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 3p6p_1_A DATA FIRST_RESID 8 DATA SEQUENCE NANLAPLPPH VPEHLVFDFD MYNPSNLSAG VQEAWAVLQE SNVPDLVWTR DATA SEQUENCE CNGGHWIATR GQLIREAYED YRHFSSECPF IPREAGEAYD FIPTSMDPPE DATA SEQUENCE QRQFRALANQ VVGMPVVDKL ENRIQELACS LIESLRPQGQ CNFTEDYAEP DATA SEQUENCE FPIRIFMLLA GLPEEDIPHL KYLTDQMTRP DGSMTFAEAK EALYDYLIPI DATA SEQUENCE IEQRRQKPGT DAISIVANGQ VNGRPITSDE AKRMCGLLLV GGLDTVVNFL DATA SEQUENCE SFSMEFLAKS PEHRQELIER PERIPAACEE LLRRFSLVAD GRILTSDYEF DATA SEQUENCE HGVQLKKGDQ ILLPQMLSGL DERENAAPMH VDFSRQKVSH TTFGHGSHLC DATA SEQUENCE LGQHLARREI IVTLKEWLTR IPDFSIAPGA QIQHKSGIVS GVQALPLVWD DATA SEQUENCE PATTKAV 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 8 N HA 0.000 nan 4.740 nan 0.000 0.220 8 N C 0.000 175.503 175.510 -0.012 0.000 1.280 8 N CA 0.000 53.044 53.050 -0.009 0.000 0.885 8 N CB 0.000 38.483 38.487 -0.006 0.000 1.341 9 A N 3.058 125.869 122.820 -0.015 0.000 2.268 9 A HA 0.003 4.330 4.320 0.011 0.000 0.221 9 A C 0.878 178.449 177.584 -0.021 0.000 1.287 9 A CA 0.308 52.332 52.037 -0.020 0.000 0.902 9 A CB -0.805 18.180 19.000 -0.024 0.000 0.877 9 A HN 0.805 nan 8.150 nan 0.000 0.487 10 N N -0.220 118.471 118.700 -0.015 0.000 2.689 10 N HA -0.197 4.550 4.740 0.011 0.000 0.263 10 N C -0.768 174.734 175.510 -0.013 0.000 0.987 10 N CA 0.913 53.956 53.050 -0.011 0.000 0.782 10 N CB -1.797 36.683 38.487 -0.012 0.000 0.903 10 N HN 0.539 nan 8.380 nan 0.000 0.547 11 L N -0.049 121.168 121.223 -0.011 0.000 2.282 11 L HA 0.619 4.966 4.340 0.011 0.000 0.288 11 L C 1.065 177.942 176.870 0.012 0.000 1.033 11 L CA -0.861 53.974 54.840 -0.008 0.000 0.807 11 L CB 1.552 43.603 42.059 -0.014 0.000 1.209 11 L HN 0.345 nan 8.230 nan 0.000 0.423 12 A N 5.142 127.980 122.820 0.030 0.000 2.407 12 A HA 0.491 4.818 4.320 0.011 0.000 0.248 12 A C -2.239 175.386 177.584 0.068 0.000 1.082 12 A CA -1.073 50.999 52.037 0.058 0.000 0.785 12 A CB -0.414 18.640 19.000 0.089 0.000 1.020 12 A HN 0.469 nan 8.150 nan 0.000 0.489 13 P HA 0.104 nan 4.420 nan 0.000 0.264 13 P C -0.345 176.962 177.300 0.012 0.000 1.193 13 P CA -0.158 62.955 63.100 0.021 0.000 0.763 13 P CB 0.228 31.935 31.700 0.012 0.000 0.810 14 L N 7.470 128.669 121.223 -0.040 0.000 2.562 14 L HA 0.163 4.510 4.340 0.011 0.000 0.271 14 L C -2.036 174.686 176.870 -0.246 0.000 1.167 14 L CA -1.263 53.477 54.840 -0.166 0.000 0.917 14 L CB -0.784 41.162 42.059 -0.188 0.000 1.187 14 L HN 0.314 nan 8.230 nan 0.000 0.482 15 P HA 0.106 nan 4.420 nan 0.000 0.266 15 P C -2.062 175.053 177.300 -0.309 0.000 1.195 15 P CA -0.916 62.008 63.100 -0.292 0.000 0.768 15 P CB 0.058 31.541 31.700 -0.362 0.000 0.838 16 P HA -0.198 nan 4.420 nan 0.000 0.219 16 P C 1.177 178.435 177.300 -0.070 0.000 1.146 16 P CA 1.545 64.596 63.100 -0.082 0.000 0.808 16 P CB -0.412 31.281 31.700 -0.012 0.000 0.779 17 H N -0.996 118.002 119.070 -0.120 0.000 2.547 17 H HA 0.080 4.643 4.556 0.011 0.000 0.272 17 H C 0.022 175.306 175.328 -0.073 0.000 0.989 17 H CA 0.232 56.242 56.048 -0.064 0.000 1.214 17 H CB -0.877 28.879 29.762 -0.010 0.000 1.389 17 H HN -0.089 nan 8.280 nan 0.000 0.577 18 V N 5.325 124.830 119.914 -0.682 0.000 2.385 18 V HA 0.216 4.342 4.120 0.011 0.000 0.269 18 V C -1.977 173.924 176.094 -0.322 0.000 1.043 18 V CA -1.635 60.301 62.300 -0.608 0.000 0.906 18 V CB 1.390 32.469 31.823 -1.241 0.000 0.995 18 V HN 0.245 nan 8.190 nan 0.000 0.467 19 P HA 0.241 nan 4.420 nan 0.000 0.275 19 P C 0.514 177.731 177.300 -0.138 0.000 1.227 19 P CA -0.254 62.795 63.100 -0.084 0.000 0.781 19 P CB 1.541 33.253 31.700 0.019 0.000 0.906 20 E N 1.246 121.405 120.200 -0.068 0.000 2.160 20 E HA -0.250 4.107 4.350 0.011 0.000 0.195 20 E C 1.829 178.387 176.600 -0.070 0.000 0.991 20 E CA 1.262 57.614 56.400 -0.079 0.000 0.810 20 E CB -0.392 29.281 29.700 -0.046 0.000 0.742 20 E HN 0.589 nan 8.360 nan 0.000 0.466 21 H N -0.256 118.804 119.070 -0.017 0.000 2.518 21 H HA -0.080 4.483 4.556 0.011 0.000 0.289 21 H C 1.509 176.895 175.328 0.097 0.000 1.051 21 H CA 0.891 56.947 56.048 0.012 0.000 1.280 21 H CB -0.196 29.593 29.762 0.044 0.000 1.380 21 H HN 0.251 nan 8.280 nan 0.000 0.566 22 L N 1.559 122.585 121.223 -0.328 0.000 2.592 22 L HA 0.146 4.492 4.340 0.011 0.000 0.227 22 L C 0.259 177.241 176.870 0.187 0.000 1.127 22 L CA -0.261 54.587 54.840 0.014 0.000 0.884 22 L CB 0.510 42.582 42.059 0.022 0.000 1.065 22 L HN -0.009 nan 8.230 nan 0.000 0.457 23 V N 0.767 120.642 119.914 -0.066 0.000 2.455 23 V HA 0.125 4.251 4.120 0.011 0.000 0.273 23 V C -0.503 175.364 176.094 -0.377 0.000 1.045 23 V CA 0.271 62.526 62.300 -0.076 0.000 0.976 23 V CB 0.435 32.198 31.823 -0.099 0.000 0.993 23 V HN 0.029 nan 8.190 nan 0.000 0.475 24 F N 2.402 122.370 119.950 0.029 0.000 2.745 24 F HA 0.354 4.888 4.527 0.012 0.000 0.343 24 F C 0.236 176.027 175.800 -0.015 0.000 1.196 24 F CA -0.850 57.157 58.000 0.012 0.000 1.021 24 F CB 1.611 40.620 39.000 0.014 0.000 1.297 24 F HN 0.427 nan 8.300 nan 0.000 0.486 25 D N 4.114 124.561 120.400 0.079 0.000 2.688 25 D HA -0.004 4.642 4.640 0.011 0.000 0.228 25 D C -0.251 176.061 176.300 0.020 0.000 1.116 25 D CA 0.237 54.238 54.000 0.002 0.000 1.023 25 D CB -0.100 40.678 40.800 -0.037 0.000 1.100 25 D HN 0.211 nan 8.370 nan 0.000 0.487 26 F N 1.726 121.602 119.950 -0.124 0.000 2.427 26 F HA 0.138 4.672 4.527 0.012 0.000 0.352 26 F C 0.399 176.071 175.800 -0.214 0.000 1.100 26 F CA -0.696 57.196 58.000 -0.181 0.000 1.191 26 F CB 0.910 39.777 39.000 -0.222 0.000 1.128 26 F HN -0.132 nan 8.300 nan 0.000 0.533 27 D N 7.255 127.141 120.400 -0.857 0.000 2.454 27 D HA 0.108 4.755 4.640 0.011 0.000 0.225 27 D C 0.929 176.670 176.300 -0.933 0.000 1.081 27 D CA -0.438 53.191 54.000 -0.617 0.000 0.864 27 D CB 0.941 41.520 40.800 -0.368 0.000 1.040 27 D HN 0.750 nan 8.370 nan 0.000 0.517 28 M N 1.997 121.212 119.600 -0.642 0.000 2.358 28 M HA -0.117 4.370 4.480 0.011 0.000 0.264 28 M C 0.251 176.265 176.300 -0.477 0.000 1.064 28 M CA 1.273 56.221 55.300 -0.587 0.000 1.093 28 M CB -0.222 32.221 32.600 -0.262 0.000 1.401 28 M HN 0.187 nan 8.290 nan 0.000 0.440 29 Y N 0.239 120.453 120.300 -0.143 0.000 2.500 29 Y HA 0.256 4.813 4.550 0.012 0.000 0.270 29 Y C 0.488 176.332 175.900 -0.094 0.000 1.134 29 Y CA 0.012 58.069 58.100 -0.071 0.000 1.293 29 Y CB 0.274 38.693 38.460 -0.069 0.000 1.063 29 Y HN 0.432 nan 8.280 nan 0.000 0.534 30 N N 0.216 118.860 118.700 -0.092 0.000 2.700 30 N HA 0.171 4.917 4.740 0.011 0.000 0.242 30 N C -3.301 172.061 175.510 -0.247 0.000 1.541 30 N CA -1.690 51.297 53.050 -0.104 0.000 0.764 30 N CB 0.742 39.196 38.487 -0.054 0.000 1.319 30 N HN -0.224 nan 8.380 nan 0.000 0.518 31 P HA 0.114 nan 4.420 nan 0.000 0.271 31 P C 0.903 178.077 177.300 -0.209 0.000 1.216 31 P CA -0.068 62.734 63.100 -0.498 0.000 0.771 31 P CB 1.196 32.591 31.700 -0.508 0.000 0.864 32 S N 1.880 117.474 115.700 -0.176 0.000 2.419 32 S HA -0.188 4.289 4.470 0.011 0.000 0.235 32 S C 1.251 175.838 174.600 -0.021 0.000 1.019 32 S CA 1.205 59.360 58.200 -0.075 0.000 0.982 32 S CB -0.849 62.321 63.200 -0.051 0.000 0.789 32 S HN 0.408 nan 8.310 nan 0.000 0.490 33 N N 0.457 119.161 118.700 0.006 0.000 2.295 33 N HA 0.287 5.033 4.740 0.011 0.000 0.221 33 N C 0.894 176.440 175.510 0.059 0.000 1.129 33 N CA -0.148 52.925 53.050 0.039 0.000 0.836 33 N CB -0.171 38.352 38.487 0.060 0.000 1.040 33 N HN 0.287 nan 8.380 nan 0.000 0.494 34 L N 0.537 121.791 121.223 0.052 0.000 2.043 34 L HA -0.189 4.157 4.340 0.011 0.000 0.212 34 L C 2.170 179.083 176.870 0.073 0.000 1.075 34 L CA 1.880 56.776 54.840 0.093 0.000 0.752 34 L CB -1.095 41.014 42.059 0.083 0.000 0.891 34 L HN 0.318 nan 8.230 nan 0.000 0.432 35 S N -0.943 114.777 115.700 0.034 0.000 2.440 35 S HA -0.122 4.355 4.470 0.011 0.000 0.238 35 S C 1.920 176.512 174.600 -0.014 0.000 1.010 35 S CA 0.773 58.974 58.200 0.002 0.000 0.972 35 S CB -0.892 62.309 63.200 0.003 0.000 0.774 35 S HN 0.480 nan 8.310 nan 0.000 0.501 36 A N 1.124 123.955 122.820 0.018 0.000 2.235 36 A HA 0.555 4.882 4.320 0.011 0.000 0.208 36 A C 1.189 178.798 177.584 0.042 0.000 1.172 36 A CA 0.385 52.438 52.037 0.026 0.000 0.786 36 A CB -0.979 18.047 19.000 0.043 0.000 0.804 36 A HN 1.642 nan 8.150 nan 0.000 0.479 37 G N -2.417 106.408 108.800 0.043 0.000 2.742 37 G HA2 0.090 4.057 3.960 0.011 0.000 0.686 37 G HA3 0.090 4.057 3.960 0.011 0.000 0.686 37 G C 0.372 175.463 174.900 0.317 0.000 1.220 37 G CA -0.167 45.021 45.100 0.146 0.000 0.783 37 G HN 0.878 nan 8.290 nan 0.000 0.646 38 V N 1.569 121.818 119.914 0.560 0.000 2.358 38 V HA -0.127 4.000 4.120 0.011 0.000 0.246 38 V C 2.693 179.007 176.094 0.366 0.000 1.047 38 V CA 3.286 65.858 62.300 0.453 0.000 1.035 38 V CB -0.359 31.734 31.823 0.449 0.000 0.658 38 V HN 0.819 nan 8.190 nan 0.000 0.452 39 Q N 0.171 120.056 119.800 0.141 0.000 2.061 39 Q HA -0.251 4.096 4.340 0.011 0.000 0.204 39 Q C 2.077 178.153 176.000 0.126 0.000 0.984 39 Q CA 2.456 58.279 55.803 0.033 0.000 0.846 39 Q CB -0.390 28.269 28.738 -0.132 0.000 0.902 39 Q HN 0.714 nan 8.270 nan 0.000 0.421 40 E N 0.175 120.452 120.200 0.128 0.000 2.085 40 E HA -0.190 4.167 4.350 0.011 0.000 0.194 40 E C 1.844 178.538 176.600 0.157 0.000 0.994 40 E CA 1.397 57.864 56.400 0.113 0.000 0.801 40 E CB -0.396 29.364 29.700 0.100 0.000 0.743 40 E HN 0.426 nan 8.360 nan 0.000 0.453 41 A N -0.242 122.716 122.820 0.229 0.000 1.930 41 A HA -0.156 4.171 4.320 0.011 0.000 0.217 41 A C 1.749 179.506 177.584 0.288 0.000 1.175 41 A CA 1.249 53.425 52.037 0.232 0.000 0.627 41 A CB -0.886 18.254 19.000 0.233 0.000 0.815 41 A HN 0.364 nan 8.150 nan 0.000 0.443 42 W N -0.435 120.950 121.300 0.142 0.000 2.436 42 W HA 0.181 4.848 4.660 0.013 0.000 0.284 42 W C 2.547 178.999 176.519 -0.112 0.000 1.225 42 W CA 0.889 58.251 57.345 0.028 0.000 1.271 42 W CB -0.213 29.242 29.460 -0.009 0.000 1.114 42 W HN 0.342 nan 8.180 nan 0.000 0.559 43 A N 0.452 123.366 122.820 0.158 0.000 2.172 43 A HA -0.068 4.259 4.320 0.011 0.000 0.216 43 A C 1.968 179.547 177.584 -0.008 0.000 1.154 43 A CA 1.527 53.587 52.037 0.040 0.000 0.701 43 A CB -1.181 17.831 19.000 0.021 0.000 0.789 43 A HN 0.251 nan 8.150 nan 0.000 0.465 44 V N -2.239 117.678 119.914 0.005 0.000 2.720 44 V HA -0.169 3.958 4.120 0.011 0.000 0.256 44 V C 1.871 177.905 176.094 -0.100 0.000 1.082 44 V CA 1.878 64.166 62.300 -0.020 0.000 1.101 44 V CB -0.925 30.919 31.823 0.035 0.000 0.693 44 V HN 0.467 nan 8.190 nan 0.000 0.479 45 L N -0.342 120.773 121.223 -0.180 0.000 2.551 45 L HA 0.036 4.383 4.340 0.011 0.000 0.228 45 L C 2.433 179.183 176.870 -0.199 0.000 1.153 45 L CA 1.045 55.728 54.840 -0.261 0.000 0.851 45 L CB -0.405 41.429 42.059 -0.374 0.000 0.959 45 L HN 0.416 nan 8.230 nan 0.000 0.451 46 Q N -0.627 119.092 119.800 -0.135 0.000 2.219 46 Q HA 0.129 4.476 4.340 0.011 0.000 0.209 46 Q C -0.090 175.854 176.000 -0.093 0.000 0.854 46 Q CA -0.179 55.558 55.803 -0.109 0.000 0.960 46 Q CB 0.679 29.369 28.738 -0.081 0.000 1.116 46 Q HN 0.473 nan 8.270 nan 0.000 0.500 47 E N 0.644 120.787 120.200 -0.096 0.000 2.408 47 E HA -0.016 4.341 4.350 0.011 0.000 0.259 47 E C 0.860 177.411 176.600 -0.082 0.000 1.110 47 E CA 0.302 56.659 56.400 -0.071 0.000 0.929 47 E CB 0.802 30.471 29.700 -0.051 0.000 0.971 47 E HN 0.148 nan 8.360 nan 0.000 0.438 48 S N 1.628 117.296 115.700 -0.053 0.000 2.447 48 S HA -0.161 4.316 4.470 0.011 0.000 0.233 48 S C 1.144 175.719 174.600 -0.042 0.000 1.006 48 S CA 1.078 59.251 58.200 -0.045 0.000 0.957 48 S CB -0.211 62.973 63.200 -0.027 0.000 0.773 48 S HN 0.613 nan 8.310 nan 0.000 0.507 49 N N 1.248 119.927 118.700 -0.036 0.000 2.322 49 N HA 0.081 4.828 4.740 0.011 0.000 0.194 49 N C -0.330 175.133 175.510 -0.079 0.000 1.126 49 N CA -0.099 52.947 53.050 -0.006 0.000 0.845 49 N CB -0.194 38.323 38.487 0.051 0.000 0.976 49 N HN 0.343 nan 8.380 nan 0.000 0.475 50 V N 1.967 121.754 119.914 -0.212 0.000 2.370 50 V HA 0.367 4.494 4.120 0.011 0.000 0.279 50 V C -2.031 173.900 176.094 -0.271 0.000 1.029 50 V CA -1.659 60.358 62.300 -0.471 0.000 0.870 50 V CB 1.246 32.739 31.823 -0.551 0.000 0.984 50 V HN 0.037 nan 8.190 nan 0.000 0.451 51 P HA 0.127 nan 4.420 nan 0.000 0.270 51 P C 0.335 177.580 177.300 -0.091 0.000 1.227 51 P CA -0.200 62.865 63.100 -0.058 0.000 0.788 51 P CB 0.676 32.418 31.700 0.071 0.000 0.926 52 D N -0.444 119.914 120.400 -0.070 0.000 2.218 52 D HA -0.047 4.599 4.640 0.011 0.000 0.204 52 D C 0.411 176.673 176.300 -0.064 0.000 0.976 52 D CA 1.456 55.396 54.000 -0.101 0.000 0.853 52 D CB -0.111 40.596 40.800 -0.155 0.000 0.939 52 D HN 0.078 nan 8.370 nan 0.000 0.481 53 L N 0.525 121.746 121.223 -0.002 0.000 2.439 53 L HA 0.360 4.707 4.340 0.011 0.000 0.270 53 L C -0.874 176.129 176.870 0.222 0.000 0.972 53 L CA -1.020 53.873 54.840 0.089 0.000 0.836 53 L CB 1.920 44.001 42.059 0.037 0.000 1.255 53 L HN -0.154 nan 8.230 nan 0.000 0.404 54 V N 1.507 121.612 119.914 0.320 0.000 3.074 54 V HA 0.675 4.801 4.120 0.011 0.000 0.314 54 V C -1.298 175.111 176.094 0.524 0.000 1.117 54 V CA -0.795 61.748 62.300 0.405 0.000 1.014 54 V CB 2.114 34.089 31.823 0.253 0.000 1.057 54 V HN 0.931 nan 8.190 nan 0.000 0.438 55 W N 2.128 123.511 121.300 0.139 0.000 2.475 55 W HA 0.652 5.319 4.660 0.011 0.000 0.317 55 W C -0.841 175.569 176.519 -0.182 0.000 1.046 55 W CA -0.204 56.998 57.345 -0.238 0.000 1.215 55 W CB 1.930 31.020 29.460 -0.617 0.000 1.335 55 W HN 0.867 nan 8.180 nan 0.000 0.471 56 T N 5.276 119.365 114.554 -0.774 0.000 2.824 56 T HA 0.366 4.723 4.350 0.011 0.000 0.280 56 T C 0.940 175.156 174.700 -0.807 0.000 0.995 56 T CA -0.444 61.300 62.100 -0.593 0.000 1.009 56 T CB 1.131 69.709 68.868 -0.483 0.000 0.955 56 T HN 0.626 nan 8.240 nan 0.000 0.452 57 R N 2.003 122.328 120.500 -0.292 0.000 2.310 57 R HA 0.197 4.544 4.340 0.011 0.000 0.202 57 R C 0.583 176.803 176.300 -0.133 0.000 0.933 57 R CA -0.183 55.849 56.100 -0.113 0.000 1.054 57 R CB -0.302 30.026 30.300 0.048 0.000 0.985 57 R HN 0.551 nan 8.270 nan 0.000 0.489 58 C N 1.259 120.447 119.300 -0.187 0.000 2.656 58 C HA 0.101 4.567 4.460 0.011 0.000 0.391 58 C C 0.875 175.844 174.990 -0.036 0.000 1.300 58 C CA -0.432 58.526 59.018 -0.099 0.000 2.302 58 C CB 0.010 27.688 27.740 -0.103 0.000 2.655 58 C HN 0.683 nan 8.230 nan 0.000 0.656 59 N N 0.454 119.173 118.700 0.031 0.000 2.727 59 N HA -0.144 4.603 4.740 0.011 0.000 0.249 59 N C 0.708 176.272 175.510 0.090 0.000 1.048 59 N CA 0.941 54.046 53.050 0.093 0.000 0.714 59 N CB -1.196 37.407 38.487 0.192 0.000 0.959 59 N HN 1.379 nan 8.380 nan 0.000 0.544 60 G N -1.904 106.925 108.800 0.049 0.000 2.241 60 G HA2 0.104 4.071 3.960 0.011 0.000 0.244 60 G HA3 0.104 4.071 3.960 0.011 0.000 0.244 60 G C 0.564 175.498 174.900 0.057 0.000 0.998 60 G CA 0.354 45.491 45.100 0.061 0.000 0.621 60 G HN 1.636 nan 8.290 nan 0.000 0.519 61 G N -0.725 108.037 108.800 -0.063 0.000 3.209 61 G HA2 0.577 4.543 3.960 0.011 0.000 0.686 61 G HA3 0.577 4.543 3.960 0.011 0.000 0.686 61 G C -0.563 173.908 174.900 -0.715 0.000 1.065 61 G CA 0.600 45.480 45.100 -0.365 0.000 0.812 61 G HN 2.875 nan 8.290 nan 0.000 0.573 62 H N -1.753 116.332 119.070 -1.640 0.000 3.043 62 H HA 0.600 5.163 4.556 0.011 0.000 0.317 62 H C -0.618 174.060 175.328 -1.082 0.000 1.321 62 H CA -1.565 53.811 56.048 -1.121 0.000 1.243 62 H CB 0.054 29.591 29.762 -0.374 0.000 1.924 62 H HN 0.687 nan 8.280 nan 0.000 0.527 63 W N 1.448 122.646 121.300 -0.171 0.000 2.161 63 W HA 0.575 5.242 4.660 0.012 0.000 0.344 63 W C -0.175 176.401 176.519 0.096 0.000 1.262 63 W CA -0.500 56.886 57.345 0.069 0.000 1.270 63 W CB 0.742 30.362 29.460 0.267 0.000 1.126 63 W HN 0.460 nan 8.180 nan 0.000 0.598 64 I N 2.379 123.159 120.570 0.350 0.000 2.534 64 I HA 0.385 4.562 4.170 0.011 0.000 0.288 64 I C -0.306 175.904 176.117 0.154 0.000 1.077 64 I CA -1.218 60.207 61.300 0.208 0.000 1.051 64 I CB 1.505 39.556 38.000 0.085 0.000 1.234 64 I HN 0.419 nan 8.210 nan 0.000 0.425 65 A N 3.247 126.122 122.820 0.092 0.000 2.309 65 A HA 0.514 4.841 4.320 0.011 0.000 0.290 65 A C 0.913 178.490 177.584 -0.011 0.000 1.206 65 A CA -0.144 51.911 52.037 0.031 0.000 0.850 65 A CB 0.186 19.184 19.000 -0.004 0.000 1.118 65 A HN 0.873 nan 8.150 nan 0.000 0.523 66 T N -0.212 114.313 114.554 -0.048 0.000 3.040 66 T HA 0.244 4.600 4.350 0.011 0.000 0.250 66 T C 0.636 175.288 174.700 -0.081 0.000 1.058 66 T CA -0.042 62.011 62.100 -0.079 0.000 0.988 66 T CB 0.103 68.895 68.868 -0.126 0.000 0.993 66 T HN 0.521 nan 8.240 nan 0.000 0.519 67 R N 0.296 120.745 120.500 -0.086 0.000 2.740 67 R HA 0.591 4.938 4.340 0.011 0.000 0.282 67 R C 1.520 177.769 176.300 -0.085 0.000 0.969 67 R CA -0.299 55.745 56.100 -0.092 0.000 0.918 67 R CB 1.145 31.376 30.300 -0.116 0.000 1.175 67 R HN 0.206 nan 8.270 nan 0.000 0.464 68 G N 1.127 109.882 108.800 -0.076 0.000 2.513 68 G HA2 -0.369 3.597 3.960 0.011 0.000 0.219 68 G HA3 -0.369 3.597 3.960 0.011 0.000 0.219 68 G C 1.105 175.958 174.900 -0.079 0.000 1.160 68 G CA 1.149 46.206 45.100 -0.072 0.000 0.767 68 G HN 0.670 nan 8.290 nan 0.000 0.571 69 Q N -0.624 119.121 119.800 -0.092 0.000 2.062 69 Q HA -0.156 4.191 4.340 0.011 0.000 0.209 69 Q C 2.543 178.489 176.000 -0.090 0.000 0.996 69 Q CA 1.624 57.372 55.803 -0.092 0.000 0.859 69 Q CB -0.218 28.448 28.738 -0.120 0.000 0.920 69 Q HN 0.412 nan 8.270 nan 0.000 0.415 70 L N 0.129 121.254 121.223 -0.162 0.000 2.072 70 L HA -0.130 4.217 4.340 0.011 0.000 0.205 70 L C 2.193 179.078 176.870 0.024 0.000 1.079 70 L CA 1.285 56.066 54.840 -0.099 0.000 0.752 70 L CB -0.455 41.489 42.059 -0.192 0.000 0.906 70 L HN 0.317 nan 8.230 nan 0.000 0.436 71 I N -0.887 119.664 120.570 -0.032 0.000 2.127 71 I HA -0.370 3.807 4.170 0.011 0.000 0.241 71 I C 2.692 178.846 176.117 0.062 0.000 1.075 71 I CA 1.374 62.657 61.300 -0.029 0.000 1.334 71 I CB -0.337 37.678 38.000 0.025 0.000 1.040 71 I HN 0.197 nan 8.210 nan 0.000 0.405 72 R N 0.505 121.031 120.500 0.042 0.000 2.083 72 R HA -0.196 4.150 4.340 0.011 0.000 0.237 72 R C 2.286 178.731 176.300 0.242 0.000 1.137 72 R CA 1.711 57.831 56.100 0.033 0.000 0.951 72 R CB -0.313 29.851 30.300 -0.227 0.000 0.851 72 R HN 0.442 nan 8.270 nan 0.000 0.434 73 E N 0.023 120.339 120.200 0.193 0.000 2.051 73 E HA -0.196 4.161 4.350 0.011 0.000 0.192 73 E C 2.042 178.787 176.600 0.241 0.000 0.991 73 E CA 1.223 57.801 56.400 0.296 0.000 0.799 73 E CB -0.110 29.841 29.700 0.418 0.000 0.748 73 E HN 0.382 nan 8.360 nan 0.000 0.449 74 A N 0.474 123.287 122.820 -0.012 0.000 1.933 74 A HA -0.184 4.143 4.320 0.011 0.000 0.218 74 A C 1.825 179.277 177.584 -0.220 0.000 1.175 74 A CA 1.201 52.887 52.037 -0.584 0.000 0.628 74 A CB -0.718 17.459 19.000 -1.372 0.000 0.814 74 A HN 0.261 nan 8.150 nan 0.000 0.444 75 Y N 0.465 120.792 120.300 0.045 0.000 2.333 75 Y HA -0.128 4.429 4.550 0.012 0.000 0.290 75 Y C 2.356 178.392 175.900 0.226 0.000 1.144 75 Y CA 1.443 59.643 58.100 0.165 0.000 1.228 75 Y CB -0.359 38.234 38.460 0.221 0.000 0.985 75 Y HN 0.491 nan 8.280 nan 0.000 0.542 76 E N -0.787 119.645 120.200 0.387 0.000 2.107 76 E HA -0.148 4.209 4.350 0.011 0.000 0.191 76 E C 0.501 177.269 176.600 0.281 0.000 0.982 76 E CA 0.977 57.554 56.400 0.296 0.000 0.809 76 E CB 0.006 29.867 29.700 0.269 0.000 0.756 76 E HN 0.135 nan 8.360 nan 0.000 0.459 77 D N 0.205 120.770 120.400 0.275 0.000 2.631 77 D HA -0.021 4.626 4.640 0.011 0.000 0.227 77 D C 0.377 176.774 176.300 0.162 0.000 1.146 77 D CA -0.356 53.751 54.000 0.179 0.000 1.009 77 D CB -0.183 40.815 40.800 0.330 0.000 1.057 77 D HN 0.218 nan 8.370 nan 0.000 0.509 78 Y N 0.660 121.055 120.300 0.158 0.000 2.497 78 Y HA 0.065 4.621 4.550 0.010 0.000 0.292 78 Y C 1.819 177.729 175.900 0.016 0.000 1.137 78 Y CA 0.416 58.597 58.100 0.136 0.000 1.285 78 Y CB -0.284 38.259 38.460 0.137 0.000 0.991 78 Y HN 0.040 nan 8.280 nan 0.000 0.556 79 R N -0.247 119.912 120.500 -0.568 0.000 2.092 79 R HA -0.085 4.262 4.340 0.011 0.000 0.231 79 R C 1.437 177.412 176.300 -0.542 0.000 1.119 79 R CA 1.880 57.671 56.100 -0.515 0.000 0.970 79 R CB -0.395 29.506 30.300 -0.666 0.000 0.864 79 R HN 0.571 nan 8.270 nan 0.000 0.440 80 H N -1.989 116.802 119.070 -0.465 0.000 2.486 80 H HA 0.103 4.666 4.556 0.011 0.000 0.287 80 H C -0.274 174.613 175.328 -0.734 0.000 1.010 80 H CA 0.343 55.939 56.048 -0.754 0.000 1.324 80 H CB 0.470 29.417 29.762 -1.359 0.000 1.446 80 H HN -0.039 nan 8.280 nan 0.000 0.537 81 F N 0.962 120.899 119.950 -0.022 0.000 2.359 81 F HA 0.288 4.822 4.527 0.012 0.000 0.370 81 F C 0.137 175.975 175.800 0.064 0.000 1.077 81 F CA -0.784 57.214 58.000 -0.004 0.000 1.136 81 F CB 1.264 40.222 39.000 -0.070 0.000 1.387 81 F HN -0.118 nan 8.300 nan 0.000 0.468 82 S N 0.927 116.734 115.700 0.178 0.000 2.586 82 S HA 0.260 4.737 4.470 0.011 0.000 0.274 82 S C 1.084 175.771 174.600 0.145 0.000 1.281 82 S CA -0.463 57.836 58.200 0.165 0.000 1.035 82 S CB 1.153 64.415 63.200 0.104 0.000 0.962 82 S HN 0.504 nan 8.310 nan 0.000 0.512 83 S N 3.066 118.846 115.700 0.133 0.000 2.603 83 S HA 0.046 4.522 4.470 0.011 0.000 0.220 83 S C 1.488 176.104 174.600 0.028 0.000 0.967 83 S CA -0.012 58.212 58.200 0.040 0.000 0.920 83 S CB -0.197 62.967 63.200 -0.060 0.000 0.773 83 S HN 0.794 nan 8.310 nan 0.000 0.529 84 E N 0.190 120.424 120.200 0.058 0.000 2.130 84 E HA -0.173 4.184 4.350 0.011 0.000 0.196 84 E C 0.666 177.286 176.600 0.034 0.000 0.998 84 E CA 0.798 57.227 56.400 0.047 0.000 0.806 84 E CB 0.034 29.765 29.700 0.052 0.000 0.738 84 E HN 0.367 nan 8.360 nan 0.000 0.459 85 C N 1.452 120.765 119.300 0.022 0.000 3.002 85 C HA 0.306 4.773 4.460 0.011 0.000 0.248 85 C C -1.994 172.962 174.990 -0.057 0.000 1.153 85 C CA -1.615 57.403 59.018 -0.000 0.000 1.502 85 C CB 0.371 28.137 27.740 0.044 0.000 1.805 85 C HN 0.168 nan 8.230 nan 0.000 0.450 86 P HA 0.187 nan 4.420 nan 0.000 0.251 86 P C -0.135 177.079 177.300 -0.143 0.000 1.223 86 P CA 0.441 63.386 63.100 -0.258 0.000 0.796 86 P CB 0.211 31.625 31.700 -0.476 0.000 1.068 87 F N -0.010 119.841 119.950 -0.166 0.000 2.522 87 F HA 0.461 4.995 4.527 0.011 0.000 0.324 87 F C 0.728 176.447 175.800 -0.136 0.000 1.077 87 F CA -2.348 55.533 58.000 -0.199 0.000 0.944 87 F CB 0.834 39.637 39.000 -0.328 0.000 1.175 87 F HN -0.362 nan 8.300 nan 0.000 0.468 88 I N 4.682 125.297 120.570 0.075 0.000 2.392 88 I HA 0.365 4.542 4.170 0.011 0.000 0.295 88 I C -2.069 174.105 176.117 0.096 0.000 0.985 88 I CA -1.873 59.421 61.300 -0.011 0.000 1.221 88 I CB 1.797 39.637 38.000 -0.267 0.000 1.366 88 I HN 0.362 nan 8.210 nan 0.000 0.467 89 P HA 0.189 nan 4.420 nan 0.000 0.276 89 P C 0.373 177.700 177.300 0.045 0.000 1.252 89 P CA -0.553 62.573 63.100 0.042 0.000 0.802 89 P CB 0.921 32.636 31.700 0.025 0.000 1.035 90 R N 0.563 121.096 120.500 0.055 0.000 2.119 90 R HA -0.238 4.108 4.340 0.011 0.000 0.246 90 R C 1.650 177.995 176.300 0.074 0.000 1.146 90 R CA 2.086 58.226 56.100 0.068 0.000 0.962 90 R CB -0.274 30.072 30.300 0.077 0.000 0.863 90 R HN 0.429 nan 8.270 nan 0.000 0.442 91 E N -0.143 120.099 120.200 0.069 0.000 2.110 91 E HA -0.122 4.235 4.350 0.011 0.000 0.193 91 E C 1.766 178.444 176.600 0.129 0.000 0.988 91 E CA 1.411 57.862 56.400 0.085 0.000 0.804 91 E CB -0.200 29.541 29.700 0.068 0.000 0.745 91 E HN 0.485 nan 8.360 nan 0.000 0.458 92 A N 0.531 123.413 122.820 0.102 0.000 1.898 92 A HA -0.006 4.321 4.320 0.011 0.000 0.216 92 A C 2.451 180.146 177.584 0.186 0.000 1.181 92 A CA 1.597 53.703 52.037 0.114 0.000 0.620 92 A CB -1.180 17.733 19.000 -0.146 0.000 0.819 92 A HN 0.345 nan 8.150 nan 0.000 0.442 93 G N -0.300 108.571 108.800 0.119 0.000 2.440 93 G HA2 -0.237 3.730 3.960 0.011 0.000 0.218 93 G HA3 -0.237 3.730 3.960 0.011 0.000 0.218 93 G C 1.433 176.394 174.900 0.102 0.000 1.154 93 G CA 1.055 46.182 45.100 0.046 0.000 0.767 93 G HN 0.655 nan 8.290 nan 0.000 0.552 94 E N 0.501 120.771 120.200 0.117 0.000 2.072 94 E HA -0.029 4.328 4.350 0.011 0.000 0.191 94 E C 2.926 179.605 176.600 0.132 0.000 0.985 94 E CA 0.747 57.211 56.400 0.107 0.000 0.801 94 E CB -0.195 29.559 29.700 0.089 0.000 0.750 94 E HN 0.410 nan 8.360 nan 0.000 0.452 95 A N 0.934 123.868 122.820 0.190 0.000 2.019 95 A HA -0.160 4.167 4.320 0.011 0.000 0.219 95 A C 0.923 178.622 177.584 0.191 0.000 1.164 95 A CA 0.496 52.643 52.037 0.183 0.000 0.644 95 A CB -0.583 18.560 19.000 0.238 0.000 0.805 95 A HN 0.350 nan 8.150 nan 0.000 0.449 96 Y N 1.845 122.242 120.300 0.162 0.000 2.569 96 Y HA 0.205 4.762 4.550 0.011 0.000 0.332 96 Y C 0.422 176.298 175.900 -0.039 0.000 1.120 96 Y CA 0.088 58.233 58.100 0.075 0.000 1.416 96 Y CB 0.564 38.994 38.460 -0.050 0.000 1.210 96 Y HN 0.445 nan 8.280 nan 0.000 0.528 97 D N 4.324 124.448 120.400 -0.459 0.000 2.582 97 D HA 0.016 4.663 4.640 0.011 0.000 0.246 97 D C -0.521 175.655 176.300 -0.207 0.000 1.334 97 D CA -0.316 53.528 54.000 -0.260 0.000 0.805 97 D CB -0.565 40.194 40.800 -0.069 0.000 1.087 97 D HN 0.155 nan 8.370 nan 0.000 0.499 98 F N 1.385 120.930 119.950 -0.675 0.000 2.595 98 F HA 0.255 4.789 4.527 0.011 0.000 0.359 98 F C 1.216 176.866 175.800 -0.250 0.000 1.147 98 F CA -0.846 56.922 58.000 -0.387 0.000 1.341 98 F CB 0.319 39.092 39.000 -0.378 0.000 1.104 98 F HN -0.101 nan 8.300 nan 0.000 0.603 99 I N 4.761 125.344 120.570 0.021 0.000 2.433 99 I HA 0.218 4.395 4.170 0.011 0.000 0.292 99 I C -1.871 174.255 176.117 0.015 0.000 1.001 99 I CA -1.712 59.544 61.300 -0.074 0.000 1.119 99 I CB 2.447 40.285 38.000 -0.271 0.000 1.289 99 I HN 0.311 nan 8.210 nan 0.000 0.438 100 P HA 0.059 nan 4.420 nan 0.000 0.267 100 P C 1.169 178.606 177.300 0.228 0.000 1.289 100 P CA 0.152 63.312 63.100 0.101 0.000 0.866 100 P CB 0.035 31.821 31.700 0.144 0.000 1.309 101 T N -2.679 112.007 114.554 0.221 0.000 2.929 101 T HA -0.124 4.232 4.350 0.011 0.000 0.271 101 T C 1.622 176.383 174.700 0.102 0.000 1.085 101 T CA 1.572 63.777 62.100 0.176 0.000 1.125 101 T CB -1.072 67.978 68.868 0.304 0.000 0.874 101 T HN 0.208 nan 8.240 nan 0.000 0.494 102 S N -0.114 115.650 115.700 0.106 0.000 2.575 102 S HA 0.412 4.889 4.470 0.011 0.000 0.215 102 S C 0.434 175.063 174.600 0.049 0.000 0.966 102 S CA -0.699 57.537 58.200 0.061 0.000 0.911 102 S CB -0.517 62.668 63.200 -0.024 0.000 0.780 102 S HN 0.467 nan 8.310 nan 0.000 0.514 103 M N 1.781 121.442 119.600 0.101 0.000 2.598 103 M HA 0.511 4.998 4.480 0.011 0.000 0.317 103 M C -1.137 175.277 176.300 0.190 0.000 1.179 103 M CA -0.696 54.663 55.300 0.098 0.000 0.936 103 M CB 1.590 34.210 32.600 0.033 0.000 1.713 103 M HN 0.002 nan 8.290 nan 0.000 0.460 104 D N 1.614 122.086 120.400 0.121 0.000 2.268 104 D HA 0.478 5.125 4.640 0.011 0.000 0.249 104 D C -2.450 173.808 176.300 -0.070 0.000 1.008 104 D CA -1.253 52.797 54.000 0.084 0.000 0.939 104 D CB 1.143 42.029 40.800 0.143 0.000 1.170 104 D HN 0.152 nan 8.370 nan 0.000 0.468 105 P HA 0.074 nan 4.420 nan 0.000 0.268 105 P C -1.734 175.484 177.300 -0.137 0.000 1.208 105 P CA -0.772 62.106 63.100 -0.369 0.000 0.777 105 P CB 0.199 31.402 31.700 -0.829 0.000 0.875 106 P HA -0.028 nan 4.420 nan 0.000 0.230 106 P C 1.262 178.551 177.300 -0.018 0.000 1.168 106 P CA 0.937 64.008 63.100 -0.047 0.000 0.793 106 P CB 0.237 31.938 31.700 0.000 0.000 0.851 107 E N 0.497 120.716 120.200 0.032 0.000 2.160 107 E HA -0.227 4.130 4.350 0.011 0.000 0.195 107 E C 2.184 178.901 176.600 0.194 0.000 0.991 107 E CA 0.811 57.280 56.400 0.115 0.000 0.810 107 E CB -0.121 29.673 29.700 0.155 0.000 0.742 107 E HN 0.216 nan 8.360 nan 0.000 0.466 108 Q N 0.633 120.489 119.800 0.094 0.000 2.124 108 Q HA -0.214 4.133 4.340 0.011 0.000 0.202 108 Q C 2.046 178.083 176.000 0.061 0.000 0.977 108 Q CA 1.223 57.080 55.803 0.090 0.000 0.850 108 Q CB -0.005 28.683 28.738 -0.083 0.000 0.901 108 Q HN 0.258 nan 8.270 nan 0.000 0.429 109 R N -0.214 120.268 120.500 -0.029 0.000 2.091 109 R HA -0.161 4.185 4.340 0.011 0.000 0.238 109 R C 2.407 178.682 176.300 -0.042 0.000 1.136 109 R CA 1.567 57.632 56.100 -0.058 0.000 0.959 109 R CB -0.164 30.088 30.300 -0.080 0.000 0.856 109 R HN 0.405 nan 8.270 nan 0.000 0.437 110 Q N -0.237 119.522 119.800 -0.067 0.000 2.079 110 Q HA -0.098 4.248 4.340 0.011 0.000 0.200 110 Q C 2.095 177.976 176.000 -0.198 0.000 0.974 110 Q CA 1.390 57.085 55.803 -0.180 0.000 0.840 110 Q CB -0.189 28.357 28.738 -0.320 0.000 0.898 110 Q HN 0.327 nan 8.270 nan 0.000 0.430 111 F N 0.881 120.813 119.950 -0.031 0.000 2.146 111 F HA -0.102 4.431 4.527 0.011 0.000 0.298 111 F C 2.661 178.449 175.800 -0.019 0.000 1.096 111 F CA 1.076 59.064 58.000 -0.019 0.000 1.275 111 F CB -0.343 38.653 39.000 -0.007 0.000 1.008 111 F HN 0.036 nan 8.300 nan 0.000 0.480 112 R N 0.765 121.352 120.500 0.145 0.000 2.091 112 R HA -0.183 4.164 4.340 0.011 0.000 0.238 112 R C 2.318 178.633 176.300 0.024 0.000 1.136 112 R CA 1.447 57.582 56.100 0.059 0.000 0.959 112 R CB -0.536 29.760 30.300 -0.006 0.000 0.856 112 R HN 0.255 nan 8.270 nan 0.000 0.437 113 A N 0.974 123.791 122.820 -0.005 0.000 1.933 113 A HA -0.159 4.168 4.320 0.011 0.000 0.218 113 A C 2.005 179.580 177.584 -0.015 0.000 1.175 113 A CA 1.187 53.212 52.037 -0.021 0.000 0.628 113 A CB -0.517 18.456 19.000 -0.045 0.000 0.814 113 A HN 0.391 nan 8.150 nan 0.000 0.444 114 L N -0.325 120.891 121.223 -0.012 0.000 2.027 114 L HA 0.017 4.364 4.340 0.011 0.000 0.206 114 L C 2.703 179.587 176.870 0.023 0.000 1.074 114 L CA 2.121 56.959 54.840 -0.003 0.000 0.745 114 L CB -0.990 41.067 42.059 -0.004 0.000 0.898 114 L HN 0.330 nan 8.230 nan 0.000 0.433 115 A N -0.422 122.428 122.820 0.049 0.000 1.908 115 A HA -0.299 4.028 4.320 0.011 0.000 0.218 115 A C 2.190 179.793 177.584 0.032 0.000 1.181 115 A CA 1.954 54.021 52.037 0.051 0.000 0.627 115 A CB -1.089 17.951 19.000 0.067 0.000 0.818 115 A HN 0.623 nan 8.150 nan 0.000 0.445 116 N N -0.291 118.424 118.700 0.023 0.000 2.205 116 N HA -0.194 4.553 4.740 0.011 0.000 0.186 116 N C 1.815 177.331 175.510 0.010 0.000 1.015 116 N CA 1.734 54.794 53.050 0.017 0.000 0.862 116 N CB -0.309 38.184 38.487 0.010 0.000 0.986 116 N HN 0.651 nan 8.380 nan 0.000 0.429 117 Q N -0.763 119.039 119.800 0.004 0.000 2.226 117 Q HA -0.094 4.253 4.340 0.011 0.000 0.204 117 Q C 1.783 177.781 176.000 -0.003 0.000 0.975 117 Q CA 1.561 57.362 55.803 -0.004 0.000 0.866 117 Q CB 0.115 28.847 28.738 -0.010 0.000 0.915 117 Q HN 0.526 nan 8.270 nan 0.000 0.440 118 V N -3.335 116.582 119.914 0.004 0.000 3.471 118 V HA 0.078 4.205 4.120 0.011 0.000 0.258 118 V C 1.465 177.561 176.094 0.003 0.000 1.192 118 V CA 0.597 62.896 62.300 -0.001 0.000 1.116 118 V CB 0.597 32.420 31.823 -0.000 0.000 0.792 118 V HN 0.231 nan 8.190 nan 0.000 0.459 119 V N -2.748 117.176 119.914 0.016 0.000 3.411 119 V HA 0.692 4.818 4.120 0.011 0.000 0.287 119 V C 1.162 177.276 176.094 0.033 0.000 1.543 119 V CA 0.378 62.691 62.300 0.023 0.000 1.028 119 V CB -0.544 31.298 31.823 0.033 0.000 0.840 119 V HN 0.453 nan 8.190 nan 0.000 0.435 120 G N -0.400 108.422 108.800 0.036 0.000 2.553 120 G HA2 0.339 4.306 3.960 0.011 0.000 0.278 120 G HA3 0.339 4.306 3.960 0.011 0.000 0.278 120 G C 0.786 175.709 174.900 0.039 0.000 1.349 120 G CA -0.005 45.135 45.100 0.067 0.000 1.037 120 G HN -0.014 nan 8.290 nan 0.000 0.508 121 M N 0.504 120.098 119.600 -0.011 0.000 2.151 121 M HA -0.129 4.358 4.480 0.011 0.000 0.256 121 M C 0.210 176.471 176.300 -0.066 0.000 1.072 121 M CA 2.183 57.412 55.300 -0.118 0.000 1.090 121 M CB -1.932 30.522 32.600 -0.243 0.000 1.294 121 M HN 0.259 nan 8.290 nan 0.000 0.415 122 P HA -0.027 nan 4.420 nan 0.000 0.219 122 P C 1.812 179.097 177.300 -0.025 0.000 1.150 122 P CA 0.830 63.908 63.100 -0.037 0.000 0.814 122 P CB -0.134 31.546 31.700 -0.032 0.000 0.787 123 V N -0.430 119.473 119.914 -0.018 0.000 2.407 123 V HA -0.181 3.946 4.120 0.011 0.000 0.248 123 V C 2.435 178.523 176.094 -0.010 0.000 1.055 123 V CA 1.645 63.936 62.300 -0.015 0.000 1.049 123 V CB -1.088 30.728 31.823 -0.012 0.000 0.662 123 V HN -0.018 nan 8.190 nan 0.000 0.455 124 V N -0.006 119.905 119.914 -0.004 0.000 2.283 124 V HA -0.224 3.902 4.120 0.011 0.000 0.243 124 V C 2.229 178.325 176.094 0.004 0.000 1.039 124 V CA 2.148 64.453 62.300 0.007 0.000 1.016 124 V CB -0.740 31.099 31.823 0.027 0.000 0.650 124 V HN 0.479 nan 8.190 nan 0.000 0.449 125 D N -0.058 120.337 120.400 -0.009 0.000 2.172 125 D HA -0.175 4.471 4.640 0.011 0.000 0.196 125 D C 2.279 178.578 176.300 -0.002 0.000 0.999 125 D CA 1.249 55.244 54.000 -0.008 0.000 0.856 125 D CB -0.114 40.674 40.800 -0.021 0.000 0.934 125 D HN 0.357 nan 8.370 nan 0.000 0.453 126 K N -0.315 120.081 120.400 -0.006 0.000 2.062 126 K HA 0.035 4.362 4.320 0.011 0.000 0.205 126 K C 1.906 178.506 176.600 0.000 0.000 1.051 126 K CA 0.489 56.773 56.287 -0.005 0.000 0.941 126 K CB -0.020 32.473 32.500 -0.011 0.000 0.719 126 K HN 0.239 nan 8.250 nan 0.000 0.440 127 L N 0.905 122.129 121.223 0.000 0.000 2.610 127 L HA -0.049 4.298 4.340 0.011 0.000 0.232 127 L C 2.124 179.006 176.870 0.020 0.000 1.149 127 L CA 0.339 55.181 54.840 0.003 0.000 0.872 127 L CB -0.281 41.773 42.059 -0.009 0.000 0.992 127 L HN 0.242 nan 8.230 nan 0.000 0.447 128 E N 1.244 121.461 120.200 0.028 0.000 2.171 128 E HA -0.281 4.076 4.350 0.011 0.000 0.197 128 E C 1.679 178.315 176.600 0.059 0.000 0.997 128 E CA 1.927 58.355 56.400 0.048 0.000 0.810 128 E CB 0.082 29.808 29.700 0.043 0.000 0.738 128 E HN 0.436 nan 8.360 nan 0.000 0.467 129 N N -0.964 117.763 118.700 0.045 0.000 2.395 129 N HA 0.036 4.782 4.740 0.011 0.000 0.175 129 N C 1.418 176.961 175.510 0.054 0.000 1.029 129 N CA 0.234 53.313 53.050 0.048 0.000 0.897 129 N CB 0.230 38.737 38.487 0.034 0.000 0.991 129 N HN -0.005 nan 8.380 nan 0.000 0.441 130 R N 0.553 121.079 120.500 0.043 0.000 2.115 130 R HA 0.031 4.377 4.340 0.011 0.000 0.230 130 R C 1.822 178.169 176.300 0.079 0.000 1.111 130 R CA 0.640 56.767 56.100 0.045 0.000 0.976 130 R CB -0.662 29.649 30.300 0.019 0.000 0.870 130 R HN 0.375 nan 8.270 nan 0.000 0.445 131 I N 0.770 121.394 120.570 0.090 0.000 2.142 131 I HA -0.322 3.855 4.170 0.011 0.000 0.240 131 I C 2.671 178.946 176.117 0.263 0.000 1.078 131 I CA 1.336 62.735 61.300 0.165 0.000 1.343 131 I CB -0.383 37.701 38.000 0.139 0.000 1.046 131 I HN 0.078 nan 8.210 nan 0.000 0.405 132 Q N 1.481 121.389 119.800 0.180 0.000 2.062 132 Q HA -0.325 4.022 4.340 0.011 0.000 0.209 132 Q C 2.072 178.150 176.000 0.130 0.000 0.996 132 Q CA 2.481 58.372 55.803 0.146 0.000 0.859 132 Q CB -0.470 28.326 28.738 0.097 0.000 0.920 132 Q HN 0.494 nan 8.270 nan 0.000 0.415 133 E N -0.599 119.665 120.200 0.107 0.000 2.058 133 E HA -0.233 4.124 4.350 0.011 0.000 0.194 133 E C 2.055 178.721 176.600 0.110 0.000 0.997 133 E CA 1.507 57.959 56.400 0.087 0.000 0.801 133 E CB -0.309 29.431 29.700 0.066 0.000 0.746 133 E HN 0.472 nan 8.360 nan 0.000 0.450 134 L N 0.730 122.047 121.223 0.158 0.000 1.994 134 L HA -0.161 4.185 4.340 0.011 0.000 0.208 134 L C 2.604 179.589 176.870 0.192 0.000 1.071 134 L CA 1.945 56.901 54.840 0.192 0.000 0.745 134 L CB -0.502 41.713 42.059 0.260 0.000 0.892 134 L HN 0.221 nan 8.230 nan 0.000 0.431 135 A N -1.267 121.687 122.820 0.224 0.000 1.873 135 A HA -0.296 4.030 4.320 0.011 0.000 0.218 135 A C 2.390 180.051 177.584 0.128 0.000 1.193 135 A CA 2.100 54.181 52.037 0.074 0.000 0.629 135 A CB -1.537 17.483 19.000 0.032 0.000 0.826 135 A HN 0.623 nan 8.150 nan 0.000 0.447 136 C N -0.274 119.080 119.300 0.091 0.000 2.413 136 C HA -0.108 4.359 4.460 0.011 0.000 0.276 136 C C 3.502 178.516 174.990 0.040 0.000 1.236 136 C CA 1.620 60.666 59.018 0.046 0.000 1.735 136 C CB -1.248 26.515 27.740 0.037 0.000 2.031 136 C HN 0.816 nan 8.230 nan 0.000 0.474 137 S N 0.559 116.293 115.700 0.058 0.000 2.387 137 S HA -0.054 4.423 4.470 0.011 0.000 0.226 137 S C 1.725 176.360 174.600 0.058 0.000 1.026 137 S CA 1.280 59.509 58.200 0.048 0.000 0.972 137 S CB -0.638 62.591 63.200 0.049 0.000 0.814 137 S HN 0.630 nan 8.310 nan 0.000 0.477 138 L N 0.684 121.959 121.223 0.087 0.000 2.017 138 L HA 0.004 4.350 4.340 0.011 0.000 0.208 138 L C 2.652 179.614 176.870 0.153 0.000 1.073 138 L CA 1.446 56.360 54.840 0.122 0.000 0.745 138 L CB -0.582 41.538 42.059 0.101 0.000 0.894 138 L HN 0.312 nan 8.230 nan 0.000 0.432 139 I N -0.351 120.295 120.570 0.126 0.000 2.286 139 I HA -0.254 3.923 4.170 0.011 0.000 0.248 139 I C 2.583 178.622 176.117 -0.131 0.000 1.115 139 I CA 1.020 62.269 61.300 -0.085 0.000 1.392 139 I CB -0.189 37.668 38.000 -0.239 0.000 1.065 139 I HN 0.257 nan 8.210 nan 0.000 0.418 140 E N 1.097 121.261 120.200 -0.061 0.000 2.150 140 E HA -0.188 4.169 4.350 0.011 0.000 0.193 140 E C 2.221 178.819 176.600 -0.004 0.000 0.985 140 E CA 1.615 57.985 56.400 -0.049 0.000 0.814 140 E CB -0.167 29.517 29.700 -0.027 0.000 0.752 140 E HN 0.471 nan 8.360 nan 0.000 0.466 141 S N -0.550 115.165 115.700 0.025 0.000 2.423 141 S HA -0.074 4.403 4.470 0.011 0.000 0.231 141 S C 1.928 176.575 174.600 0.077 0.000 1.014 141 S CA 0.929 59.158 58.200 0.048 0.000 0.965 141 S CB -0.335 62.898 63.200 0.055 0.000 0.785 141 S HN 0.337 nan 8.310 nan 0.000 0.495 142 L N 0.460 121.741 121.223 0.097 0.000 2.202 142 L HA 0.230 4.577 4.340 0.011 0.000 0.205 142 L C 2.987 180.039 176.870 0.302 0.000 1.083 142 L CA 0.589 55.551 54.840 0.203 0.000 0.790 142 L CB -0.518 41.703 42.059 0.271 0.000 0.942 142 L HN 0.273 nan 8.230 nan 0.000 0.452 143 R N 1.198 121.778 120.500 0.134 0.000 2.112 143 R HA -0.188 4.158 4.340 0.011 0.000 0.242 143 R C -0.608 175.918 176.300 0.376 0.000 1.137 143 R CA 2.251 58.446 56.100 0.158 0.000 0.944 143 R CB -1.191 29.056 30.300 -0.088 0.000 0.857 143 R HN 0.247 nan 8.270 nan 0.000 0.435 144 P HA -0.047 nan 4.420 nan 0.000 0.236 144 P C 0.428 177.760 177.300 0.054 0.000 1.177 144 P CA 0.814 63.985 63.100 0.118 0.000 0.773 144 P CB 0.123 31.858 31.700 0.058 0.000 0.878 145 Q N -0.206 119.622 119.800 0.048 0.000 2.230 145 Q HA 0.013 4.360 4.340 0.011 0.000 0.202 145 Q C 1.862 177.663 176.000 -0.332 0.000 0.963 145 Q CA 1.385 57.134 55.803 -0.090 0.000 0.866 145 Q CB -1.022 27.687 28.738 -0.048 0.000 0.931 145 Q HN 0.370 nan 8.270 nan 0.000 0.452 146 G N 1.644 110.057 108.800 -0.645 0.000 2.168 146 G HA2 -0.301 3.665 3.960 0.011 0.000 0.263 146 G HA3 -0.301 3.665 3.960 0.011 0.000 0.263 146 G C 0.037 173.966 174.900 -1.618 0.000 0.977 146 G CA 0.946 45.225 45.100 -1.368 0.000 0.659 146 G HN 0.482 nan 8.290 nan 0.000 0.533 147 Q N -1.643 117.307 119.800 -1.417 0.000 2.527 147 Q HA 0.645 4.992 4.340 0.011 0.000 0.280 147 Q C -0.389 175.452 176.000 -0.264 0.000 0.977 147 Q CA -0.746 54.585 55.803 -0.788 0.000 0.837 147 Q CB 1.689 30.221 28.738 -0.343 0.000 1.454 147 Q HN 1.348 nan 8.270 nan 0.000 0.387 148 C N -0.295 119.069 119.300 0.107 0.000 3.307 148 C HA 0.662 5.129 4.460 0.011 0.000 0.333 148 C C -1.329 173.793 174.990 0.221 0.000 1.291 148 C CA -0.943 58.228 59.018 0.255 0.000 1.273 148 C CB 1.446 29.484 27.740 0.496 0.000 1.580 148 C HN 0.972 nan 8.230 nan 0.000 0.481 149 N N 0.942 119.742 118.700 0.165 0.000 2.521 149 N HA 0.221 4.967 4.740 0.011 0.000 0.236 149 N C 0.173 175.784 175.510 0.167 0.000 1.067 149 N CA -1.111 52.025 53.050 0.143 0.000 0.939 149 N CB 0.092 38.627 38.487 0.080 0.000 1.201 149 N HN 0.772 nan 8.380 nan 0.000 0.511 150 F N 3.340 123.329 119.950 0.066 0.000 2.126 150 F HA -0.185 4.349 4.527 0.011 0.000 0.299 150 F C 1.741 177.561 175.800 0.033 0.000 1.096 150 F CA 1.624 59.641 58.000 0.029 0.000 1.255 150 F CB -0.266 38.651 39.000 -0.138 0.000 0.997 150 F HN 0.403 nan 8.300 nan 0.000 0.479 151 T N -0.526 114.030 114.554 0.004 0.000 2.746 151 T HA -0.210 4.147 4.350 0.011 0.000 0.267 151 T C 1.683 176.305 174.700 -0.130 0.000 1.039 151 T CA 1.660 63.703 62.100 -0.095 0.000 1.142 151 T CB -0.312 68.545 68.868 -0.017 0.000 0.866 151 T HN 0.266 nan 8.240 nan 0.000 0.444 152 E N 1.079 121.244 120.200 -0.059 0.000 2.072 152 E HA -0.099 4.258 4.350 0.011 0.000 0.190 152 E C 1.586 178.158 176.600 -0.047 0.000 0.982 152 E CA 1.086 57.463 56.400 -0.039 0.000 0.803 152 E CB -0.076 29.625 29.700 0.001 0.000 0.755 152 E HN 0.325 nan 8.360 nan 0.000 0.453 153 D N -1.643 118.737 120.400 -0.032 0.000 2.327 153 D HA -0.014 4.633 4.640 0.011 0.000 0.205 153 D C 0.887 177.195 176.300 0.014 0.000 0.989 153 D CA 0.534 54.548 54.000 0.022 0.000 0.873 153 D CB 0.274 41.141 40.800 0.112 0.000 0.955 153 D HN 0.248 nan 8.370 nan 0.000 0.515 154 Y N 0.479 120.602 120.300 -0.294 0.000 2.769 154 Y HA 0.363 4.920 4.550 0.011 0.000 0.266 154 Y C 2.093 177.745 175.900 -0.412 0.000 1.091 154 Y CA 0.611 58.486 58.100 -0.376 0.000 1.272 154 Y CB -0.083 38.069 38.460 -0.512 0.000 1.469 154 Y HN -0.135 nan 8.280 nan 0.000 0.475 155 A N 0.463 122.965 122.820 -0.529 0.000 1.969 155 A HA -0.115 4.212 4.320 0.011 0.000 0.218 155 A C 1.850 179.360 177.584 -0.123 0.000 1.169 155 A CA 2.004 53.879 52.037 -0.269 0.000 0.635 155 A CB -0.505 18.339 19.000 -0.259 0.000 0.810 155 A HN 0.641 nan 8.150 nan 0.000 0.445 156 E N -0.736 119.379 120.200 -0.142 0.000 2.042 156 E HA -0.069 4.288 4.350 0.011 0.000 0.189 156 E C -0.668 175.890 176.600 -0.069 0.000 0.974 156 E CA 0.868 57.220 56.400 -0.081 0.000 0.806 156 E CB -0.573 29.086 29.700 -0.068 0.000 0.769 156 E HN 0.411 nan 8.360 nan 0.000 0.451 157 P HA -0.158 nan 4.420 nan 0.000 0.219 157 P C 0.949 178.228 177.300 -0.034 0.000 1.146 157 P CA 0.874 63.939 63.100 -0.059 0.000 0.808 157 P CB 0.010 31.670 31.700 -0.066 0.000 0.779 158 F N 2.258 122.029 119.950 -0.299 0.000 2.031 158 F HA -0.065 4.468 4.527 0.010 0.000 0.295 158 F C -0.858 174.870 175.800 -0.120 0.000 1.133 158 F CA 1.351 59.169 58.000 -0.302 0.000 1.188 158 F CB -1.901 36.771 39.000 -0.547 0.000 0.974 158 F HN -0.016 nan 8.300 nan 0.000 0.473 159 P HA -0.167 nan 4.420 nan 0.000 0.217 159 P C 2.358 179.600 177.300 -0.098 0.000 1.150 159 P CA 1.693 64.653 63.100 -0.234 0.000 0.832 159 P CB -0.216 31.429 31.700 -0.091 0.000 0.787 160 I N -0.341 120.200 120.570 -0.049 0.000 2.286 160 I HA -0.202 3.975 4.170 0.011 0.000 0.248 160 I C 2.596 178.744 176.117 0.053 0.000 1.115 160 I CA 1.290 62.599 61.300 0.015 0.000 1.392 160 I CB -0.028 37.965 38.000 -0.011 0.000 1.065 160 I HN -0.205 nan 8.210 nan 0.000 0.418 161 R N 0.264 120.759 120.500 -0.009 0.000 2.115 161 R HA -0.083 4.264 4.340 0.011 0.000 0.230 161 R C 2.223 178.504 176.300 -0.033 0.000 1.111 161 R CA 1.359 57.456 56.100 -0.005 0.000 0.976 161 R CB -0.241 30.058 30.300 -0.001 0.000 0.870 161 R HN 0.423 nan 8.270 nan 0.000 0.445 162 I N -0.089 120.422 120.570 -0.099 0.000 2.202 162 I HA -0.269 3.908 4.170 0.011 0.000 0.242 162 I C 2.169 178.260 176.117 -0.044 0.000 1.091 162 I CA 1.082 62.310 61.300 -0.119 0.000 1.368 162 I CB -0.258 37.595 38.000 -0.244 0.000 1.058 162 I HN 0.058 nan 8.210 nan 0.000 0.410 163 F N 1.488 121.378 119.950 -0.100 0.000 2.126 163 F HA -0.292 4.242 4.527 0.011 0.000 0.299 163 F C 2.493 178.275 175.800 -0.031 0.000 1.096 163 F CA 1.681 59.645 58.000 -0.058 0.000 1.255 163 F CB -0.149 38.820 39.000 -0.051 0.000 0.997 163 F HN -0.053 nan 8.300 nan 0.000 0.479 164 M N -0.087 119.502 119.600 -0.019 0.000 2.149 164 M HA -0.209 4.277 4.480 0.011 0.000 0.261 164 M C 2.360 178.562 176.300 -0.163 0.000 1.064 164 M CA 1.448 56.703 55.300 -0.076 0.000 1.102 164 M CB -1.637 30.985 32.600 0.037 0.000 1.369 164 M HN 0.362 nan 8.290 nan 0.000 0.408 165 L N -0.180 120.963 121.223 -0.133 0.000 2.005 165 L HA -0.188 4.159 4.340 0.011 0.000 0.207 165 L C 2.382 179.154 176.870 -0.164 0.000 1.072 165 L CA 1.114 55.886 54.840 -0.114 0.000 0.744 165 L CB -0.337 41.675 42.059 -0.077 0.000 0.895 165 L HN 0.180 nan 8.230 nan 0.000 0.433 166 L N -0.575 120.515 121.223 -0.222 0.000 2.013 166 L HA -0.250 4.097 4.340 0.011 0.000 0.212 166 L C 2.438 179.123 176.870 -0.310 0.000 1.073 166 L CA 1.490 56.184 54.840 -0.244 0.000 0.753 166 L CB -0.608 41.296 42.059 -0.259 0.000 0.890 166 L HN 0.344 nan 8.230 nan 0.000 0.432 167 A N -0.712 121.794 122.820 -0.524 0.000 2.251 167 A HA 0.256 4.583 4.320 0.011 0.000 0.209 167 A C 1.552 179.002 177.584 -0.224 0.000 1.187 167 A CA 0.585 52.343 52.037 -0.465 0.000 0.823 167 A CB -0.528 17.965 19.000 -0.846 0.000 0.846 167 A HN 0.519 nan 8.150 nan 0.000 0.486 168 G N -0.298 108.398 108.800 -0.173 0.000 2.338 168 G HA2 -0.222 3.744 3.960 0.011 0.000 0.296 168 G HA3 -0.222 3.744 3.960 0.011 0.000 0.296 168 G C -0.099 174.772 174.900 -0.047 0.000 1.040 168 G CA 0.608 45.655 45.100 -0.088 0.000 1.004 168 G HN 0.481 nan 8.290 nan 0.000 0.509 169 L N 0.623 121.824 121.223 -0.036 0.000 2.334 169 L HA 0.569 4.916 4.340 0.011 0.000 0.275 169 L C -1.486 175.414 176.870 0.051 0.000 1.036 169 L CA -2.389 52.479 54.840 0.047 0.000 0.807 169 L CB 1.688 43.828 42.059 0.135 0.000 1.231 169 L HN 0.018 nan 8.230 nan 0.000 0.438 170 P HA 0.132 nan 4.420 nan 0.000 0.278 170 P C 0.117 177.457 177.300 0.066 0.000 1.238 170 P CA -0.396 62.738 63.100 0.056 0.000 0.794 170 P CB 1.127 32.860 31.700 0.054 0.000 0.955 171 E N 1.199 121.426 120.200 0.046 0.000 2.169 171 E HA -0.250 4.107 4.350 0.011 0.000 0.202 171 E C 1.510 178.141 176.600 0.052 0.000 1.016 171 E CA 1.450 57.877 56.400 0.044 0.000 0.817 171 E CB 0.152 29.871 29.700 0.031 0.000 0.736 171 E HN 0.564 nan 8.360 nan 0.000 0.462 172 E N 0.540 120.772 120.200 0.053 0.000 2.338 172 E HA -0.184 4.172 4.350 0.011 0.000 0.197 172 E C 0.980 177.625 176.600 0.076 0.000 1.007 172 E CA 0.821 57.253 56.400 0.053 0.000 0.849 172 E CB -0.127 29.599 29.700 0.043 0.000 0.774 172 E HN 0.274 nan 8.360 nan 0.000 0.506 173 D N 0.815 121.278 120.400 0.105 0.000 2.347 173 D HA 0.091 4.738 4.640 0.011 0.000 0.213 173 D C 1.983 178.343 176.300 0.099 0.000 0.985 173 D CA 0.081 54.169 54.000 0.147 0.000 0.879 173 D CB -0.075 40.867 40.800 0.237 0.000 0.919 173 D HN 0.234 nan 8.370 nan 0.000 0.526 174 I N 1.535 122.149 120.570 0.073 0.000 2.118 174 I HA -0.242 3.935 4.170 0.011 0.000 0.241 174 I C -0.581 175.557 176.117 0.035 0.000 1.070 174 I CA 1.352 62.679 61.300 0.044 0.000 1.327 174 I CB -1.309 36.715 38.000 0.039 0.000 1.034 174 I HN 0.022 nan 8.210 nan 0.000 0.405 175 P HA -0.190 nan 4.420 nan 0.000 0.216 175 P C 1.476 178.831 177.300 0.091 0.000 1.153 175 P CA 1.606 64.741 63.100 0.058 0.000 0.848 175 P CB -0.087 31.643 31.700 0.051 0.000 0.787 176 H N -0.674 118.397 119.070 0.002 0.000 2.321 176 H HA -0.099 4.463 4.556 0.011 0.000 0.300 176 H C 1.756 177.071 175.328 -0.022 0.000 1.087 176 H CA 1.376 57.431 56.048 0.012 0.000 1.319 176 H CB -0.954 28.811 29.762 0.004 0.000 1.379 176 H HN -0.129 nan 8.280 nan 0.000 0.501 177 L N 0.858 121.960 121.223 -0.200 0.000 2.093 177 L HA -0.105 4.242 4.340 0.011 0.000 0.208 177 L C 2.402 179.145 176.870 -0.211 0.000 1.085 177 L CA 1.604 56.237 54.840 -0.345 0.000 0.755 177 L CB -0.723 41.152 42.059 -0.306 0.000 0.904 177 L HN 0.217 nan 8.230 nan 0.000 0.435 178 K N -1.187 119.154 120.400 -0.099 0.000 2.032 178 K HA -0.273 4.054 4.320 0.011 0.000 0.209 178 K C 2.304 178.875 176.600 -0.047 0.000 1.048 178 K CA 1.928 58.179 56.287 -0.060 0.000 0.927 178 K CB -0.540 31.952 32.500 -0.013 0.000 0.712 178 K HN 0.383 nan 8.250 nan 0.000 0.441 179 Y N 1.643 121.859 120.300 -0.139 0.000 2.128 179 Y HA -0.207 4.350 4.550 0.011 0.000 0.284 179 Y C 2.079 177.880 175.900 -0.166 0.000 1.154 179 Y CA 1.642 59.666 58.100 -0.127 0.000 1.149 179 Y CB -0.433 37.968 38.460 -0.098 0.000 0.976 179 Y HN -0.008 nan 8.280 nan 0.000 0.505 180 L N -0.228 120.781 121.223 -0.355 0.000 2.017 180 L HA -0.231 4.116 4.340 0.011 0.000 0.208 180 L C 2.665 179.348 176.870 -0.312 0.000 1.073 180 L CA 2.093 56.682 54.840 -0.417 0.000 0.745 180 L CB -1.154 40.681 42.059 -0.373 0.000 0.894 180 L HN 0.431 nan 8.230 nan 0.000 0.432 181 T N -4.045 110.365 114.554 -0.239 0.000 2.777 181 T HA -0.158 4.199 4.350 0.011 0.000 0.266 181 T C 1.505 176.121 174.700 -0.140 0.000 1.040 181 T CA 1.190 63.192 62.100 -0.163 0.000 1.141 181 T CB -0.398 68.380 68.868 -0.149 0.000 0.868 181 T HN 0.185 nan 8.240 nan 0.000 0.444 182 D N 1.409 121.715 120.400 -0.157 0.000 2.182 182 D HA -0.100 4.547 4.640 0.011 0.000 0.201 182 D C 2.382 178.587 176.300 -0.158 0.000 0.986 182 D CA 0.959 54.881 54.000 -0.130 0.000 0.847 182 D CB -0.380 40.358 40.800 -0.103 0.000 0.942 182 D HN 0.534 nan 8.370 nan 0.000 0.467 183 Q N -0.426 119.216 119.800 -0.264 0.000 2.135 183 Q HA -0.138 4.209 4.340 0.011 0.000 0.204 183 Q C 2.155 178.076 176.000 -0.130 0.000 0.981 183 Q CA 0.962 56.611 55.803 -0.255 0.000 0.856 183 Q CB -0.087 28.420 28.738 -0.384 0.000 0.902 183 Q HN 0.348 nan 8.270 nan 0.000 0.425 184 M N -0.265 119.277 119.600 -0.097 0.000 2.248 184 M HA -0.109 4.378 4.480 0.011 0.000 0.265 184 M C 2.073 178.395 176.300 0.038 0.000 1.079 184 M CA 1.711 57.017 55.300 0.010 0.000 1.150 184 M CB 0.198 32.816 32.600 0.030 0.000 1.366 184 M HN 0.206 nan 8.290 nan 0.000 0.433 185 T N -1.728 112.820 114.554 -0.009 0.000 3.051 185 T HA 0.069 4.426 4.350 0.011 0.000 0.255 185 T C 0.914 175.590 174.700 -0.040 0.000 1.085 185 T CA -0.072 62.017 62.100 -0.020 0.000 1.109 185 T CB -0.235 68.624 68.868 -0.015 0.000 0.921 185 T HN 0.544 nan 8.240 nan 0.000 0.488 186 R N 1.595 122.067 120.500 -0.046 0.000 2.724 186 R HA 0.482 4.829 4.340 0.011 0.000 0.284 186 R C -3.004 173.266 176.300 -0.050 0.000 1.481 186 R CA -1.677 54.397 56.100 -0.043 0.000 1.652 186 R CB 0.367 30.645 30.300 -0.037 0.000 1.175 186 R HN 0.134 nan 8.270 nan 0.000 0.613 187 P HA 0.085 nan 4.420 nan 0.000 0.276 187 P C -0.636 176.632 177.300 -0.053 0.000 1.230 187 P CA -0.158 62.909 63.100 -0.054 0.000 0.776 187 P CB 1.271 32.936 31.700 -0.059 0.000 0.888 188 D N 1.116 121.491 120.400 -0.042 0.000 2.339 188 D HA 0.110 4.757 4.640 0.011 0.000 0.217 188 D C 1.347 177.626 176.300 -0.034 0.000 1.050 188 D CA 0.371 54.352 54.000 -0.032 0.000 0.856 188 D CB -0.429 40.359 40.800 -0.019 0.000 0.922 188 D HN 0.616 nan 8.370 nan 0.000 0.518 189 G N 0.337 109.113 108.800 -0.040 0.000 2.175 189 G HA2 -0.334 3.633 3.960 0.011 0.000 0.244 189 G HA3 -0.334 3.633 3.960 0.011 0.000 0.244 189 G C 1.099 175.986 174.900 -0.022 0.000 0.982 189 G CA 0.644 45.721 45.100 -0.038 0.000 0.641 189 G HN 0.637 nan 8.290 nan 0.000 0.527 190 S N -1.264 114.427 115.700 -0.016 0.000 2.562 190 S HA 0.568 5.044 4.470 0.011 0.000 0.221 190 S C 0.822 175.419 174.600 -0.005 0.000 0.975 190 S CA 1.100 59.297 58.200 -0.006 0.000 0.918 190 S CB 0.297 63.498 63.200 0.001 0.000 0.772 190 S HN 0.681 nan 8.310 nan 0.000 0.531 191 M N 0.941 120.535 119.600 -0.010 0.000 2.501 191 M HA 0.370 4.857 4.480 0.011 0.000 0.293 191 M C -0.700 175.601 176.300 0.003 0.000 1.192 191 M CA -0.243 55.052 55.300 -0.008 0.000 0.886 191 M CB 2.428 35.014 32.600 -0.023 0.000 1.710 191 M HN 0.053 nan 8.290 nan 0.000 0.457 192 T N 1.417 115.976 114.554 0.009 0.000 2.868 192 T HA 0.167 4.524 4.350 0.011 0.000 0.292 192 T C 0.707 175.444 174.700 0.063 0.000 1.028 192 T CA 0.026 62.148 62.100 0.036 0.000 1.059 192 T CB 0.445 69.332 68.868 0.030 0.000 0.991 192 T HN 0.528 nan 8.240 nan 0.000 0.531 193 F N 3.158 123.082 119.950 -0.044 0.000 2.095 193 F HA -0.037 4.497 4.527 0.011 0.000 0.298 193 F C 2.252 178.023 175.800 -0.048 0.000 1.104 193 F CA 1.864 59.836 58.000 -0.047 0.000 1.232 193 F CB -0.942 38.043 39.000 -0.025 0.000 0.987 193 F HN 0.648 nan 8.300 nan 0.000 0.475 194 A N -0.047 122.636 122.820 -0.228 0.000 1.940 194 A HA -0.210 4.117 4.320 0.011 0.000 0.219 194 A C 2.121 179.574 177.584 -0.218 0.000 1.176 194 A CA 1.885 53.748 52.037 -0.289 0.000 0.631 194 A CB -0.877 18.064 19.000 -0.099 0.000 0.814 194 A HN 0.581 nan 8.150 nan 0.000 0.446 195 E N -0.288 119.836 120.200 -0.127 0.000 2.072 195 E HA -0.061 4.295 4.350 0.011 0.000 0.191 195 E C 2.338 178.864 176.600 -0.123 0.000 0.985 195 E CA 0.958 57.306 56.400 -0.087 0.000 0.801 195 E CB -0.290 29.385 29.700 -0.041 0.000 0.750 195 E HN 0.621 nan 8.360 nan 0.000 0.452 196 A N 1.548 124.274 122.820 -0.157 0.000 1.877 196 A HA -0.249 4.078 4.320 0.011 0.000 0.216 196 A C 2.057 179.488 177.584 -0.254 0.000 1.186 196 A CA 1.760 53.694 52.037 -0.171 0.000 0.620 196 A CB -0.402 18.531 19.000 -0.112 0.000 0.822 196 A HN 0.068 nan 8.150 nan 0.000 0.443 197 K N -0.598 119.546 120.400 -0.427 0.000 2.032 197 K HA -0.203 4.124 4.320 0.011 0.000 0.209 197 K C 1.968 178.297 176.600 -0.452 0.000 1.048 197 K CA 1.683 57.628 56.287 -0.571 0.000 0.927 197 K CB -0.100 31.923 32.500 -0.794 0.000 0.712 197 K HN 0.349 nan 8.250 nan 0.000 0.441 198 E N 0.286 120.355 120.200 -0.219 0.000 2.058 198 E HA -0.187 4.170 4.350 0.011 0.000 0.194 198 E C 1.962 178.576 176.600 0.022 0.000 0.997 198 E CA 1.336 57.725 56.400 -0.017 0.000 0.801 198 E CB -0.464 29.242 29.700 0.010 0.000 0.746 198 E HN 0.438 nan 8.360 nan 0.000 0.450 199 A N 1.283 124.089 122.820 -0.023 0.000 1.883 199 A HA -0.195 4.132 4.320 0.011 0.000 0.217 199 A C 2.271 179.881 177.584 0.043 0.000 1.186 199 A CA 1.637 53.688 52.037 0.023 0.000 0.624 199 A CB -0.742 18.251 19.000 -0.012 0.000 0.822 199 A HN 0.269 nan 8.150 nan 0.000 0.444 200 L N -1.423 119.771 121.223 -0.048 0.000 2.012 200 L HA -0.166 4.180 4.340 0.011 0.000 0.210 200 L C 2.309 179.265 176.870 0.143 0.000 1.073 200 L CA 1.995 56.823 54.840 -0.020 0.000 0.748 200 L CB -1.072 40.914 42.059 -0.121 0.000 0.891 200 L HN 0.463 nan 8.230 nan 0.000 0.431 201 Y N 0.380 120.736 120.300 0.094 0.000 2.207 201 Y HA -0.235 4.322 4.550 0.011 0.000 0.287 201 Y C 2.505 178.461 175.900 0.094 0.000 1.156 201 Y CA 1.228 59.382 58.100 0.089 0.000 1.182 201 Y CB -1.132 37.361 38.460 0.055 0.000 0.979 201 Y HN 0.330 nan 8.280 nan 0.000 0.521 202 D N -1.451 119.102 120.400 0.256 0.000 2.182 202 D HA -0.224 4.422 4.640 0.011 0.000 0.201 202 D C 2.009 178.433 176.300 0.208 0.000 0.986 202 D CA 1.206 55.319 54.000 0.189 0.000 0.847 202 D CB -0.619 40.280 40.800 0.165 0.000 0.942 202 D HN 0.467 nan 8.370 nan 0.000 0.467 203 Y N 0.845 121.231 120.300 0.143 0.000 2.220 203 Y HA -0.032 4.524 4.550 0.011 0.000 0.291 203 Y C 2.074 178.050 175.900 0.127 0.000 1.129 203 Y CA 1.107 59.298 58.100 0.153 0.000 1.161 203 Y CB -0.211 38.348 38.460 0.165 0.000 0.997 203 Y HN -0.112 nan 8.280 nan 0.000 0.522 204 L N -0.464 120.876 121.223 0.195 0.000 2.131 204 L HA -0.146 4.201 4.340 0.011 0.000 0.206 204 L C 2.353 179.225 176.870 0.005 0.000 1.087 204 L CA 0.875 55.770 54.840 0.092 0.000 0.767 204 L CB -0.461 41.736 42.059 0.231 0.000 0.917 204 L HN 0.258 nan 8.230 nan 0.000 0.441 205 I N 0.492 121.084 120.570 0.036 0.000 2.113 205 I HA -0.284 3.893 4.170 0.011 0.000 0.242 205 I C -0.238 175.858 176.117 -0.035 0.000 1.064 205 I CA 1.844 63.141 61.300 -0.004 0.000 1.320 205 I CB -1.529 36.478 38.000 0.011 0.000 1.028 205 I HN 0.271 nan 8.210 nan 0.000 0.406 206 P HA -0.128 nan 4.420 nan 0.000 0.217 206 P C 1.894 179.143 177.300 -0.086 0.000 1.151 206 P CA 1.685 64.743 63.100 -0.069 0.000 0.828 206 P CB -0.078 31.574 31.700 -0.081 0.000 0.788 207 I N -0.752 119.741 120.570 -0.129 0.000 2.252 207 I HA -0.183 3.993 4.170 0.011 0.000 0.245 207 I C 2.564 178.646 176.117 -0.058 0.000 1.102 207 I CA 1.124 62.357 61.300 -0.112 0.000 1.385 207 I CB -0.520 37.384 38.000 -0.160 0.000 1.064 207 I HN -0.186 nan 8.210 nan 0.000 0.414 208 I N 0.705 121.249 120.570 -0.043 0.000 2.226 208 I HA -0.314 3.863 4.170 0.011 0.000 0.245 208 I C 2.661 178.762 176.117 -0.027 0.000 1.100 208 I CA 1.493 62.778 61.300 -0.024 0.000 1.374 208 I CB -0.415 37.575 38.000 -0.017 0.000 1.057 208 I HN 0.289 nan 8.210 nan 0.000 0.413 209 E N 0.923 121.104 120.200 -0.032 0.000 2.038 209 E HA -0.322 4.034 4.350 0.011 0.000 0.195 209 E C 2.190 178.774 176.600 -0.027 0.000 1.000 209 E CA 1.711 58.094 56.400 -0.028 0.000 0.803 209 E CB -0.066 29.617 29.700 -0.028 0.000 0.750 209 E HN 0.532 nan 8.360 nan 0.000 0.448 210 Q N -0.281 119.499 119.800 -0.032 0.000 2.135 210 Q HA -0.146 4.201 4.340 0.011 0.000 0.204 210 Q C 2.211 178.196 176.000 -0.025 0.000 0.981 210 Q CA 1.735 57.520 55.803 -0.030 0.000 0.856 210 Q CB -0.029 28.687 28.738 -0.037 0.000 0.902 210 Q HN 0.229 nan 8.270 nan 0.000 0.425 211 R N -0.347 120.138 120.500 -0.025 0.000 2.246 211 R HA 0.109 4.456 4.340 0.011 0.000 0.199 211 R C 1.920 178.209 176.300 -0.018 0.000 0.984 211 R CA 0.209 56.297 56.100 -0.021 0.000 1.015 211 R CB 0.129 30.417 30.300 -0.021 0.000 0.930 211 R HN 0.140 nan 8.270 nan 0.000 0.475 212 R N 0.811 121.301 120.500 -0.017 0.000 2.119 212 R HA -0.113 4.234 4.340 0.011 0.000 0.222 212 R C 2.291 178.582 176.300 -0.015 0.000 1.088 212 R CA 1.290 57.380 56.100 -0.015 0.000 0.984 212 R CB -0.021 30.270 30.300 -0.014 0.000 0.884 212 R HN 0.126 nan 8.270 nan 0.000 0.447 213 Q N 1.387 121.177 119.800 -0.016 0.000 2.020 213 Q HA -0.067 4.280 4.340 0.011 0.000 0.198 213 Q C -0.116 175.875 176.000 -0.015 0.000 0.974 213 Q CA 1.543 57.337 55.803 -0.015 0.000 0.829 213 Q CB 0.424 29.153 28.738 -0.016 0.000 0.894 213 Q HN -0.033 nan 8.270 nan 0.000 0.433 214 K N 1.935 122.325 120.400 -0.016 0.000 2.624 214 K HA 0.380 4.707 4.320 0.011 0.000 0.200 214 K C -2.600 173.989 176.600 -0.017 0.000 1.036 214 K CA -1.934 54.344 56.287 -0.016 0.000 1.029 214 K CB 1.846 34.337 32.500 -0.016 0.000 1.317 214 K HN 0.241 nan 8.250 nan 0.000 0.555 215 P HA 0.098 nan 4.420 nan 0.000 0.275 215 P C -0.080 177.209 177.300 -0.019 0.000 1.227 215 P CA -0.074 63.015 63.100 -0.018 0.000 0.781 215 P CB 1.575 33.265 31.700 -0.017 0.000 0.906 216 G N 0.639 109.427 108.800 -0.021 0.000 3.008 216 G HA2 0.456 4.423 3.960 0.011 0.000 0.181 216 G HA3 0.456 4.423 3.960 0.011 0.000 0.181 216 G C 0.318 175.203 174.900 -0.024 0.000 1.309 216 G CA -0.103 44.984 45.100 -0.022 0.000 1.009 216 G HN 0.489 nan 8.290 nan 0.000 0.584 217 T N -1.294 113.243 114.554 -0.028 0.000 3.129 217 T HA 0.204 4.561 4.350 0.011 0.000 0.267 217 T C 0.333 175.010 174.700 -0.038 0.000 1.018 217 T CA 0.301 62.384 62.100 -0.029 0.000 0.903 217 T CB -0.355 68.497 68.868 -0.027 0.000 1.067 217 T HN 0.560 nan 8.240 nan 0.000 0.549 218 D N 1.031 121.404 120.400 -0.045 0.000 2.371 218 D HA 0.286 4.933 4.640 0.011 0.000 0.242 218 D C 1.486 177.748 176.300 -0.063 0.000 1.218 218 D CA -0.058 53.903 54.000 -0.065 0.000 0.945 218 D CB 1.243 41.998 40.800 -0.074 0.000 1.137 218 D HN 0.126 nan 8.370 nan 0.000 0.464 219 A N 0.864 123.630 122.820 -0.089 0.000 1.908 219 A HA -0.155 4.172 4.320 0.011 0.000 0.218 219 A C 2.388 179.953 177.584 -0.032 0.000 1.181 219 A CA 1.151 53.149 52.037 -0.065 0.000 0.627 219 A CB -0.792 18.151 19.000 -0.094 0.000 0.818 219 A HN 0.648 nan 8.150 nan 0.000 0.445 220 I N -0.480 120.068 120.570 -0.036 0.000 2.315 220 I HA -0.190 3.986 4.170 0.011 0.000 0.248 220 I C 2.609 178.723 176.117 -0.005 0.000 1.117 220 I CA 1.282 62.582 61.300 0.000 0.000 1.404 220 I CB -0.168 37.838 38.000 0.011 0.000 1.071 220 I HN 0.212 nan 8.210 nan 0.000 0.419 221 S N 0.729 116.418 115.700 -0.019 0.000 2.368 221 S HA -0.060 4.417 4.470 0.011 0.000 0.224 221 S C 2.006 176.598 174.600 -0.014 0.000 1.029 221 S CA 1.117 59.307 58.200 -0.017 0.000 0.988 221 S CB -0.214 62.972 63.200 -0.023 0.000 0.838 221 S HN 0.314 nan 8.310 nan 0.000 0.462 222 I N 1.013 121.574 120.570 -0.016 0.000 2.179 222 I HA -0.152 4.025 4.170 0.011 0.000 0.242 222 I C 2.203 178.317 176.117 -0.004 0.000 1.088 222 I CA 0.918 62.210 61.300 -0.013 0.000 1.357 222 I CB -0.511 37.479 38.000 -0.016 0.000 1.051 222 I HN 0.138 nan 8.210 nan 0.000 0.409 223 V N 1.075 120.993 119.914 0.006 0.000 2.261 223 V HA -0.297 3.830 4.120 0.011 0.000 0.246 223 V C 2.610 178.717 176.094 0.022 0.000 1.047 223 V CA 2.154 64.468 62.300 0.023 0.000 1.015 223 V CB -0.949 30.896 31.823 0.038 0.000 0.642 223 V HN 0.519 nan 8.190 nan 0.000 0.446 224 A N -0.411 122.417 122.820 0.013 0.000 2.119 224 A HA -0.085 4.242 4.320 0.011 0.000 0.217 224 A C 1.667 179.252 177.584 0.002 0.000 1.153 224 A CA 1.258 53.300 52.037 0.009 0.000 0.692 224 A CB -0.353 18.648 19.000 0.002 0.000 0.799 224 A HN 0.624 nan 8.150 nan 0.000 0.458 225 N N -0.088 118.610 118.700 -0.004 0.000 2.235 225 N HA 0.123 4.870 4.740 0.011 0.000 0.231 225 N C 0.621 176.121 175.510 -0.016 0.000 1.177 225 N CA 0.435 53.478 53.050 -0.011 0.000 0.874 225 N CB 0.794 39.273 38.487 -0.014 0.000 1.097 225 N HN 0.376 nan 8.380 nan 0.000 0.518 226 G N 0.069 108.860 108.800 -0.016 0.000 2.562 226 G HA2 0.231 4.198 3.960 0.011 0.000 0.275 226 G HA3 0.231 4.198 3.960 0.011 0.000 0.275 226 G C -0.121 174.749 174.900 -0.050 0.000 1.196 226 G CA -0.174 44.907 45.100 -0.031 0.000 0.908 226 G HN 0.004 nan 8.290 nan 0.000 0.524 227 Q N -0.524 119.232 119.800 -0.073 0.000 2.316 227 Q HA 0.463 4.809 4.340 0.011 0.000 0.264 227 Q C -0.582 175.321 176.000 -0.161 0.000 0.987 227 Q CA -0.610 55.136 55.803 -0.094 0.000 0.852 227 Q CB 2.149 30.842 28.738 -0.076 0.000 1.287 227 Q HN 0.519 nan 8.270 nan 0.000 0.448 228 V N 0.212 120.000 119.914 -0.211 0.000 2.638 228 V HA 0.453 4.580 4.120 0.011 0.000 0.306 228 V C -0.194 175.753 176.094 -0.245 0.000 1.052 228 V CA -0.907 61.182 62.300 -0.352 0.000 0.885 228 V CB 1.616 32.978 31.823 -0.769 0.000 0.999 228 V HN 0.890 nan 8.190 nan 0.000 0.424 229 N N 3.076 121.651 118.700 -0.208 0.000 2.710 229 N HA -0.143 4.604 4.740 0.011 0.000 0.249 229 N C 1.157 176.616 175.510 -0.084 0.000 1.059 229 N CA 1.835 54.812 53.050 -0.121 0.000 0.720 229 N CB -1.175 37.255 38.487 -0.095 0.000 0.983 229 N HN 2.174 nan 8.380 nan 0.000 0.544 230 G N -1.442 107.307 108.800 -0.085 0.000 2.168 230 G HA2 -0.371 3.596 3.960 0.011 0.000 0.257 230 G HA3 -0.371 3.596 3.960 0.011 0.000 0.257 230 G C 0.068 174.936 174.900 -0.052 0.000 0.997 230 G CA 0.940 46.004 45.100 -0.061 0.000 0.708 230 G HN 0.855 nan 8.290 nan 0.000 0.520 231 R N -1.720 118.744 120.500 -0.061 0.000 2.855 231 R HA 0.822 5.169 4.340 0.011 0.000 0.266 231 R C -3.326 172.945 176.300 -0.049 0.000 1.034 231 R CA -2.565 53.508 56.100 -0.044 0.000 0.944 231 R CB -0.042 30.240 30.300 -0.031 0.000 1.219 231 R HN 0.048 nan 8.270 nan 0.000 0.474 232 P HA 0.143 nan 4.420 nan 0.000 0.271 232 P C -0.342 176.948 177.300 -0.018 0.000 1.218 232 P CA -0.420 62.663 63.100 -0.028 0.000 0.780 232 P CB 0.523 32.213 31.700 -0.017 0.000 0.901 233 I N 1.889 122.452 120.570 -0.012 0.000 2.692 233 I HA 0.061 4.238 4.170 0.011 0.000 0.284 233 I C 0.742 176.883 176.117 0.039 0.000 1.159 233 I CA 0.113 61.434 61.300 0.033 0.000 1.423 233 I CB 0.665 38.697 38.000 0.054 0.000 1.380 233 I HN 0.420 nan 8.210 nan 0.000 0.580 234 T N 2.415 117.005 114.554 0.060 0.000 2.849 234 T HA 0.162 4.519 4.350 0.011 0.000 0.284 234 T C 1.056 175.764 174.700 0.012 0.000 1.004 234 T CA -0.442 61.675 62.100 0.028 0.000 1.021 234 T CB 1.472 70.355 68.868 0.024 0.000 1.013 234 T HN 0.663 nan 8.240 nan 0.000 0.527 235 S N 0.322 116.017 115.700 -0.010 0.000 2.382 235 S HA -0.103 4.374 4.470 0.011 0.000 0.228 235 S C 1.654 176.221 174.600 -0.055 0.000 1.027 235 S CA 1.429 59.613 58.200 -0.027 0.000 0.991 235 S CB -0.612 62.570 63.200 -0.031 0.000 0.823 235 S HN 0.939 nan 8.310 nan 0.000 0.469 236 D N 0.902 121.263 120.400 -0.065 0.000 2.117 236 D HA -0.101 4.546 4.640 0.011 0.000 0.197 236 D C 1.978 178.206 176.300 -0.119 0.000 0.987 236 D CA 1.131 55.061 54.000 -0.117 0.000 0.829 236 D CB 0.010 40.751 40.800 -0.099 0.000 0.961 236 D HN 0.440 nan 8.370 nan 0.000 0.460 237 E N -0.132 120.039 120.200 -0.049 0.000 2.077 237 E HA -0.146 4.211 4.350 0.011 0.000 0.193 237 E C 2.121 178.716 176.600 -0.008 0.000 0.989 237 E CA 0.930 57.314 56.400 -0.027 0.000 0.800 237 E CB -0.139 29.639 29.700 0.130 0.000 0.746 237 E HN 0.324 nan 8.360 nan 0.000 0.452 238 A N 1.917 124.746 122.820 0.014 0.000 1.877 238 A HA -0.258 4.069 4.320 0.011 0.000 0.216 238 A C 2.089 179.664 177.584 -0.015 0.000 1.186 238 A CA 1.752 53.801 52.037 0.019 0.000 0.620 238 A CB -0.469 18.540 19.000 0.015 0.000 0.822 238 A HN 0.103 nan 8.150 nan 0.000 0.443 239 K N -0.256 120.104 120.400 -0.066 0.000 2.032 239 K HA -0.210 4.117 4.320 0.011 0.000 0.209 239 K C 2.163 178.716 176.600 -0.079 0.000 1.048 239 K CA 1.777 58.003 56.287 -0.101 0.000 0.927 239 K CB -0.223 32.126 32.500 -0.252 0.000 0.712 239 K HN 0.442 nan 8.250 nan 0.000 0.441 240 R N -0.037 120.388 120.500 -0.126 0.000 2.148 240 R HA -0.031 4.315 4.340 0.011 0.000 0.227 240 R C 2.373 178.637 176.300 -0.059 0.000 1.103 240 R CA 1.394 57.492 56.100 -0.002 0.000 0.983 240 R CB -0.145 30.130 30.300 -0.042 0.000 0.874 240 R HN 0.351 nan 8.270 nan 0.000 0.451 241 M N -0.351 119.212 119.600 -0.061 0.000 2.193 241 M HA -0.127 4.360 4.480 0.011 0.000 0.265 241 M C 1.812 178.065 176.300 -0.078 0.000 1.071 241 M CA 1.392 56.660 55.300 -0.052 0.000 1.140 241 M CB 0.076 32.697 32.600 0.034 0.000 1.369 241 M HN 0.255 nan 8.290 nan 0.000 0.423 242 C N 0.422 119.703 119.300 -0.031 0.000 2.425 242 C HA -0.058 4.409 4.460 0.011 0.000 0.277 242 C C 2.732 177.667 174.990 -0.091 0.000 1.280 242 C CA 0.956 59.986 59.018 0.020 0.000 1.744 242 C CB -1.903 25.891 27.740 0.089 0.000 1.989 242 C HN 0.792 nan 8.230 nan 0.000 0.491 243 G N 0.545 109.218 108.800 -0.211 0.000 2.476 243 G HA2 -0.262 3.705 3.960 0.011 0.000 0.218 243 G HA3 -0.262 3.705 3.960 0.011 0.000 0.218 243 G C 1.531 175.859 174.900 -0.954 0.000 1.164 243 G CA 1.249 46.027 45.100 -0.537 0.000 0.768 243 G HN 0.491 nan 8.290 nan 0.000 0.560 244 L N 0.291 120.883 121.223 -1.053 0.000 2.056 244 L HA 0.181 4.528 4.340 0.011 0.000 0.207 244 L C 2.675 179.414 176.870 -0.220 0.000 1.078 244 L CA 1.210 55.694 54.840 -0.594 0.000 0.749 244 L CB -0.297 41.602 42.059 -0.267 0.000 0.901 244 L HN 0.207 nan 8.230 nan 0.000 0.433 245 L N -1.112 120.028 121.223 -0.137 0.000 2.191 245 L HA -0.221 4.125 4.340 0.011 0.000 0.212 245 L C 2.456 179.264 176.870 -0.104 0.000 1.103 245 L CA 0.980 55.829 54.840 0.015 0.000 0.769 245 L CB -0.505 41.653 42.059 0.165 0.000 0.908 245 L HN 0.395 nan 8.230 nan 0.000 0.438 246 L N 0.016 121.003 121.223 -0.394 0.000 1.993 246 L HA -0.149 4.198 4.340 0.011 0.000 0.206 246 L C 2.609 179.168 176.870 -0.518 0.000 1.074 246 L CA 1.824 56.081 54.840 -0.971 0.000 0.746 246 L CB -0.095 41.504 42.059 -0.768 0.000 0.896 246 L HN 0.238 nan 8.230 nan 0.000 0.435 247 V N -2.630 117.121 119.914 -0.271 0.000 2.667 247 V HA 0.004 4.131 4.120 0.011 0.000 0.252 247 V C 2.287 178.375 176.094 -0.010 0.000 1.065 247 V CA 1.400 63.647 62.300 -0.088 0.000 1.083 247 V CB -1.437 30.448 31.823 0.102 0.000 0.692 247 V HN 0.464 nan 8.190 nan 0.000 0.468 248 G N 0.665 109.468 108.800 0.004 0.000 2.448 248 G HA2 -0.005 3.962 3.960 0.011 0.000 0.219 248 G HA3 -0.005 3.962 3.960 0.011 0.000 0.219 248 G C 1.375 176.306 174.900 0.052 0.000 1.127 248 G CA 0.709 45.851 45.100 0.069 0.000 0.766 248 G HN 0.822 nan 8.290 nan 0.000 0.552 249 G N -0.459 108.348 108.800 0.012 0.000 3.126 249 G HA2 0.363 4.330 3.960 0.011 0.000 0.224 249 G HA3 0.363 4.330 3.960 0.011 0.000 0.224 249 G C 1.281 176.185 174.900 0.007 0.000 1.142 249 G CA -0.225 44.890 45.100 0.026 0.000 0.759 249 G HN 0.349 nan 8.290 nan 0.000 0.550 250 L N -0.264 120.948 121.223 -0.019 0.000 2.140 250 L HA 0.162 4.509 4.340 0.011 0.000 0.201 250 L C 2.138 179.011 176.870 0.005 0.000 1.191 250 L CA 0.542 55.364 54.840 -0.028 0.000 0.825 250 L CB -0.442 41.574 42.059 -0.071 0.000 0.970 250 L HN -0.049 nan 8.230 nan 0.000 0.477 251 D N 0.099 120.500 120.400 0.002 0.000 2.182 251 D HA -0.158 4.489 4.640 0.011 0.000 0.201 251 D C 2.119 178.443 176.300 0.039 0.000 0.986 251 D CA 1.801 55.806 54.000 0.008 0.000 0.847 251 D CB -0.247 40.551 40.800 -0.003 0.000 0.942 251 D HN 0.452 nan 8.370 nan 0.000 0.467 252 T N -1.360 113.228 114.554 0.056 0.000 2.635 252 T HA -0.169 4.188 4.350 0.011 0.000 0.267 252 T C 2.178 176.968 174.700 0.150 0.000 1.040 252 T CA 1.503 63.655 62.100 0.088 0.000 1.156 252 T CB -0.887 68.027 68.868 0.076 0.000 0.863 252 T HN 0.004 nan 8.240 nan 0.000 0.430 253 V N 1.301 121.300 119.914 0.142 0.000 2.358 253 V HA -0.103 4.024 4.120 0.011 0.000 0.246 253 V C 2.984 179.201 176.094 0.205 0.000 1.047 253 V CA 1.251 63.676 62.300 0.209 0.000 1.035 253 V CB -0.700 31.221 31.823 0.163 0.000 0.658 253 V HN 0.392 nan 8.190 nan 0.000 0.452 254 V N 0.961 120.941 119.914 0.110 0.000 2.287 254 V HA -0.264 3.862 4.120 0.011 0.000 0.248 254 V C 2.297 178.410 176.094 0.032 0.000 1.053 254 V CA 2.395 64.730 62.300 0.059 0.000 1.027 254 V CB -0.849 30.972 31.823 -0.003 0.000 0.646 254 V HN 0.574 nan 8.190 nan 0.000 0.447 255 N N -0.512 118.192 118.700 0.007 0.000 2.216 255 N HA -0.090 4.657 4.740 0.011 0.000 0.183 255 N C 1.574 177.035 175.510 -0.082 0.000 1.017 255 N CA 1.155 54.125 53.050 -0.134 0.000 0.861 255 N CB -0.509 37.918 38.487 -0.100 0.000 0.986 255 N HN 0.509 nan 8.380 nan 0.000 0.428 256 F N 1.736 121.721 119.950 0.059 0.000 2.102 256 F HA 0.003 4.537 4.527 0.012 0.000 0.298 256 F C 1.897 177.772 175.800 0.125 0.000 1.105 256 F CA 1.029 59.130 58.000 0.168 0.000 1.239 256 F CB -0.373 38.698 39.000 0.118 0.000 0.991 256 F HN -0.078 nan 8.300 nan 0.000 0.474 257 L N -0.581 120.666 121.223 0.040 0.000 2.079 257 L HA -0.245 4.102 4.340 0.011 0.000 0.210 257 L C 2.487 179.325 176.870 -0.053 0.000 1.081 257 L CA 1.455 56.310 54.840 0.026 0.000 0.752 257 L CB -0.900 41.365 42.059 0.344 0.000 0.896 257 L HN 0.107 nan 8.230 nan 0.000 0.433 258 S N -0.539 115.140 115.700 -0.035 0.000 2.368 258 S HA -0.095 4.382 4.470 0.011 0.000 0.224 258 S C 1.766 176.148 174.600 -0.364 0.000 1.029 258 S CA 1.033 59.159 58.200 -0.124 0.000 0.988 258 S CB -0.307 62.800 63.200 -0.155 0.000 0.838 258 S HN 0.206 nan 8.310 nan 0.000 0.462 259 F N 2.331 122.045 119.950 -0.393 0.000 2.126 259 F HA -0.105 4.428 4.527 0.011 0.000 0.299 259 F C 2.774 178.045 175.800 -0.882 0.000 1.096 259 F CA 0.834 58.456 58.000 -0.629 0.000 1.255 259 F CB -1.060 37.569 39.000 -0.618 0.000 0.997 259 F HN 0.103 nan 8.300 nan 0.000 0.479 260 S N -0.400 114.928 115.700 -0.619 0.000 2.356 260 S HA -0.182 4.294 4.470 0.011 0.000 0.223 260 S C 2.117 176.509 174.600 -0.348 0.000 1.032 260 S CA 1.253 59.145 58.200 -0.514 0.000 1.005 260 S CB -0.247 62.624 63.200 -0.547 0.000 0.867 260 S HN 0.185 nan 8.310 nan 0.000 0.449 261 M N 1.216 120.518 119.600 -0.496 0.000 2.229 261 M HA -0.002 4.485 4.480 0.011 0.000 0.264 261 M C 2.173 178.270 176.300 -0.339 0.000 1.063 261 M CA 1.093 56.026 55.300 -0.612 0.000 1.114 261 M CB -1.221 30.526 32.600 -1.421 0.000 1.387 261 M HN 0.437 nan 8.290 nan 0.000 0.420 262 E N -0.118 119.910 120.200 -0.286 0.000 2.051 262 E HA -0.235 4.121 4.350 0.011 0.000 0.192 262 E C 1.984 178.530 176.600 -0.089 0.000 0.991 262 E CA 1.211 57.529 56.400 -0.137 0.000 0.799 262 E CB -0.179 29.480 29.700 -0.067 0.000 0.748 262 E HN 0.358 nan 8.360 nan 0.000 0.449 263 F N 1.408 121.186 119.950 -0.287 0.000 2.102 263 F HA -0.152 4.382 4.527 0.011 0.000 0.298 263 F C 1.951 177.687 175.800 -0.107 0.000 1.105 263 F CA 1.383 59.269 58.000 -0.189 0.000 1.239 263 F CB -0.255 38.607 39.000 -0.230 0.000 0.991 263 F HN -0.002 nan 8.300 nan 0.000 0.474 264 L N -0.166 120.925 121.223 -0.220 0.000 2.141 264 L HA -0.131 4.216 4.340 0.011 0.000 0.209 264 L C 2.756 179.390 176.870 -0.392 0.000 1.094 264 L CA 0.985 55.658 54.840 -0.278 0.000 0.763 264 L CB -1.171 40.886 42.059 -0.003 0.000 0.908 264 L HN 0.244 nan 8.230 nan 0.000 0.437 265 A N 0.185 122.872 122.820 -0.221 0.000 1.972 265 A HA -0.175 4.151 4.320 0.011 0.000 0.219 265 A C 2.178 179.613 177.584 -0.248 0.000 1.169 265 A CA 1.432 53.324 52.037 -0.241 0.000 0.635 265 A CB -0.228 18.810 19.000 0.064 0.000 0.810 265 A HN 0.347 nan 8.150 nan 0.000 0.446 266 K N -0.078 120.178 120.400 -0.239 0.000 2.404 266 K HA 0.150 4.477 4.320 0.011 0.000 0.194 266 K C -0.391 176.050 176.600 -0.266 0.000 1.023 266 K CA 0.304 56.474 56.287 -0.195 0.000 1.094 266 K CB 0.402 32.834 32.500 -0.114 0.000 0.841 266 K HN 0.282 nan 8.250 nan 0.000 0.523 267 S N 1.659 117.119 115.700 -0.400 0.000 2.259 267 S HA 0.210 4.687 4.470 0.011 0.000 0.181 267 S C -2.327 172.123 174.600 -0.249 0.000 1.589 267 S CA -1.009 56.975 58.200 -0.359 0.000 1.234 267 S CB 1.404 64.189 63.200 -0.693 0.000 1.119 267 S HN -0.055 nan 8.310 nan 0.000 0.458 268 P HA -0.141 nan 4.420 nan 0.000 0.216 268 P C 1.406 178.636 177.300 -0.117 0.000 1.150 268 P CA 1.097 64.095 63.100 -0.171 0.000 0.837 268 P CB 0.223 31.845 31.700 -0.130 0.000 0.786 269 E N -1.359 118.775 120.200 -0.110 0.000 2.150 269 E HA -0.193 4.163 4.350 0.011 0.000 0.193 269 E C 1.873 178.378 176.600 -0.160 0.000 0.985 269 E CA 1.214 57.533 56.400 -0.135 0.000 0.814 269 E CB -0.696 28.898 29.700 -0.176 0.000 0.752 269 E HN 0.522 nan 8.360 nan 0.000 0.466 270 H N 0.295 119.307 119.070 -0.097 0.000 2.436 270 H HA 0.105 4.667 4.556 0.010 0.000 0.294 270 H C 2.235 177.652 175.328 0.147 0.000 1.048 270 H CA 0.876 56.932 56.048 0.014 0.000 1.353 270 H CB 0.199 29.916 29.762 -0.074 0.000 1.414 270 H HN -0.018 nan 8.280 nan 0.000 0.536 271 R N 0.194 120.753 120.500 0.099 0.000 2.073 271 R HA -0.178 4.169 4.340 0.011 0.000 0.234 271 R C 2.175 178.512 176.300 0.062 0.000 1.134 271 R CA 1.475 57.605 56.100 0.050 0.000 0.952 271 R CB -0.160 30.070 30.300 -0.116 0.000 0.850 271 R HN 0.254 nan 8.270 nan 0.000 0.433 272 Q N 1.088 120.898 119.800 0.017 0.000 2.084 272 Q HA -0.192 4.155 4.340 0.011 0.000 0.202 272 Q C 1.791 177.818 176.000 0.045 0.000 0.978 272 Q CA 1.812 57.624 55.803 0.014 0.000 0.844 272 Q CB -0.121 28.606 28.738 -0.017 0.000 0.898 272 Q HN 0.355 nan 8.270 nan 0.000 0.426 273 E N -0.590 119.652 120.200 0.070 0.000 2.070 273 E HA -0.208 4.148 4.350 0.011 0.000 0.197 273 E C 1.750 178.432 176.600 0.136 0.000 1.004 273 E CA 1.467 57.935 56.400 0.113 0.000 0.805 273 E CB -0.201 29.600 29.700 0.168 0.000 0.744 273 E HN 0.446 nan 8.360 nan 0.000 0.451 274 L N 0.352 121.674 121.223 0.165 0.000 2.217 274 L HA -0.079 4.267 4.340 0.011 0.000 0.211 274 L C 2.474 179.386 176.870 0.069 0.000 1.107 274 L CA 0.380 55.281 54.840 0.101 0.000 0.783 274 L CB -0.229 41.879 42.059 0.082 0.000 0.919 274 L HN 0.244 nan 8.230 nan 0.000 0.442 275 I N -0.028 120.583 120.570 0.069 0.000 2.163 275 I HA -0.265 3.911 4.170 0.011 0.000 0.240 275 I C 2.404 178.544 176.117 0.039 0.000 1.081 275 I CA 1.465 62.795 61.300 0.049 0.000 1.353 275 I CB -0.189 37.835 38.000 0.041 0.000 1.054 275 I HN 0.251 nan 8.210 nan 0.000 0.407 276 E N 0.529 120.753 120.200 0.039 0.000 2.208 276 E HA -0.057 4.300 4.350 0.011 0.000 0.193 276 E C 0.407 177.029 176.600 0.035 0.000 0.988 276 E CA 0.625 57.044 56.400 0.032 0.000 0.828 276 E CB 0.198 29.915 29.700 0.028 0.000 0.763 276 E HN 0.335 nan 8.360 nan 0.000 0.478 277 R N 0.800 121.328 120.500 0.046 0.000 2.585 277 R HA 0.156 4.502 4.340 0.011 0.000 0.278 277 R C -2.209 174.115 176.300 0.041 0.000 1.663 277 R CA -1.336 54.790 56.100 0.045 0.000 1.592 277 R CB 0.947 31.281 30.300 0.056 0.000 1.200 277 R HN 0.045 nan 8.270 nan 0.000 0.611 278 P HA -0.173 nan 4.420 nan 0.000 0.223 278 P C 1.053 178.365 177.300 0.021 0.000 1.151 278 P CA 1.010 64.125 63.100 0.026 0.000 0.787 278 P CB 0.377 32.092 31.700 0.026 0.000 0.788 279 E N 1.272 121.487 120.200 0.025 0.000 2.265 279 E HA -0.185 4.171 4.350 0.011 0.000 0.196 279 E C 1.608 178.222 176.600 0.022 0.000 0.996 279 E CA 0.928 57.343 56.400 0.025 0.000 0.832 279 E CB -0.771 28.945 29.700 0.027 0.000 0.756 279 E HN 0.298 nan 8.360 nan 0.000 0.491 280 R N 0.200 120.712 120.500 0.021 0.000 2.323 280 R HA 0.208 4.554 4.340 0.011 0.000 0.198 280 R C 2.302 178.571 176.300 -0.053 0.000 0.988 280 R CA 0.222 56.330 56.100 0.012 0.000 1.041 280 R CB -0.193 30.137 30.300 0.050 0.000 0.926 280 R HN 0.235 nan 8.270 nan 0.000 0.476 281 I N 1.337 121.879 120.570 -0.048 0.000 2.179 281 I HA -0.199 3.978 4.170 0.011 0.000 0.242 281 I C -0.816 175.270 176.117 -0.051 0.000 1.088 281 I CA 1.313 62.566 61.300 -0.078 0.000 1.357 281 I CB -0.947 37.037 38.000 -0.027 0.000 1.051 281 I HN 0.033 nan 8.210 nan 0.000 0.409 282 P HA -0.194 nan 4.420 nan 0.000 0.215 282 P C 1.449 178.762 177.300 0.021 0.000 1.153 282 P CA 1.894 65.008 63.100 0.024 0.000 0.853 282 P CB -0.036 31.687 31.700 0.038 0.000 0.788 283 A N -0.313 122.513 122.820 0.011 0.000 1.969 283 A HA -0.038 4.289 4.320 0.011 0.000 0.218 283 A C 2.279 179.863 177.584 0.000 0.000 1.169 283 A CA 1.815 53.872 52.037 0.033 0.000 0.635 283 A CB -1.475 17.561 19.000 0.060 0.000 0.810 283 A HN 0.191 nan 8.150 nan 0.000 0.445 284 A N -0.944 121.779 122.820 -0.163 0.000 1.930 284 A HA -0.174 4.153 4.320 0.011 0.000 0.217 284 A C 2.360 179.843 177.584 -0.168 0.000 1.175 284 A CA 1.531 53.286 52.037 -0.469 0.000 0.627 284 A CB -1.427 16.862 19.000 -1.185 0.000 0.815 284 A HN 0.872 nan 8.150 nan 0.000 0.443 285 C N -0.431 118.839 119.300 -0.050 0.000 2.398 285 C HA -0.155 4.312 4.460 0.011 0.000 0.276 285 C C 2.559 177.618 174.990 0.115 0.000 1.222 285 C CA 1.954 61.028 59.018 0.094 0.000 1.746 285 C CB -1.042 26.762 27.740 0.107 0.000 2.039 285 C HN 0.672 nan 8.230 nan 0.000 0.470 286 E N 0.547 120.801 120.200 0.090 0.000 2.106 286 E HA -0.171 4.186 4.350 0.011 0.000 0.192 286 E C 2.055 178.701 176.600 0.077 0.000 0.984 286 E CA 1.753 58.214 56.400 0.102 0.000 0.806 286 E CB -0.352 29.434 29.700 0.143 0.000 0.750 286 E HN 0.799 nan 8.360 nan 0.000 0.458 287 E N -0.217 120.049 120.200 0.109 0.000 2.152 287 E HA -0.065 4.292 4.350 0.011 0.000 0.192 287 E C 1.876 178.516 176.600 0.066 0.000 0.983 287 E CA 0.809 57.273 56.400 0.108 0.000 0.818 287 E CB -0.235 29.598 29.700 0.222 0.000 0.758 287 E HN 0.318 nan 8.360 nan 0.000 0.467 288 L N 0.035 121.362 121.223 0.173 0.000 2.046 288 L HA -0.144 4.203 4.340 0.011 0.000 0.208 288 L C 2.502 179.582 176.870 0.350 0.000 1.077 288 L CA 0.966 55.978 54.840 0.286 0.000 0.747 288 L CB -0.469 41.839 42.059 0.415 0.000 0.896 288 L HN 0.222 nan 8.230 nan 0.000 0.432 289 L N -0.476 120.843 121.223 0.160 0.000 2.079 289 L HA -0.255 4.092 4.340 0.011 0.000 0.210 289 L C 2.883 179.500 176.870 -0.421 0.000 1.081 289 L CA 1.252 55.893 54.840 -0.332 0.000 0.752 289 L CB -0.482 41.193 42.059 -0.640 0.000 0.896 289 L HN 0.287 nan 8.230 nan 0.000 0.433 290 R N 0.163 120.460 120.500 -0.339 0.000 2.062 290 R HA -0.201 4.145 4.340 0.011 0.000 0.231 290 R C 2.489 178.616 176.300 -0.287 0.000 1.136 290 R CA 1.551 57.487 56.100 -0.273 0.000 0.948 290 R CB -0.110 30.130 30.300 -0.100 0.000 0.845 290 R HN 0.072 nan 8.270 nan 0.000 0.430 291 R N -0.126 120.150 120.500 -0.375 0.000 2.092 291 R HA -0.064 4.282 4.340 0.011 0.000 0.231 291 R C 0.642 176.392 176.300 -0.917 0.000 1.119 291 R CA 1.519 57.189 56.100 -0.716 0.000 0.970 291 R CB -0.164 29.509 30.300 -1.045 0.000 0.864 291 R HN 0.234 nan 8.270 nan 0.000 0.440 292 F N 0.158 119.994 119.950 -0.189 0.000 2.850 292 F HA 0.433 4.967 4.527 0.011 0.000 0.306 292 F C 0.419 176.104 175.800 -0.193 0.000 1.162 292 F CA -0.567 57.253 58.000 -0.301 0.000 1.327 292 F CB -0.129 38.703 39.000 -0.280 0.000 0.953 292 F HN -0.157 nan 8.300 nan 0.000 0.507 293 S N 1.725 117.335 115.700 -0.151 0.000 2.554 293 S HA 0.174 4.651 4.470 0.011 0.000 0.290 293 S C 0.941 175.389 174.600 -0.255 0.000 1.309 293 S CA 0.249 58.311 58.200 -0.230 0.000 1.047 293 S CB 0.388 63.416 63.200 -0.287 0.000 0.828 293 S HN 0.570 nan 8.310 nan 0.000 0.509 294 L N 2.122 123.217 121.223 -0.213 0.000 3.689 294 L HA 0.540 4.886 4.340 0.011 0.000 0.344 294 L C -0.837 175.909 176.870 -0.206 0.000 1.221 294 L CA -0.530 54.206 54.840 -0.173 0.000 1.171 294 L CB 0.154 42.285 42.059 0.121 0.000 1.540 294 L HN 0.342 nan 8.230 nan 0.000 0.631 295 V N 2.112 121.894 119.914 -0.220 0.000 2.481 295 V HA 0.803 4.929 4.120 0.011 0.000 0.286 295 V C 0.414 176.367 176.094 -0.234 0.000 1.042 295 V CA 0.155 62.346 62.300 -0.182 0.000 0.928 295 V CB 1.379 33.134 31.823 -0.112 0.000 0.986 295 V HN 0.349 nan 8.190 nan 0.000 0.462 296 A N 3.516 126.220 122.820 -0.193 0.000 2.855 296 A HA 0.650 4.976 4.320 0.011 0.000 0.313 296 A C -0.466 177.120 177.584 0.003 0.000 1.173 296 A CA -0.634 51.329 52.037 -0.124 0.000 0.753 296 A CB 0.342 19.191 19.000 -0.252 0.000 1.200 296 A HN 0.852 nan 8.150 nan 0.000 0.442 297 D N 1.288 121.745 120.400 0.095 0.000 2.607 297 D HA 0.855 5.502 4.640 0.011 0.000 0.253 297 D C 0.578 176.995 176.300 0.195 0.000 1.171 297 D CA 0.122 54.228 54.000 0.176 0.000 1.084 297 D CB 0.949 41.921 40.800 0.287 0.000 1.203 297 D HN 0.875 nan 8.370 nan 0.000 0.629 298 G N -1.903 107.007 108.800 0.184 0.000 2.435 298 G HA2 0.515 4.482 3.960 0.011 0.000 0.296 298 G HA3 0.515 4.482 3.960 0.011 0.000 0.296 298 G C -1.308 173.638 174.900 0.077 0.000 1.240 298 G CA -0.744 44.414 45.100 0.097 0.000 0.872 298 G HN 0.487 nan 8.290 nan 0.000 0.480 299 R N -1.187 119.352 120.500 0.064 0.000 2.781 299 R HA 0.641 4.987 4.340 0.011 0.000 0.269 299 R C -1.518 174.880 176.300 0.162 0.000 1.025 299 R CA -0.706 55.464 56.100 0.116 0.000 0.914 299 R CB 1.697 32.093 30.300 0.159 0.000 1.236 299 R HN 0.673 nan 8.270 nan 0.000 0.465 300 I N 1.485 122.154 120.570 0.165 0.000 2.509 300 I HA 0.285 4.462 4.170 0.011 0.000 0.293 300 I C -0.595 175.608 176.117 0.144 0.000 1.020 300 I CA -1.055 60.344 61.300 0.166 0.000 1.088 300 I CB 1.279 39.349 38.000 0.117 0.000 1.267 300 I HN 0.250 nan 8.210 nan 0.000 0.430 301 L N 6.621 127.930 121.223 0.144 0.000 2.462 301 L HA 0.095 4.441 4.340 0.011 0.000 0.272 301 L C 1.610 178.487 176.870 0.011 0.000 1.166 301 L CA 0.536 55.393 54.840 0.029 0.000 0.880 301 L CB 0.961 43.070 42.059 0.083 0.000 1.142 301 L HN 0.811 nan 8.230 nan 0.000 0.473 302 T N -1.383 113.140 114.554 -0.053 0.000 3.067 302 T HA 0.047 4.404 4.350 0.011 0.000 0.261 302 T C 0.756 175.441 174.700 -0.026 0.000 1.110 302 T CA 0.521 62.597 62.100 -0.039 0.000 1.113 302 T CB 0.164 68.980 68.868 -0.086 0.000 0.917 302 T HN 0.637 nan 8.240 nan 0.000 0.499 303 S N -0.262 115.429 115.700 -0.015 0.000 2.636 303 S HA 0.474 4.951 4.470 0.011 0.000 0.268 303 S C -2.047 172.579 174.600 0.044 0.000 1.159 303 S CA -1.187 57.023 58.200 0.017 0.000 0.815 303 S CB 1.028 64.239 63.200 0.020 0.000 1.130 303 S HN 0.076 nan 8.310 nan 0.000 0.471 304 D N 1.001 121.429 120.400 0.047 0.000 2.443 304 D HA 0.468 5.115 4.640 0.011 0.000 0.239 304 D C -0.832 175.542 176.300 0.122 0.000 1.136 304 D CA 0.969 55.004 54.000 0.058 0.000 0.879 304 D CB 0.102 40.920 40.800 0.031 0.000 1.195 304 D HN 0.545 nan 8.370 nan 0.000 0.443 305 Y N 0.268 120.512 120.300 -0.094 0.000 2.424 305 Y HA 0.159 4.715 4.550 0.011 0.000 0.323 305 Y C -1.203 174.633 175.900 -0.107 0.000 1.174 305 Y CA -0.995 56.994 58.100 -0.185 0.000 1.060 305 Y CB 1.215 39.418 38.460 -0.427 0.000 1.314 305 Y HN 0.348 nan 8.280 nan 0.000 0.439 306 E N 5.959 125.893 120.200 -0.443 0.000 2.194 306 E HA 0.369 4.726 4.350 0.011 0.000 0.284 306 E C -1.915 174.220 176.600 -0.776 0.000 1.035 306 E CA -0.444 55.692 56.400 -0.441 0.000 0.836 306 E CB 0.620 30.178 29.700 -0.236 0.000 1.070 306 E HN 0.458 nan 8.360 nan 0.000 0.401 307 F N 5.560 125.107 119.950 -0.672 0.000 2.499 307 F HA 0.247 4.780 4.527 0.010 0.000 0.333 307 F C -0.481 175.210 175.800 -0.182 0.000 1.138 307 F CA -0.640 57.055 58.000 -0.508 0.000 0.945 307 F CB 0.605 39.461 39.000 -0.241 0.000 1.181 307 F HN 0.660 nan 8.300 nan 0.000 0.435 308 H N 4.317 123.027 119.070 -0.600 0.000 2.604 308 H HA -0.189 4.373 4.556 0.011 0.000 0.321 308 H C 1.401 176.564 175.328 -0.275 0.000 1.132 308 H CA 1.257 57.014 56.048 -0.485 0.000 1.129 308 H CB -0.979 28.380 29.762 -0.672 0.000 1.526 308 H HN 1.223 nan 8.280 nan 0.000 0.415 309 G N -1.141 107.558 108.800 -0.168 0.000 2.184 309 G HA2 -0.305 3.662 3.960 0.011 0.000 0.264 309 G HA3 -0.305 3.662 3.960 0.011 0.000 0.264 309 G C 0.228 175.090 174.900 -0.062 0.000 0.975 309 G CA 0.313 45.358 45.100 -0.092 0.000 0.642 309 G HN 0.503 nan 8.290 nan 0.000 0.536 310 V N 0.485 120.340 119.914 -0.099 0.000 2.495 310 V HA 0.598 4.725 4.120 0.011 0.000 0.298 310 V C 0.297 176.324 176.094 -0.113 0.000 1.031 310 V CA -0.864 61.377 62.300 -0.097 0.000 0.871 310 V CB 1.852 33.556 31.823 -0.197 0.000 0.988 310 V HN 0.337 nan 8.190 nan 0.000 0.432 311 Q N 4.299 124.090 119.800 -0.014 0.000 2.307 311 Q HA 0.454 4.800 4.340 0.011 0.000 0.261 311 Q C -1.083 175.001 176.000 0.140 0.000 1.051 311 Q CA 0.408 56.236 55.803 0.042 0.000 0.911 311 Q CB 0.489 29.289 28.738 0.102 0.000 1.227 311 Q HN 0.668 nan 8.270 nan 0.000 0.418 312 L N 3.236 124.493 121.223 0.057 0.000 2.334 312 L HA 0.587 4.934 4.340 0.011 0.000 0.275 312 L C 0.049 177.012 176.870 0.155 0.000 1.036 312 L CA -0.913 54.036 54.840 0.182 0.000 0.807 312 L CB 1.582 43.662 42.059 0.034 0.000 1.231 312 L HN 0.466 nan 8.230 nan 0.000 0.438 313 K N 2.116 122.616 120.400 0.167 0.000 2.207 313 K HA 0.273 4.600 4.320 0.011 0.000 0.255 313 K C -0.503 176.129 176.600 0.053 0.000 0.941 313 K CA -0.858 55.396 56.287 -0.055 0.000 0.825 313 K CB 1.683 33.878 32.500 -0.509 0.000 1.119 313 K HN 0.451 nan 8.250 nan 0.000 0.430 314 K N 1.899 122.312 120.400 0.022 0.000 2.530 314 K HA -0.108 4.219 4.320 0.011 0.000 0.280 314 K C 0.604 177.246 176.600 0.070 0.000 1.004 314 K CA 1.772 58.084 56.287 0.042 0.000 1.071 314 K CB -0.098 32.415 32.500 0.021 0.000 0.876 314 K HN 0.843 nan 8.250 nan 0.000 0.487 315 G N 2.975 111.834 108.800 0.099 0.000 2.241 315 G HA2 -0.233 3.734 3.960 0.011 0.000 0.244 315 G HA3 -0.233 3.734 3.960 0.011 0.000 0.244 315 G C -0.345 174.673 174.900 0.196 0.000 0.998 315 G CA 0.185 45.360 45.100 0.124 0.000 0.621 315 G HN 0.744 nan 8.290 nan 0.000 0.519 316 D N 1.656 122.222 120.400 0.277 0.000 2.443 316 D HA 0.389 5.036 4.640 0.011 0.000 0.239 316 D C 0.940 177.480 176.300 0.401 0.000 1.136 316 D CA 0.557 54.824 54.000 0.445 0.000 0.879 316 D CB 0.487 41.724 40.800 0.728 0.000 1.195 316 D HN 0.529 nan 8.370 nan 0.000 0.443 317 Q N 0.883 120.901 119.800 0.363 0.000 2.230 317 Q HA 0.568 4.914 4.340 0.011 0.000 0.248 317 Q C -0.297 175.932 176.000 0.382 0.000 0.915 317 Q CA -0.529 55.443 55.803 0.283 0.000 0.900 317 Q CB 2.265 31.097 28.738 0.156 0.000 1.229 317 Q HN 0.470 nan 8.270 nan 0.000 0.439 318 I N 2.599 123.353 120.570 0.307 0.000 2.478 318 I HA 0.242 4.418 4.170 0.011 0.000 0.287 318 I C -1.567 174.633 176.117 0.138 0.000 1.042 318 I CA -1.097 60.389 61.300 0.310 0.000 1.067 318 I CB 1.201 39.373 38.000 0.286 0.000 1.233 318 I HN 0.486 nan 8.210 nan 0.000 0.431 319 L N 8.368 129.691 121.223 0.166 0.000 2.331 319 L HA 0.422 4.769 4.340 0.011 0.000 0.278 319 L C -1.130 175.779 176.870 0.065 0.000 1.106 319 L CA 0.284 55.181 54.840 0.096 0.000 0.824 319 L CB 0.794 42.941 42.059 0.147 0.000 1.142 319 L HN 0.549 nan 8.230 nan 0.000 0.443 320 L N 7.614 128.845 121.223 0.013 0.000 2.495 320 L HA 0.384 4.731 4.340 0.011 0.000 0.248 320 L C -2.258 174.684 176.870 0.120 0.000 1.229 320 L CA -1.630 53.165 54.840 -0.076 0.000 0.942 320 L CB 1.040 42.764 42.059 -0.557 0.000 1.242 320 L HN 0.492 nan 8.230 nan 0.000 0.484 321 P HA 0.128 nan 4.420 nan 0.000 0.269 321 P C 0.247 177.558 177.300 0.018 0.000 1.252 321 P CA -0.157 62.970 63.100 0.045 0.000 0.780 321 P CB 1.058 32.784 31.700 0.043 0.000 0.829 322 Q N 3.148 122.963 119.800 0.026 0.000 2.173 322 Q HA -0.242 4.104 4.340 0.011 0.000 0.208 322 Q C 1.908 177.840 176.000 -0.114 0.000 0.989 322 Q CA 2.182 57.970 55.803 -0.025 0.000 0.872 322 Q CB -0.862 27.823 28.738 -0.088 0.000 0.909 322 Q HN 0.602 nan 8.270 nan 0.000 0.420 323 M N -1.356 118.113 119.600 -0.217 0.000 2.213 323 M HA -0.133 4.354 4.480 0.011 0.000 0.263 323 M C 1.425 177.609 176.300 -0.194 0.000 1.062 323 M CA 1.647 56.784 55.300 -0.273 0.000 1.105 323 M CB -0.163 32.167 32.600 -0.451 0.000 1.385 323 M HN 0.161 nan 8.290 nan 0.000 0.417 324 L N -0.009 121.134 121.223 -0.133 0.000 2.179 324 L HA -0.054 4.293 4.340 0.011 0.000 0.208 324 L C 2.564 179.392 176.870 -0.070 0.000 1.096 324 L CA 0.741 55.533 54.840 -0.080 0.000 0.779 324 L CB -0.603 41.438 42.059 -0.030 0.000 0.922 324 L HN 0.415 nan 8.230 nan 0.000 0.443 325 S N 0.415 116.080 115.700 -0.058 0.000 2.359 325 S HA -0.185 4.292 4.470 0.011 0.000 0.223 325 S C 1.942 176.511 174.600 -0.053 0.000 1.039 325 S CA 1.587 59.756 58.200 -0.052 0.000 1.042 325 S CB -0.681 62.493 63.200 -0.043 0.000 0.915 325 S HN 0.606 nan 8.310 nan 0.000 0.439 326 G N 0.661 109.432 108.800 -0.047 0.000 2.534 326 G HA2 0.034 4.001 3.960 0.011 0.000 0.217 326 G HA3 0.034 4.001 3.960 0.011 0.000 0.217 326 G C 1.126 175.979 174.900 -0.078 0.000 1.128 326 G CA 0.169 45.246 45.100 -0.038 0.000 0.784 326 G HN 0.449 nan 8.290 nan 0.000 0.542 327 L N 0.246 121.411 121.223 -0.097 0.000 2.558 327 L HA 0.166 4.513 4.340 0.011 0.000 0.225 327 L C 0.565 177.390 176.870 -0.076 0.000 1.128 327 L CA -0.271 54.507 54.840 -0.103 0.000 0.868 327 L CB 0.057 42.047 42.059 -0.115 0.000 1.006 327 L HN 0.023 nan 8.230 nan 0.000 0.454 328 D N 1.555 121.915 120.400 -0.067 0.000 2.371 328 D HA -0.090 4.556 4.640 0.011 0.000 0.256 328 D C 1.360 177.628 176.300 -0.053 0.000 1.193 328 D CA 0.106 54.069 54.000 -0.061 0.000 0.881 328 D CB 1.057 41.819 40.800 -0.062 0.000 1.143 328 D HN 0.273 nan 8.370 nan 0.000 0.473 329 E N 4.459 124.630 120.200 -0.049 0.000 2.209 329 E HA -0.253 4.104 4.350 0.011 0.000 0.196 329 E C 0.875 177.453 176.600 -0.037 0.000 0.993 329 E CA 0.832 57.208 56.400 -0.040 0.000 0.819 329 E CB 0.018 29.696 29.700 -0.038 0.000 0.745 329 E HN 0.489 nan 8.360 nan 0.000 0.477 330 R N 0.115 120.589 120.500 -0.042 0.000 2.316 330 R HA 0.019 4.365 4.340 0.011 0.000 0.202 330 R C 1.706 177.983 176.300 -0.037 0.000 1.029 330 R CA 0.977 57.053 56.100 -0.040 0.000 1.018 330 R CB 0.075 30.346 30.300 -0.047 0.000 0.888 330 R HN 0.348 nan 8.270 nan 0.000 0.471 331 E N -0.470 119.707 120.200 -0.039 0.000 2.364 331 E HA 0.132 4.489 4.350 0.011 0.000 0.203 331 E C -0.236 176.348 176.600 -0.026 0.000 0.888 331 E CA 0.147 56.526 56.400 -0.036 0.000 0.989 331 E CB 0.703 30.377 29.700 -0.044 0.000 0.985 331 E HN 0.181 nan 8.360 nan 0.000 0.499 332 N N 0.601 119.285 118.700 -0.026 0.000 2.500 332 N HA 0.268 5.014 4.740 0.011 0.000 0.291 332 N C -1.111 174.389 175.510 -0.016 0.000 1.092 332 N CA -0.155 52.885 53.050 -0.017 0.000 0.890 332 N CB 2.068 40.543 38.487 -0.020 0.000 1.466 332 N HN -0.023 nan 8.380 nan 0.000 0.507 333 A N 1.555 124.371 122.820 -0.007 0.000 2.498 333 A HA 0.471 4.798 4.320 0.011 0.000 0.239 333 A C 1.019 178.603 177.584 -0.000 0.000 1.068 333 A CA 0.537 52.569 52.037 -0.008 0.000 0.766 333 A CB -0.152 18.845 19.000 -0.005 0.000 1.003 333 A HN 1.249 nan 8.150 nan 0.000 0.497 334 A N 2.983 125.797 122.820 -0.010 0.000 2.362 334 A HA -0.080 4.246 4.320 0.011 0.000 0.290 334 A C -0.715 176.877 177.584 0.013 0.000 1.441 334 A CA 0.600 52.634 52.037 -0.004 0.000 0.743 334 A CB -1.535 17.453 19.000 -0.020 0.000 1.125 334 A HN 0.756 nan 8.150 nan 0.000 0.378 335 P HA -0.186 nan 4.420 nan 0.000 0.218 335 P C 1.377 178.621 177.300 -0.093 0.000 1.148 335 P CA 1.303 64.369 63.100 -0.056 0.000 0.822 335 P CB -0.085 31.575 31.700 -0.067 0.000 0.784 336 M N -1.815 117.746 119.600 -0.066 0.000 2.562 336 M HA -0.015 4.471 4.480 0.011 0.000 0.257 336 M C 1.243 177.496 176.300 -0.078 0.000 1.099 336 M CA 0.479 55.721 55.300 -0.096 0.000 1.099 336 M CB -1.785 30.786 32.600 -0.049 0.000 1.427 336 M HN 0.105 nan 8.290 nan 0.000 0.489 337 H N 0.880 119.875 119.070 -0.125 0.000 2.646 337 H HA 0.303 4.865 4.556 0.011 0.000 0.325 337 H C -1.094 174.140 175.328 -0.157 0.000 1.075 337 H CA -0.284 55.704 56.048 -0.099 0.000 1.421 337 H CB 1.381 31.114 29.762 -0.048 0.000 1.461 337 H HN -0.173 nan 8.280 nan 0.000 0.525 338 V N 6.258 125.787 119.914 -0.642 0.000 2.364 338 V HA 0.066 4.193 4.120 0.011 0.000 0.272 338 V C 0.116 175.832 176.094 -0.630 0.000 1.036 338 V CA -0.326 61.597 62.300 -0.627 0.000 0.880 338 V CB 1.102 32.416 31.823 -0.848 0.000 0.991 338 V HN 0.724 nan 8.190 nan 0.000 0.460 339 D N 4.083 124.269 120.400 -0.357 0.000 2.473 339 D HA 0.334 4.981 4.640 0.011 0.000 0.253 339 D C 0.438 176.779 176.300 0.068 0.000 1.233 339 D CA -0.513 53.386 54.000 -0.169 0.000 0.908 339 D CB 1.324 42.114 40.800 -0.017 0.000 1.170 339 D HN 0.249 nan 8.370 nan 0.000 0.558 340 F N 1.152 121.158 119.950 0.093 0.000 2.451 340 F HA -0.019 4.514 4.527 0.010 0.000 0.299 340 F C 2.008 177.850 175.800 0.070 0.000 1.101 340 F CA 0.447 58.502 58.000 0.092 0.000 1.436 340 F CB -0.295 38.785 39.000 0.133 0.000 1.074 340 F HN 0.221 nan 8.300 nan 0.000 0.553 341 S N -0.414 115.420 115.700 0.223 0.000 2.506 341 S HA 0.167 4.644 4.470 0.011 0.000 0.245 341 S C 0.644 175.310 174.600 0.109 0.000 1.088 341 S CA -0.535 57.752 58.200 0.145 0.000 1.099 341 S CB -0.196 63.074 63.200 0.116 0.000 0.805 341 S HN 0.116 nan 8.310 nan 0.000 0.461 342 R N 2.224 122.791 120.500 0.112 0.000 2.537 342 R HA 0.046 4.393 4.340 0.011 0.000 0.280 342 R C 1.745 178.090 176.300 0.075 0.000 1.058 342 R CA 0.074 56.224 56.100 0.084 0.000 1.057 342 R CB 0.443 30.788 30.300 0.075 0.000 0.973 342 R HN 0.374 nan 8.270 nan 0.000 0.438 343 Q N 2.638 122.473 119.800 0.058 0.000 2.123 343 Q HA -0.067 4.279 4.340 0.011 0.000 0.196 343 Q C 0.039 176.065 176.000 0.042 0.000 0.958 343 Q CA 1.124 56.956 55.803 0.049 0.000 0.841 343 Q CB 0.055 28.817 28.738 0.039 0.000 0.915 343 Q HN 0.211 nan 8.270 nan 0.000 0.455 344 K N 1.378 121.799 120.400 0.036 0.000 2.579 344 K HA 0.336 4.663 4.320 0.011 0.000 0.225 344 K C -1.656 174.960 176.600 0.027 0.000 0.992 344 K CA -0.343 55.960 56.287 0.027 0.000 1.018 344 K CB 1.534 34.043 32.500 0.016 0.000 1.249 344 K HN -0.094 nan 8.250 nan 0.000 0.489 345 V N 4.344 124.284 119.914 0.043 0.000 2.370 345 V HA 0.195 4.322 4.120 0.011 0.000 0.257 345 V C -0.086 176.028 176.094 0.032 0.000 1.064 345 V CA -0.334 62.003 62.300 0.062 0.000 0.975 345 V CB 0.277 32.166 31.823 0.111 0.000 1.067 345 V HN 0.833 nan 8.190 nan 0.000 0.485 346 S N 4.753 120.456 115.700 0.005 0.000 2.489 346 S HA 0.859 5.336 4.470 0.011 0.000 0.291 346 S C -0.611 173.985 174.600 -0.008 0.000 1.151 346 S CA -0.658 57.506 58.200 -0.061 0.000 1.082 346 S CB 1.542 64.706 63.200 -0.060 0.000 1.019 346 S HN 1.068 nan 8.310 nan 0.000 0.492 347 H N -1.643 117.399 119.070 -0.047 0.000 2.987 347 H HA 0.597 5.160 4.556 0.012 0.000 0.316 347 H C -0.616 174.673 175.328 -0.065 0.000 1.380 347 H CA -0.450 55.551 56.048 -0.077 0.000 1.160 347 H CB 0.685 30.385 29.762 -0.104 0.000 1.865 347 H HN 0.546 nan 8.280 nan 0.000 0.521 348 T N -1.932 112.695 114.554 0.121 0.000 3.374 348 T HA 0.184 4.541 4.350 0.011 0.000 0.267 348 T C 0.387 175.127 174.700 0.068 0.000 0.996 348 T CA 0.058 62.211 62.100 0.088 0.000 0.977 348 T CB -0.439 68.434 68.868 0.008 0.000 1.149 348 T HN 0.629 nan 8.240 nan 0.000 0.517 349 T N 1.251 115.872 114.554 0.111 0.000 2.833 349 T HA 0.041 4.397 4.350 0.011 0.000 0.269 349 T C 0.518 174.969 174.700 -0.416 0.000 1.054 349 T CA 1.187 63.089 62.100 -0.330 0.000 1.135 349 T CB -0.380 68.033 68.868 -0.758 0.000 0.869 349 T HN 0.510 nan 8.240 nan 0.000 0.466 350 F N 1.160 121.106 119.950 -0.007 0.000 2.692 350 F HA 0.444 4.977 4.527 0.010 0.000 0.303 350 F C 1.684 177.447 175.800 -0.062 0.000 1.114 350 F CA -0.202 57.768 58.000 -0.049 0.000 1.361 350 F CB -0.600 38.373 39.000 -0.044 0.000 1.063 350 F HN 0.291 nan 8.300 nan 0.000 0.550 351 G N 0.065 108.882 108.800 0.027 0.000 2.615 351 G HA2 -0.112 3.855 3.960 0.011 0.000 0.218 351 G HA3 -0.112 3.855 3.960 0.011 0.000 0.218 351 G C -1.296 173.616 174.900 0.020 0.000 1.339 351 G CA -0.327 44.707 45.100 -0.110 0.000 0.884 351 G HN 0.579 nan 8.290 nan 0.000 0.559 352 H N -1.250 117.704 119.070 -0.194 0.000 3.081 352 H HA 0.658 5.220 4.556 0.010 0.000 0.322 352 H C 0.530 175.875 175.328 0.028 0.000 1.266 352 H CA 1.917 57.938 56.048 -0.045 0.000 1.279 352 H CB 1.074 30.853 29.762 0.027 0.000 1.954 352 H HN 2.696 nan 8.280 nan 0.000 0.530 353 G N 1.153 109.655 108.800 -0.496 0.000 2.542 353 G HA2 -0.246 3.720 3.960 0.011 0.000 0.235 353 G HA3 -0.246 3.720 3.960 0.011 0.000 0.235 353 G C 1.203 176.055 174.900 -0.081 0.000 1.286 353 G CA 0.628 45.611 45.100 -0.195 0.000 0.904 353 G HN 1.459 nan 8.290 nan 0.000 0.577 354 S N -1.058 114.629 115.700 -0.022 0.000 2.442 354 S HA -0.092 4.385 4.470 0.011 0.000 0.236 354 S C 1.446 175.901 174.600 -0.243 0.000 1.007 354 S CA 1.988 60.092 58.200 -0.160 0.000 0.965 354 S CB -0.296 62.730 63.200 -0.289 0.000 0.773 354 S HN 0.748 nan 8.310 nan 0.000 0.504 355 H N 0.380 119.437 119.070 -0.021 0.000 2.529 355 H HA 0.341 4.903 4.556 0.011 0.000 0.277 355 H C 0.403 175.712 175.328 -0.032 0.000 1.004 355 H CA -0.438 55.602 56.048 -0.014 0.000 1.167 355 H CB -0.121 29.649 29.762 0.013 0.000 1.445 355 H HN 0.327 nan 8.280 nan 0.000 0.554 356 L N 2.021 123.260 121.223 0.026 0.000 2.720 356 L HA -0.131 4.216 4.340 0.011 0.000 0.289 356 L C 0.589 177.463 176.870 0.008 0.000 1.232 356 L CA 0.198 55.043 54.840 0.008 0.000 0.915 356 L CB 0.005 42.051 42.059 -0.021 0.000 1.184 356 L HN 0.300 nan 8.230 nan 0.000 0.491 357 C N 6.467 125.786 119.300 0.032 0.000 2.419 357 C HA -0.035 4.431 4.460 0.011 0.000 0.398 357 C C 1.927 176.854 174.990 -0.105 0.000 1.498 357 C CA -0.129 58.893 59.018 0.007 0.000 1.494 357 C CB -1.446 26.352 27.740 0.097 0.000 2.485 357 C HN 0.939 nan 8.230 nan 0.000 0.608 358 L N 5.022 126.216 121.223 -0.049 0.000 2.291 358 L HA 0.093 4.440 4.340 0.011 0.000 0.214 358 L C 2.426 179.234 176.870 -0.104 0.000 1.120 358 L CA 1.450 56.253 54.840 -0.062 0.000 0.799 358 L CB -0.390 41.669 42.059 0.000 0.000 0.925 358 L HN 0.976 nan 8.230 nan 0.000 0.446 359 G N -0.629 108.108 108.800 -0.105 0.000 3.141 359 G HA2 -0.063 3.904 3.960 0.011 0.000 0.218 359 G HA3 -0.063 3.904 3.960 0.011 0.000 0.218 359 G C 1.336 176.075 174.900 -0.269 0.000 1.170 359 G CA 0.029 45.064 45.100 -0.109 0.000 0.769 359 G HN 0.529 nan 8.290 nan 0.000 0.546 360 Q N -0.208 119.241 119.800 -0.586 0.000 2.135 360 Q HA -0.198 4.148 4.340 0.011 0.000 0.204 360 Q C 1.812 177.344 176.000 -0.780 0.000 0.981 360 Q CA 1.410 56.495 55.803 -1.197 0.000 0.856 360 Q CB -0.503 27.221 28.738 -1.690 0.000 0.902 360 Q HN 0.465 nan 8.270 nan 0.000 0.425 361 H N 0.371 119.265 119.070 -0.292 0.000 2.363 361 H HA -0.048 4.515 4.556 0.011 0.000 0.301 361 H C 2.172 177.447 175.328 -0.088 0.000 1.074 361 H CA 1.333 57.288 56.048 -0.155 0.000 1.354 361 H CB -0.233 29.465 29.762 -0.105 0.000 1.397 361 H HN 0.267 nan 8.280 nan 0.000 0.516 362 L N 1.305 122.538 121.223 0.016 0.000 2.017 362 L HA -0.053 4.293 4.340 0.011 0.000 0.208 362 L C 2.555 179.441 176.870 0.028 0.000 1.073 362 L CA 1.848 56.699 54.840 0.019 0.000 0.745 362 L CB -0.983 41.080 42.059 0.006 0.000 0.894 362 L HN 0.176 nan 8.230 nan 0.000 0.432 363 A N -0.309 122.513 122.820 0.002 0.000 1.883 363 A HA -0.254 4.073 4.320 0.011 0.000 0.217 363 A C 2.432 180.100 177.584 0.140 0.000 1.186 363 A CA 2.017 54.109 52.037 0.092 0.000 0.624 363 A CB -0.603 18.499 19.000 0.170 0.000 0.822 363 A HN 0.528 nan 8.150 nan 0.000 0.444 364 R N -1.177 119.376 120.500 0.088 0.000 2.081 364 R HA -0.081 4.266 4.340 0.011 0.000 0.235 364 R C 2.440 178.827 176.300 0.145 0.000 1.131 364 R CA 1.206 57.384 56.100 0.130 0.000 0.960 364 R CB -0.287 30.072 30.300 0.099 0.000 0.856 364 R HN 0.357 nan 8.270 nan 0.000 0.436 365 R N 1.112 121.686 120.500 0.124 0.000 2.081 365 R HA -0.132 4.215 4.340 0.011 0.000 0.235 365 R C 2.025 178.449 176.300 0.206 0.000 1.131 365 R CA 1.455 57.638 56.100 0.138 0.000 0.960 365 R CB -0.385 29.977 30.300 0.105 0.000 0.856 365 R HN 0.454 nan 8.270 nan 0.000 0.436 366 E N 0.245 120.581 120.200 0.227 0.000 2.085 366 E HA -0.173 4.184 4.350 0.011 0.000 0.194 366 E C 2.127 179.011 176.600 0.474 0.000 0.994 366 E CA 1.254 57.895 56.400 0.402 0.000 0.801 366 E CB -0.214 29.653 29.700 0.278 0.000 0.743 366 E HN 0.300 nan 8.360 nan 0.000 0.453 367 I N 0.713 121.497 120.570 0.355 0.000 2.202 367 I HA -0.253 3.923 4.170 0.011 0.000 0.242 367 I C 2.370 178.630 176.117 0.239 0.000 1.091 367 I CA 0.962 62.465 61.300 0.338 0.000 1.368 367 I CB -0.164 38.059 38.000 0.371 0.000 1.058 367 I HN 0.066 nan 8.210 nan 0.000 0.410 368 I N -0.023 120.666 120.570 0.199 0.000 2.142 368 I HA -0.276 3.901 4.170 0.011 0.000 0.240 368 I C 2.523 178.721 176.117 0.135 0.000 1.078 368 I CA 1.328 62.711 61.300 0.140 0.000 1.343 368 I CB -0.326 37.743 38.000 0.116 0.000 1.046 368 I HN 0.001 nan 8.210 nan 0.000 0.405 369 V N 0.357 120.375 119.914 0.173 0.000 2.332 369 V HA -0.324 3.803 4.120 0.011 0.000 0.248 369 V C 2.484 178.660 176.094 0.137 0.000 1.055 369 V CA 2.522 64.922 62.300 0.166 0.000 1.038 369 V CB -1.048 30.914 31.823 0.233 0.000 0.651 369 V HN 0.487 nan 8.190 nan 0.000 0.450 370 T N 0.532 115.180 114.554 0.157 0.000 2.652 370 T HA -0.195 4.162 4.350 0.011 0.000 0.267 370 T C 1.873 176.599 174.700 0.043 0.000 1.039 370 T CA 1.908 64.048 62.100 0.067 0.000 1.153 370 T CB -0.363 68.575 68.868 0.117 0.000 0.863 370 T HN 0.312 nan 8.240 nan 0.000 0.428 371 L N 0.185 121.443 121.223 0.058 0.000 2.017 371 L HA -0.116 4.231 4.340 0.011 0.000 0.208 371 L C 2.681 179.593 176.870 0.071 0.000 1.073 371 L CA 1.468 56.333 54.840 0.041 0.000 0.745 371 L CB -0.433 41.645 42.059 0.031 0.000 0.894 371 L HN 0.193 nan 8.230 nan 0.000 0.432 372 K N -0.355 120.084 120.400 0.065 0.000 2.026 372 K HA -0.168 4.159 4.320 0.011 0.000 0.208 372 K C 2.160 178.789 176.600 0.048 0.000 1.048 372 K CA 1.311 57.632 56.287 0.055 0.000 0.929 372 K CB -0.009 32.523 32.500 0.054 0.000 0.713 372 K HN 0.171 nan 8.250 nan 0.000 0.439 373 E N -0.189 120.040 120.200 0.049 0.000 2.107 373 E HA -0.178 4.179 4.350 0.011 0.000 0.191 373 E C 1.659 178.245 176.600 -0.025 0.000 0.982 373 E CA 0.667 57.075 56.400 0.014 0.000 0.809 373 E CB -0.186 29.529 29.700 0.024 0.000 0.756 373 E HN 0.465 nan 8.360 nan 0.000 0.459 374 W N 1.371 122.556 121.300 -0.191 0.000 2.378 374 W HA -0.076 4.590 4.660 0.010 0.000 0.313 374 W C 1.801 178.201 176.519 -0.199 0.000 1.197 374 W CA 0.903 58.077 57.345 -0.284 0.000 1.304 374 W CB -0.344 28.868 29.460 -0.413 0.000 1.148 374 W HN 0.019 nan 8.180 nan 0.000 0.494 375 L N 0.280 121.616 121.223 0.190 0.000 2.201 375 L HA -0.187 4.160 4.340 0.011 0.000 0.212 375 L C 2.344 179.234 176.870 0.032 0.000 1.105 375 L CA 1.437 56.376 54.840 0.165 0.000 0.775 375 L CB -1.068 41.088 42.059 0.163 0.000 0.913 375 L HN -0.151 nan 8.230 nan 0.000 0.440 376 T N -0.648 113.897 114.554 -0.015 0.000 2.821 376 T HA -0.113 4.244 4.350 0.011 0.000 0.267 376 T C 2.037 176.678 174.700 -0.099 0.000 1.046 376 T CA 1.218 63.293 62.100 -0.042 0.000 1.139 376 T CB -0.001 68.847 68.868 -0.034 0.000 0.871 376 T HN 0.339 nan 8.240 nan 0.000 0.454 377 R N -0.090 120.293 120.500 -0.195 0.000 2.146 377 R HA 0.337 4.684 4.340 0.011 0.000 0.206 377 R C 0.451 176.532 176.300 -0.365 0.000 1.049 377 R CA 0.611 56.546 56.100 -0.274 0.000 1.029 377 R CB 0.472 30.563 30.300 -0.348 0.000 0.949 377 R HN 0.303 nan 8.270 nan 0.000 0.471 378 I N 2.250 122.520 120.570 -0.499 0.000 2.862 378 I HA 0.192 4.369 4.170 0.011 0.000 0.285 378 I C -2.019 174.053 176.117 -0.076 0.000 1.339 378 I CA -1.605 59.371 61.300 -0.541 0.000 1.002 378 I CB 1.982 39.192 38.000 -1.317 0.000 1.618 378 I HN -0.143 nan 8.210 nan 0.000 0.593 379 P HA -0.076 nan 4.420 nan 0.000 0.221 379 P C 0.206 177.584 177.300 0.130 0.000 1.150 379 P CA 1.238 64.405 63.100 0.113 0.000 0.800 379 P CB 0.464 32.187 31.700 0.037 0.000 0.787 380 D N -0.043 120.438 120.400 0.136 0.000 2.481 380 D HA 0.371 5.017 4.640 0.011 0.000 0.246 380 D C -0.869 175.576 176.300 0.242 0.000 1.109 380 D CA -0.687 53.351 54.000 0.063 0.000 0.845 380 D CB 0.801 41.635 40.800 0.057 0.000 1.160 380 D HN -0.092 nan 8.370 nan 0.000 0.534 381 F N 0.199 120.217 119.950 0.113 0.000 2.685 381 F HA 0.786 5.319 4.527 0.010 0.000 0.315 381 F C -0.945 174.929 175.800 0.123 0.000 1.126 381 F CA -0.923 57.201 58.000 0.207 0.000 0.950 381 F CB 1.145 40.302 39.000 0.263 0.000 1.360 381 F HN 0.039 nan 8.300 nan 0.000 0.469 382 S N 0.916 116.805 115.700 0.314 0.000 2.638 382 S HA 0.608 5.085 4.470 0.011 0.000 0.274 382 S C -1.206 173.512 174.600 0.196 0.000 1.157 382 S CA -0.803 57.479 58.200 0.136 0.000 0.826 382 S CB 1.779 65.023 63.200 0.074 0.000 1.139 382 S HN 0.596 nan 8.310 nan 0.000 0.474 383 I N 2.067 122.698 120.570 0.103 0.000 2.648 383 I HA 0.184 4.361 4.170 0.011 0.000 0.284 383 I C 1.072 177.238 176.117 0.081 0.000 1.153 383 I CA -0.324 61.030 61.300 0.089 0.000 1.426 383 I CB -0.282 37.745 38.000 0.045 0.000 1.381 383 I HN 0.857 nan 8.210 nan 0.000 0.571 384 A N 9.013 131.881 122.820 0.080 0.000 2.546 384 A HA 0.268 4.595 4.320 0.011 0.000 0.243 384 A C -2.041 175.563 177.584 0.035 0.000 1.063 384 A CA -0.784 51.285 52.037 0.054 0.000 0.757 384 A CB -0.920 18.106 19.000 0.044 0.000 0.991 384 A HN 0.527 nan 8.150 nan 0.000 0.503 385 P HA 0.177 nan 4.420 nan 0.000 0.260 385 P C 1.114 178.422 177.300 0.013 0.000 1.172 385 P CA 2.014 65.124 63.100 0.016 0.000 0.760 385 P CB 0.418 32.124 31.700 0.010 0.000 0.773 386 G N 2.385 111.192 108.800 0.012 0.000 2.179 386 G HA2 -0.231 3.736 3.960 0.011 0.000 0.260 386 G HA3 -0.231 3.736 3.960 0.011 0.000 0.260 386 G C 0.445 175.352 174.900 0.012 0.000 0.977 386 G CA 0.003 45.109 45.100 0.010 0.000 0.641 386 G HN 0.861 nan 8.290 nan 0.000 0.533 387 A N -0.125 122.706 122.820 0.017 0.000 2.450 387 A HA 0.657 4.984 4.320 0.011 0.000 0.255 387 A C 0.388 177.983 177.584 0.017 0.000 1.096 387 A CA 0.699 52.748 52.037 0.020 0.000 0.778 387 A CB 0.507 19.524 19.000 0.029 0.000 1.031 387 A HN 0.646 nan 8.150 nan 0.000 0.494 388 Q N 2.651 122.460 119.800 0.014 0.000 2.368 388 Q HA 0.397 4.743 4.340 0.011 0.000 0.256 388 Q C -0.647 175.360 176.000 0.012 0.000 0.980 388 Q CA -0.540 55.268 55.803 0.008 0.000 0.887 388 Q CB 0.512 29.253 28.738 0.004 0.000 1.221 388 Q HN 0.659 nan 8.270 nan 0.000 0.458 389 I N 4.297 124.873 120.570 0.010 0.000 2.587 389 I HA 0.004 4.181 4.170 0.011 0.000 0.284 389 I C 0.201 176.327 176.117 0.016 0.000 1.134 389 I CA 0.326 61.645 61.300 0.031 0.000 1.410 389 I CB 0.407 38.439 38.000 0.052 0.000 1.392 389 I HN 0.601 nan 8.210 nan 0.000 0.545 390 Q N 6.539 126.381 119.800 0.071 0.000 2.257 390 Q HA 0.388 4.735 4.340 0.011 0.000 0.255 390 Q C -0.338 175.805 176.000 0.239 0.000 0.920 390 Q CA -0.314 55.543 55.803 0.090 0.000 0.927 390 Q CB 1.754 30.534 28.738 0.071 0.000 1.229 390 Q HN 0.565 nan 8.270 nan 0.000 0.433 391 H N 1.032 120.151 119.070 0.081 0.000 2.544 391 H HA 0.451 5.014 4.556 0.011 0.000 0.342 391 H C 0.115 175.507 175.328 0.108 0.000 1.185 391 H CA -0.828 55.291 56.048 0.117 0.000 1.264 391 H CB 1.697 31.590 29.762 0.219 0.000 1.607 391 H HN 0.400 nan 8.280 nan 0.000 0.550 392 K N 0.671 121.205 120.400 0.223 0.000 2.422 392 K HA 0.460 4.787 4.320 0.011 0.000 0.251 392 K C -1.294 175.431 176.600 0.209 0.000 0.933 392 K CA -0.785 55.604 56.287 0.171 0.000 0.798 392 K CB 2.593 35.153 32.500 0.101 0.000 1.238 392 K HN 0.438 nan 8.250 nan 0.000 0.428 393 S N 0.696 116.528 115.700 0.220 0.000 2.537 393 S HA 0.887 5.363 4.470 0.011 0.000 0.301 393 S C -0.350 174.382 174.600 0.220 0.000 1.092 393 S CA 0.318 58.691 58.200 0.289 0.000 1.048 393 S CB 1.279 64.687 63.200 0.347 0.000 1.053 393 S HN 1.047 nan 8.310 nan 0.000 0.501 394 G N 2.679 111.591 108.800 0.186 0.000 2.441 394 G HA2 0.205 4.172 3.960 0.011 0.000 0.225 394 G HA3 0.205 4.172 3.960 0.011 0.000 0.225 394 G C 0.282 175.146 174.900 -0.059 0.000 1.200 394 G CA -0.249 44.853 45.100 0.003 0.000 0.947 394 G HN 0.606 nan 8.290 nan 0.000 0.484 395 I N 0.083 120.590 120.570 -0.104 0.000 2.252 395 I HA 0.031 4.208 4.170 0.011 0.000 0.245 395 I C 0.479 176.511 176.117 -0.142 0.000 1.102 395 I CA 1.165 62.351 61.300 -0.190 0.000 1.385 395 I CB -0.058 37.688 38.000 -0.423 0.000 1.064 395 I HN 0.009 nan 8.210 nan 0.000 0.414 396 V N 1.102 120.960 119.914 -0.094 0.000 2.349 396 V HA 0.250 4.377 4.120 0.011 0.000 0.284 396 V C 0.052 176.150 176.094 0.007 0.000 1.014 396 V CA -0.580 61.691 62.300 -0.048 0.000 0.826 396 V CB 1.142 32.949 31.823 -0.027 0.000 1.009 396 V HN 0.098 nan 8.190 nan 0.000 0.431 397 S N 2.781 118.497 115.700 0.027 0.000 2.600 397 S HA 0.816 5.293 4.470 0.011 0.000 0.265 397 S C 0.602 175.314 174.600 0.186 0.000 1.325 397 S CA 0.333 58.609 58.200 0.128 0.000 1.002 397 S CB 1.514 64.785 63.200 0.118 0.000 0.921 397 S HN 1.175 nan 8.310 nan 0.000 0.554 398 G N -0.534 108.331 108.800 0.110 0.000 2.490 398 G HA2 0.490 4.457 3.960 0.011 0.000 0.308 398 G HA3 0.490 4.457 3.960 0.011 0.000 0.308 398 G C -1.929 172.680 174.900 -0.485 0.000 1.286 398 G CA -0.562 44.345 45.100 -0.321 0.000 0.825 398 G HN 0.640 nan 8.290 nan 0.000 0.479 399 V N 1.148 120.727 119.914 -0.558 0.000 2.417 399 V HA 0.317 4.444 4.120 0.011 0.000 0.291 399 V C 1.038 177.058 176.094 -0.122 0.000 1.024 399 V CA -0.400 61.703 62.300 -0.329 0.000 0.861 399 V CB 1.368 32.946 31.823 -0.407 0.000 0.985 399 V HN 0.847 nan 8.190 nan 0.000 0.436 400 Q N 2.809 122.602 119.800 -0.012 0.000 2.119 400 Q HA 0.142 4.488 4.340 0.011 0.000 0.201 400 Q C 0.643 176.643 176.000 0.001 0.000 0.972 400 Q CA 1.486 57.290 55.803 0.002 0.000 0.847 400 Q CB 0.372 29.129 28.738 0.032 0.000 0.903 400 Q HN 0.902 nan 8.270 nan 0.000 0.433 401 A N 0.071 122.900 122.820 0.015 0.000 2.605 401 A HA 0.533 4.860 4.320 0.011 0.000 0.294 401 A C -2.008 175.603 177.584 0.044 0.000 1.062 401 A CA -0.645 51.408 52.037 0.027 0.000 0.682 401 A CB 1.336 20.355 19.000 0.032 0.000 1.278 401 A HN 0.092 nan 8.150 nan 0.000 0.410 402 L N 2.437 123.702 121.223 0.070 0.000 2.490 402 L HA 0.531 4.878 4.340 0.011 0.000 0.256 402 L C -2.674 174.269 176.870 0.122 0.000 1.089 402 L CA -1.489 53.403 54.840 0.086 0.000 0.916 402 L CB 1.753 43.866 42.059 0.090 0.000 1.188 402 L HN 0.416 nan 8.230 nan 0.000 0.476 403 P HA 0.271 nan 4.420 nan 0.000 0.282 403 P C -0.996 176.389 177.300 0.141 0.000 1.274 403 P CA 0.108 63.275 63.100 0.112 0.000 0.770 403 P CB 0.903 32.646 31.700 0.071 0.000 0.867 404 L N 3.895 125.247 121.223 0.214 0.000 2.342 404 L HA 0.692 5.039 4.340 0.011 0.000 0.271 404 L C 0.312 177.360 176.870 0.297 0.000 1.008 404 L CA -1.219 53.814 54.840 0.321 0.000 0.818 404 L CB 2.263 44.590 42.059 0.447 0.000 1.296 404 L HN 0.198 nan 8.230 nan 0.000 0.427 405 V N -1.024 119.080 119.914 0.317 0.000 2.962 405 V HA 0.778 4.905 4.120 0.011 0.000 0.313 405 V C -1.411 174.921 176.094 0.398 0.000 1.099 405 V CA -0.643 61.719 62.300 0.103 0.000 0.971 405 V CB 1.678 33.507 31.823 0.010 0.000 1.028 405 V HN 0.948 nan 8.190 nan 0.000 0.430 406 W N 0.662 122.033 121.300 0.119 0.000 3.074 406 W HA 0.754 5.421 4.660 0.013 0.000 0.332 406 W C -1.442 175.113 176.519 0.060 0.000 1.253 406 W CA -0.750 56.663 57.345 0.114 0.000 1.180 406 W CB 0.988 30.538 29.460 0.151 0.000 1.445 406 W HN 0.641 nan 8.180 nan 0.000 0.573 407 D N 1.865 122.421 120.400 0.259 0.000 2.316 407 D HA 0.321 4.968 4.640 0.011 0.000 0.245 407 D C -1.488 174.953 176.300 0.235 0.000 1.171 407 D CA -2.483 51.600 54.000 0.139 0.000 0.856 407 D CB 1.852 42.715 40.800 0.105 0.000 1.090 407 D HN 0.058 nan 8.370 nan 0.000 0.476 408 P HA -0.034 nan 4.420 nan 0.000 0.225 408 P C 0.845 178.222 177.300 0.127 0.000 1.148 408 P CA 0.768 63.995 63.100 0.211 0.000 0.779 408 P CB 0.214 31.977 31.700 0.106 0.000 0.780 409 A N -0.168 122.705 122.820 0.087 0.000 2.015 409 A HA -0.134 4.193 4.320 0.011 0.000 0.219 409 A C 2.080 179.698 177.584 0.057 0.000 1.163 409 A CA 2.053 54.124 52.037 0.057 0.000 0.646 409 A CB -1.758 17.266 19.000 0.040 0.000 0.806 409 A HN 0.340 nan 8.150 nan 0.000 0.448 410 T N -2.061 112.542 114.554 0.081 0.000 3.148 410 T HA 0.124 4.480 4.350 0.011 0.000 0.253 410 T C 0.833 175.558 174.700 0.042 0.000 1.134 410 T CA 0.870 63.009 62.100 0.065 0.000 1.051 410 T CB -0.962 67.956 68.868 0.083 0.000 0.959 410 T HN 0.553 nan 8.240 nan 0.000 0.525 411 T N -0.150 114.431 114.554 0.044 0.000 2.936 411 T HA 0.644 5.000 4.350 0.011 0.000 0.282 411 T C -0.785 173.900 174.700 -0.026 0.000 1.003 411 T CA -1.076 61.012 62.100 -0.020 0.000 1.005 411 T CB 1.889 70.742 68.868 -0.025 0.000 1.097 411 T HN 0.587 nan 8.240 nan 0.000 0.532 412 K N -0.094 120.268 120.400 -0.062 0.000 2.501 412 K HA 0.717 5.043 4.320 0.011 0.000 0.252 412 K C -0.996 175.566 176.600 -0.062 0.000 0.934 412 K CA -1.145 55.114 56.287 -0.046 0.000 0.797 412 K CB 1.951 34.431 32.500 -0.034 0.000 1.270 412 K HN 0.750 nan 8.250 nan 0.000 0.431 413 A N 3.459 126.254 122.820 -0.042 0.000 2.404 413 A HA 0.356 4.683 4.320 0.011 0.000 0.273 413 A C 0.347 177.910 177.584 -0.034 0.000 1.144 413 A CA -0.610 51.402 52.037 -0.042 0.000 0.806 413 A CB 0.237 19.222 19.000 -0.024 0.000 1.080 413 A HN 0.545 nan 8.150 nan 0.000 0.509 414 V N 0.000 119.891 119.914 -0.039 0.000 2.409 414 V HA 0.000 4.127 4.120 0.011 0.000 0.244 414 V CA 0.000 62.284 62.300 -0.027 0.000 1.235 414 V CB 0.000 31.807 31.823 -0.027 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556