064 0.000 0.868 182 P CB -0.179 31.476 31.700 -0.074 0.000 0.788 183 V N -2.899 116.884 119.914 -0.218 0.000 2.667 183 V HA -0.134 3.985 4.120 -0.001 0.000 0.252 183 V C 2.144 178.083 176.094 -0.259 0.000 1.065 183 V CA 1.230 63.390 62.300 -0.233 0.000 1.083 183 V CB -1.757 29.914 31.823 -0.254 0.000 0.692 183 V HN -0.046 nan 8.190 nan 0.000 0.468 184 L N 0.261 121.212 121.223 -0.454 0.000 2.017 184 L HA -0.017 4.322 4.340 -0.001 0.000 0.208 184 L C 2.346 179.218 176.870 0.003 0.000 1.073 184 L CA 2.073 56.752 54.840 -0.269 0.000 0.745 184 L CB -0.616 41.254 42.059 -0.314 0.000 0.894 184 L HN 0.298 nan 8.230 nan 0.000 0.432 185 L N -1.005 120.236 121.223 0.030 0.000 2.093 185 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 185 L C 2.600 179.498 176.870 0.047 0.000 1.085 185 L CA 1.211 56.100 54.840 0.082 0.000 0.755 185 L CB -0.640 41.495 42.059 0.126 0.000 0.904 185 L HN 0.391 nan 8.230 nan 0.000 0.435 186 Q N 0.018 119.833 119.800 0.026 0.000 2.084 186 Q HA -0.272 4.067 4.340 -0.001 0.000 0.202 186 Q C 2.160 178.186 176.000 0.045 0.000 0.978 186 Q CA 1.917 57.733 55.803 0.022 0.000 0.844 186 Q CB -0.223 28.520 28.738 0.008 0.000 0.898 186 Q HN 0.490 nan 8.270 nan 0.000 0.426 187 H N -0.468 118.587 119.070 -0.026 0.000 2.353 187 H HA -0.052 4.503 4.556 -0.001 0.000 0.300 187 H C 1.634 176.974 175.328 0.020 0.000 1.090 187 H CA 1.989 58.036 56.048 -0.003 0.000 1.327 187 H CB -0.199 29.561 29.762 -0.004 0.000 1.383 187 H HN 0.306 nan 8.280 nan 0.000 0.508 188 L N -0.215 120.987 121.223 -0.035 0.000 2.083 188 L HA -0.163 4.176 4.340 -0.001 0.000 0.209 188 L C 2.748 179.558 176.870 -0.100 0.000 1.083 188 L CA 1.396 56.196 54.840 -0.067 0.000 0.752 188 L CB -0.402 41.683 42.059 0.043 0.000 0.899 188 L HN 0.279 nan 8.230 nan 0.000 0.433 189 R N 0.010 120.467 120.500 -0.072 0.000 2.081 189 R HA -0.126 4.213 4.340 -0.001 0.000 0.235 189 R C 2.226 178.473 176.300 -0.089 0.000 1.131 189 R CA 1.414 57.465 56.100 -0.082 0.000 0.960 189 R CB -0.240 30.029 30.300 -0.051 0.000 0.856 189 R HN 0.376 nan 8.270 nan 0.000 0.436 190 I N -0.948 119.566 120.570 -0.093 0.000 2.429 190 I HA -0.117 4.052 4.170 -0.001 0.000 0.247 190 I C 1.628 177.684 176.117 -0.101 0.000 1.099 190 I CA 1.065 62.319 61.300 -0.076 0.000 1.422 190 I CB 0.205 38.181 38.000 -0.040 0.000 1.112 190 I HN 0.017 nan 8.210 nan 0.000 0.430 191 S N -1.505 114.069 115.700 -0.209 0.000 2.613 191 S HA 0.150 4.619 4.470 -0.001 0.000 0.235 191 S C 0.757 175.262 174.600 -0.158 0.000 1.073 191 S CA 0.297 58.379 58.200 -0.197 0.000 0.899 191 S CB 0.614 63.636 63.200 -0.296 0.000 0.818 191 S HN 0.393 nan 8.310 nan 0.000 0.484 192 S N 0.172 115.729 115.700 -0.238 0.000 3.469 192 S HA -0.233 4.236 4.470 -0.001 0.000 0.628 192 S C -0.957 173.678 174.600 0.058 0.000 2.687 192 S CA 0.959 59.135 58.200 -0.039 0.000 3.829 192 S CB -1.052 62.213 63.200 0.108 0.000 0.258 192 S HN 0.305 nan 8.310 nan 0.000 1.222 193 L N 1.714 123.078 121.223 0.235 0.000 2.408 193 L HA 0.594 4.934 4.340 -0.001 0.000 0.268 193 L C -0.462 176.522 176.870 0.191 0.000 0.986 193 L CA -0.206 54.757 54.840 0.205 0.000 0.820 193 L CB 1.472 43.637 42.059 0.177 0.000 1.303 193 L HN 0.729 nan 8.230 nan 0.000 0.411 194 E N 4.533 124.876 120.200 0.238 0.000 2.404 194 E HA 0.118 4.467 4.350 -0.001 0.000 0.261 194 E C -1.694 174.877 176.600 -0.048 0.000 1.074 194 E CA -0.945 55.525 56.400 0.117 0.000 0.917 194 E CB 0.132 29.932 29.700 0.168 0.000 0.965 194 E HN 0.364 nan 8.360 nan 0.000 0.433 195 P HA -0.267 nan 4.420 nan 0.000 0.216 195 P C 1.100 178.241 177.300 -0.266 0.000 1.150 195 P CA 1.391 64.333 63.100 -0.264 0.000 0.843 195 P CB 0.076 31.641 31.700 -0.224 0.000 0.787 196 Q N -1.404 118.190 119.800 -0.344 0.000 2.364 196 Q HA -0.113 4.226 4.340 -0.001 0.000 0.209 196 Q C 1.054 176.761 176.000 -0.489 0.000 0.977 196 Q CA 1.520 57.047 55.803 -0.460 0.000 0.885 196 Q CB -0.953 27.414 28.738 -0.619 0.000 0.941 196 Q HN 0.285 nan 8.270 nan 0.000 0.464 197 F N 0.473 120.392 119.950 -0.052 0.000 2.721 197 F HA 0.354 4.880 4.527 -0.001 0.000 0.301 197 F C 2.077 177.841 175.800 -0.059 0.000 1.096 197 F CA -0.492 57.491 58.000 -0.029 0.000 1.308 197 F CB 0.197 39.168 39.000 -0.048 0.000 1.086 197 F HN -0.059 nan 8.300 nan 0.000 0.587 198 R N 0.385 120.878 120.500 -0.012 0.000 2.148 198 R HA -0.043 4.296 4.340 -0.001 0.000 0.227 198 R C 2.343 178.658 176.300 0.025 0.000 1.103 198 R CA 0.971 57.019 56.100 -0.087 0.000 0.983 198 R CB -0.454 29.596 30.300 -0.418 0.000 0.874 198 R HN 0.245 nan 8.270 nan 0.000 0.451 199 A N 0.961 123.806 122.820 0.043 0.000 2.024 199 A HA -0.172 4.147 4.320 -0.001 0.000 0.220 199 A C 2.151 179.814 177.584 0.131 0.000 1.164 199 A CA 1.949 54.068 52.037 0.138 0.000 0.643 199 A CB -0.806 18.266 19.000 0.120 0.000 0.806 199 A HN 0.479 nan 8.150 nan 0.000 0.451 200 T N -3.008 111.631 114.554 0.143 0.000 3.098 200 T HA -0.053 4.296 4.350 -0.001 0.000 0.266 200 T C 1.618 176.379 174.700 0.101 0.000 1.145 200 T CA 1.098 63.292 62.100 0.157 0.000 1.092 200 T CB -0.441 68.582 68.868 0.258 0.000 0.908 200 T HN 0.261 nan 8.240 nan 0.000 0.526 201 M N 1.461 121.126 119.600 0.108 0.000 2.267 201 M HA 0.040 4.520 4.480 -0.001 0.000 0.263 201 M C 2.609 178.866 176.300 -0.072 0.000 1.063 201 M CA 1.343 56.724 55.300 0.136 0.000 1.090 201 M CB -1.718 31.056 32.600 0.291 0.000 1.392 201 M HN 0.566 nan 8.290 nan 0.000 0.422 202 G N 0.580 109.055 108.800 -0.542 0.000 2.450 202 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.220 202 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.220 202 G C 1.580 176.265 174.900 -0.359 0.000 1.130 202 G CA 0.525 44.880 45.100 -1.243 0.000 0.760 202 G HN 0.508 nan 8.290 nan 0.000 0.557 203 I N 0.603 121.132 120.570 -0.068 0.000 2.614 203 I HA -0.111 4.058 4.170 -0.001 0.000 0.258 203 I C 2.483 178.722 176.117 0.204 0.000 1.189 203 I CA 0.141 61.518 61.300 0.129 0.000 1.462 203 I CB -0.110 38.027 38.000 0.227 0.000 1.092 203 I HN 0.002 nan 8.210 nan 0.000 0.442 204 V N 0.863 120.909 119.914 0.219 0.000 2.594 204 V HA -0.241 3.878 4.120 -0.001 0.000 0.253 204 V C 2.292 178.456 176.094 0.115 0.000 1.069 204 V CA 1.340 63.815 62.300 0.291 0.000 1.082 204 V CB -0.443 31.570 31.823 0.318 0.000 0.680 204 V HN 0.385 nan 8.190 nan 0.000 0.469 205 L N 0.454 121.722 121.223 0.074 0.000 2.395 205 L HA 0.120 4.459 4.340 -0.001 0.000 0.218 205 L C 2.334 179.208 176.870 0.007 0.000 1.130 205 L CA 1.693 56.579 54.840 0.077 0.000 0.826 205 L CB -0.702 41.455 42.059 0.164 0.000 0.941 205 L HN 0.203 nan 8.230 nan 0.000 0.451 206 A N 0.282 123.062 122.820 -0.066 0.000 1.873 206 A HA -0.035 4.284 4.320 -0.001 0.000 0.215 206 A C -0.019 177.376 177.584 -0.314 0.000 1.186 206 A CA 1.502 53.447 52.037 -0.154 0.000 0.616 206 A CB -1.846 17.128 19.000 -0.042 0.000 0.823 206 A HN 0.377 nan 8.150 nan 0.000 0.442 207 P HA -0.136 nan 4.420 nan 0.000 0.214 207 P C -1.348 175.305 177.300 -1.079 0.000 1.163 207 P CA 2.194 64.704 63.100 -0.984 0.000 0.889 207 P CB -0.821 29.706 31.700 -1.954 0.000 0.790 208 P HA -0.121 nan 4.420 nan 0.000 0.217 208 P C 1.314 178.280 177.300 -0.556 0.000 1.151 208 P CA 1.446 64.109 63.100 -0.728 0.000 0.828 208 P CB -0.426 31.001 31.700 -0.455 0.000 0.788 209 F N -0.404 119.374 119.950 -0.286 0.000 2.234 209 F HA -0.053 4.474 4.527 -0.000 0.000 0.296 209 F C 2.493 178.164 175.800 -0.216 0.000 1.089 209 F CA 0.780 58.664 58.000 -0.193 0.000 1.343 209 F CB -1.459 37.423 39.000 -0.195 0.000 1.040 209 F HN -0.306 nan 8.300 nan 0.000 0.498 210 V N -1.395 118.425 119.914 -0.156 0.000 2.427 210 V HA -0.288 3.831 4.120 -0.001 0.000 0.248 210 V C 2.536 178.373 176.094 -0.428 0.000 1.051 210 V CA 1.565 63.743 62.300 -0.202 0.000 1.048 210 V CB -0.800 30.944 31.823 -0.132 0.000 0.666 210 V HN 0.610 nan 8.190 nan 0.000 0.456 211 C N -0.509 118.343 119.300 -0.746 0.000 2.413 211 C HA -0.146 4.313 4.460 -0.001 0.000 0.277 211 C C 2.820 177.664 174.990 -0.244 0.000 1.228 211 C CA 1.692 60.062 59.018 -1.079 0.000 1.731 211 C CB -0.734 26.597 27.740 -0.682 0.000 2.042 211 C HN 0.403 nan 8.230 nan 0.000 0.468 212 V N 0.266 120.136 119.914 -0.074 0.000 2.427 212 V HA -0.110 4.009 4.120 -0.001 0.000 0.248 212 V C 2.733 178.900 176.094 0.121 0.000 1.051 212 V CA 2.672 65.045 62.300 0.122 0.000 1.048 212 V CB -0.648 31.295 31.823 0.199 0.000 0.666 212 V HN 0.753 nan 8.190 nan 0.000 0.456 213 S N -0.316 115.431 115.700 0.079 0.000 2.356 213 S HA -0.166 4.303 4.470 -0.001 0.000 0.223 213 S C 2.144 176.750 174.600 0.010 0.000 1.032 213 S CA 1.855 60.098 58.200 0.073 0.000 1.005 213 S CB -0.473 62.778 63.200 0.085 0.000 0.867 213 S HN 0.813 nan 8.310 nan 0.000 0.449 214 A N 0.086 122.901 122.820 -0.009 0.000 1.902 214 A HA -0.046 4.273 4.320 -0.001 0.000 0.217 214 A C 2.035 179.555 177.584 -0.107 0.000 1.181 214 A CA 1.704 53.747 52.037 0.011 0.000 0.623 214 A CB -1.211 17.875 19.000 0.142 0.000 0.818 214 A HN 0.738 nan 8.150 nan 0.000 0.443 215 Y N 0.600 120.737 120.300 -0.272 0.000 2.128 215 Y HA -0.180 4.369 4.550 -0.002 0.000 0.284 215 Y C 1.921 177.599 175.900 -0.370 0.000 1.154 215 Y CA 1.888 59.648 58.100 -0.566 0.000 1.149 215 Y CB -0.420 37.812 38.460 -0.381 0.000 0.976 215 Y HN 0.216 nan 8.280 nan 0.000 0.505 216 L N -0.978 120.062 121.223 -0.305 0.000 2.201 216 L HA -0.195 4.144 4.340 -0.001 0.000 0.212 216 L C 2.410 179.069 176.870 -0.351 0.000 1.105 216 L CA 1.284 55.908 54.840 -0.361 0.000 0.775 216 L CB -0.549 41.400 42.059 -0.185 0.000 0.913 216 L HN 0.126 nan 8.230 nan 0.000 0.440 217 S N 0.406 115.934 115.700 -0.286 0.000 2.383 217 S HA -0.094 4.375 4.470 -0.001 0.000 0.227 217 S C 1.885 176.282 174.600 -0.338 0.000 1.026 217 S CA 1.407 59.448 58.200 -0.266 0.000 0.981 217 S CB -0.147 62.946 63.200 -0.178 0.000 0.818 217 S HN 0.557 nan 8.310 nan 0.000 0.472 218 I N 0.827 121.122 120.570 -0.457 0.000 3.030 218 I HA 0.102 4.271 4.170 -0.001 0.000 0.270 218 I C 1.172 176.912 176.117 -0.629 0.000 1.211 218 I CA 0.842 61.820 61.300 -0.536 0.000 1.479 218 I CB -0.309 37.206 38.000 -0.807 0.000 1.105 218 I HN 0.162 nan 8.210 nan 0.000 0.447 219 N N 0.759 119.054 118.700 -0.676 0.000 2.279 219 N HA -0.078 4.661 4.740 -0.001 0.000 0.226 219 N C 0.117 175.374 175.510 -0.421 0.000 1.126 219 N CA -0.288 52.421 53.050 -0.569 0.000 0.846 219 N CB -0.663 37.423 38.487 -0.668 0.000 1.050 219 N HN 0.478 nan 8.380 nan 0.000 0.502 220 H N -0.937 117.991 119.070 -0.237 0.000 2.992 220 H HA -0.131 4.424 4.556 -0.002 0.000 0.266 220 H C 1.166 176.357 175.328 -0.229 0.000 1.200 220 H CA 0.972 56.897 56.048 -0.205 0.000 1.135 220 H CB -1.750 27.896 29.762 -0.193 0.000 1.282 220 H HN 0.637 nan 8.280 nan 0.000 0.351 221 G N 0.517 109.184 108.800 -0.222 0.000 2.143 221 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.248 221 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.248 221 G C 0.026 174.789 174.900 -0.229 0.000 0.991 221 G CA 0.592 45.553 45.100 -0.232 0.000 0.689 221 G HN 0.719 nan 8.290 nan 0.000 0.522 222 E N 0.563 120.625 120.200 -0.230 0.000 2.166 222 E HA 0.388 4.737 4.350 -0.001 0.000 0.279 222 E C 0.319 176.774 176.600 -0.242 0.000 1.095 222 E CA -0.558 55.723 56.400 -0.197 0.000 0.888 222 E CB 0.612 30.228 29.700 -0.139 0.000 1.041 222 E HN 0.118 nan 8.360 nan 0.000 0.414 223 V N 6.909 126.649 119.914 -0.291 0.000 2.338 223 V HA 0.057 4.176 4.120 -0.001 0.000 0.255 223 V C 0.190 176.135 176.094 -0.248 0.000 1.082 223 V CA -0.180 61.863 62.300 -0.428 0.000 0.951 223 V CB 0.054 31.448 31.823 -0.715 0.000 1.102 223 V HN 0.689 nan 8.190 nan 0.000 0.489 224 D N 2.634 122.963 120.400 -0.120 0.000 2.666 224 D HA 0.270 4.909 4.640 -0.001 0.000 0.252 224 D C 1.137 177.444 176.300 0.012 0.000 1.143 224 D CA -0.484 53.502 54.000 -0.024 0.000 1.096 224 D CB 0.694 41.524 40.800 0.049 0.000 1.260 224 D HN 0.123 nan 8.370 nan 0.000 0.633 225 T N -0.273 114.300 114.554 0.032 0.000 2.708 225 T HA -0.127 4.222 4.350 -0.001 0.000 0.266 225 T C 1.704 176.431 174.700 0.045 0.000 1.037 225 T CA 1.331 63.456 62.100 0.041 0.000 1.146 225 T CB -0.372 68.515 68.868 0.032 0.000 0.865 225 T HN 0.318 nan 8.240 nan 0.000 0.435 226 L N 1.576 122.809 121.223 0.017 0.000 2.012 226 L HA -0.037 4.302 4.340 -0.001 0.000 0.210 226 L C 2.592 179.459 176.870 -0.005 0.000 1.073 226 L CA 2.065 56.872 54.840 -0.054 0.000 0.748 226 L CB -1.116 40.789 42.059 -0.257 0.000 0.891 226 L HN 0.234 nan 8.230 nan 0.000 0.431 227 A N -0.693 122.168 122.820 0.069 0.000 1.902 227 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 227 A C 2.313 180.061 177.584 0.273 0.000 1.181 227 A CA 2.042 54.167 52.037 0.147 0.000 0.623 227 A CB -0.518 18.499 19.000 0.028 0.000 0.818 227 A HN 0.547 nan 8.150 nan 0.000 0.443 228 K N -0.485 120.061 120.400 0.243 0.000 2.097 228 K HA 0.008 4.327 4.320 -0.001 0.000 0.205 228 K C 1.775 178.544 176.600 0.281 0.000 1.050 228 K CA 1.342 57.845 56.287 0.359 0.000 0.938 228 K CB -0.329 32.329 32.500 0.265 0.000 0.718 228 K HN 0.514 nan 8.250 nan 0.000 0.442 229 I N 1.207 121.881 120.570 0.174 0.000 2.179 229 I HA -0.306 3.863 4.170 -0.001 0.000 0.242 229 I C 2.154 178.354 176.117 0.139 0.000 1.088 229 I CA 1.300 62.677 61.300 0.128 0.000 1.357 229 I CB -0.229 37.810 38.000 0.065 0.000 1.051 229 I HN 0.126 nan 8.210 nan 0.000 0.409 230 L N -1.096 120.211 121.223 0.140 0.000 2.046 230 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 230 L C 2.441 179.334 176.870 0.039 0.000 1.077 230 L CA 1.320 56.232 54.840 0.121 0.000 0.747 230 L CB -0.678 41.447 42.059 0.110 0.000 0.896 230 L HN 0.359 nan 8.230 nan 0.000 0.432 231 W N 0.898 122.101 121.300 -0.163 0.000 2.338 231 W HA -0.109 4.550 4.660 -0.002 0.000 0.304 231 W C 2.458 178.719 176.519 -0.430 0.000 1.212 231 W CA 1.441 58.528 57.345 -0.430 0.000 1.264 231 W CB -1.029 28.256 29.460 -0.292 0.000 1.142 231 W HN 0.124 nan 8.180 nan 0.000 0.512 232 G N -1.505 107.356 108.800 0.101 0.000 2.421 232 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.216 232 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.216 232 G C 1.406 176.285 174.900 -0.034 0.000 1.171 232 G CA 1.165 46.325 45.100 0.099 0.000 0.775 232 G HN 0.301 nan 8.290 nan 0.000 0.543 233 Y N 2.084 122.299 120.300 -0.141 0.000 2.224 233 Y HA -0.012 4.537 4.550 -0.001 0.000 0.289 233 Y C 2.784 178.480 175.900 -0.340 0.000 1.146 233 Y CA 1.324 59.320 58.100 -0.172 0.000 1.182 233 Y CB -0.503 37.928 38.460 -0.049 0.000 0.983 233 Y HN 0.138 nan 8.280 nan 0.000 0.524 234 G N -0.508 107.955 108.800 -0.561 0.000 2.446 234 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.217 234 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.217 234 G C 1.444 175.922 174.900 -0.704 0.000 1.168 234 G CA 1.170 45.607 45.100 -1.105 0.000 0.771 234 G HN 0.393 nan 8.290 nan 0.000 0.551 235 F N 0.216 119.860 119.950 -0.511 0.000 2.186 235 F HA 0.101 4.627 4.527 -0.002 0.000 0.299 235 F C 2.413 177.566 175.800 -1.079 0.000 1.090 235 F CA 0.401 57.948 58.000 -0.755 0.000 1.307 235 F CB -0.965 37.569 39.000 -0.777 0.000 1.019 235 F HN 0.102 nan 8.300 nan 0.000 0.489 236 L N 0.162 121.007 121.223 -0.630 0.000 1.990 236 L HA -0.248 4.092 4.340 -0.001 0.000 0.213 236 L C 2.425 178.765 176.870 -0.884 0.000 1.072 236 L CA 1.892 56.292 54.840 -0.733 0.000 0.755 236 L CB -0.785 40.844 42.059 -0.716 0.000 0.889 236 L HN 0.080 nan 8.230 nan 0.000 0.432 237 Q N -0.830 118.524 119.800 -0.742 0.000 2.119 237 Q HA -0.184 4.155 4.340 -0.001 0.000 0.201 237 Q C 2.285 178.220 176.000 -0.109 0.000 0.972 237 Q CA 1.686 57.234 55.803 -0.425 0.000 0.847 237 Q CB -0.675 27.864 28.738 -0.333 0.000 0.903 237 Q HN 0.518 nan 8.270 nan 0.000 0.433 238 L N 0.129 121.267 121.223 -0.142 0.000 2.017 238 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 238 L C 2.009 178.973 176.870 0.157 0.000 1.073 238 L CA 1.629 56.481 54.840 0.021 0.000 0.745 238 L CB -0.587 41.438 42.059 -0.055 0.000 0.894 238 L HN -0.011 nan 8.230 nan 0.000 0.432 239 F N -0.912 119.058 119.950 0.033 0.000 2.134 239 F HA -0.183 4.343 4.527 -0.002 0.000 0.299 239 F C 2.354 178.314 175.800 0.266 0.000 1.097 239 F CA 0.758 58.809 58.000 0.085 0.000 1.264 239 F CB -1.496 37.525 39.000 0.036 0.000 1.001 239 F HN 0.041 nan 8.300 nan 0.000 0.479 240 F N 0.275 120.354 119.950 0.215 0.000 2.095 240 F HA -0.182 4.344 4.527 -0.002 0.000 0.298 240 F C 2.426 178.340 175.800 0.190 0.000 1.104 240 F CA 0.871 58.962 58.000 0.151 0.000 1.232 240 F CB -1.550 37.502 39.000 0.087 0.000 0.987 240 F HN -0.042 nan 8.300 nan 0.000 0.475 241 L N -0.950 120.535 121.223 0.437 0.000 2.141 241 L HA -0.192 4.148 4.340 -0.001 0.000 0.209 241 L C 2.455 179.580 176.870 0.426 0.000 1.094 241 L CA 0.645 55.755 54.840 0.449 0.000 0.763 241 L CB -0.642 41.729 42.059 0.520 0.000 0.908 241 L HN 0.108 nan 8.230 nan 0.000 0.437 242 L N -0.569 120.863 121.223 0.348 0.000 2.017 242 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 242 L C 2.905 179.934 176.870 0.265 0.000 1.073 242 L CA 1.108 56.109 54.840 0.267 0.000 0.745 242 L CB -0.570 41.622 42.059 0.222 0.000 0.894 242 L HN 0.276 nan 8.230 nan 0.000 0.432 243 R N 0.881 121.529 120.500 0.247 0.000 2.096 243 R HA -0.132 4.207 4.340 -0.001 0.000 0.235 243 R C 2.012 178.431 176.300 0.197 0.000 1.127 243 R CA 1.445 57.652 56.100 0.178 0.000 0.968 243 R CB -0.377 29.999 30.300 0.127 0.000 0.861 243 R HN 0.382 nan 8.270 nan 0.000 0.440 244 L N 0.194 121.568 121.223 0.252 0.000 2.552 244 L HA -0.039 4.301 4.340 -0.001 0.000 0.227 244 L C 1.981 179.095 176.870 0.406 0.000 1.146 244 L CA -0.034 54.981 54.840 0.292 0.000 0.858 244 L CB -0.346 41.895 42.059 0.302 0.000 0.969 244 L HN 0.078 nan 8.230 nan 0.000 0.451 245 F N 2.095 122.178 119.950 0.222 0.000 2.126 245 F HA -0.116 4.410 4.527 -0.001 0.000 0.299 245 F C -0.450 175.439 175.800 0.149 0.000 1.096 245 F CA 1.470 59.571 58.000 0.168 0.000 1.255 245 F CB -1.121 37.917 39.000 0.063 0.000 0.997 245 F HN 0.082 nan 8.300 nan 0.000 0.479 246 P HA -0.210 nan 4.420 nan 0.000 0.216 246 P C 1.145 178.488 177.300 0.071 0.000 1.150 246 P CA 1.864 65.023 63.100 0.099 0.000 0.837 246 P CB -0.415 31.372 31.700 0.145 0.000 0.786 247 W N 0.322 121.600 121.300 -0.038 0.000 2.409 247 W HA -0.083 4.576 4.660 -0.002 0.000 0.299 247 W C 1.893 178.367 176.519 -0.074 0.000 1.203 247 W CA 1.025 58.348 57.345 -0.038 0.000 1.298 247 W CB -0.784 28.675 29.460 -0.002 0.000 1.127 247 W HN -0.231 nan 8.180 nan 0.000 0.528 248 I N 1.079 121.609 120.570 -0.066 0.000 2.248 248 I HA -0.270 3.899 4.170 -0.001 0.000 0.248 248 I C 1.786 177.641 176.117 -0.438 0.000 1.107 248 I CA 1.798 62.899 61.300 -0.332 0.000 1.373 248 I CB -0.747 37.187 38.000 -0.109 0.000 1.055 248 I HN 0.035 nan 8.210 nan 0.000 0.418 249 V N -2.498 117.138 119.914 -0.464 0.000 3.099 249 V HA 0.166 4.285 4.120 -0.001 0.000 0.356 249 V C 1.572 177.522 176.094 -0.240 0.000 1.364 249 V CA -0.084 61.992 62.300 -0.374 0.000 1.229 249 V CB -0.155 31.399 31.823 -0.448 0.000 1.227 249 V HN 0.365 nan 8.190 nan 0.000 0.493 250 E N 1.308 121.360 120.200 -0.248 0.000 2.114 250 E HA -0.243 4.106 4.350 -0.001 0.000 0.199 250 E C 1.294 177.815 176.600 -0.131 0.000 1.008 250 E CA 1.475 57.776 56.400 -0.164 0.000 0.810 250 E CB 0.180 29.762 29.700 -0.197 0.000 0.739 250 E HN 0.518 nan 8.360 nan 0.000 0.456 251 K N 0.011 120.317 120.400 -0.156 0.000 2.410 251 K HA 0.222 4.541 4.320 -0.001 0.000 0.200 251 K C 0.112 176.657 176.600 -0.092 0.000 1.023 251 K CA 0.675 56.894 56.287 -0.114 0.000 1.149 251 K CB 0.807 33.231 32.500 -0.127 0.000 0.859 251 K HN 0.294 nan 8.250 nan 0.000 0.514 252 G N 0.656 109.398 108.800 -0.096 0.000 2.484 252 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.685 252 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.685 252 G C -0.998 173.860 174.900 -0.069 0.000 1.294 252 G CA -1.115 43.946 45.100 -0.065 0.000 0.879 252 G HN 0.068 nan 8.290 nan 0.000 0.646 253 L N 1.496 122.698 121.223 -0.034 0.000 2.416 253 L HA 0.486 4.825 4.340 -0.001 0.000 0.272 253 L C 0.710 177.585 176.870 0.009 0.000 1.161 253 L CA -0.146 54.687 54.840 -0.011 0.000 0.845 253 L CB 0.771 42.839 42.059 0.015 0.000 1.119 253 L HN 0.966 nan 8.230 nan 0.000 0.464 254 N N 1.224 119.938 118.700 0.023 0.000 2.825 254 N HA 0.194 4.933 4.740 -0.001 0.000 0.253 254 N C 0.075 175.637 175.510 0.087 0.000 1.426 254 N CA -0.861 52.215 53.050 0.043 0.000 0.851 254 N CB 0.786 39.273 38.487 -0.001 0.000 1.470 254 N HN 0.369 nan 8.380 nan 0.000 0.517 255 I N 0.295 120.927 120.570 0.103 0.000 2.530 255 I HA 0.075 4.244 4.170 -0.001 0.000 0.257 255 I C 1.880 178.101 176.117 0.174 0.000 1.179 255 I CA 1.566 62.977 61.300 0.185 0.000 1.440 255 I CB -0.608 37.437 38.000 0.075 0.000 1.087 255 I HN 0.864 nan 8.210 nan 0.000 0.440 256 G N 0.118 108.956 108.800 0.062 0.000 2.498 256 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.219 256 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.219 256 G C 1.577 176.596 174.900 0.199 0.000 1.119 256 G CA 0.488 45.631 45.100 0.072 0.000 0.766 256 G HN 0.459 nan 8.290 nan 0.000 0.552 257 L N -1.281 120.072 121.223 0.217 0.000 2.353 257 L HA -0.032 4.307 4.340 -0.001 0.000 0.220 257 L C 2.348 179.399 176.870 0.302 0.000 1.133 257 L CA 0.273 55.292 54.840 0.299 0.000 0.798 257 L CB -0.301 41.868 42.059 0.183 0.000 0.922 257 L HN 0.321 nan 8.230 nan 0.000 0.445 258 W N -0.059 121.357 121.300 0.193 0.000 2.480 258 W HA -0.184 4.474 4.660 -0.002 0.000 0.257 258 W C 2.496 179.144 176.519 0.215 0.000 1.235 258 W CA 0.854 58.314 57.345 0.191 0.000 1.218 258 W CB -0.270 29.268 29.460 0.131 0.000 1.131 258 W HN 0.146 nan 8.180 nan 0.000 0.606 259 A N -0.765 122.279 122.820 0.374 0.000 2.024 259 A HA -0.196 4.123 4.320 -0.001 0.000 0.220 259 A C 1.544 179.233 177.584 0.175 0.000 1.164 259 A CA 1.221 53.406 52.037 0.246 0.000 0.643 259 A CB -1.015 18.059 19.000 0.124 0.000 0.806 259 A HN 0.340 nan 8.150 nan 0.000 0.451 260 F N 0.534 120.612 119.950 0.213 0.000 2.615 260 F HA -0.072 4.454 4.527 -0.000 0.000 0.297 260 F C 2.739 178.624 175.800 0.141 0.000 1.124 260 F CA 1.070 59.168 58.000 0.164 0.000 1.451 260 F CB -0.031 39.037 39.000 0.113 0.000 1.103 260 F HN 0.355 nan 8.300 nan 0.000 0.569 261 S N 0.222 116.129 115.700 0.344 0.000 2.355 261 S HA -0.260 4.209 4.470 -0.001 0.000 0.222 261 S C 2.041 176.841 174.600 0.332 0.000 1.031 261 S CA 0.937 59.313 58.200 0.293 0.000 0.993 261 S CB -1.282 62.165 63.200 0.411 0.000 0.859 261 S HN 0.331 nan 8.310 nan 0.000 0.453 262 F N 5.017 125.093 119.950 0.210 0.000 2.069 262 F HA 0.057 4.583 4.527 -0.002 0.000 0.298 262 F C -0.982 174.894 175.800 0.127 0.000 1.113 262 F CA 0.958 59.056 58.000 0.163 0.000 1.214 262 F CB -1.463 37.632 39.000 0.160 0.000 0.978 262 F HN 0.191 nan 8.300 nan 0.000 0.474 263 P HA -0.148 nan 4.420 nan 0.000 0.217 263 P C 2.288 179.522 177.300 -0.110 0.000 1.151 263 P CA 1.688 64.690 63.100 -0.163 0.000 0.828 263 P CB -0.211 31.485 31.700 -0.007 0.000 0.788 264 L N -0.556 120.665 121.223 -0.003 0.000 2.093 264 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 264 L C 2.721 179.540 176.870 -0.085 0.000 1.085 264 L CA 1.556 56.365 54.840 -0.051 0.000 0.755 264 L CB -1.175 40.907 42.059 0.038 0.000 0.904 264 L HN -0.060 nan 8.230 nan 0.000 0.435 265 A N -0.706 122.111 122.820 -0.005 0.000 1.930 265 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 265 A C 2.485 180.072 177.584 0.006 0.000 1.175 265 A CA 1.951 54.001 52.037 0.022 0.000 0.627 265 A CB -0.470 18.613 19.000 0.138 0.000 0.815 265 A HN 0.381 nan 8.150 nan 0.000 0.443 266 S N -0.757 114.906 115.700 -0.062 0.000 2.383 266 S HA -0.143 4.326 4.470 -0.001 0.000 0.227 266 S C 1.988 176.586 174.600 -0.003 0.000 1.026 266 S CA 1.462 59.632 58.200 -0.050 0.000 0.981 266 S CB -0.374 62.699 63.200 -0.211 0.000 0.818 266 S HN 0.679 nan 8.310 nan 0.000 0.472 267 M N 1.826 121.308 119.600 -0.196 0.000 2.080 267 M HA -0.153 4.326 4.480 -0.001 0.000 0.260 267 M C 2.164 178.446 176.300 -0.030 0.000 1.068 267 M CA 1.744 56.801 55.300 -0.406 0.000 1.109 267 M CB -0.405 31.519 32.600 -1.125 0.000 1.342 267 M HN 0.349 nan 8.290 nan 0.000 0.405 268 A N 0.423 123.223 122.820 -0.034 0.000 1.908 268 A HA -0.251 4.068 4.320 -0.001 0.000 0.218 268 A C 1.779 179.540 177.584 0.296 0.000 1.181 268 A CA 2.329 54.413 52.037 0.078 0.000 0.627 268 A CB -1.271 17.581 19.000 -0.246 0.000 0.818 268 A HN 0.729 nan 8.150 nan 0.000 0.445 269 N N 0.291 119.131 118.700 0.233 0.000 2.084 269 N HA -0.189 4.550 4.740 -0.001 0.000 0.190 269 N C 1.972 177.677 175.510 0.325 0.000 1.030 269 N CA 2.469 55.704 53.050 0.309 0.000 0.849 269 N CB -0.241 38.409 38.487 0.271 0.000 1.012 269 N HN 0.507 nan 8.380 nan 0.000 0.423 270 S N -0.361 115.536 115.700 0.327 0.000 2.383 270 S HA -0.099 4.370 4.470 -0.001 0.000 0.229 270 S C 2.132 177.018 174.600 0.477 0.000 1.030 270 S CA 1.073 59.505 58.200 0.387 0.000 1.002 270 S CB -0.842 62.662 63.200 0.507 0.000 0.829 270 S HN 0.442 nan 8.310 nan 0.000 0.467 271 A N 2.260 125.422 122.820 0.571 0.000 1.933 271 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 271 A C 2.591 180.436 177.584 0.435 0.000 1.175 271 A CA 2.309 54.724 52.037 0.629 0.000 0.628 271 A CB -1.818 17.536 19.000 0.590 0.000 0.814 271 A HN 0.841 nan 8.150 nan 0.000 0.444 272 T N -2.222 112.534 114.554 0.338 0.000 2.788 272 T HA 0.032 4.381 4.350 -0.001 0.000 0.268 272 T C 1.874 176.792 174.700 0.363 0.000 1.044 272 T CA 1.747 64.003 62.100 0.260 0.000 1.139 272 T CB -0.513 68.505 68.868 0.251 0.000 0.867 272 T HN 0.558 nan 8.240 nan 0.000 0.454 273 A N 0.490 123.477 122.820 0.279 0.000 1.897 273 A HA 0.238 4.557 4.320 -0.001 0.000 0.215 273 A C 2.000 179.632 177.584 0.081 0.000 1.181 273 A CA 0.848 52.968 52.037 0.138 0.000 0.620 273 A CB -1.024 17.968 19.000 -0.014 0.000 0.821 273 A HN 0.469 nan 8.150 nan 0.000 0.443 274 F N -1.654 118.260 119.950 -0.059 0.000 2.134 274 F HA -0.163 4.363 4.527 -0.001 0.000 0.299 274 F C 2.206 178.018 175.800 0.021 0.000 1.097 274 F CA 1.803 59.721 58.000 -0.135 0.000 1.264 274 F CB -0.749 38.014 39.000 -0.396 0.000 1.001 274 F HN 0.402 nan 8.300 nan 0.000 0.479 275 Y N -0.167 120.248 120.300 0.192 0.000 2.145 275 Y HA -0.284 4.265 4.550 -0.000 0.000 0.286 275 Y C 2.662 178.569 175.900 0.011 0.000 1.145 275 Y CA 2.096 60.248 58.100 0.087 0.000 1.148 275 Y CB -0.786 37.692 38.460 0.030 0.000 0.981 275 Y HN 0.077 nan 8.280 nan 0.000 0.507 276 H N -1.580 117.574 119.070 0.140 0.000 2.422 276 H HA -0.111 4.444 4.556 -0.001 0.000 0.298 276 H C 2.141 177.417 175.328 -0.087 0.000 1.098 276 H CA 1.313 57.370 56.048 0.015 0.000 1.315 276 H CB -0.410 29.355 29.762 0.006 0.000 1.382 276 H HN 0.438 nan 8.280 nan 0.000 0.523 277 G N -0.595 108.209 108.800 0.007 0.000 2.985 277 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.209 277 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.209 277 G C 0.205 175.040 174.900 -0.108 0.000 1.165 277 G CA 0.256 45.303 45.100 -0.089 0.000 0.776 277 G HN 0.397 nan 8.290 nan 0.000 0.541 278 N N -0.904 117.714 118.700 -0.137 0.000 2.725 278 N HA -0.184 4.555 4.740 -0.001 0.000 0.251 278 N C -0.691 174.776 175.510 -0.072 0.000 1.031 278 N CA 0.623 53.578 53.050 -0.158 0.000 0.720 278 N CB -1.301 37.104 38.487 -0.136 0.000 0.930 278 N HN 0.105 nan 8.380 nan 0.000 0.543 279 V N 1.800 121.705 119.914 -0.016 0.000 2.409 279 V HA 0.418 4.537 4.120 -0.001 0.000 0.291 279 V C 1.106 177.351 176.094 0.252 0.000 1.020 279 V CA -0.716 61.639 62.300 0.092 0.000 0.848 279 V CB 1.567 33.411 31.823 0.036 0.000 0.990 279 V HN 0.341 nan 8.190 nan 0.000 0.430 280 L N 4.506 125.868 121.223 0.232 0.000 3.762 280 L HA -0.282 4.057 4.340 -0.001 0.000 0.460 280 L C 1.823 178.877 176.870 0.306 0.000 1.255 280 L CA 0.385 55.399 54.840 0.290 0.000 0.783 280 L CB -1.097 41.230 42.059 0.446 0.000 1.600 280 L HN 0.785 nan 8.230 nan 0.000 0.862 281 Q N 0.237 120.154 119.800 0.195 0.000 2.124 281 Q HA -0.175 4.164 4.340 -0.001 0.000 0.202 281 Q C 2.138 178.334 176.000 0.325 0.000 0.977 281 Q CA 1.804 57.750 55.803 0.237 0.000 0.850 281 Q CB -0.006 28.724 28.738 -0.013 0.000 0.901 281 Q HN 0.843 nan 8.270 nan 0.000 0.429 282 G N 0.293 109.224 108.800 0.218 0.000 2.404 282 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.215 282 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.215 282 G C 1.520 176.533 174.900 0.187 0.000 1.174 282 G CA 0.831 46.041 45.100 0.183 0.000 0.780 282 G HN 0.212 nan 8.290 nan 0.000 0.537 283 V N 2.063 122.069 119.914 0.154 0.000 2.332 283 V HA -0.240 3.880 4.120 -0.001 0.000 0.248 283 V C 3.307 179.531 176.094 0.216 0.000 1.055 283 V CA 2.458 64.802 62.300 0.073 0.000 1.038 283 V CB -0.696 31.122 31.823 -0.008 0.000 0.651 283 V HN 0.632 nan 8.190 nan 0.000 0.450 284 S N 0.142 116.093 115.700 0.419 0.000 2.368 284 S HA -0.163 4.306 4.470 -0.001 0.000 0.225 284 S C 1.969 176.772 174.600 0.338 0.000 1.030 284 S CA 1.711 60.226 58.200 0.524 0.000 0.999 284 S CB -0.669 62.901 63.200 0.615 0.000 0.844 284 S HN 0.530 nan 8.310 nan 0.000 0.459 285 I N 0.304 121.035 120.570 0.267 0.000 2.179 285 I HA -0.100 4.069 4.170 -0.001 0.000 0.242 285 I C 2.389 178.606 176.117 0.166 0.000 1.088 285 I CA 1.697 63.080 61.300 0.138 0.000 1.357 285 I CB -0.427 37.634 38.000 0.101 0.000 1.051 285 I HN 0.256 nan 8.210 nan 0.000 0.409 286 F N 1.555 121.541 119.950 0.061 0.000 2.102 286 F HA -0.269 4.258 4.527 0.000 0.000 0.298 286 F C 2.525 178.352 175.800 0.046 0.000 1.105 286 F CA 1.660 59.676 58.000 0.027 0.000 1.239 286 F CB -0.231 38.740 39.000 -0.047 0.000 0.991 286 F HN 0.009 nan 8.300 nan 0.000 0.474 287 A N -0.210 122.770 122.820 0.267 0.000 1.902 287 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 287 A C 2.121 179.777 177.584 0.121 0.000 1.181 287 A CA 1.714 53.847 52.037 0.159 0.000 0.623 287 A CB -1.576 17.478 19.000 0.090 0.000 0.818 287 A HN 0.532 nan 8.150 nan 0.000 0.443 288 F N 0.413 120.364 119.950 0.000 0.000 2.134 288 F HA -0.135 4.390 4.527 -0.003 0.000 0.299 288 F C 2.275 178.001 175.800 -0.123 0.000 1.097 288 F CA 1.889 59.837 58.000 -0.087 0.000 1.264 288 F CB -0.129 38.773 39.000 -0.162 0.000 1.001 288 F HN 0.035 nan 8.300 nan 0.000 0.479 289 V N -0.054 119.865 119.914 0.009 0.000 2.307 289 V HA -0.291 3.828 4.120 -0.001 0.000 0.245 289 V C 2.167 178.147 176.094 -0.191 0.000 1.045 289 V CA 2.020 64.254 62.300 -0.109 0.000 1.024 289 V CB -0.964 30.777 31.823 -0.137 0.000 0.651 289 V HN 0.449 nan 8.190 nan 0.000 0.449 290 F N 1.356 121.086 119.950 -0.367 0.000 2.065 290 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 290 F C 2.619 178.275 175.800 -0.241 0.000 1.112 290 F CA 2.182 59.985 58.000 -0.328 0.000 1.212 290 F CB -0.346 38.493 39.000 -0.267 0.000 0.975 290 F HN 0.089 nan 8.300 nan 0.000 0.476 291 S N 0.521 116.178 115.700 -0.072 0.000 2.370 291 S HA -0.215 4.254 4.470 -0.001 0.000 0.226 291 S C 1.813 176.257 174.600 -0.259 0.000 1.033 291 S CA 1.398 59.496 58.200 -0.170 0.000 1.011 291 S CB -0.549 62.549 63.200 -0.169 0.000 0.852 291 S HN 0.496 nan 8.310 nan 0.000 0.457 292 N N 0.943 119.472 118.700 -0.285 0.000 2.142 292 N HA -0.039 4.700 4.740 -0.001 0.000 0.186 292 N C 1.787 177.189 175.510 -0.180 0.000 1.023 292 N CA 1.017 53.957 53.050 -0.184 0.000 0.852 292 N CB -0.305 38.112 38.487 -0.117 0.000 0.998 292 N HN 0.200 nan 8.380 nan 0.000 0.424 293 V N 1.952 121.715 119.914 -0.252 0.000 2.343 293 V HA -0.214 3.906 4.120 -0.001 0.000 0.247 293 V C 2.478 178.371 176.094 -0.335 0.000 1.051 293 V CA 1.254 63.391 62.300 -0.272 0.000 1.036 293 V CB -0.334 31.301 31.823 -0.314 0.000 0.654 293 V HN 0.265 nan 8.190 nan 0.000 0.451 294 M N -0.796 118.523 119.600 -0.468 0.000 2.117 294 M HA -0.079 4.400 4.480 -0.001 0.000 0.262 294 M C 2.186 178.278 176.300 -0.347 0.000 1.065 294 M CA 1.859 56.874 55.300 -0.475 0.000 1.114 294 M CB -1.002 31.239 32.600 -0.597 0.000 1.361 294 M HN 0.279 nan 8.290 nan 0.000 0.408 295 I N -0.428 119.979 120.570 -0.273 0.000 2.394 295 I HA -0.156 4.013 4.170 -0.001 0.000 0.251 295 I C 2.497 178.495 176.117 -0.198 0.000 1.136 295 I CA 1.076 62.233 61.300 -0.237 0.000 1.425 295 I CB -0.854 37.088 38.000 -0.097 0.000 1.079 295 I HN 0.318 nan 8.210 nan 0.000 0.425 296 G N 1.181 109.891 108.800 -0.151 0.000 2.418 296 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.217 296 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.217 296 G C 1.703 176.528 174.900 -0.124 0.000 1.158 296 G CA 0.427 45.466 45.100 -0.102 0.000 0.771 296 G HN 0.259 nan 8.290 nan 0.000 0.545 297 L N -0.161 120.951 121.223 -0.186 0.000 2.083 297 L HA 0.004 4.343 4.340 -0.001 0.000 0.209 297 L C 2.900 179.653 176.870 -0.195 0.000 1.083 297 L CA 0.469 55.198 54.840 -0.185 0.000 0.752 297 L CB -0.386 41.536 42.059 -0.227 0.000 0.899 297 L HN 0.191 nan 8.230 nan 0.000 0.433 298 L N -0.980 120.052 121.223 -0.319 0.000 2.046 298 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 298 L C 2.543 179.312 176.870 -0.168 0.000 1.077 298 L CA 0.924 55.471 54.840 -0.487 0.000 0.747 298 L CB -0.515 40.839 42.059 -1.175 0.000 0.896 298 L HN 0.053 nan 8.230 nan 0.000 0.432 299 V N 0.125 120.018 119.914 -0.035 0.000 2.295 299 V HA -0.300 3.819 4.120 -0.001 0.000 0.246 299 V C 2.379 178.569 176.094 0.159 0.000 1.049 299 V CA 1.726 64.165 62.300 0.230 0.000 1.024 299 V CB -0.381 31.547 31.823 0.175 0.000 0.648 299 V HN 0.345 nan 8.190 nan 0.000 0.447 300 L N -1.251 120.007 121.223 0.058 0.000 2.056 300 L HA -0.207 4.132 4.340 -0.001 0.000 0.207 300 L C 2.548 179.473 176.870 0.093 0.000 1.078 300 L CA 1.717 56.590 54.840 0.055 0.000 0.749 300 L CB -0.505 41.548 42.059 -0.009 0.000 0.901 300 L HN 0.309 nan 8.230 nan 0.000 0.433 301 M N -0.921 118.712 119.600 0.054 0.000 2.213 301 M HA -0.162 4.317 4.480 -0.001 0.000 0.263 301 M C 2.157 178.601 176.300 0.241 0.000 1.062 301 M CA 1.655 57.008 55.300 0.088 0.000 1.105 301 M CB -0.525 32.086 32.600 0.018 0.000 1.385 301 M HN 0.228 nan 8.290 nan 0.000 0.417 302 T N 0.632 115.361 114.554 0.292 0.000 2.904 302 T HA 0.010 4.359 4.350 -0.001 0.000 0.267 302 T C 1.706 176.568 174.700 0.271 0.000 1.059 302 T CA 0.938 63.276 62.100 0.396 0.000 1.137 302 T CB -0.075 69.141 68.868 0.580 0.000 0.879 302 T HN 0.300 nan 8.240 nan 0.000 0.467 303 I N -0.320 120.376 120.570 0.210 0.000 2.277 303 I HA -0.035 4.134 4.170 -0.001 0.000 0.243 303 I C 1.413 177.624 176.117 0.158 0.000 1.094 303 I CA 0.706 62.086 61.300 0.134 0.000 1.393 303 I CB -0.132 37.932 38.000 0.106 0.000 1.078 303 I HN 0.198 nan 8.210 nan 0.000 0.417 304 Y N 3.005 123.340 120.300 0.058 0.000 3.307 304 Y HA -0.133 4.415 4.550 -0.004 0.000 0.380 304 Y C 1.339 177.279 175.900 0.065 0.000 0.981 304 Y CA 0.781 58.910 58.100 0.048 0.000 1.956 304 Y CB -0.473 38.011 38.460 0.040 0.000 2.165 304 Y HN 0.081 nan 8.280 nan 0.000 0.420 305 K N -0.626 119.833 120.400 0.097 0.000 2.256 305 K HA -0.054 4.265 4.320 -0.001 0.000 0.130 305 K C 1.062 177.722 176.600 0.101 0.000 2.157 305 K CA 0.251 56.603 56.287 0.109 0.000 1.240 305 K CB -0.667 31.976 32.500 0.239 0.000 2.378 305 K HN 0.506 nan 8.250 nan 0.000 0.491 306 L N 1.746 123.026 121.223 0.095 0.000 2.191 306 L HA -0.116 4.223 4.340 -0.001 0.000 0.212 306 L C 2.044 178.907 176.870 -0.011 0.000 1.103 306 L CA 1.660 56.515 54.840 0.025 0.000 0.769 306 L CB -0.298 41.705 42.059 -0.094 0.000 0.908 306 L HN 0.258 nan 8.230 nan 0.000 0.438 307 T N -0.435 114.106 114.554 -0.021 0.000 2.595 307 T HA -0.186 4.164 4.350 -0.001 0.000 0.264 307 T C 1.715 176.377 174.700 -0.063 0.000 1.058 307 T CA 1.290 63.356 62.100 -0.056 0.000 1.166 307 T CB -0.001 68.807 68.868 -0.099 0.000 0.863 307 T HN 0.085 nan 8.240 nan 0.000 0.415 308 K N 0.714 121.069 120.400 -0.075 0.000 2.555 308 K HA 0.173 4.492 4.320 -0.001 0.000 0.193 308 K C 1.322 177.904 176.600 -0.030 0.000 1.032 308 K CA 0.473 56.719 56.287 -0.068 0.000 1.004 308 K CB -0.790 31.659 32.500 -0.085 0.000 0.804 308 K HN 0.556 nan 8.250 nan 0.000 0.496 309 G N 1.818 110.613 108.800 -0.008 0.000 2.256 309 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.272 309 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.272 309 G C 0.303 175.208 174.900 0.009 0.000 1.076 309 G CA 0.460 45.557 45.100 -0.005 0.000 0.882 309 G HN 0.458 nan 8.290 nan 0.000 0.497 310 Q N -1.722 118.113 119.800 0.059 0.000 2.214 310 Q HA 0.381 4.720 4.340 -0.001 0.000 0.229 310 Q C 1.174 177.231 176.000 0.096 0.000 0.835 310 Q CA -0.578 55.257 55.803 0.054 0.000 0.953 310 Q CB 0.843 29.616 28.738 0.059 0.000 1.131 310 Q HN 0.580 nan 8.270 nan 0.000 0.501 311 F N 0.000 119.952 119.950 0.003 0.000 2.286 311 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 311 F CA 0.000 58.023 58.000 0.039 0.000 1.383 311 F CB 0.000 39.020 39.000 0.033 0.000 1.145 311 F HN 0.000 nan 8.300 nan 0.000 0.574