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 2gr6_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPWIP REAGEAFDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGALLLGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENAAPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.490 175.510 -0.034 0.000 1.280 10 N CA 0.000 53.033 53.050 -0.029 0.000 0.885 10 N CB 0.000 38.467 38.487 -0.033 0.000 1.341 11 L N 2.340 123.545 121.223 -0.030 0.000 2.296 11 L HA 0.758 5.094 4.340 -0.005 0.000 0.286 11 L C 0.241 177.109 176.870 -0.002 0.000 1.023 11 L CA -1.130 53.693 54.840 -0.028 0.000 0.812 11 L CB 0.862 42.902 42.059 -0.033 0.000 1.223 11 L HN 0.526 nan 8.230 nan 0.000 0.421 12 A N 6.650 129.479 122.820 0.015 0.000 2.401 12 A HA 0.600 4.917 4.320 -0.005 0.000 0.259 12 A C -2.123 175.495 177.584 0.057 0.000 1.103 12 A CA -1.028 51.035 52.037 0.043 0.000 0.789 12 A CB -0.518 18.525 19.000 0.071 0.000 1.035 12 A HN 0.572 nan 8.150 nan 0.000 0.491 13 P HA -0.005 nan 4.420 nan 0.000 0.262 13 P C -0.333 176.970 177.300 0.006 0.000 1.182 13 P CA -0.101 63.008 63.100 0.015 0.000 0.761 13 P CB 0.349 32.053 31.700 0.006 0.000 0.795 14 L N 7.046 128.245 121.223 -0.040 0.000 2.562 14 L HA 0.173 4.509 4.340 -0.005 0.000 0.271 14 L C -2.028 174.696 176.870 -0.243 0.000 1.167 14 L CA -1.324 53.421 54.840 -0.159 0.000 0.917 14 L CB -0.918 41.034 42.059 -0.178 0.000 1.187 14 L HN 0.292 nan 8.230 nan 0.000 0.482 15 P HA 0.067 nan 4.420 nan 0.000 0.266 15 P C -2.113 175.003 177.300 -0.308 0.000 1.193 15 P CA -0.769 62.140 63.100 -0.317 0.000 0.770 15 P CB 0.102 31.511 31.700 -0.484 0.000 0.836 16 P HA -0.200 nan 4.420 nan 0.000 0.218 16 P C 1.185 178.447 177.300 -0.064 0.000 1.148 16 P CA 1.438 64.498 63.100 -0.067 0.000 0.822 16 P CB -0.387 31.317 31.700 0.006 0.000 0.784 17 H N -2.094 116.905 119.070 -0.119 0.000 2.548 17 H HA 0.104 4.657 4.556 -0.006 0.000 0.268 17 H C 0.123 175.401 175.328 -0.083 0.000 0.975 17 H CA 0.264 56.270 56.048 -0.070 0.000 1.195 17 H CB -0.742 29.008 29.762 -0.020 0.000 1.397 17 H HN -0.083 nan 8.280 nan 0.000 0.572 18 V N 4.169 123.647 119.914 -0.726 0.000 2.461 18 V HA 0.175 4.292 4.120 -0.005 0.000 0.275 18 V C -2.050 173.848 176.094 -0.327 0.000 1.047 18 V CA -1.551 60.359 62.300 -0.651 0.000 0.955 18 V CB 1.228 32.240 31.823 -1.352 0.000 0.988 18 V HN 0.200 nan 8.190 nan 0.000 0.471 19 P HA 0.150 nan 4.420 nan 0.000 0.267 19 P C 0.386 177.595 177.300 -0.151 0.000 1.205 19 P CA -0.103 62.931 63.100 -0.109 0.000 0.765 19 P CB 0.739 32.337 31.700 -0.169 0.000 0.828 20 E N 1.583 121.764 120.200 -0.032 0.000 2.130 20 E HA -0.237 4.110 4.350 -0.005 0.000 0.196 20 E C 1.612 178.232 176.600 0.033 0.000 0.998 20 E CA 1.470 57.867 56.400 -0.006 0.000 0.806 20 E CB -0.660 29.062 29.700 0.037 0.000 0.738 20 E HN 0.622 nan 8.360 nan 0.000 0.459 21 H N -0.582 118.506 119.070 0.030 0.000 2.556 21 H HA 0.082 4.637 4.556 -0.003 0.000 0.268 21 H C 1.143 176.522 175.328 0.085 0.000 0.996 21 H CA 0.546 56.624 56.048 0.050 0.000 1.157 21 H CB -0.135 29.652 29.762 0.041 0.000 1.355 21 H HN 0.196 nan 8.280 nan 0.000 0.597 22 L N 1.250 122.312 121.223 -0.267 0.000 2.728 22 L HA 0.221 4.557 4.340 -0.005 0.000 0.238 22 L C 0.077 177.003 176.870 0.093 0.000 1.143 22 L CA -0.283 54.512 54.840 -0.075 0.000 0.937 22 L CB 0.907 42.935 42.059 -0.052 0.000 1.225 22 L HN -0.032 nan 8.230 nan 0.000 0.507 23 V N 0.893 120.855 119.914 0.079 0.000 2.508 23 V HA 0.067 4.184 4.120 -0.005 0.000 0.281 23 V C -0.596 175.608 176.094 0.183 0.000 1.041 23 V CA 0.230 62.610 62.300 0.132 0.000 1.016 23 V CB 0.968 32.836 31.823 0.075 0.000 0.984 23 V HN 0.110 nan 8.190 nan 0.000 0.478 24 F N 3.932 123.885 119.950 0.005 0.000 2.828 24 F HA 0.410 4.933 4.527 -0.006 0.000 0.355 24 F C 0.248 176.023 175.800 -0.043 0.000 1.200 24 F CA -0.817 57.177 58.000 -0.010 0.000 1.062 24 F CB 1.303 40.297 39.000 -0.009 0.000 1.351 24 F HN 0.510 nan 8.300 nan 0.000 0.504 25 D N 6.162 126.389 120.400 -0.288 0.000 2.848 25 D HA -0.041 4.596 4.640 -0.005 0.000 0.232 25 D C -0.099 176.058 176.300 -0.239 0.000 1.107 25 D CA 0.476 54.331 54.000 -0.242 0.000 1.020 25 D CB -0.495 40.169 40.800 -0.227 0.000 1.148 25 D HN 0.253 nan 8.370 nan 0.000 0.453 26 F N 1.715 121.534 119.950 -0.220 0.000 2.495 26 F HA 0.096 4.620 4.527 -0.006 0.000 0.365 26 F C 0.552 176.213 175.800 -0.233 0.000 1.090 26 F CA -0.545 57.354 58.000 -0.167 0.000 1.235 26 F CB 0.783 39.789 39.000 0.010 0.000 1.119 26 F HN -0.133 nan 8.300 nan 0.000 0.562 27 D N 7.257 127.109 120.400 -0.913 0.000 2.427 27 D HA 0.104 4.740 4.640 -0.005 0.000 0.226 27 D C 0.886 176.612 176.300 -0.957 0.000 1.076 27 D CA -0.447 53.167 54.000 -0.644 0.000 0.849 27 D CB 0.967 41.523 40.800 -0.406 0.000 1.052 27 D HN 0.755 nan 8.370 nan 0.000 0.515 28 M N 2.014 121.221 119.600 -0.654 0.000 2.446 28 M HA -0.077 4.400 4.480 -0.005 0.000 0.263 28 M C 0.143 176.161 176.300 -0.470 0.000 1.066 28 M CA 1.230 56.170 55.300 -0.601 0.000 1.087 28 M CB -0.188 32.240 32.600 -0.286 0.000 1.406 28 M HN 0.214 nan 8.290 nan 0.000 0.459 29 Y N 0.574 120.789 120.300 -0.141 0.000 2.458 29 Y HA 0.339 4.886 4.550 -0.005 0.000 0.256 29 Y C 0.258 176.114 175.900 -0.073 0.000 1.159 29 Y CA -0.332 57.740 58.100 -0.046 0.000 1.261 29 Y CB 0.488 38.930 38.460 -0.030 0.000 1.119 29 Y HN 0.450 nan 8.280 nan 0.000 0.524 30 N N 1.011 119.661 118.700 -0.084 0.000 3.304 30 N HA 0.075 4.812 4.740 -0.005 0.000 0.187 30 N C -3.440 171.927 175.510 -0.237 0.000 1.482 30 N CA -0.786 52.209 53.050 -0.092 0.000 0.785 30 N CB 1.066 39.525 38.487 -0.047 0.000 1.619 30 N HN -0.180 nan 8.380 nan 0.000 0.624 31 P HA 0.216 nan 4.420 nan 0.000 0.288 31 P C 0.565 177.757 177.300 -0.180 0.000 1.267 31 P CA -0.187 62.644 63.100 -0.448 0.000 0.815 31 P CB 1.888 33.326 31.700 -0.436 0.000 0.989 32 S N 2.030 117.637 115.700 -0.156 0.000 2.372 32 S HA -0.215 4.252 4.470 -0.005 0.000 0.227 32 S C 1.451 176.045 174.600 -0.011 0.000 1.044 32 S CA 1.879 60.037 58.200 -0.070 0.000 1.050 32 S CB -0.746 62.421 63.200 -0.056 0.000 0.901 32 S HN 0.607 nan 8.310 nan 0.000 0.447 33 N N 0.889 119.608 118.700 0.032 0.000 2.322 33 N HA 0.161 4.898 4.740 -0.005 0.000 0.216 33 N C 0.961 176.515 175.510 0.073 0.000 1.144 33 N CA -0.121 52.963 53.050 0.057 0.000 0.830 33 N CB -0.234 38.303 38.487 0.084 0.000 1.034 33 N HN 0.143 nan 8.380 nan 0.000 0.484 34 L N 0.220 121.480 121.223 0.062 0.000 2.129 34 L HA -0.189 4.148 4.340 -0.005 0.000 0.212 34 L C 2.051 178.961 176.870 0.066 0.000 1.087 34 L CA 1.744 56.642 54.840 0.095 0.000 0.757 34 L CB -0.905 41.203 42.059 0.081 0.000 0.896 34 L HN 0.334 nan 8.230 nan 0.000 0.434 35 S N -1.252 114.468 115.700 0.034 0.000 2.423 35 S HA -0.041 4.425 4.470 -0.005 0.000 0.231 35 S C 1.958 176.554 174.600 -0.006 0.000 1.014 35 S CA 0.631 58.834 58.200 0.005 0.000 0.965 35 S CB -0.766 62.439 63.200 0.007 0.000 0.785 35 S HN 0.476 nan 8.310 nan 0.000 0.495 36 A N 1.233 124.070 122.820 0.027 0.000 2.206 36 A HA 0.564 4.880 4.320 -0.005 0.000 0.211 36 A C 1.204 178.818 177.584 0.050 0.000 1.158 36 A CA 0.433 52.492 52.037 0.037 0.000 0.761 36 A CB -0.812 18.223 19.000 0.058 0.000 0.801 36 A HN 1.526 nan 8.150 nan 0.000 0.473 37 G N -2.176 106.652 108.800 0.047 0.000 2.592 37 G HA2 0.135 4.092 3.960 -0.005 0.000 0.685 37 G HA3 0.135 4.092 3.960 -0.005 0.000 0.685 37 G C 0.351 175.447 174.900 0.327 0.000 1.278 37 G CA -0.283 44.896 45.100 0.132 0.000 0.822 37 G HN 0.896 nan 8.290 nan 0.000 0.652 38 V N 0.223 120.488 119.914 0.585 0.000 2.255 38 V HA -0.237 3.879 4.120 -0.005 0.000 0.247 38 V C 2.793 179.120 176.094 0.388 0.000 1.051 38 V CA 2.793 65.375 62.300 0.470 0.000 1.018 38 V CB -1.174 30.884 31.823 0.390 0.000 0.641 38 V HN 0.754 nan 8.190 nan 0.000 0.445 39 Q N 0.444 120.350 119.800 0.177 0.000 2.135 39 Q HA -0.200 4.136 4.340 -0.005 0.000 0.204 39 Q C 2.187 178.274 176.000 0.144 0.000 0.981 39 Q CA 2.058 57.900 55.803 0.066 0.000 0.856 39 Q CB -0.500 28.175 28.738 -0.104 0.000 0.902 39 Q HN 0.750 nan 8.270 nan 0.000 0.425 40 E N 0.159 120.451 120.200 0.153 0.000 2.072 40 E HA -0.117 4.230 4.350 -0.005 0.000 0.191 40 E C 1.853 178.555 176.600 0.170 0.000 0.985 40 E CA 1.207 57.683 56.400 0.126 0.000 0.801 40 E CB -0.389 29.376 29.700 0.110 0.000 0.750 40 E HN 0.407 nan 8.360 nan 0.000 0.452 41 A N -0.051 122.913 122.820 0.239 0.000 1.902 41 A HA -0.169 4.147 4.320 -0.005 0.000 0.217 41 A C 1.765 179.530 177.584 0.302 0.000 1.181 41 A CA 1.332 53.518 52.037 0.249 0.000 0.623 41 A CB -0.958 18.191 19.000 0.248 0.000 0.818 41 A HN 0.363 nan 8.150 nan 0.000 0.443 42 W N -0.447 120.953 121.300 0.165 0.000 2.436 42 W HA 0.165 4.822 4.660 -0.005 0.000 0.284 42 W C 2.604 179.051 176.519 -0.120 0.000 1.225 42 W CA 0.922 58.285 57.345 0.030 0.000 1.271 42 W CB -0.276 29.174 29.460 -0.015 0.000 1.114 42 W HN 0.356 nan 8.180 nan 0.000 0.559 43 A N 0.440 123.351 122.820 0.152 0.000 2.125 43 A HA -0.112 4.205 4.320 -0.005 0.000 0.219 43 A C 1.974 179.551 177.584 -0.012 0.000 1.156 43 A CA 1.686 53.742 52.037 0.031 0.000 0.671 43 A CB -1.209 17.806 19.000 0.024 0.000 0.794 43 A HN 0.275 nan 8.150 nan 0.000 0.459 44 V N -2.453 117.478 119.914 0.027 0.000 3.026 44 V HA -0.118 3.999 4.120 -0.005 0.000 0.265 44 V C 1.847 177.881 176.094 -0.101 0.000 1.121 44 V CA 1.768 64.090 62.300 0.036 0.000 1.142 44 V CB -0.833 31.088 31.823 0.163 0.000 0.730 44 V HN 0.466 nan 8.190 nan 0.000 0.503 45 L N -0.413 120.664 121.223 -0.243 0.000 2.478 45 L HA 0.068 4.404 4.340 -0.005 0.000 0.223 45 L C 2.279 178.946 176.870 -0.338 0.000 1.140 45 L CA 1.029 55.580 54.840 -0.482 0.000 0.842 45 L CB -0.204 41.532 42.059 -0.537 0.000 0.953 45 L HN 0.416 nan 8.230 nan 0.000 0.452 46 Q N -0.511 119.170 119.800 -0.198 0.000 2.175 46 Q HA 0.148 4.484 4.340 -0.005 0.000 0.225 46 Q C -0.213 175.725 176.000 -0.104 0.000 0.837 46 Q CA -0.166 55.550 55.803 -0.144 0.000 1.032 46 Q CB 0.732 29.406 28.738 -0.107 0.000 1.137 46 Q HN 0.383 nan 8.270 nan 0.000 0.483 47 E N -0.169 119.969 120.200 -0.105 0.000 2.374 47 E HA 0.113 4.460 4.350 -0.005 0.000 0.260 47 E C 0.626 177.193 176.600 -0.054 0.000 1.101 47 E CA -0.183 56.184 56.400 -0.055 0.000 0.907 47 E CB 0.947 30.636 29.700 -0.020 0.000 1.014 47 E HN 0.047 nan 8.360 nan 0.000 0.427 48 S N 1.553 117.236 115.700 -0.029 0.000 2.406 48 S HA -0.290 4.177 4.470 -0.005 0.000 0.242 48 S C 0.911 175.498 174.600 -0.022 0.000 1.079 48 S CA 2.110 60.297 58.200 -0.023 0.000 1.133 48 S CB -0.344 62.850 63.200 -0.009 0.000 1.005 48 S HN 0.500 nan 8.310 nan 0.000 0.443 49 N N 0.277 118.971 118.700 -0.010 0.000 2.295 49 N HA 0.218 4.955 4.740 -0.005 0.000 0.221 49 N C -1.112 174.391 175.510 -0.012 0.000 1.129 49 N CA -0.152 52.898 53.050 0.001 0.000 0.836 49 N CB 0.722 39.225 38.487 0.027 0.000 1.040 49 N HN 0.097 nan 8.380 nan 0.000 0.494 50 V N 1.798 121.669 119.914 -0.072 0.000 2.439 50 V HA 0.342 4.459 4.120 -0.005 0.000 0.282 50 V C -1.808 174.216 176.094 -0.116 0.000 1.039 50 V CA -1.722 60.488 62.300 -0.150 0.000 0.913 50 V CB 1.176 32.799 31.823 -0.332 0.000 0.983 50 V HN 0.051 nan 8.190 nan 0.000 0.460 51 P HA 0.240 nan 4.420 nan 0.000 0.274 51 P C 0.249 177.497 177.300 -0.086 0.000 1.256 51 P CA -0.413 62.659 63.100 -0.047 0.000 0.795 51 P CB 0.679 32.386 31.700 0.012 0.000 1.038 52 D N -0.838 119.513 120.400 -0.082 0.000 2.178 52 D HA -0.023 4.614 4.640 -0.005 0.000 0.202 52 D C 0.258 176.496 176.300 -0.103 0.000 0.974 52 D CA 1.416 55.342 54.000 -0.124 0.000 0.841 52 D CB -0.133 40.564 40.800 -0.173 0.000 0.953 52 D HN 0.037 nan 8.370 nan 0.000 0.478 53 L N 0.446 121.646 121.223 -0.039 0.000 2.439 53 L HA 0.353 4.689 4.340 -0.005 0.000 0.270 53 L C -0.778 176.197 176.870 0.176 0.000 0.972 53 L CA -0.940 53.932 54.840 0.054 0.000 0.836 53 L CB 1.825 43.897 42.059 0.023 0.000 1.255 53 L HN -0.147 nan 8.230 nan 0.000 0.404 54 V N 1.414 121.466 119.914 0.228 0.000 3.158 54 V HA 0.702 4.818 4.120 -0.005 0.000 0.315 54 V C -1.373 174.958 176.094 0.394 0.000 1.148 54 V CA -0.758 61.706 62.300 0.273 0.000 1.042 54 V CB 2.154 34.049 31.823 0.119 0.000 1.101 54 V HN 0.918 nan 8.190 nan 0.000 0.448 55 W N 1.688 122.994 121.300 0.011 0.000 2.538 55 W HA 0.645 5.302 4.660 -0.004 0.000 0.322 55 W C -1.083 175.305 176.519 -0.218 0.000 1.028 55 W CA -0.251 56.921 57.345 -0.288 0.000 1.228 55 W CB 1.876 30.924 29.460 -0.686 0.000 1.356 55 W HN 0.873 nan 8.180 nan 0.000 0.452 56 T N 5.243 119.324 114.554 -0.789 0.000 2.824 56 T HA 0.384 4.731 4.350 -0.005 0.000 0.280 56 T C 0.899 175.144 174.700 -0.758 0.000 0.995 56 T CA -0.401 61.360 62.100 -0.564 0.000 1.009 56 T CB 1.110 69.695 68.868 -0.472 0.000 0.955 56 T HN 0.623 nan 8.240 nan 0.000 0.452 57 R N 2.141 122.462 120.500 -0.299 0.000 2.310 57 R HA 0.202 4.539 4.340 -0.005 0.000 0.202 57 R C 0.477 176.681 176.300 -0.160 0.000 0.933 57 R CA -0.211 55.809 56.100 -0.134 0.000 1.054 57 R CB -0.305 30.008 30.300 0.022 0.000 0.985 57 R HN 0.539 nan 8.270 nan 0.000 0.489 58 C N 1.211 120.374 119.300 -0.228 0.000 2.595 58 C HA 0.121 4.577 4.460 -0.005 0.000 0.384 58 C C 0.803 175.741 174.990 -0.087 0.000 1.289 58 C CA -0.463 58.468 59.018 -0.145 0.000 2.372 58 C CB 0.049 27.692 27.740 -0.161 0.000 2.593 58 C HN 0.700 nan 8.230 nan 0.000 0.639 59 N N 0.733 119.430 118.700 -0.004 0.000 2.725 59 N HA -0.159 4.578 4.740 -0.005 0.000 0.251 59 N C 0.779 176.325 175.510 0.060 0.000 1.031 59 N CA 0.680 53.768 53.050 0.064 0.000 0.720 59 N CB -1.144 37.439 38.487 0.159 0.000 0.930 59 N HN 1.359 nan 8.380 nan 0.000 0.543 60 G N -1.564 107.252 108.800 0.027 0.000 2.253 60 G HA2 0.024 3.981 3.960 -0.005 0.000 0.251 60 G HA3 0.024 3.981 3.960 -0.005 0.000 0.251 60 G C 0.565 175.486 174.900 0.036 0.000 0.998 60 G CA 0.385 45.513 45.100 0.046 0.000 0.621 60 G HN 1.655 nan 8.290 nan 0.000 0.524 61 G N -0.807 107.931 108.800 -0.104 0.000 3.209 61 G HA2 0.573 4.529 3.960 -0.005 0.000 0.686 61 G HA3 0.573 4.529 3.960 -0.005 0.000 0.686 61 G C -0.529 173.857 174.900 -0.857 0.000 1.065 61 G CA 0.641 45.482 45.100 -0.433 0.000 0.812 61 G HN 2.858 nan 8.290 nan 0.000 0.573 62 H N -1.680 116.322 119.070 -1.781 0.000 2.950 62 H HA 0.670 5.223 4.556 -0.005 0.000 0.307 62 H C -0.647 173.975 175.328 -1.177 0.000 1.403 62 H CA -1.603 53.616 56.048 -1.381 0.000 1.145 62 H CB 0.113 29.592 29.762 -0.471 0.000 1.844 62 H HN 0.684 nan 8.280 nan 0.000 0.515 63 W N 0.606 121.838 121.300 -0.113 0.000 2.183 63 W HA 0.644 5.299 4.660 -0.007 0.000 0.348 63 W C -0.284 176.307 176.519 0.120 0.000 1.257 63 W CA -0.576 56.838 57.345 0.115 0.000 1.324 63 W CB 0.884 30.511 29.460 0.280 0.000 1.144 63 W HN 0.437 nan 8.180 nan 0.000 0.622 64 I N 2.343 123.123 120.570 0.350 0.000 2.571 64 I HA 0.302 4.468 4.170 -0.005 0.000 0.286 64 I C -0.442 175.731 176.117 0.093 0.000 1.134 64 I CA -1.097 60.310 61.300 0.178 0.000 1.052 64 I CB 1.354 39.399 38.000 0.076 0.000 1.237 64 I HN 0.447 nan 8.210 nan 0.000 0.435 65 A N 3.392 126.229 122.820 0.027 0.000 2.354 65 A HA 0.481 4.798 4.320 -0.005 0.000 0.281 65 A C 1.038 178.579 177.584 -0.072 0.000 1.174 65 A CA -0.013 52.002 52.037 -0.037 0.000 0.828 65 A CB 0.197 19.145 19.000 -0.086 0.000 1.099 65 A HN 0.858 nan 8.150 nan 0.000 0.516 66 T N 0.003 114.493 114.554 -0.107 0.000 3.044 66 T HA 0.203 4.550 4.350 -0.005 0.000 0.250 66 T C 0.736 175.360 174.700 -0.127 0.000 1.081 66 T CA 0.033 62.049 62.100 -0.140 0.000 1.040 66 T CB 0.087 68.836 68.868 -0.199 0.000 0.962 66 T HN 0.512 nan 8.240 nan 0.000 0.506 67 R N 0.297 120.721 120.500 -0.128 0.000 2.832 67 R HA 0.633 4.969 4.340 -0.005 0.000 0.271 67 R C 1.652 177.885 176.300 -0.113 0.000 0.996 67 R CA -0.310 55.718 56.100 -0.121 0.000 0.977 67 R CB 0.784 31.003 30.300 -0.133 0.000 1.168 67 R HN 0.216 nan 8.270 nan 0.000 0.482 68 G N 1.061 109.802 108.800 -0.098 0.000 2.491 68 G HA2 -0.308 3.649 3.960 -0.005 0.000 0.218 68 G HA3 -0.308 3.649 3.960 -0.005 0.000 0.218 68 G C 0.915 175.755 174.900 -0.101 0.000 1.180 68 G CA 0.677 45.721 45.100 -0.093 0.000 0.774 68 G HN 0.623 nan 8.290 nan 0.000 0.562 69 Q N -0.286 119.457 119.800 -0.096 0.000 2.291 69 Q HA 0.070 4.407 4.340 -0.005 0.000 0.205 69 Q C 2.432 178.389 176.000 -0.072 0.000 0.970 69 Q CA 0.600 56.359 55.803 -0.073 0.000 0.876 69 Q CB -0.237 28.476 28.738 -0.042 0.000 0.935 69 Q HN 0.405 nan 8.270 nan 0.000 0.455 70 L N 0.756 121.887 121.223 -0.153 0.000 2.095 70 L HA -0.070 4.267 4.340 -0.005 0.000 0.204 70 L C 2.222 179.069 176.870 -0.039 0.000 1.080 70 L CA 1.260 56.015 54.840 -0.141 0.000 0.759 70 L CB -0.261 41.632 42.059 -0.278 0.000 0.914 70 L HN 0.167 nan 8.230 nan 0.000 0.439 71 I N -0.871 119.640 120.570 -0.098 0.000 2.179 71 I HA -0.320 3.847 4.170 -0.005 0.000 0.242 71 I C 2.565 178.656 176.117 -0.043 0.000 1.088 71 I CA 1.270 62.500 61.300 -0.116 0.000 1.357 71 I CB -0.290 37.683 38.000 -0.045 0.000 1.051 71 I HN 0.215 nan 8.210 nan 0.000 0.409 72 R N 0.405 120.868 120.500 -0.062 0.000 2.075 72 R HA -0.187 4.149 4.340 -0.005 0.000 0.232 72 R C 2.240 178.599 176.300 0.099 0.000 1.126 72 R CA 1.457 57.463 56.100 -0.157 0.000 0.963 72 R CB -0.393 29.660 30.300 -0.412 0.000 0.858 72 R HN 0.419 nan 8.270 nan 0.000 0.435 73 E N 0.954 121.222 120.200 0.113 0.000 2.077 73 E HA -0.183 4.164 4.350 -0.005 0.000 0.193 73 E C 1.973 178.681 176.600 0.181 0.000 0.989 73 E CA 1.163 57.704 56.400 0.234 0.000 0.800 73 E CB -0.029 29.888 29.700 0.361 0.000 0.746 73 E HN 0.366 nan 8.360 nan 0.000 0.452 74 A N 0.042 122.813 122.820 -0.082 0.000 1.933 74 A HA -0.172 4.144 4.320 -0.005 0.000 0.218 74 A C 1.826 179.276 177.584 -0.223 0.000 1.175 74 A CA 1.232 52.909 52.037 -0.600 0.000 0.628 74 A CB -0.775 17.428 19.000 -1.327 0.000 0.814 74 A HN 0.406 nan 8.150 nan 0.000 0.444 75 Y N 0.190 120.509 120.300 0.032 0.000 2.352 75 Y HA -0.070 4.477 4.550 -0.005 0.000 0.292 75 Y C 2.324 178.379 175.900 0.257 0.000 1.136 75 Y CA 1.333 59.534 58.100 0.168 0.000 1.227 75 Y CB -0.227 38.367 38.460 0.222 0.000 0.991 75 Y HN 0.474 nan 8.280 nan 0.000 0.545 76 E N -0.845 119.597 120.200 0.404 0.000 2.230 76 E HA -0.118 4.229 4.350 -0.005 0.000 0.192 76 E C 0.336 177.079 176.600 0.238 0.000 0.987 76 E CA 0.674 57.266 56.400 0.320 0.000 0.841 76 E CB 0.105 29.977 29.700 0.286 0.000 0.783 76 E HN 0.126 nan 8.360 nan 0.000 0.481 77 D N 0.182 120.721 120.400 0.231 0.000 2.564 77 D HA -0.021 4.616 4.640 -0.005 0.000 0.226 77 D C 0.430 176.812 176.300 0.136 0.000 1.149 77 D CA -0.429 53.639 54.000 0.114 0.000 0.994 77 D CB -0.114 40.835 40.800 0.248 0.000 1.029 77 D HN 0.168 nan 8.370 nan 0.000 0.517 78 Y N 1.106 121.497 120.300 0.152 0.000 2.497 78 Y HA 0.064 4.611 4.550 -0.005 0.000 0.292 78 Y C 1.766 177.666 175.900 -0.000 0.000 1.137 78 Y CA 0.453 58.629 58.100 0.126 0.000 1.285 78 Y CB -0.404 38.141 38.460 0.140 0.000 0.991 78 Y HN 0.079 nan 8.280 nan 0.000 0.556 79 R N -0.384 119.942 120.500 -0.290 0.000 2.148 79 R HA -0.065 4.271 4.340 -0.005 0.000 0.223 79 R C 1.262 177.263 176.300 -0.499 0.000 1.088 79 R CA 1.772 57.664 56.100 -0.347 0.000 0.985 79 R CB -0.367 29.606 30.300 -0.545 0.000 0.880 79 R HN 0.573 nan 8.270 nan 0.000 0.451 80 H N -1.926 116.882 119.070 -0.437 0.000 2.506 80 H HA 0.130 4.683 4.556 -0.005 0.000 0.289 80 H C -0.273 174.571 175.328 -0.808 0.000 1.009 80 H CA 0.226 55.801 56.048 -0.790 0.000 1.303 80 H CB 0.525 29.437 29.762 -1.417 0.000 1.453 80 H HN -0.050 nan 8.280 nan 0.000 0.526 81 F N 1.242 121.181 119.950 -0.018 0.000 2.307 81 F HA 0.291 4.815 4.527 -0.006 0.000 0.369 81 F C 0.282 176.113 175.800 0.052 0.000 1.076 81 F CA -0.760 57.231 58.000 -0.014 0.000 1.149 81 F CB 1.073 40.017 39.000 -0.094 0.000 1.410 81 F HN -0.090 nan 8.300 nan 0.000 0.481 82 S N 0.846 116.639 115.700 0.156 0.000 2.584 82 S HA 0.230 4.696 4.470 -0.005 0.000 0.273 82 S C 1.096 175.777 174.600 0.135 0.000 1.311 82 S CA -0.476 57.815 58.200 0.151 0.000 1.034 82 S CB 1.025 64.282 63.200 0.096 0.000 0.939 82 S HN 0.500 nan 8.310 nan 0.000 0.513 83 S N 2.958 118.731 115.700 0.122 0.000 2.593 83 S HA 0.083 4.550 4.470 -0.005 0.000 0.217 83 S C 1.574 176.207 174.600 0.055 0.000 0.966 83 S CA -0.313 57.913 58.200 0.044 0.000 0.914 83 S CB -0.140 63.008 63.200 -0.087 0.000 0.776 83 S HN 0.773 nan 8.310 nan 0.000 0.523 84 E N 0.569 120.817 120.200 0.079 0.000 2.070 84 E HA -0.194 4.152 4.350 -0.005 0.000 0.197 84 E C 0.479 177.117 176.600 0.062 0.000 1.004 84 E CA 0.874 57.320 56.400 0.077 0.000 0.805 84 E CB 0.040 29.781 29.700 0.068 0.000 0.744 84 E HN 0.400 nan 8.360 nan 0.000 0.451 85 C N 1.843 121.168 119.300 0.041 0.000 2.816 85 C HA 0.353 4.810 4.460 -0.005 0.000 0.255 85 C C -1.801 173.179 174.990 -0.016 0.000 1.141 85 C CA -1.484 57.542 59.018 0.014 0.000 1.554 85 C CB 0.488 28.251 27.740 0.038 0.000 1.778 85 C HN 0.209 nan 8.230 nan 0.000 0.429 86 P HA 0.068 nan 4.420 nan 0.000 0.251 86 P C 0.383 177.681 177.300 -0.004 0.000 1.223 86 P CA 0.428 63.476 63.100 -0.087 0.000 0.796 86 P CB 0.258 31.845 31.700 -0.189 0.000 1.068 87 W N 0.481 121.496 121.300 -0.475 0.000 2.578 87 W HA 0.536 5.193 4.660 -0.005 0.000 0.346 87 W C -0.420 175.951 176.519 -0.247 0.000 1.075 87 W CA -0.716 56.383 57.345 -0.410 0.000 1.233 87 W CB 1.753 30.863 29.460 -0.584 0.000 1.358 87 W HN -0.349 nan 8.180 nan 0.000 0.574 88 I N 4.642 125.149 120.570 -0.105 0.000 2.509 88 I HA 0.242 4.409 4.170 -0.005 0.000 0.293 88 I C -1.723 174.447 176.117 0.089 0.000 1.020 88 I CA -2.243 59.012 61.300 -0.076 0.000 1.088 88 I CB 2.445 40.282 38.000 -0.271 0.000 1.267 88 I HN 0.030 nan 8.210 nan 0.000 0.430 89 P HA 0.091 nan 4.420 nan 0.000 0.273 89 P C 0.375 177.702 177.300 0.044 0.000 1.250 89 P CA -0.300 62.841 63.100 0.069 0.000 0.793 89 P CB 0.996 32.737 31.700 0.069 0.000 1.011 90 R N 0.948 121.475 120.500 0.044 0.000 2.096 90 R HA -0.209 4.128 4.340 -0.005 0.000 0.240 90 R C 2.230 178.554 176.300 0.040 0.000 1.139 90 R CA 2.447 58.573 56.100 0.044 0.000 0.952 90 R CB -0.454 29.884 30.300 0.062 0.000 0.854 90 R HN 0.645 nan 8.270 nan 0.000 0.436 91 E N -0.563 119.665 120.200 0.048 0.000 2.265 91 E HA -0.146 4.201 4.350 -0.005 0.000 0.196 91 E C 1.626 178.256 176.600 0.049 0.000 0.996 91 E CA 1.102 57.533 56.400 0.051 0.000 0.832 91 E CB -0.106 29.629 29.700 0.058 0.000 0.756 91 E HN 0.433 nan 8.360 nan 0.000 0.491 92 A N 1.601 124.440 122.820 0.031 0.000 1.930 92 A HA 0.121 4.438 4.320 -0.005 0.000 0.215 92 A C 2.471 179.891 177.584 -0.273 0.000 1.176 92 A CA 1.016 53.008 52.037 -0.076 0.000 0.632 92 A CB -0.861 18.148 19.000 0.014 0.000 0.819 92 A HN 0.395 nan 8.150 nan 0.000 0.445 93 G N -0.548 108.198 108.800 -0.089 0.000 2.471 93 G HA2 -0.117 3.839 3.960 -0.005 0.000 0.219 93 G HA3 -0.117 3.839 3.960 -0.005 0.000 0.219 93 G C 1.346 176.227 174.900 -0.032 0.000 1.125 93 G CA 0.916 45.972 45.100 -0.074 0.000 0.775 93 G HN 0.637 nan 8.290 nan 0.000 0.548 94 E N 0.066 120.263 120.200 -0.005 0.000 2.170 94 E HA 0.163 4.510 4.350 -0.005 0.000 0.191 94 E C 2.765 179.383 176.600 0.030 0.000 0.981 94 E CA 0.520 56.934 56.400 0.024 0.000 0.830 94 E CB 0.037 29.759 29.700 0.036 0.000 0.775 94 E HN 0.386 nan 8.360 nan 0.000 0.470 95 A N 0.952 123.795 122.820 0.038 0.000 2.016 95 A HA -0.041 4.276 4.320 -0.005 0.000 0.217 95 A C 0.792 178.410 177.584 0.057 0.000 1.162 95 A CA -0.078 52.011 52.037 0.086 0.000 0.662 95 A CB -0.400 18.730 19.000 0.218 0.000 0.812 95 A HN 0.265 nan 8.150 nan 0.000 0.450 96 F N 2.566 122.368 119.950 -0.248 0.000 2.519 96 F HA 0.088 4.612 4.527 -0.005 0.000 0.381 96 F C 0.409 176.013 175.800 -0.327 0.000 1.076 96 F CA 0.351 58.077 58.000 -0.457 0.000 1.095 96 F CB 0.521 39.084 39.000 -0.729 0.000 1.046 96 F HN 0.373 nan 8.300 nan 0.000 0.559 97 D N 4.296 124.344 120.400 -0.587 0.000 2.620 97 D HA 0.050 4.686 4.640 -0.005 0.000 0.260 97 D C -0.158 175.999 176.300 -0.238 0.000 1.367 97 D CA -0.358 53.486 54.000 -0.260 0.000 0.805 97 D CB -0.847 39.897 40.800 -0.093 0.000 1.096 97 D HN 0.083 nan 8.370 nan 0.000 0.488 98 F N 1.183 120.858 119.950 -0.458 0.000 2.589 98 F HA 0.255 4.779 4.527 -0.005 0.000 0.352 98 F C 1.218 176.939 175.800 -0.131 0.000 1.168 98 F CA -0.524 57.293 58.000 -0.305 0.000 1.353 98 F CB 0.359 39.066 39.000 -0.488 0.000 1.116 98 F HN -0.109 nan 8.300 nan 0.000 0.608 99 I N 4.556 125.200 120.570 0.123 0.000 2.474 99 I HA 0.232 4.399 4.170 -0.005 0.000 0.294 99 I C -1.673 174.495 176.117 0.085 0.000 1.005 99 I CA -1.759 59.550 61.300 0.016 0.000 1.113 99 I CB 2.655 40.540 38.000 -0.191 0.000 1.289 99 I HN 0.365 nan 8.210 nan 0.000 0.436 100 P HA 0.066 nan 4.420 nan 0.000 0.261 100 P C 1.025 178.505 177.300 0.299 0.000 1.268 100 P CA 0.269 63.467 63.100 0.164 0.000 0.833 100 P CB 0.236 32.044 31.700 0.179 0.000 1.231 101 T N 0.734 115.479 114.554 0.318 0.000 2.721 101 T HA -0.147 4.200 4.350 -0.005 0.000 0.268 101 T C 1.678 176.560 174.700 0.303 0.000 1.038 101 T CA 2.318 64.639 62.100 0.369 0.000 1.145 101 T CB -0.714 68.448 68.868 0.490 0.000 0.858 101 T HN 0.343 nan 8.240 nan 0.000 0.459 102 S N -0.053 115.845 115.700 0.331 0.000 2.614 102 S HA 0.429 4.896 4.470 -0.005 0.000 0.230 102 S C 0.257 174.959 174.600 0.170 0.000 0.952 102 S CA -0.565 57.788 58.200 0.255 0.000 0.949 102 S CB -0.442 62.933 63.200 0.291 0.000 0.786 102 S HN 0.336 nan 8.310 nan 0.000 0.478 103 M N 1.743 121.477 119.600 0.223 0.000 2.528 103 M HA 0.521 4.998 4.480 -0.005 0.000 0.321 103 M C -1.172 175.279 176.300 0.252 0.000 1.153 103 M CA -0.647 54.761 55.300 0.179 0.000 0.951 103 M CB 1.742 34.412 32.600 0.116 0.000 1.705 103 M HN 0.053 nan 8.290 nan 0.000 0.451 104 D N 1.895 122.384 120.400 0.149 0.000 2.272 104 D HA 0.494 5.131 4.640 -0.005 0.000 0.247 104 D C -2.488 173.755 176.300 -0.095 0.000 0.990 104 D CA -1.289 52.763 54.000 0.087 0.000 0.931 104 D CB 1.266 42.133 40.800 0.112 0.000 1.195 104 D HN 0.128 nan 8.370 nan 0.000 0.477 105 P HA 0.075 nan 4.420 nan 0.000 0.270 105 P C -1.723 175.443 177.300 -0.222 0.000 1.223 105 P CA -0.723 62.123 63.100 -0.424 0.000 0.785 105 P CB 0.434 31.599 31.700 -0.892 0.000 0.923 106 P HA -0.010 nan 4.420 nan 0.000 0.234 106 P C 0.625 177.908 177.300 -0.028 0.000 1.175 106 P CA 0.985 64.041 63.100 -0.073 0.000 0.801 106 P CB 0.257 31.945 31.700 -0.020 0.000 0.891 107 E N 0.747 120.960 120.200 0.021 0.000 2.209 107 E HA -0.209 4.137 4.350 -0.005 0.000 0.196 107 E C 2.263 178.970 176.600 0.178 0.000 0.993 107 E CA 0.925 57.384 56.400 0.099 0.000 0.819 107 E CB -0.939 28.844 29.700 0.137 0.000 0.745 107 E HN 0.350 nan 8.360 nan 0.000 0.477 108 Q N 0.823 120.685 119.800 0.103 0.000 2.084 108 Q HA -0.226 4.111 4.340 -0.005 0.000 0.202 108 Q C 1.961 178.023 176.000 0.104 0.000 0.978 108 Q CA 1.385 57.263 55.803 0.126 0.000 0.844 108 Q CB 0.011 28.734 28.738 -0.025 0.000 0.898 108 Q HN 0.103 nan 8.270 nan 0.000 0.426 109 R N 0.860 121.356 120.500 -0.007 0.000 2.112 109 R HA -0.234 4.103 4.340 -0.005 0.000 0.242 109 R C 2.472 178.744 176.300 -0.047 0.000 1.137 109 R CA 2.505 58.581 56.100 -0.041 0.000 0.944 109 R CB -0.481 29.779 30.300 -0.066 0.000 0.857 109 R HN 0.580 nan 8.270 nan 0.000 0.435 110 Q N -1.212 118.522 119.800 -0.110 0.000 2.181 110 Q HA -0.200 4.137 4.340 -0.005 0.000 0.205 110 Q C 1.670 177.483 176.000 -0.312 0.000 0.980 110 Q CA 1.808 57.457 55.803 -0.256 0.000 0.862 110 Q CB -0.404 28.087 28.738 -0.411 0.000 0.905 110 Q HN 0.382 nan 8.270 nan 0.000 0.429 111 F N 0.771 120.712 119.950 -0.015 0.000 2.270 111 F HA 0.142 4.666 4.527 -0.006 0.000 0.295 111 F C 2.706 178.504 175.800 -0.004 0.000 1.087 111 F CA 0.642 58.641 58.000 -0.002 0.000 1.365 111 F CB -0.062 38.947 39.000 0.014 0.000 1.056 111 F HN -0.030 nan 8.300 nan 0.000 0.506 112 R N 0.896 121.486 120.500 0.150 0.000 2.096 112 R HA -0.131 4.206 4.340 -0.005 0.000 0.235 112 R C 2.292 178.613 176.300 0.034 0.000 1.127 112 R CA 1.234 57.377 56.100 0.072 0.000 0.968 112 R CB -0.400 29.904 30.300 0.006 0.000 0.861 112 R HN 0.253 nan 8.270 nan 0.000 0.440 113 A N 1.204 124.026 122.820 0.003 0.000 1.877 113 A HA -0.175 4.142 4.320 -0.005 0.000 0.216 113 A C 2.024 179.606 177.584 -0.003 0.000 1.186 113 A CA 1.297 53.326 52.037 -0.014 0.000 0.620 113 A CB -0.629 18.346 19.000 -0.041 0.000 0.822 113 A HN 0.390 nan 8.150 nan 0.000 0.443 114 L N -0.179 121.045 121.223 0.001 0.000 2.046 114 L HA -0.061 4.276 4.340 -0.005 0.000 0.208 114 L C 2.632 179.521 176.870 0.032 0.000 1.077 114 L CA 2.296 57.142 54.840 0.011 0.000 0.747 114 L CB -0.874 41.197 42.059 0.021 0.000 0.896 114 L HN 0.337 nan 8.230 nan 0.000 0.432 115 A N -0.478 122.376 122.820 0.057 0.000 1.902 115 A HA -0.260 4.057 4.320 -0.005 0.000 0.217 115 A C 2.192 179.798 177.584 0.038 0.000 1.181 115 A CA 1.759 53.830 52.037 0.057 0.000 0.623 115 A CB -1.000 18.046 19.000 0.076 0.000 0.818 115 A HN 0.604 nan 8.150 nan 0.000 0.443 116 N N -0.232 118.486 118.700 0.030 0.000 2.289 116 N HA -0.165 4.572 4.740 -0.005 0.000 0.184 116 N C 1.778 177.299 175.510 0.017 0.000 1.016 116 N CA 1.633 54.697 53.050 0.024 0.000 0.872 116 N CB -0.326 38.172 38.487 0.017 0.000 0.973 116 N HN 0.645 nan 8.380 nan 0.000 0.433 117 Q N -0.808 118.997 119.800 0.009 0.000 2.230 117 Q HA -0.042 4.294 4.340 -0.005 0.000 0.202 117 Q C 1.775 177.774 176.000 -0.002 0.000 0.963 117 Q CA 1.314 57.117 55.803 -0.000 0.000 0.866 117 Q CB 0.240 28.974 28.738 -0.007 0.000 0.931 117 Q HN 0.469 nan 8.270 nan 0.000 0.452 118 V N -3.033 116.883 119.914 0.003 0.000 3.354 118 V HA 0.056 4.173 4.120 -0.005 0.000 0.258 118 V C 1.483 177.575 176.094 -0.005 0.000 1.159 118 V CA 0.644 62.940 62.300 -0.007 0.000 1.125 118 V CB 0.423 32.239 31.823 -0.011 0.000 0.774 118 V HN 0.226 nan 8.190 nan 0.000 0.464 119 V N -2.225 117.699 119.914 0.016 0.000 3.330 119 V HA 0.704 4.821 4.120 -0.005 0.000 0.309 119 V C 1.076 177.192 176.094 0.037 0.000 1.481 119 V CA 0.180 62.497 62.300 0.028 0.000 1.068 119 V CB -0.599 31.257 31.823 0.056 0.000 0.935 119 V HN 0.419 nan 8.190 nan 0.000 0.453 120 G N -0.106 108.715 108.800 0.036 0.000 2.631 120 G HA2 0.282 4.239 3.960 -0.005 0.000 0.271 120 G HA3 0.282 4.239 3.960 -0.005 0.000 0.271 120 G C 0.547 175.471 174.900 0.041 0.000 1.302 120 G CA 0.277 45.413 45.100 0.060 0.000 1.002 120 G HN 0.203 nan 8.290 nan 0.000 0.519 121 M N 0.726 120.325 119.600 -0.002 0.000 2.073 121 M HA -0.037 4.440 4.480 -0.005 0.000 0.258 121 M C -0.132 176.134 176.300 -0.056 0.000 1.070 121 M CA 1.985 57.225 55.300 -0.099 0.000 1.103 121 M CB -1.150 31.286 32.600 -0.275 0.000 1.321 121 M HN 0.321 nan 8.290 nan 0.000 0.405 122 P HA -0.171 nan 4.420 nan 0.000 0.216 122 P C 1.766 179.053 177.300 -0.022 0.000 1.157 122 P CA 1.731 64.811 63.100 -0.034 0.000 0.880 122 P CB -0.249 31.433 31.700 -0.030 0.000 0.791 123 V N -0.570 119.335 119.914 -0.016 0.000 2.332 123 V HA -0.216 3.901 4.120 -0.005 0.000 0.248 123 V C 2.466 178.555 176.094 -0.008 0.000 1.055 123 V CA 1.839 64.131 62.300 -0.013 0.000 1.038 123 V CB -1.318 30.498 31.823 -0.012 0.000 0.651 123 V HN -0.025 nan 8.190 nan 0.000 0.450 124 V N 0.142 120.056 119.914 0.000 0.000 2.332 124 V HA -0.273 3.844 4.120 -0.005 0.000 0.248 124 V C 2.310 178.408 176.094 0.007 0.000 1.055 124 V CA 2.200 64.506 62.300 0.010 0.000 1.038 124 V CB -0.757 31.082 31.823 0.026 0.000 0.651 124 V HN 0.556 nan 8.190 nan 0.000 0.450 125 D N 0.047 120.444 120.400 -0.004 0.000 2.123 125 D HA -0.143 4.493 4.640 -0.005 0.000 0.196 125 D C 2.240 178.541 176.300 0.003 0.000 0.992 125 D CA 1.049 55.048 54.000 -0.002 0.000 0.833 125 D CB -0.182 40.611 40.800 -0.013 0.000 0.954 125 D HN 0.385 nan 8.370 nan 0.000 0.455 126 K N 0.703 121.102 120.400 -0.003 0.000 2.026 126 K HA -0.057 4.259 4.320 -0.005 0.000 0.208 126 K C 2.395 178.997 176.600 0.003 0.000 1.048 126 K CA 0.392 56.677 56.287 -0.003 0.000 0.929 126 K CB -0.772 31.722 32.500 -0.010 0.000 0.713 126 K HN 0.262 nan 8.250 nan 0.000 0.439 127 L N 1.401 122.625 121.223 0.002 0.000 2.456 127 L HA -0.090 4.246 4.340 -0.005 0.000 0.224 127 L C 2.451 179.337 176.870 0.027 0.000 1.148 127 L CA 0.542 55.386 54.840 0.007 0.000 0.825 127 L CB -0.298 41.759 42.059 -0.004 0.000 0.937 127 L HN 0.284 nan 8.230 nan 0.000 0.450 128 E N 0.833 121.053 120.200 0.034 0.000 2.033 128 E HA -0.271 4.075 4.350 -0.005 0.000 0.199 128 E C 1.745 178.384 176.600 0.066 0.000 1.011 128 E CA 1.796 58.229 56.400 0.055 0.000 0.815 128 E CB -0.089 29.640 29.700 0.048 0.000 0.755 128 E HN 0.631 nan 8.360 nan 0.000 0.451 129 N N -0.087 118.642 118.700 0.049 0.000 2.205 129 N HA -0.159 4.578 4.740 -0.005 0.000 0.186 129 N C 1.908 177.455 175.510 0.061 0.000 1.015 129 N CA 0.561 53.641 53.050 0.051 0.000 0.862 129 N CB -0.048 38.460 38.487 0.035 0.000 0.986 129 N HN 0.091 nan 8.380 nan 0.000 0.429 130 R N 0.645 121.178 120.500 0.055 0.000 2.148 130 R HA 0.045 4.382 4.340 -0.005 0.000 0.223 130 R C 2.057 178.418 176.300 0.101 0.000 1.088 130 R CA 0.604 56.740 56.100 0.060 0.000 0.985 130 R CB -0.117 30.203 30.300 0.034 0.000 0.880 130 R HN 0.315 nan 8.270 nan 0.000 0.451 131 I N 0.536 121.178 120.570 0.119 0.000 2.252 131 I HA -0.268 3.899 4.170 -0.005 0.000 0.245 131 I C 2.721 179.026 176.117 0.313 0.000 1.102 131 I CA 1.212 62.643 61.300 0.218 0.000 1.385 131 I CB -0.242 37.868 38.000 0.183 0.000 1.064 131 I HN 0.231 nan 8.210 nan 0.000 0.414 132 Q N 0.949 120.864 119.800 0.192 0.000 2.123 132 Q HA -0.208 4.129 4.340 -0.005 0.000 0.199 132 Q C 2.041 178.113 176.000 0.121 0.000 0.966 132 Q CA 1.376 57.268 55.803 0.149 0.000 0.845 132 Q CB 0.135 28.932 28.738 0.099 0.000 0.907 132 Q HN 0.481 nan 8.270 nan 0.000 0.439 133 E N 0.199 120.464 120.200 0.108 0.000 2.023 133 E HA -0.229 4.118 4.350 -0.005 0.000 0.196 133 E C 2.050 178.713 176.600 0.105 0.000 1.003 133 E CA 1.280 57.731 56.400 0.085 0.000 0.809 133 E CB -0.167 29.575 29.700 0.070 0.000 0.755 133 E HN 0.246 nan 8.360 nan 0.000 0.449 134 L N 1.003 122.317 121.223 0.152 0.000 2.042 134 L HA -0.183 4.154 4.340 -0.005 0.000 0.210 134 L C 2.148 179.129 176.870 0.185 0.000 1.076 134 L CA 2.105 57.056 54.840 0.185 0.000 0.749 134 L CB -0.677 41.531 42.059 0.248 0.000 0.893 134 L HN 0.065 nan 8.230 nan 0.000 0.432 135 A N -1.226 121.691 122.820 0.161 0.000 1.858 135 A HA -0.248 4.068 4.320 -0.005 0.000 0.216 135 A C 2.393 180.008 177.584 0.052 0.000 1.190 135 A CA 1.984 53.999 52.037 -0.035 0.000 0.617 135 A CB -1.481 17.427 19.000 -0.154 0.000 0.827 135 A HN 0.626 nan 8.150 nan 0.000 0.443 136 C N -1.261 118.062 119.300 0.037 0.000 2.453 136 C HA -0.047 4.410 4.460 -0.005 0.000 0.277 136 C C 3.286 178.284 174.990 0.013 0.000 1.262 136 C CA 1.241 60.263 59.018 0.006 0.000 1.718 136 C CB -1.202 26.543 27.740 0.008 0.000 2.031 136 C HN 0.699 nan 8.230 nan 0.000 0.480 137 S N 0.506 116.231 115.700 0.042 0.000 2.365 137 S HA -0.189 4.278 4.470 -0.005 0.000 0.225 137 S C 1.780 176.411 174.600 0.051 0.000 1.039 137 S CA 1.629 59.855 58.200 0.043 0.000 1.033 137 S CB -0.366 62.868 63.200 0.057 0.000 0.887 137 S HN 0.407 nan 8.310 nan 0.000 0.447 138 L N 1.386 122.664 121.223 0.092 0.000 2.017 138 L HA 0.117 4.453 4.340 -0.005 0.000 0.208 138 L C 2.225 179.155 176.870 0.099 0.000 1.073 138 L CA 1.609 56.530 54.840 0.135 0.000 0.745 138 L CB -0.845 41.351 42.059 0.230 0.000 0.894 138 L HN 0.435 nan 8.230 nan 0.000 0.432 139 I N -1.027 119.559 120.570 0.027 0.000 2.202 139 I HA -0.237 3.930 4.170 -0.005 0.000 0.242 139 I C 2.405 178.398 176.117 -0.208 0.000 1.091 139 I CA 1.066 62.249 61.300 -0.195 0.000 1.368 139 I CB -0.267 37.544 38.000 -0.316 0.000 1.058 139 I HN 0.255 nan 8.210 nan 0.000 0.410 140 E N 1.313 121.441 120.200 -0.120 0.000 2.118 140 E HA -0.189 4.158 4.350 -0.005 0.000 0.195 140 E C 2.094 178.667 176.600 -0.045 0.000 0.992 140 E CA 1.791 58.136 56.400 -0.092 0.000 0.804 140 E CB -0.156 29.512 29.700 -0.053 0.000 0.741 140 E HN 0.279 nan 8.360 nan 0.000 0.458 141 S N -0.341 115.352 115.700 -0.012 0.000 2.423 141 S HA -0.004 4.463 4.470 -0.005 0.000 0.231 141 S C 1.766 176.393 174.600 0.044 0.000 1.014 141 S CA 0.920 59.133 58.200 0.020 0.000 0.965 141 S CB -0.132 63.090 63.200 0.036 0.000 0.785 141 S HN 0.278 nan 8.310 nan 0.000 0.495 142 L N 0.645 121.893 121.223 0.043 0.000 2.249 142 L HA 0.126 4.462 4.340 -0.005 0.000 0.207 142 L C 2.526 179.542 176.870 0.243 0.000 1.090 142 L CA 0.390 55.316 54.840 0.143 0.000 0.802 142 L CB -0.382 41.770 42.059 0.154 0.000 0.947 142 L HN 0.202 nan 8.230 nan 0.000 0.453 143 R N 1.080 121.599 120.500 0.033 0.000 2.162 143 R HA -0.217 4.120 4.340 -0.005 0.000 0.245 143 R C -0.511 175.962 176.300 0.289 0.000 1.129 143 R CA 2.574 58.695 56.100 0.035 0.000 0.940 143 R CB -1.304 28.925 30.300 -0.117 0.000 0.875 143 R HN 0.238 nan 8.270 nan 0.000 0.437 144 P HA -0.115 nan 4.420 nan 0.000 0.223 144 P C 0.520 177.871 177.300 0.085 0.000 1.151 144 P CA 1.329 64.503 63.100 0.123 0.000 0.787 144 P CB -0.056 31.678 31.700 0.057 0.000 0.788 145 Q N -0.499 119.344 119.800 0.072 0.000 2.224 145 Q HA 0.017 4.354 4.340 -0.005 0.000 0.203 145 Q C 1.578 177.390 176.000 -0.314 0.000 0.970 145 Q CA 1.051 56.810 55.803 -0.073 0.000 0.865 145 Q CB -0.628 28.080 28.738 -0.051 0.000 0.922 145 Q HN 0.301 nan 8.270 nan 0.000 0.445 146 G N 1.322 109.779 108.800 -0.571 0.000 2.155 146 G HA2 -0.330 3.626 3.960 -0.005 0.000 0.257 146 G HA3 -0.330 3.626 3.960 -0.005 0.000 0.257 146 G C -0.060 173.753 174.900 -1.811 0.000 0.983 146 G CA 0.852 45.106 45.100 -1.410 0.000 0.676 146 G HN 0.483 nan 8.290 nan 0.000 0.528 147 Q N -2.006 116.774 119.800 -1.701 0.000 2.829 147 Q HA 0.624 4.961 4.340 -0.005 0.000 0.296 147 Q C -0.367 175.392 176.000 -0.402 0.000 0.893 147 Q CA -0.669 54.537 55.803 -0.996 0.000 0.772 147 Q CB 1.460 29.930 28.738 -0.445 0.000 1.489 147 Q HN 1.655 nan 8.270 nan 0.000 0.420 148 C N -0.917 118.367 119.300 -0.027 0.000 3.176 148 C HA 0.607 5.064 4.460 -0.005 0.000 0.343 148 C C -1.838 173.269 174.990 0.194 0.000 1.332 148 C CA -0.806 58.317 59.018 0.175 0.000 1.200 148 C CB 0.572 28.563 27.740 0.419 0.000 1.440 148 C HN 1.038 nan 8.230 nan 0.000 0.458 149 N N 0.754 119.558 118.700 0.173 0.000 2.817 149 N HA 0.418 5.154 4.740 -0.005 0.000 0.234 149 N C 0.258 175.880 175.510 0.187 0.000 1.066 149 N CA -0.567 52.574 53.050 0.151 0.000 0.926 149 N CB 0.585 39.125 38.487 0.089 0.000 1.176 149 N HN 0.596 nan 8.380 nan 0.000 0.506 150 F N 2.010 122.019 119.950 0.099 0.000 2.106 150 F HA -0.376 4.148 4.527 -0.006 0.000 0.299 150 F C 2.525 178.371 175.800 0.076 0.000 1.082 150 F CA 2.241 60.288 58.000 0.078 0.000 1.244 150 F CB -0.466 38.504 39.000 -0.052 0.000 0.997 150 F HN 0.447 nan 8.300 nan 0.000 0.486 151 T N -1.329 113.249 114.554 0.039 0.000 2.652 151 T HA -0.285 4.062 4.350 -0.005 0.000 0.267 151 T C 1.667 176.312 174.700 -0.092 0.000 1.039 151 T CA 1.647 63.714 62.100 -0.055 0.000 1.153 151 T CB -0.945 67.927 68.868 0.007 0.000 0.863 151 T HN 0.675 nan 8.240 nan 0.000 0.428 152 E N 0.827 121.008 120.200 -0.031 0.000 2.385 152 E HA -0.014 4.333 4.350 -0.005 0.000 0.194 152 E C 1.082 177.671 176.600 -0.017 0.000 1.013 152 E CA 0.685 57.072 56.400 -0.022 0.000 0.866 152 E CB -0.049 29.655 29.700 0.008 0.000 0.832 152 E HN 0.449 nan 8.360 nan 0.000 0.500 153 D N -0.764 119.633 120.400 -0.004 0.000 2.354 153 D HA 0.033 4.670 4.640 -0.005 0.000 0.209 153 D C 0.427 176.769 176.300 0.070 0.000 1.015 153 D CA 0.536 54.569 54.000 0.056 0.000 0.867 153 D CB 0.368 41.252 40.800 0.139 0.000 0.933 153 D HN 0.257 nan 8.370 nan 0.000 0.520 154 Y N 0.021 120.156 120.300 -0.275 0.000 3.341 154 Y HA 0.287 4.834 4.550 -0.006 0.000 0.179 154 Y C 1.959 177.653 175.900 -0.343 0.000 0.929 154 Y CA 0.654 58.559 58.100 -0.324 0.000 1.758 154 Y CB -0.311 37.862 38.460 -0.479 0.000 1.446 154 Y HN -0.165 nan 8.280 nan 0.000 0.337 155 A N 1.122 123.579 122.820 -0.606 0.000 1.954 155 A HA -0.299 4.017 4.320 -0.005 0.000 0.222 155 A C 1.790 179.275 177.584 -0.166 0.000 1.199 155 A CA 2.731 54.585 52.037 -0.304 0.000 0.657 155 A CB -0.759 18.098 19.000 -0.238 0.000 0.823 155 A HN 0.733 nan 8.150 nan 0.000 0.463 156 E N -0.990 119.111 120.200 -0.164 0.000 2.024 156 E HA -0.075 4.272 4.350 -0.005 0.000 0.190 156 E C -0.483 176.056 176.600 -0.102 0.000 0.974 156 E CA 0.664 57.003 56.400 -0.102 0.000 0.810 156 E CB -0.689 28.969 29.700 -0.070 0.000 0.775 156 E HN 0.518 nan 8.360 nan 0.000 0.453 157 P HA -0.207 nan 4.420 nan 0.000 0.216 157 P C 1.426 178.680 177.300 -0.075 0.000 1.150 157 P CA 1.198 64.256 63.100 -0.069 0.000 0.837 157 P CB -0.077 31.597 31.700 -0.042 0.000 0.786 158 F N 3.666 123.402 119.950 -0.357 0.000 2.031 158 F HA -0.073 4.451 4.527 -0.006 0.000 0.295 158 F C -0.769 174.922 175.800 -0.181 0.000 1.133 158 F CA 1.725 59.499 58.000 -0.377 0.000 1.188 158 F CB -2.138 36.354 39.000 -0.846 0.000 0.974 158 F HN -0.032 nan 8.300 nan 0.000 0.473 159 P HA -0.109 nan 4.420 nan 0.000 0.220 159 P C 2.189 179.366 177.300 -0.205 0.000 1.152 159 P CA 1.788 64.610 63.100 -0.463 0.000 0.812 159 P CB -0.182 31.369 31.700 -0.248 0.000 0.792 160 I N -0.085 120.414 120.570 -0.120 0.000 2.315 160 I HA -0.172 3.995 4.170 -0.005 0.000 0.248 160 I C 2.831 178.962 176.117 0.023 0.000 1.117 160 I CA 1.272 62.559 61.300 -0.021 0.000 1.404 160 I CB -0.465 37.520 38.000 -0.024 0.000 1.071 160 I HN -0.145 nan 8.210 nan 0.000 0.419 161 R N 0.465 120.947 120.500 -0.030 0.000 2.092 161 R HA -0.104 4.232 4.340 -0.005 0.000 0.231 161 R C 2.262 178.547 176.300 -0.025 0.000 1.119 161 R CA 1.104 57.197 56.100 -0.011 0.000 0.970 161 R CB -0.160 30.135 30.300 -0.008 0.000 0.864 161 R HN 0.269 nan 8.270 nan 0.000 0.440 162 I N 0.142 120.664 120.570 -0.080 0.000 2.226 162 I HA -0.266 3.901 4.170 -0.005 0.000 0.245 162 I C 2.186 178.285 176.117 -0.031 0.000 1.100 162 I CA 1.347 62.594 61.300 -0.088 0.000 1.374 162 I CB -0.898 36.982 38.000 -0.199 0.000 1.057 162 I HN 0.074 nan 8.210 nan 0.000 0.413 163 F N 1.628 121.510 119.950 -0.114 0.000 2.113 163 F HA -0.200 4.324 4.527 -0.005 0.000 0.297 163 F C 2.579 178.353 175.800 -0.045 0.000 1.103 163 F CA 1.501 59.456 58.000 -0.076 0.000 1.248 163 F CB -0.150 38.806 39.000 -0.075 0.000 0.999 163 F HN -0.096 nan 8.300 nan 0.000 0.475 164 M N -0.254 119.361 119.600 0.024 0.000 2.279 164 M HA -0.135 4.342 4.480 -0.005 0.000 0.264 164 M C 2.172 178.406 176.300 -0.110 0.000 1.062 164 M CA 1.134 56.415 55.300 -0.032 0.000 1.099 164 M CB -1.430 31.205 32.600 0.058 0.000 1.394 164 M HN 0.384 nan 8.290 nan 0.000 0.426 165 L N 0.408 121.568 121.223 -0.105 0.000 2.068 165 L HA -0.065 4.271 4.340 -0.005 0.000 0.204 165 L C 2.147 178.931 176.870 -0.144 0.000 1.076 165 L CA 1.333 56.117 54.840 -0.093 0.000 0.753 165 L CB -0.919 41.103 42.059 -0.061 0.000 0.910 165 L HN 0.211 nan 8.230 nan 0.000 0.439 166 L N 0.324 121.420 121.223 -0.211 0.000 2.083 166 L HA 0.002 4.339 4.340 -0.005 0.000 0.209 166 L C 2.301 178.989 176.870 -0.304 0.000 1.083 166 L CA 2.069 56.765 54.840 -0.240 0.000 0.752 166 L CB -1.002 40.896 42.059 -0.268 0.000 0.899 166 L HN 0.286 nan 8.230 nan 0.000 0.433 167 A N -0.959 121.589 122.820 -0.453 0.000 2.123 167 A HA 0.354 4.671 4.320 -0.005 0.000 0.214 167 A C 1.740 179.213 177.584 -0.185 0.000 1.152 167 A CA 0.627 52.434 52.037 -0.383 0.000 0.728 167 A CB -0.878 17.794 19.000 -0.547 0.000 0.814 167 A HN 0.915 nan 8.150 nan 0.000 0.464 168 G N -0.958 107.754 108.800 -0.147 0.000 2.176 168 G HA2 -0.209 3.748 3.960 -0.005 0.000 0.252 168 G HA3 -0.209 3.748 3.960 -0.005 0.000 0.252 168 G C -0.064 174.810 174.900 -0.043 0.000 1.024 168 G CA 0.475 45.527 45.100 -0.080 0.000 0.755 168 G HN 0.469 nan 8.290 nan 0.000 0.507 169 L N 0.972 122.181 121.223 -0.024 0.000 2.334 169 L HA 0.555 4.892 4.340 -0.005 0.000 0.275 169 L C -1.491 175.410 176.870 0.052 0.000 1.036 169 L CA -2.466 52.402 54.840 0.047 0.000 0.807 169 L CB 1.593 43.731 42.059 0.131 0.000 1.231 169 L HN -0.040 nan 8.230 nan 0.000 0.438 170 P HA 0.085 nan 4.420 nan 0.000 0.276 170 P C -0.255 177.085 177.300 0.067 0.000 1.230 170 P CA -0.251 62.883 63.100 0.057 0.000 0.776 170 P CB 0.871 32.605 31.700 0.056 0.000 0.888 171 E N 2.148 122.376 120.200 0.046 0.000 2.267 171 E HA -0.216 4.130 4.350 -0.005 0.000 0.197 171 E C 1.474 178.100 176.600 0.043 0.000 0.998 171 E CA 1.154 57.579 56.400 0.043 0.000 0.830 171 E CB -0.031 29.687 29.700 0.029 0.000 0.751 171 E HN 0.688 nan 8.360 nan 0.000 0.491 172 E N 1.177 121.404 120.200 0.045 0.000 2.338 172 E HA -0.180 4.167 4.350 -0.005 0.000 0.197 172 E C 0.854 177.485 176.600 0.051 0.000 1.007 172 E CA 0.991 57.416 56.400 0.041 0.000 0.849 172 E CB 0.012 29.733 29.700 0.036 0.000 0.774 172 E HN 0.117 nan 8.360 nan 0.000 0.506 173 D N 0.945 121.389 120.400 0.073 0.000 2.347 173 D HA 0.052 4.689 4.640 -0.005 0.000 0.213 173 D C 1.820 178.137 176.300 0.029 0.000 0.985 173 D CA 0.257 54.301 54.000 0.074 0.000 0.879 173 D CB -0.030 40.862 40.800 0.153 0.000 0.919 173 D HN 0.291 nan 8.370 nan 0.000 0.526 174 I N 1.454 122.044 120.570 0.034 0.000 2.145 174 I HA -0.255 3.912 4.170 -0.005 0.000 0.244 174 I C -0.585 175.542 176.117 0.018 0.000 1.075 174 I CA 1.381 62.692 61.300 0.018 0.000 1.332 174 I CB -1.370 36.644 38.000 0.023 0.000 1.033 174 I HN 0.030 nan 8.210 nan 0.000 0.410 175 P HA -0.210 nan 4.420 nan 0.000 0.216 175 P C 1.502 178.851 177.300 0.082 0.000 1.153 175 P CA 1.669 64.797 63.100 0.048 0.000 0.858 175 P CB -0.059 31.664 31.700 0.037 0.000 0.789 176 H N -0.623 118.428 119.070 -0.033 0.000 2.333 176 H HA -0.003 4.550 4.556 -0.005 0.000 0.302 176 H C 1.801 177.105 175.328 -0.040 0.000 1.075 176 H CA 1.380 57.408 56.048 -0.034 0.000 1.348 176 H CB -0.929 28.782 29.762 -0.085 0.000 1.393 176 H HN -0.056 nan 8.280 nan 0.000 0.509 177 L N 0.135 121.256 121.223 -0.170 0.000 2.027 177 L HA -0.142 4.195 4.340 -0.005 0.000 0.206 177 L C 2.627 179.403 176.870 -0.156 0.000 1.074 177 L CA 1.685 56.373 54.840 -0.254 0.000 0.745 177 L CB -0.498 41.425 42.059 -0.226 0.000 0.898 177 L HN 0.267 nan 8.230 nan 0.000 0.433 178 K N -0.154 120.202 120.400 -0.073 0.000 2.063 178 K HA -0.276 4.041 4.320 -0.005 0.000 0.208 178 K C 2.333 178.916 176.600 -0.028 0.000 1.048 178 K CA 1.746 58.006 56.287 -0.045 0.000 0.928 178 K CB -0.310 32.185 32.500 -0.008 0.000 0.713 178 K HN 0.166 nan 8.250 nan 0.000 0.442 179 Y N 1.430 121.661 120.300 -0.114 0.000 2.145 179 Y HA -0.202 4.345 4.550 -0.005 0.000 0.286 179 Y C 1.704 177.527 175.900 -0.128 0.000 1.145 179 Y CA 1.588 59.628 58.100 -0.101 0.000 1.148 179 Y CB -0.230 38.174 38.460 -0.094 0.000 0.981 179 Y HN 0.011 nan 8.280 nan 0.000 0.507 180 L N -0.331 120.731 121.223 -0.268 0.000 2.017 180 L HA -0.241 4.095 4.340 -0.005 0.000 0.208 180 L C 2.646 179.351 176.870 -0.275 0.000 1.073 180 L CA 2.130 56.763 54.840 -0.345 0.000 0.745 180 L CB -1.214 40.655 42.059 -0.315 0.000 0.894 180 L HN 0.401 nan 8.230 nan 0.000 0.432 181 T N -4.124 110.317 114.554 -0.189 0.000 2.821 181 T HA -0.172 4.175 4.350 -0.005 0.000 0.267 181 T C 1.500 176.173 174.700 -0.044 0.000 1.046 181 T CA 1.268 63.311 62.100 -0.095 0.000 1.139 181 T CB -0.360 68.453 68.868 -0.093 0.000 0.871 181 T HN 0.187 nan 8.240 nan 0.000 0.454 182 D N 1.249 121.586 120.400 -0.106 0.000 2.117 182 D HA -0.071 4.566 4.640 -0.005 0.000 0.197 182 D C 2.424 178.676 176.300 -0.080 0.000 0.987 182 D CA 0.922 54.880 54.000 -0.070 0.000 0.829 182 D CB -0.265 40.479 40.800 -0.093 0.000 0.961 182 D HN 0.339 nan 8.370 nan 0.000 0.460 183 Q N -0.458 119.205 119.800 -0.227 0.000 2.364 183 Q HA 0.022 4.358 4.340 -0.005 0.000 0.207 183 Q C 2.110 178.111 176.000 0.001 0.000 0.970 183 Q CA 0.515 56.201 55.803 -0.195 0.000 0.888 183 Q CB -0.140 28.367 28.738 -0.385 0.000 0.951 183 Q HN 0.448 nan 8.270 nan 0.000 0.469 184 M N -0.400 119.255 119.600 0.091 0.000 2.287 184 M HA -0.082 4.395 4.480 -0.005 0.000 0.266 184 M C 2.035 178.678 176.300 0.572 0.000 1.079 184 M CA 1.693 57.235 55.300 0.403 0.000 1.146 184 M CB -0.016 32.819 32.600 0.392 0.000 1.374 184 M HN 0.229 nan 8.290 nan 0.000 0.435 185 T N -1.757 113.017 114.554 0.368 0.000 2.983 185 T HA 0.104 4.451 4.350 -0.005 0.000 0.250 185 T C 1.081 175.947 174.700 0.276 0.000 1.037 185 T CA 0.233 62.525 62.100 0.319 0.000 1.142 185 T CB -0.027 68.983 68.868 0.236 0.000 0.876 185 T HN 0.254 nan 8.240 nan 0.000 0.455 186 R N 2.351 122.966 120.500 0.192 0.000 2.681 186 R HA 0.319 4.656 4.340 -0.005 0.000 0.277 186 R C -2.935 173.406 176.300 0.068 0.000 1.563 186 R CA -1.809 54.399 56.100 0.180 0.000 1.673 186 R CB 1.086 31.476 30.300 0.150 0.000 1.258 186 R HN 0.362 nan 8.270 nan 0.000 0.650 187 P HA -0.072 nan 4.420 nan 0.000 0.260 187 P C -0.322 176.947 177.300 -0.053 0.000 1.185 187 P CA 0.360 63.422 63.100 -0.062 0.000 0.763 187 P CB 0.829 32.459 31.700 -0.116 0.000 0.776 188 D N 2.258 122.641 120.400 -0.028 0.000 2.340 188 D HA 0.072 4.709 4.640 -0.005 0.000 0.220 188 D C 1.445 177.745 176.300 0.001 0.000 1.039 188 D CA 0.548 54.550 54.000 0.003 0.000 0.866 188 D CB -0.291 40.530 40.800 0.035 0.000 0.913 188 D HN 0.576 nan 8.370 nan 0.000 0.523 189 G N 0.048 108.838 108.800 -0.016 0.000 2.238 189 G HA2 -0.356 3.601 3.960 -0.005 0.000 0.217 189 G HA3 -0.356 3.601 3.960 -0.005 0.000 0.217 189 G C 1.344 176.253 174.900 0.016 0.000 0.996 189 G CA 0.621 45.716 45.100 -0.009 0.000 0.632 189 G HN 0.593 nan 8.290 nan 0.000 0.503 190 S N -0.125 115.602 115.700 0.045 0.000 2.419 190 S HA 0.251 4.718 4.470 -0.005 0.000 0.233 190 S C 1.122 175.765 174.600 0.071 0.000 1.016 190 S CA 1.792 60.041 58.200 0.082 0.000 0.974 190 S CB -0.223 63.080 63.200 0.172 0.000 0.786 190 S HN 1.830 nan 8.310 nan 0.000 0.492 191 M N 0.548 120.169 119.600 0.035 0.000 2.471 191 M HA 0.462 4.939 4.480 -0.005 0.000 0.284 191 M C -0.656 175.640 176.300 -0.007 0.000 1.203 191 M CA -0.765 54.545 55.300 0.018 0.000 0.915 191 M CB 1.645 34.264 32.600 0.032 0.000 1.734 191 M HN 0.102 nan 8.290 nan 0.000 0.485 192 T N -0.464 114.095 114.554 0.009 0.000 2.726 192 T HA 0.264 4.610 4.350 -0.005 0.000 0.294 192 T C 0.564 175.293 174.700 0.049 0.000 1.013 192 T CA -0.133 61.991 62.100 0.041 0.000 0.996 192 T CB 0.658 69.559 68.868 0.055 0.000 1.016 192 T HN 0.683 nan 8.240 nan 0.000 0.529 193 F N 1.145 121.093 119.950 -0.003 0.000 2.146 193 F HA 0.120 4.644 4.527 -0.005 0.000 0.298 193 F C 2.573 178.332 175.800 -0.069 0.000 1.096 193 F CA 1.517 59.517 58.000 -0.001 0.000 1.275 193 F CB -0.945 38.100 39.000 0.074 0.000 1.008 193 F HN 0.722 nan 8.300 nan 0.000 0.480 194 A N 0.245 123.120 122.820 0.093 0.000 1.883 194 A HA -0.225 4.091 4.320 -0.005 0.000 0.217 194 A C 2.100 179.602 177.584 -0.137 0.000 1.186 194 A CA 2.014 54.039 52.037 -0.021 0.000 0.624 194 A CB -0.953 18.084 19.000 0.062 0.000 0.822 194 A HN 0.561 nan 8.150 nan 0.000 0.444 195 E N -0.400 119.749 120.200 -0.085 0.000 2.077 195 E HA -0.099 4.248 4.350 -0.005 0.000 0.193 195 E C 2.286 178.803 176.600 -0.139 0.000 0.989 195 E CA 0.998 57.353 56.400 -0.076 0.000 0.800 195 E CB -0.282 29.404 29.700 -0.025 0.000 0.746 195 E HN 0.623 nan 8.360 nan 0.000 0.452 196 A N 1.431 124.119 122.820 -0.221 0.000 1.969 196 A HA -0.205 4.112 4.320 -0.005 0.000 0.218 196 A C 2.031 179.386 177.584 -0.382 0.000 1.169 196 A CA 1.399 53.269 52.037 -0.279 0.000 0.635 196 A CB -0.293 18.514 19.000 -0.323 0.000 0.810 196 A HN 0.052 nan 8.150 nan 0.000 0.445 197 K N -0.056 119.997 120.400 -0.578 0.000 2.001 197 K HA -0.206 4.111 4.320 -0.005 0.000 0.208 197 K C 2.097 178.381 176.600 -0.527 0.000 1.048 197 K CA 1.626 57.481 56.287 -0.720 0.000 0.932 197 K CB -0.228 31.721 32.500 -0.919 0.000 0.715 197 K HN 0.610 nan 8.250 nan 0.000 0.437 198 E N 0.161 120.186 120.200 -0.291 0.000 2.070 198 E HA -0.244 4.103 4.350 -0.005 0.000 0.197 198 E C 1.723 178.321 176.600 -0.003 0.000 1.004 198 E CA 1.461 57.813 56.400 -0.080 0.000 0.805 198 E CB -0.217 29.465 29.700 -0.029 0.000 0.744 198 E HN 0.412 nan 8.360 nan 0.000 0.451 199 A N 0.758 123.559 122.820 -0.031 0.000 1.933 199 A HA -0.133 4.184 4.320 -0.005 0.000 0.218 199 A C 2.153 179.795 177.584 0.096 0.000 1.175 199 A CA 1.305 53.377 52.037 0.059 0.000 0.628 199 A CB -0.606 18.425 19.000 0.051 0.000 0.814 199 A HN 0.410 nan 8.150 nan 0.000 0.444 200 L N -1.761 119.450 121.223 -0.020 0.000 2.093 200 L HA -0.087 4.250 4.340 -0.005 0.000 0.208 200 L C 2.230 179.256 176.870 0.259 0.000 1.085 200 L CA 1.731 56.599 54.840 0.046 0.000 0.755 200 L CB -0.620 41.379 42.059 -0.099 0.000 0.904 200 L HN 0.436 nan 8.230 nan 0.000 0.435 201 Y N -0.302 120.046 120.300 0.080 0.000 2.242 201 Y HA -0.193 4.354 4.550 -0.006 0.000 0.291 201 Y C 2.495 178.443 175.900 0.081 0.000 1.137 201 Y CA 1.115 59.258 58.100 0.072 0.000 1.181 201 Y CB -0.999 37.478 38.460 0.029 0.000 0.989 201 Y HN 0.403 nan 8.280 nan 0.000 0.527 202 D N -1.101 119.453 120.400 0.256 0.000 2.144 202 D HA -0.258 4.379 4.640 -0.005 0.000 0.199 202 D C 2.140 178.555 176.300 0.192 0.000 0.984 202 D CA 1.114 55.222 54.000 0.180 0.000 0.834 202 D CB -0.332 40.562 40.800 0.157 0.000 0.955 202 D HN 0.305 nan 8.370 nan 0.000 0.465 203 Y N 0.587 120.963 120.300 0.127 0.000 2.145 203 Y HA -0.085 4.462 4.550 -0.005 0.000 0.286 203 Y C 1.855 177.809 175.900 0.089 0.000 1.145 203 Y CA 1.479 59.649 58.100 0.116 0.000 1.148 203 Y CB -0.328 38.228 38.460 0.160 0.000 0.981 203 Y HN 0.022 nan 8.280 nan 0.000 0.507 204 L N -0.469 120.812 121.223 0.097 0.000 2.072 204 L HA -0.186 4.151 4.340 -0.005 0.000 0.205 204 L C 2.440 179.269 176.870 -0.067 0.000 1.079 204 L CA 1.091 55.917 54.840 -0.024 0.000 0.752 204 L CB -0.581 41.560 42.059 0.137 0.000 0.906 204 L HN 0.253 nan 8.230 nan 0.000 0.436 205 I N 0.255 120.812 120.570 -0.022 0.000 2.091 205 I HA -0.305 3.862 4.170 -0.005 0.000 0.240 205 I C -0.288 175.791 176.117 -0.063 0.000 1.046 205 I CA 1.965 63.240 61.300 -0.042 0.000 1.306 205 I CB -1.611 36.379 38.000 -0.017 0.000 1.018 205 I HN 0.241 nan 8.210 nan 0.000 0.404 206 P HA -0.111 nan 4.420 nan 0.000 0.218 206 P C 1.778 179.019 177.300 -0.099 0.000 1.149 206 P CA 1.465 64.518 63.100 -0.078 0.000 0.817 206 P CB -0.022 31.632 31.700 -0.077 0.000 0.785 207 I N -1.373 119.108 120.570 -0.148 0.000 2.286 207 I HA -0.169 3.998 4.170 -0.005 0.000 0.245 207 I C 2.244 178.301 176.117 -0.099 0.000 1.104 207 I CA 1.233 62.441 61.300 -0.153 0.000 1.397 207 I CB -0.450 37.400 38.000 -0.249 0.000 1.072 207 I HN -0.130 nan 8.210 nan 0.000 0.417 208 I N 0.507 121.027 120.570 -0.084 0.000 2.315 208 I HA -0.241 3.926 4.170 -0.005 0.000 0.248 208 I C 2.431 178.518 176.117 -0.050 0.000 1.117 208 I CA 1.245 62.510 61.300 -0.059 0.000 1.404 208 I CB -0.168 37.800 38.000 -0.052 0.000 1.071 208 I HN 0.189 nan 8.210 nan 0.000 0.419 209 E N 0.575 120.744 120.200 -0.051 0.000 2.158 209 E HA -0.234 4.113 4.350 -0.005 0.000 0.191 209 E C 2.069 178.645 176.600 -0.040 0.000 0.982 209 E CA 0.864 57.240 56.400 -0.041 0.000 0.823 209 E CB -0.008 29.669 29.700 -0.039 0.000 0.766 209 E HN 0.413 nan 8.360 nan 0.000 0.468 210 Q N -0.094 119.678 119.800 -0.047 0.000 2.049 210 Q HA -0.155 4.182 4.340 -0.005 0.000 0.198 210 Q C 1.968 177.944 176.000 -0.040 0.000 0.971 210 Q CA 1.174 56.951 55.803 -0.043 0.000 0.833 210 Q CB -0.008 28.699 28.738 -0.051 0.000 0.896 210 Q HN -0.004 nan 8.270 nan 0.000 0.434 211 R N 0.253 120.727 120.500 -0.045 0.000 2.189 211 R HA -0.057 4.279 4.340 -0.005 0.000 0.223 211 R C 2.237 178.517 176.300 -0.033 0.000 1.092 211 R CA 1.335 57.411 56.100 -0.040 0.000 0.989 211 R CB -0.133 30.141 30.300 -0.044 0.000 0.876 211 R HN 0.251 nan 8.270 nan 0.000 0.457 212 R N -0.707 119.774 120.500 -0.032 0.000 2.240 212 R HA -0.039 4.298 4.340 -0.005 0.000 0.203 212 R C 1.395 177.681 176.300 -0.023 0.000 1.011 212 R CA 0.914 56.998 56.100 -0.026 0.000 1.007 212 R CB 0.211 30.496 30.300 -0.026 0.000 0.911 212 R HN 0.071 nan 8.270 nan 0.000 0.468 213 Q N 0.468 120.254 119.800 -0.025 0.000 2.134 213 Q HA 0.140 4.477 4.340 -0.005 0.000 0.195 213 Q C 0.106 176.094 176.000 -0.021 0.000 0.958 213 Q CA 1.222 57.012 55.803 -0.022 0.000 0.840 213 Q CB 0.635 29.359 28.738 -0.022 0.000 0.918 213 Q HN -0.062 nan 8.270 nan 0.000 0.467 214 K N 1.161 121.547 120.400 -0.023 0.000 2.499 214 K HA 0.311 4.628 4.320 -0.005 0.000 0.215 214 K C -2.604 173.981 176.600 -0.024 0.000 1.041 214 K CA -2.017 54.256 56.287 -0.022 0.000 1.031 214 K CB 1.151 33.638 32.500 -0.022 0.000 1.479 214 K HN 0.011 nan 8.250 nan 0.000 0.518 215 P HA -0.059 nan 4.420 nan 0.000 0.260 215 P C 0.014 177.299 177.300 -0.025 0.000 1.185 215 P CA 0.266 63.352 63.100 -0.024 0.000 0.763 215 P CB 0.952 32.639 31.700 -0.021 0.000 0.776 216 G N 1.783 110.566 108.800 -0.028 0.000 2.736 216 G HA2 0.442 4.399 3.960 -0.005 0.000 0.229 216 G HA3 0.442 4.399 3.960 -0.005 0.000 0.229 216 G C 0.315 175.197 174.900 -0.031 0.000 1.380 216 G CA -0.201 44.881 45.100 -0.029 0.000 1.040 216 G HN 0.400 nan 8.290 nan 0.000 0.568 217 T N -2.009 112.525 114.554 -0.034 0.000 3.145 217 T HA 0.264 4.611 4.350 -0.005 0.000 0.281 217 T C -0.044 174.630 174.700 -0.045 0.000 1.003 217 T CA 0.180 62.259 62.100 -0.035 0.000 0.901 217 T CB -0.287 68.563 68.868 -0.030 0.000 1.112 217 T HN 0.560 nan 8.240 nan 0.000 0.535 218 D N 0.872 121.240 120.400 -0.053 0.000 2.387 218 D HA 0.637 5.273 4.640 -0.005 0.000 0.251 218 D C 1.673 177.927 176.300 -0.076 0.000 1.141 218 D CA -0.434 53.522 54.000 -0.074 0.000 0.987 218 D CB 0.876 41.627 40.800 -0.082 0.000 1.116 218 D HN 0.005 nan 8.370 nan 0.000 0.491 219 A N 0.690 123.447 122.820 -0.105 0.000 1.917 219 A HA -0.190 4.127 4.320 -0.005 0.000 0.219 219 A C 2.124 179.669 177.584 -0.066 0.000 1.182 219 A CA 1.301 53.283 52.037 -0.093 0.000 0.633 219 A CB -1.048 17.866 19.000 -0.143 0.000 0.819 219 A HN 0.692 nan 8.150 nan 0.000 0.448 220 I N -0.355 120.170 120.570 -0.075 0.000 2.202 220 I HA -0.219 3.948 4.170 -0.005 0.000 0.242 220 I C 2.684 178.779 176.117 -0.037 0.000 1.091 220 I CA 1.505 62.777 61.300 -0.046 0.000 1.368 220 I CB -0.410 37.562 38.000 -0.047 0.000 1.058 220 I HN 0.260 nan 8.210 nan 0.000 0.410 221 S N 1.051 116.725 115.700 -0.043 0.000 2.370 221 S HA -0.134 4.333 4.470 -0.005 0.000 0.226 221 S C 2.008 176.592 174.600 -0.028 0.000 1.033 221 S CA 1.134 59.313 58.200 -0.035 0.000 1.011 221 S CB -0.234 62.944 63.200 -0.037 0.000 0.852 221 S HN 0.271 nan 8.310 nan 0.000 0.457 222 I N 1.417 121.969 120.570 -0.029 0.000 2.163 222 I HA -0.118 4.049 4.170 -0.005 0.000 0.243 222 I C 2.341 178.450 176.117 -0.013 0.000 1.085 222 I CA 1.126 62.413 61.300 -0.022 0.000 1.347 222 I CB -1.671 36.315 38.000 -0.025 0.000 1.044 222 I HN 0.165 nan 8.210 nan 0.000 0.408 223 V N 1.475 121.384 119.914 -0.008 0.000 2.261 223 V HA -0.246 3.871 4.120 -0.005 0.000 0.246 223 V C 2.886 178.985 176.094 0.008 0.000 1.047 223 V CA 1.939 64.244 62.300 0.009 0.000 1.015 223 V CB -1.174 30.659 31.823 0.018 0.000 0.642 223 V HN 0.473 nan 8.190 nan 0.000 0.446 224 A N 0.192 123.010 122.820 -0.003 0.000 1.986 224 A HA -0.275 4.042 4.320 -0.005 0.000 0.220 224 A C 1.839 179.419 177.584 -0.007 0.000 1.171 224 A CA 2.491 54.524 52.037 -0.007 0.000 0.640 224 A CB -0.756 18.232 19.000 -0.019 0.000 0.811 224 A HN 0.736 nan 8.150 nan 0.000 0.451 225 N N -1.002 117.691 118.700 -0.011 0.000 2.236 225 N HA 0.276 5.012 4.740 -0.005 0.000 0.196 225 N C 0.836 176.339 175.510 -0.011 0.000 1.114 225 N CA 0.188 53.231 53.050 -0.012 0.000 0.859 225 N CB 0.450 38.927 38.487 -0.017 0.000 0.982 225 N HN 0.448 nan 8.380 nan 0.000 0.493 226 G N 0.062 108.858 108.800 -0.007 0.000 2.621 226 G HA2 0.301 4.258 3.960 -0.005 0.000 0.271 226 G HA3 0.301 4.258 3.960 -0.005 0.000 0.271 226 G C -0.472 174.418 174.900 -0.017 0.000 1.236 226 G CA -0.297 44.797 45.100 -0.011 0.000 0.958 226 G HN 0.092 nan 8.290 nan 0.000 0.512 227 Q N -1.417 118.364 119.800 -0.032 0.000 2.394 227 Q HA 0.482 4.819 4.340 -0.005 0.000 0.273 227 Q C -0.892 175.053 176.000 -0.091 0.000 1.089 227 Q CA -0.985 54.787 55.803 -0.052 0.000 0.812 227 Q CB 2.768 31.476 28.738 -0.049 0.000 1.353 227 Q HN 0.495 nan 8.270 nan 0.000 0.438 228 V N -0.386 119.442 119.914 -0.144 0.000 2.311 228 V HA 0.337 4.453 4.120 -0.005 0.000 0.275 228 V C 0.020 175.982 176.094 -0.219 0.000 1.022 228 V CA -0.642 61.498 62.300 -0.266 0.000 0.830 228 V CB 0.431 31.926 31.823 -0.547 0.000 1.012 228 V HN 0.957 nan 8.190 nan 0.000 0.452 229 N N 3.811 122.408 118.700 -0.171 0.000 2.714 229 N HA -0.263 4.473 4.740 -0.005 0.000 0.252 229 N C 1.170 176.623 175.510 -0.095 0.000 1.014 229 N CA 0.744 53.719 53.050 -0.124 0.000 0.735 229 N CB -0.972 37.435 38.487 -0.133 0.000 0.924 229 N HN 1.571 nan 8.380 nan 0.000 0.540 230 G N -0.262 108.489 108.800 -0.081 0.000 2.475 230 G HA2 -0.315 3.642 3.960 -0.005 0.000 0.209 230 G HA3 -0.315 3.642 3.960 -0.005 0.000 0.209 230 G C 0.043 174.910 174.900 -0.054 0.000 1.127 230 G CA 0.200 45.264 45.100 -0.060 0.000 0.681 230 G HN 0.612 nan 8.290 nan 0.000 0.517 231 R N 1.619 122.081 120.500 -0.064 0.000 2.486 231 R HA 0.687 5.024 4.340 -0.005 0.000 0.286 231 R C -2.993 173.280 176.300 -0.045 0.000 0.999 231 R CA -2.136 53.935 56.100 -0.047 0.000 0.993 231 R CB 0.034 30.310 30.300 -0.040 0.000 1.084 231 R HN 0.196 nan 8.270 nan 0.000 0.487 232 P HA -0.029 nan 4.420 nan 0.000 0.264 232 P C -0.381 176.920 177.300 0.001 0.000 1.193 232 P CA 0.003 63.094 63.100 -0.015 0.000 0.763 232 P CB 0.419 32.113 31.700 -0.010 0.000 0.810 233 I N 3.030 123.607 120.570 0.012 0.000 2.634 233 I HA 0.091 4.257 4.170 -0.005 0.000 0.284 233 I C 0.909 177.052 176.117 0.043 0.000 1.124 233 I CA 0.011 61.343 61.300 0.053 0.000 1.417 233 I CB 0.755 38.799 38.000 0.074 0.000 1.396 233 I HN 0.397 nan 8.210 nan 0.000 0.571 234 T N 2.423 117.011 114.554 0.057 0.000 2.766 234 T HA 0.133 4.479 4.350 -0.005 0.000 0.295 234 T C 1.069 175.771 174.700 0.004 0.000 1.024 234 T CA -0.320 61.794 62.100 0.024 0.000 1.018 234 T CB 1.317 70.198 68.868 0.022 0.000 1.002 234 T HN 0.659 nan 8.240 nan 0.000 0.532 235 S N 0.096 115.786 115.700 -0.017 0.000 2.423 235 S HA -0.068 4.398 4.470 -0.005 0.000 0.231 235 S C 1.589 176.151 174.600 -0.064 0.000 1.014 235 S CA 1.273 59.451 58.200 -0.036 0.000 0.965 235 S CB -0.529 62.648 63.200 -0.039 0.000 0.785 235 S HN 0.899 nan 8.310 nan 0.000 0.495 236 D N 0.830 121.189 120.400 -0.069 0.000 2.137 236 D HA -0.026 4.610 4.640 -0.005 0.000 0.202 236 D C 1.991 178.218 176.300 -0.121 0.000 0.970 236 D CA 0.812 54.740 54.000 -0.120 0.000 0.837 236 D CB 0.084 40.824 40.800 -0.101 0.000 0.981 236 D HN 0.366 nan 8.370 nan 0.000 0.475 237 E N -0.093 120.073 120.200 -0.056 0.000 2.110 237 E HA -0.158 4.188 4.350 -0.005 0.000 0.193 237 E C 2.010 178.597 176.600 -0.020 0.000 0.988 237 E CA 0.915 57.291 56.400 -0.040 0.000 0.804 237 E CB -0.070 29.687 29.700 0.094 0.000 0.745 237 E HN 0.287 nan 8.360 nan 0.000 0.458 238 A N 1.414 124.231 122.820 -0.006 0.000 1.969 238 A HA -0.215 4.102 4.320 -0.005 0.000 0.218 238 A C 2.032 179.599 177.584 -0.029 0.000 1.169 238 A CA 1.519 53.557 52.037 0.001 0.000 0.635 238 A CB -0.317 18.682 19.000 -0.003 0.000 0.810 238 A HN 0.079 nan 8.150 nan 0.000 0.445 239 K N -0.297 120.047 120.400 -0.094 0.000 2.097 239 K HA -0.100 4.217 4.320 -0.005 0.000 0.205 239 K C 2.095 178.628 176.600 -0.111 0.000 1.050 239 K CA 1.238 57.434 56.287 -0.152 0.000 0.938 239 K CB -0.145 32.152 32.500 -0.339 0.000 0.718 239 K HN 0.424 nan 8.250 nan 0.000 0.442 240 R N -0.085 120.342 120.500 -0.123 0.000 2.189 240 R HA -0.003 4.333 4.340 -0.005 0.000 0.218 240 R C 2.262 178.628 176.300 0.109 0.000 1.074 240 R CA 1.167 57.308 56.100 0.067 0.000 0.991 240 R CB -0.100 30.185 30.300 -0.026 0.000 0.883 240 R HN 0.315 nan 8.270 nan 0.000 0.457 241 M N -0.399 119.221 119.600 0.033 0.000 2.287 241 M HA -0.083 4.394 4.480 -0.005 0.000 0.266 241 M C 1.725 178.039 176.300 0.024 0.000 1.079 241 M CA 1.328 56.651 55.300 0.039 0.000 1.146 241 M CB 0.175 32.812 32.600 0.062 0.000 1.374 241 M HN 0.186 nan 8.290 nan 0.000 0.435 242 C N 0.566 119.886 119.300 0.034 0.000 2.435 242 C HA 0.003 4.460 4.460 -0.005 0.000 0.279 242 C C 2.705 177.693 174.990 -0.004 0.000 1.321 242 C CA 0.892 59.938 59.018 0.047 0.000 1.752 242 C CB -1.849 25.930 27.740 0.066 0.000 1.959 242 C HN 0.800 nan 8.230 nan 0.000 0.500 243 G N 0.649 109.427 108.800 -0.037 0.000 2.421 243 G HA2 -0.052 3.905 3.960 -0.005 0.000 0.216 243 G HA3 -0.052 3.905 3.960 -0.005 0.000 0.216 243 G C 1.890 176.254 174.900 -0.894 0.000 1.171 243 G CA 1.010 45.903 45.100 -0.344 0.000 0.775 243 G HN 0.588 nan 8.290 nan 0.000 0.543 244 A N 0.611 123.025 122.820 -0.677 0.000 1.902 244 A HA 0.065 4.382 4.320 -0.005 0.000 0.217 244 A C 2.446 179.878 177.584 -0.253 0.000 1.181 244 A CA 1.348 53.086 52.037 -0.500 0.000 0.623 244 A CB -0.413 18.518 19.000 -0.115 0.000 0.818 244 A HN 0.361 nan 8.150 nan 0.000 0.443 245 L N -0.729 120.432 121.223 -0.104 0.000 2.093 245 L HA -0.144 4.192 4.340 -0.005 0.000 0.208 245 L C 2.517 179.351 176.870 -0.060 0.000 1.085 245 L CA 0.554 55.423 54.840 0.048 0.000 0.755 245 L CB -0.495 41.690 42.059 0.211 0.000 0.904 245 L HN 0.306 nan 8.230 nan 0.000 0.435 246 L N -0.307 120.860 121.223 -0.094 0.000 2.027 246 L HA -0.221 4.116 4.340 -0.005 0.000 0.206 246 L C 2.507 179.140 176.870 -0.394 0.000 1.074 246 L CA 1.711 56.391 54.840 -0.268 0.000 0.745 246 L CB -0.914 41.094 42.059 -0.086 0.000 0.898 246 L HN 0.317 nan 8.230 nan 0.000 0.433 247 L N -0.352 120.660 121.223 -0.351 0.000 1.989 247 L HA -0.198 4.139 4.340 -0.005 0.000 0.211 247 L C 2.416 179.193 176.870 -0.156 0.000 1.071 247 L CA 1.920 56.623 54.840 -0.228 0.000 0.749 247 L CB -0.773 41.139 42.059 -0.245 0.000 0.890 247 L HN 0.335 nan 8.230 nan 0.000 0.431 248 G N -1.044 107.662 108.800 -0.157 0.000 2.491 248 G HA2 -0.266 3.691 3.960 -0.005 0.000 0.218 248 G HA3 -0.266 3.691 3.960 -0.005 0.000 0.218 248 G C 1.193 175.982 174.900 -0.185 0.000 1.180 248 G CA 0.738 45.779 45.100 -0.098 0.000 0.774 248 G HN 0.557 nan 8.290 nan 0.000 0.562 249 G N -0.872 107.671 108.800 -0.427 0.000 3.523 249 G HA2 0.399 4.355 3.960 -0.005 0.000 0.270 249 G HA3 0.399 4.355 3.960 -0.005 0.000 0.270 249 G C 0.846 175.388 174.900 -0.597 0.000 1.134 249 G CA -0.173 44.627 45.100 -0.501 0.000 0.825 249 G HN 0.275 nan 8.290 nan 0.000 0.534 250 L N -1.033 119.905 121.223 -0.474 0.000 2.609 250 L HA 0.369 4.706 4.340 -0.005 0.000 0.230 250 L C 1.705 178.481 176.870 -0.157 0.000 1.064 250 L CA 1.061 55.706 54.840 -0.325 0.000 0.873 250 L CB 0.959 42.824 42.059 -0.323 0.000 1.139 250 L HN 0.217 nan 8.230 nan 0.000 0.490 251 D N -2.230 118.103 120.400 -0.111 0.000 2.514 251 D HA -0.078 4.558 4.640 -0.005 0.000 0.249 251 D C 2.018 178.328 176.300 0.017 0.000 1.036 251 D CA 1.123 55.106 54.000 -0.029 0.000 0.911 251 D CB 0.422 41.226 40.800 0.007 0.000 1.145 251 D HN 0.228 nan 8.370 nan 0.000 0.495 252 T N -0.954 113.611 114.554 0.019 0.000 2.545 252 T HA -0.186 4.161 4.350 -0.005 0.000 0.261 252 T C 2.066 176.836 174.700 0.118 0.000 1.097 252 T CA 1.816 63.957 62.100 0.067 0.000 1.189 252 T CB -1.130 67.771 68.868 0.055 0.000 0.863 252 T HN -0.042 nan 8.240 nan 0.000 0.405 253 V N 1.808 121.778 119.914 0.093 0.000 2.392 253 V HA -0.168 3.949 4.120 -0.005 0.000 0.249 253 V C 2.999 179.206 176.094 0.189 0.000 1.059 253 V CA 1.602 63.999 62.300 0.162 0.000 1.051 253 V CB -1.013 30.866 31.823 0.093 0.000 0.658 253 V HN 0.436 nan 8.190 nan 0.000 0.455 254 V N 0.724 120.690 119.914 0.088 0.000 2.231 254 V HA -0.317 3.800 4.120 -0.005 0.000 0.248 254 V C 2.327 178.462 176.094 0.069 0.000 1.054 254 V CA 2.514 64.846 62.300 0.053 0.000 1.015 254 V CB -0.857 30.962 31.823 -0.006 0.000 0.638 254 V HN 0.604 nan 8.190 nan 0.000 0.444 255 N N -0.646 118.094 118.700 0.066 0.000 2.166 255 N HA -0.164 4.572 4.740 -0.005 0.000 0.186 255 N C 1.799 177.346 175.510 0.061 0.000 1.019 255 N CA 1.720 54.767 53.050 -0.004 0.000 0.856 255 N CB -0.378 38.138 38.487 0.048 0.000 0.993 255 N HN 0.566 nan 8.380 nan 0.000 0.426 256 F N 2.086 122.122 119.950 0.143 0.000 2.134 256 F HA -0.059 4.465 4.527 -0.006 0.000 0.299 256 F C 2.185 178.086 175.800 0.167 0.000 1.097 256 F CA 0.918 59.066 58.000 0.247 0.000 1.264 256 F CB -0.235 38.861 39.000 0.161 0.000 1.001 256 F HN -0.089 nan 8.300 nan 0.000 0.479 257 L N -0.536 120.789 121.223 0.171 0.000 2.127 257 L HA -0.262 4.075 4.340 -0.005 0.000 0.211 257 L C 2.473 179.371 176.870 0.047 0.000 1.089 257 L CA 1.433 56.361 54.840 0.147 0.000 0.757 257 L CB -0.794 41.499 42.059 0.390 0.000 0.899 257 L HN 0.127 nan 8.230 nan 0.000 0.434 258 S N -0.768 114.936 115.700 0.005 0.000 2.387 258 S HA -0.070 4.397 4.470 -0.005 0.000 0.226 258 S C 1.713 176.078 174.600 -0.390 0.000 1.026 258 S CA 0.930 59.063 58.200 -0.111 0.000 0.972 258 S CB -0.217 62.880 63.200 -0.173 0.000 0.814 258 S HN 0.229 nan 8.310 nan 0.000 0.477 259 F N 2.241 121.942 119.950 -0.415 0.000 2.146 259 F HA -0.063 4.461 4.527 -0.005 0.000 0.298 259 F C 2.718 177.940 175.800 -0.963 0.000 1.096 259 F CA 0.820 58.417 58.000 -0.672 0.000 1.275 259 F CB -0.912 37.699 39.000 -0.649 0.000 1.008 259 F HN 0.098 nan 8.300 nan 0.000 0.480 260 S N -0.243 115.043 115.700 -0.690 0.000 2.345 260 S HA -0.226 4.241 4.470 -0.005 0.000 0.220 260 S C 2.005 176.400 174.600 -0.343 0.000 1.031 260 S CA 1.379 59.244 58.200 -0.560 0.000 0.996 260 S CB -0.455 62.462 63.200 -0.471 0.000 0.882 260 S HN 0.225 nan 8.310 nan 0.000 0.445 261 M N 1.810 121.128 119.600 -0.470 0.000 2.213 261 M HA -0.027 4.449 4.480 -0.005 0.000 0.263 261 M C 1.918 177.986 176.300 -0.386 0.000 1.062 261 M CA 1.284 56.213 55.300 -0.618 0.000 1.105 261 M CB -0.470 31.250 32.600 -1.468 0.000 1.385 261 M HN 0.366 nan 8.290 nan 0.000 0.417 262 E N -1.081 118.921 120.200 -0.330 0.000 2.051 262 E HA -0.250 4.097 4.350 -0.005 0.000 0.192 262 E C 1.970 178.508 176.600 -0.103 0.000 0.991 262 E CA 1.475 57.774 56.400 -0.168 0.000 0.799 262 E CB -0.373 29.269 29.700 -0.097 0.000 0.748 262 E HN 0.542 nan 8.360 nan 0.000 0.449 263 F N 1.290 121.070 119.950 -0.284 0.000 2.134 263 F HA -0.132 4.392 4.527 -0.005 0.000 0.299 263 F C 1.891 177.618 175.800 -0.123 0.000 1.097 263 F CA 1.191 59.078 58.000 -0.188 0.000 1.264 263 F CB -0.115 38.730 39.000 -0.259 0.000 1.001 263 F HN -0.004 nan 8.300 nan 0.000 0.479 264 L N 0.134 121.247 121.223 -0.183 0.000 2.093 264 L HA -0.163 4.174 4.340 -0.005 0.000 0.208 264 L C 2.828 179.499 176.870 -0.331 0.000 1.085 264 L CA 1.060 55.764 54.840 -0.227 0.000 0.755 264 L CB -1.166 40.926 42.059 0.056 0.000 0.904 264 L HN 0.300 nan 8.230 nan 0.000 0.435 265 A N 0.178 122.916 122.820 -0.136 0.000 1.972 265 A HA -0.181 4.136 4.320 -0.005 0.000 0.219 265 A C 2.125 179.580 177.584 -0.214 0.000 1.169 265 A CA 1.425 53.389 52.037 -0.122 0.000 0.635 265 A CB -0.221 18.866 19.000 0.145 0.000 0.810 265 A HN 0.361 nan 8.150 nan 0.000 0.446 266 K N -0.154 120.100 120.400 -0.244 0.000 2.404 266 K HA 0.176 4.493 4.320 -0.005 0.000 0.194 266 K C -0.334 176.081 176.600 -0.308 0.000 1.023 266 K CA 0.220 56.377 56.287 -0.217 0.000 1.094 266 K CB 0.453 32.864 32.500 -0.150 0.000 0.841 266 K HN 0.237 nan 8.250 nan 0.000 0.523 267 S N 2.242 117.667 115.700 -0.458 0.000 2.130 267 S HA 0.159 4.626 4.470 -0.005 0.000 0.165 267 S C -1.988 172.465 174.600 -0.245 0.000 1.677 267 S CA -1.037 56.912 58.200 -0.418 0.000 1.227 267 S CB 1.179 63.839 63.200 -0.899 0.000 1.115 267 S HN 0.065 nan 8.310 nan 0.000 0.452 268 P HA -0.174 nan 4.420 nan 0.000 0.217 268 P C 1.271 178.528 177.300 -0.070 0.000 1.150 268 P CA 1.029 64.039 63.100 -0.149 0.000 0.832 268 P CB 0.420 32.045 31.700 -0.125 0.000 0.787 269 E N -0.608 119.568 120.200 -0.040 0.000 2.110 269 E HA -0.232 4.115 4.350 -0.005 0.000 0.193 269 E C 1.963 178.532 176.600 -0.051 0.000 0.988 269 E CA 1.065 57.439 56.400 -0.045 0.000 0.804 269 E CB -0.378 29.288 29.700 -0.056 0.000 0.745 269 E HN 0.307 nan 8.360 nan 0.000 0.458 270 H N -0.241 118.809 119.070 -0.033 0.000 2.389 270 H HA 0.041 4.593 4.556 -0.006 0.000 0.299 270 H C 2.166 177.607 175.328 0.189 0.000 1.081 270 H CA 1.507 57.609 56.048 0.090 0.000 1.345 270 H CB 0.151 29.960 29.762 0.078 0.000 1.393 270 H HN 0.074 nan 8.280 nan 0.000 0.520 271 R N 0.199 120.785 120.500 0.143 0.000 2.070 271 R HA -0.158 4.179 4.340 -0.005 0.000 0.233 271 R C 2.178 178.519 176.300 0.067 0.000 1.137 271 R CA 1.503 57.646 56.100 0.071 0.000 0.945 271 R CB -0.252 29.981 30.300 -0.111 0.000 0.845 271 R HN 0.298 nan 8.270 nan 0.000 0.430 272 Q N 0.567 120.382 119.800 0.025 0.000 2.234 272 Q HA -0.183 4.154 4.340 -0.005 0.000 0.206 272 Q C 1.853 177.882 176.000 0.047 0.000 0.980 272 Q CA 1.484 57.300 55.803 0.022 0.000 0.869 272 Q CB -0.060 28.677 28.738 -0.001 0.000 0.912 272 Q HN 0.386 nan 8.270 nan 0.000 0.436 273 E N -0.084 120.161 120.200 0.076 0.000 2.077 273 E HA -0.185 4.162 4.350 -0.005 0.000 0.193 273 E C 1.466 178.134 176.600 0.112 0.000 0.989 273 E CA 0.906 57.366 56.400 0.100 0.000 0.800 273 E CB -0.045 29.743 29.700 0.147 0.000 0.746 273 E HN 0.378 nan 8.360 nan 0.000 0.452 274 L N 0.517 121.818 121.223 0.131 0.000 2.313 274 L HA -0.046 4.291 4.340 -0.005 0.000 0.214 274 L C 2.337 179.239 176.870 0.053 0.000 1.119 274 L CA 0.259 55.141 54.840 0.070 0.000 0.809 274 L CB -0.155 41.934 42.059 0.049 0.000 0.933 274 L HN 0.236 nan 8.230 nan 0.000 0.449 275 I N -0.074 120.530 120.570 0.057 0.000 2.162 275 I HA -0.228 3.939 4.170 -0.005 0.000 0.238 275 I C 2.348 178.484 176.117 0.032 0.000 1.076 275 I CA 1.352 62.677 61.300 0.041 0.000 1.353 275 I CB -0.132 37.888 38.000 0.034 0.000 1.063 275 I HN 0.227 nan 8.210 nan 0.000 0.408 276 E N 0.251 120.470 120.200 0.032 0.000 2.150 276 E HA -0.134 4.213 4.350 -0.005 0.000 0.193 276 E C 0.689 177.306 176.600 0.028 0.000 0.985 276 E CA 0.712 57.128 56.400 0.026 0.000 0.814 276 E CB 0.132 29.846 29.700 0.024 0.000 0.752 276 E HN 0.120 nan 8.360 nan 0.000 0.466 277 R N 0.527 121.048 120.500 0.036 0.000 2.651 277 R HA 0.132 4.469 4.340 -0.005 0.000 0.282 277 R C -2.067 174.250 176.300 0.029 0.000 1.565 277 R CA -1.804 54.316 56.100 0.034 0.000 1.661 277 R CB 0.740 31.065 30.300 0.042 0.000 1.189 277 R HN -0.009 nan 8.270 nan 0.000 0.621 278 P HA -0.191 nan 4.420 nan 0.000 0.222 278 P C 0.449 177.756 177.300 0.011 0.000 1.147 278 P CA 0.981 64.091 63.100 0.016 0.000 0.790 278 P CB 0.481 32.193 31.700 0.019 0.000 0.780 279 E N 1.232 121.442 120.200 0.016 0.000 2.409 279 E HA -0.160 4.186 4.350 -0.005 0.000 0.198 279 E C 1.429 178.037 176.600 0.013 0.000 1.024 279 E CA 0.720 57.130 56.400 0.017 0.000 0.861 279 E CB -0.675 29.037 29.700 0.021 0.000 0.788 279 E HN 0.359 nan 8.360 nan 0.000 0.521 280 R N 0.427 120.931 120.500 0.006 0.000 2.310 280 R HA 0.279 4.616 4.340 -0.005 0.000 0.202 280 R C 2.265 178.526 176.300 -0.065 0.000 0.933 280 R CA 0.065 56.164 56.100 -0.002 0.000 1.054 280 R CB -0.223 30.094 30.300 0.028 0.000 0.985 280 R HN 0.196 nan 8.270 nan 0.000 0.489 281 I N 2.011 122.541 120.570 -0.066 0.000 2.208 281 I HA -0.214 3.953 4.170 -0.005 0.000 0.245 281 I C -0.656 175.421 176.117 -0.066 0.000 1.097 281 I CA 1.571 62.812 61.300 -0.099 0.000 1.363 281 I CB -1.103 36.875 38.000 -0.036 0.000 1.051 281 I HN 0.030 nan 8.210 nan 0.000 0.413 282 P HA -0.157 nan 4.420 nan 0.000 0.216 282 P C 1.512 178.827 177.300 0.024 0.000 1.153 282 P CA 1.775 64.890 63.100 0.026 0.000 0.848 282 P CB -0.012 31.712 31.700 0.041 0.000 0.787 283 A N 0.010 122.837 122.820 0.012 0.000 1.902 283 A HA -0.135 4.181 4.320 -0.005 0.000 0.217 283 A C 2.308 179.904 177.584 0.020 0.000 1.181 283 A CA 2.113 54.174 52.037 0.040 0.000 0.623 283 A CB -1.622 17.414 19.000 0.059 0.000 0.818 283 A HN 0.188 nan 8.150 nan 0.000 0.443 284 A N -0.972 121.750 122.820 -0.164 0.000 1.933 284 A HA -0.207 4.110 4.320 -0.005 0.000 0.218 284 A C 2.406 179.932 177.584 -0.097 0.000 1.175 284 A CA 1.700 53.460 52.037 -0.461 0.000 0.628 284 A CB -1.477 16.751 19.000 -1.288 0.000 0.814 284 A HN 0.909 nan 8.150 nan 0.000 0.444 285 C N -0.557 118.726 119.300 -0.029 0.000 2.413 285 C HA -0.152 4.305 4.460 -0.005 0.000 0.276 285 C C 2.586 177.657 174.990 0.135 0.000 1.236 285 C CA 1.957 61.037 59.018 0.104 0.000 1.735 285 C CB -1.050 26.755 27.740 0.109 0.000 2.031 285 C HN 0.685 nan 8.230 nan 0.000 0.474 286 E N 0.617 120.882 120.200 0.109 0.000 2.072 286 E HA -0.185 4.161 4.350 -0.005 0.000 0.191 286 E C 2.054 178.709 176.600 0.091 0.000 0.985 286 E CA 1.879 58.346 56.400 0.113 0.000 0.801 286 E CB -0.402 29.389 29.700 0.152 0.000 0.750 286 E HN 0.791 nan 8.360 nan 0.000 0.452 287 E N 0.009 120.291 120.200 0.137 0.000 2.110 287 E HA -0.128 4.218 4.350 -0.005 0.000 0.193 287 E C 1.937 178.589 176.600 0.087 0.000 0.988 287 E CA 1.144 57.621 56.400 0.129 0.000 0.804 287 E CB -0.333 29.517 29.700 0.249 0.000 0.745 287 E HN 0.346 nan 8.360 nan 0.000 0.458 288 L N -0.008 121.334 121.223 0.199 0.000 2.083 288 L HA -0.138 4.199 4.340 -0.005 0.000 0.209 288 L C 2.508 179.606 176.870 0.381 0.000 1.083 288 L CA 0.895 55.909 54.840 0.290 0.000 0.752 288 L CB -0.403 41.868 42.059 0.354 0.000 0.899 288 L HN 0.233 nan 8.230 nan 0.000 0.433 289 L N -0.587 120.777 121.223 0.236 0.000 2.131 289 L HA -0.220 4.117 4.340 -0.005 0.000 0.210 289 L C 2.818 179.499 176.870 -0.314 0.000 1.092 289 L CA 1.081 55.833 54.840 -0.148 0.000 0.759 289 L CB -0.454 41.276 42.059 -0.548 0.000 0.903 289 L HN 0.277 nan 8.230 nan 0.000 0.435 290 R N 0.350 120.681 120.500 -0.282 0.000 2.056 290 R HA -0.188 4.148 4.340 -0.005 0.000 0.227 290 R C 2.488 178.625 176.300 -0.271 0.000 1.149 290 R CA 1.407 57.345 56.100 -0.270 0.000 0.937 290 R CB -0.155 30.076 30.300 -0.115 0.000 0.835 290 R HN 0.030 nan 8.270 nan 0.000 0.430 291 R N 0.001 120.297 120.500 -0.340 0.000 2.127 291 R HA -0.105 4.231 4.340 -0.005 0.000 0.238 291 R C 0.632 176.391 176.300 -0.901 0.000 1.134 291 R CA 1.668 57.367 56.100 -0.668 0.000 0.975 291 R CB -0.256 29.475 30.300 -0.949 0.000 0.865 291 R HN 0.303 nan 8.270 nan 0.000 0.447 292 F N -0.024 119.814 119.950 -0.187 0.000 2.855 292 F HA 0.401 4.925 4.527 -0.005 0.000 0.317 292 F C 0.424 176.092 175.800 -0.221 0.000 1.169 292 F CA -0.557 57.274 58.000 -0.282 0.000 1.299 292 F CB 0.324 39.137 39.000 -0.310 0.000 0.962 292 F HN -0.152 nan 8.300 nan 0.000 0.506 293 S N 1.652 117.253 115.700 -0.166 0.000 2.558 293 S HA 0.162 4.629 4.470 -0.005 0.000 0.287 293 S C 1.010 175.438 174.600 -0.286 0.000 1.321 293 S CA 0.078 58.136 58.200 -0.237 0.000 1.048 293 S CB 0.480 63.500 63.200 -0.299 0.000 0.844 293 S HN 0.569 nan 8.310 nan 0.000 0.512 294 L N 1.857 122.934 121.223 -0.242 0.000 3.327 294 L HA 0.557 4.894 4.340 -0.005 0.000 0.299 294 L C -0.583 176.131 176.870 -0.259 0.000 1.201 294 L CA -0.463 54.228 54.840 -0.248 0.000 1.059 294 L CB 0.158 42.207 42.059 -0.016 0.000 1.488 294 L HN 0.309 nan 8.230 nan 0.000 0.609 295 V N 2.119 121.882 119.914 -0.251 0.000 2.567 295 V HA 0.791 4.908 4.120 -0.005 0.000 0.289 295 V C 0.355 176.261 176.094 -0.314 0.000 1.049 295 V CA 0.177 62.341 62.300 -0.226 0.000 0.969 295 V CB 1.320 33.062 31.823 -0.136 0.000 0.995 295 V HN 0.377 nan 8.190 nan 0.000 0.471 296 A N 3.598 126.229 122.820 -0.315 0.000 2.667 296 A HA 0.648 4.965 4.320 -0.005 0.000 0.291 296 A C -0.838 176.600 177.584 -0.243 0.000 1.123 296 A CA -0.664 51.197 52.037 -0.293 0.000 0.832 296 A CB 0.590 19.272 19.000 -0.530 0.000 1.396 296 A HN 0.849 nan 8.150 nan 0.000 0.401 297 D N 1.120 121.420 120.400 -0.166 0.000 2.689 297 D HA 0.855 5.491 4.640 -0.005 0.000 0.255 297 D C 0.469 176.735 176.300 -0.056 0.000 1.113 297 D CA 0.053 53.919 54.000 -0.224 0.000 1.115 297 D CB 1.264 41.901 40.800 -0.273 0.000 1.334 297 D HN 0.696 nan 8.370 nan 0.000 0.621 298 G N -1.616 107.149 108.800 -0.059 0.000 2.976 298 G HA2 0.628 4.585 3.960 -0.005 0.000 0.276 298 G HA3 0.628 4.585 3.960 -0.005 0.000 0.276 298 G C -0.908 173.994 174.900 0.002 0.000 1.207 298 G CA -0.753 44.323 45.100 -0.040 0.000 0.803 298 G HN 0.422 nan 8.290 nan 0.000 0.572 299 R N -1.241 119.262 120.500 0.006 0.000 2.831 299 R HA 0.600 4.937 4.340 -0.005 0.000 0.266 299 R C -1.491 174.893 176.300 0.140 0.000 1.051 299 R CA -0.741 55.412 56.100 0.088 0.000 0.943 299 R CB 1.821 32.208 30.300 0.145 0.000 1.228 299 R HN 0.533 nan 8.270 nan 0.000 0.467 300 I N 1.468 122.128 120.570 0.151 0.000 2.509 300 I HA 0.273 4.440 4.170 -0.005 0.000 0.293 300 I C -0.602 175.592 176.117 0.128 0.000 1.020 300 I CA -1.040 60.349 61.300 0.149 0.000 1.088 300 I CB 1.323 39.385 38.000 0.104 0.000 1.267 300 I HN 0.229 nan 8.210 nan 0.000 0.430 301 L N 6.566 127.868 121.223 0.131 0.000 2.418 301 L HA 0.114 4.450 4.340 -0.005 0.000 0.274 301 L C 1.536 178.409 176.870 0.005 0.000 1.135 301 L CA 0.396 55.246 54.840 0.018 0.000 0.870 301 L CB 0.975 43.084 42.059 0.084 0.000 1.154 301 L HN 0.774 nan 8.230 nan 0.000 0.462 302 T N -1.463 113.056 114.554 -0.059 0.000 3.148 302 T HA 0.080 4.426 4.350 -0.005 0.000 0.253 302 T C 0.662 175.348 174.700 -0.024 0.000 1.134 302 T CA 0.379 62.457 62.100 -0.038 0.000 1.051 302 T CB 0.040 68.862 68.868 -0.077 0.000 0.959 302 T HN 0.654 nan 8.240 nan 0.000 0.525 303 S N -0.532 115.164 115.700 -0.007 0.000 2.627 303 S HA 0.363 4.830 4.470 -0.005 0.000 0.268 303 S C -2.091 172.541 174.600 0.054 0.000 1.130 303 S CA -1.196 57.018 58.200 0.022 0.000 0.819 303 S CB 0.671 63.883 63.200 0.020 0.000 1.100 303 S HN 0.064 nan 8.310 nan 0.000 0.465 304 D N 0.928 121.360 120.400 0.052 0.000 2.449 304 D HA 0.460 5.097 4.640 -0.005 0.000 0.236 304 D C -0.667 175.712 176.300 0.131 0.000 1.149 304 D CA 1.123 55.158 54.000 0.059 0.000 0.878 304 D CB 0.105 40.921 40.800 0.026 0.000 1.198 304 D HN 0.606 nan 8.370 nan 0.000 0.446 305 Y N 0.142 120.389 120.300 -0.088 0.000 2.357 305 Y HA 0.118 4.665 4.550 -0.004 0.000 0.319 305 Y C -1.288 174.544 175.900 -0.112 0.000 1.225 305 Y CA -0.874 57.125 58.100 -0.169 0.000 1.095 305 Y CB 1.072 39.299 38.460 -0.387 0.000 1.302 305 Y HN 0.354 nan 8.280 nan 0.000 0.429 306 E N 6.414 126.286 120.200 -0.546 0.000 2.105 306 E HA 0.319 4.666 4.350 -0.005 0.000 0.285 306 E C -1.851 174.321 176.600 -0.714 0.000 1.055 306 E CA -0.398 55.721 56.400 -0.469 0.000 0.843 306 E CB 0.486 30.023 29.700 -0.273 0.000 1.067 306 E HN 0.445 nan 8.360 nan 0.000 0.398 307 F N 5.512 125.091 119.950 -0.618 0.000 2.427 307 F HA 0.246 4.770 4.527 -0.005 0.000 0.348 307 F C -0.310 175.413 175.800 -0.129 0.000 1.125 307 F CA -0.632 57.136 58.000 -0.387 0.000 0.989 307 F CB 0.500 39.438 39.000 -0.103 0.000 1.165 307 F HN 0.631 nan 8.300 nan 0.000 0.442 308 H N 4.166 122.878 119.070 -0.597 0.000 2.592 308 H HA -0.185 4.367 4.556 -0.006 0.000 0.323 308 H C 1.408 176.576 175.328 -0.266 0.000 1.117 308 H CA 0.971 56.737 56.048 -0.471 0.000 1.120 308 H CB -1.023 28.373 29.762 -0.610 0.000 1.561 308 H HN 1.159 nan 8.280 nan 0.000 0.409 309 G N -0.713 107.983 108.800 -0.172 0.000 2.166 309 G HA2 -0.316 3.641 3.960 -0.005 0.000 0.260 309 G HA3 -0.316 3.641 3.960 -0.005 0.000 0.260 309 G C 0.268 175.124 174.900 -0.073 0.000 0.986 309 G CA 0.447 45.486 45.100 -0.102 0.000 0.683 309 G HN 0.522 nan 8.290 nan 0.000 0.527 310 V N 0.997 120.845 119.914 -0.111 0.000 2.487 310 V HA 0.472 4.589 4.120 -0.005 0.000 0.298 310 V C -0.031 175.973 176.094 -0.149 0.000 1.028 310 V CA -1.168 61.057 62.300 -0.124 0.000 0.860 310 V CB 1.927 33.610 31.823 -0.233 0.000 0.991 310 V HN 0.257 nan 8.190 nan 0.000 0.427 311 Q N 4.743 124.510 119.800 -0.055 0.000 2.323 311 Q HA 0.458 4.795 4.340 -0.005 0.000 0.257 311 Q C -0.786 175.256 176.000 0.069 0.000 1.022 311 Q CA 0.091 55.892 55.803 -0.004 0.000 0.919 311 Q CB 1.351 30.129 28.738 0.066 0.000 1.220 311 Q HN 0.590 nan 8.270 nan 0.000 0.427 312 L N 1.964 123.185 121.223 -0.004 0.000 2.309 312 L HA 0.476 4.813 4.340 -0.005 0.000 0.282 312 L C 0.386 177.339 176.870 0.139 0.000 1.036 312 L CA -0.613 54.290 54.840 0.105 0.000 0.806 312 L CB 1.263 43.306 42.059 -0.026 0.000 1.220 312 L HN 0.292 nan 8.230 nan 0.000 0.429 313 K N 2.855 123.368 120.400 0.188 0.000 2.130 313 K HA 0.240 4.557 4.320 -0.005 0.000 0.268 313 K C -0.248 176.396 176.600 0.074 0.000 0.983 313 K CA -0.784 55.488 56.287 -0.025 0.000 0.893 313 K CB 1.304 33.536 32.500 -0.446 0.000 1.066 313 K HN 0.424 nan 8.250 nan 0.000 0.450 314 K N 1.956 122.375 120.400 0.032 0.000 2.530 314 K HA -0.118 4.198 4.320 -0.005 0.000 0.280 314 K C 0.547 177.196 176.600 0.081 0.000 1.004 314 K CA 1.665 57.983 56.287 0.051 0.000 1.071 314 K CB -0.044 32.471 32.500 0.027 0.000 0.876 314 K HN 0.886 nan 8.250 nan 0.000 0.487 315 G N 3.224 112.088 108.800 0.107 0.000 2.234 315 G HA2 -0.219 3.737 3.960 -0.005 0.000 0.235 315 G HA3 -0.219 3.737 3.960 -0.005 0.000 0.235 315 G C -0.318 174.705 174.900 0.205 0.000 0.997 315 G CA 0.141 45.319 45.100 0.130 0.000 0.623 315 G HN 0.725 nan 8.290 nan 0.000 0.514 316 D N 1.745 122.318 120.400 0.288 0.000 2.455 316 D HA 0.409 5.046 4.640 -0.005 0.000 0.241 316 D C 0.856 177.406 176.300 0.415 0.000 1.138 316 D CA 0.588 54.867 54.000 0.465 0.000 0.877 316 D CB 0.545 41.788 40.800 0.738 0.000 1.187 316 D HN 0.522 nan 8.370 nan 0.000 0.451 317 Q N 0.934 120.963 119.800 0.383 0.000 2.222 317 Q HA 0.614 4.951 4.340 -0.005 0.000 0.252 317 Q C -0.356 175.853 176.000 0.348 0.000 0.926 317 Q CA -0.614 55.345 55.803 0.261 0.000 0.899 317 Q CB 2.442 31.248 28.738 0.114 0.000 1.250 317 Q HN 0.469 nan 8.270 nan 0.000 0.441 318 I N 2.776 123.497 120.570 0.251 0.000 2.500 318 I HA 0.228 4.395 4.170 -0.005 0.000 0.286 318 I C -1.651 174.495 176.117 0.047 0.000 1.063 318 I CA -1.069 60.382 61.300 0.252 0.000 1.062 318 I CB 1.160 39.309 38.000 0.249 0.000 1.223 318 I HN 0.499 nan 8.210 nan 0.000 0.435 319 L N 8.460 129.710 121.223 0.046 0.000 2.313 319 L HA 0.394 4.731 4.340 -0.005 0.000 0.282 319 L C -1.133 175.721 176.870 -0.027 0.000 1.092 319 L CA 0.331 55.150 54.840 -0.036 0.000 0.831 319 L CB 0.690 42.748 42.059 -0.003 0.000 1.159 319 L HN 0.548 nan 8.230 nan 0.000 0.442 320 L N 7.888 129.057 121.223 -0.089 0.000 2.435 320 L HA 0.382 4.719 4.340 -0.005 0.000 0.253 320 L C -2.119 174.778 176.870 0.044 0.000 1.087 320 L CA -1.756 52.997 54.840 -0.145 0.000 0.950 320 L CB 0.811 42.513 42.059 -0.594 0.000 1.304 320 L HN 0.499 nan 8.230 nan 0.000 0.453 321 P HA 0.005 nan 4.420 nan 0.000 0.257 321 P C 0.337 177.614 177.300 -0.038 0.000 1.227 321 P CA 0.122 63.209 63.100 -0.021 0.000 0.981 321 P CB 0.596 32.312 31.700 0.026 0.000 1.044 322 Q N 2.272 122.058 119.800 -0.024 0.000 2.197 322 Q HA -0.219 4.117 4.340 -0.005 0.000 0.207 322 Q C 1.890 177.809 176.000 -0.135 0.000 0.984 322 Q CA 1.692 57.465 55.803 -0.049 0.000 0.869 322 Q CB -0.538 28.132 28.738 -0.113 0.000 0.906 322 Q HN 0.504 nan 8.270 nan 0.000 0.426 323 M N -0.394 119.065 119.600 -0.235 0.000 2.159 323 M HA -0.181 4.296 4.480 -0.005 0.000 0.263 323 M C 1.445 177.617 176.300 -0.213 0.000 1.063 323 M CA 1.492 56.614 55.300 -0.296 0.000 1.110 323 M CB 0.009 32.307 32.600 -0.503 0.000 1.374 323 M HN 0.290 nan 8.290 nan 0.000 0.411 324 L N -0.493 120.637 121.223 -0.154 0.000 2.217 324 L HA -0.141 4.196 4.340 -0.005 0.000 0.211 324 L C 2.384 179.200 176.870 -0.090 0.000 1.107 324 L CA 0.627 55.407 54.840 -0.100 0.000 0.783 324 L CB -0.559 41.463 42.059 -0.061 0.000 0.919 324 L HN 0.329 nan 8.230 nan 0.000 0.442 325 S N 0.489 116.141 115.700 -0.080 0.000 2.359 325 S HA -0.186 4.281 4.470 -0.005 0.000 0.222 325 S C 1.986 176.548 174.600 -0.063 0.000 1.038 325 S CA 1.592 59.751 58.200 -0.068 0.000 1.051 325 S CB -0.731 62.434 63.200 -0.058 0.000 0.944 325 S HN 0.604 nan 8.310 nan 0.000 0.433 326 G N 0.752 109.517 108.800 -0.057 0.000 2.534 326 G HA2 0.001 3.957 3.960 -0.005 0.000 0.217 326 G HA3 0.001 3.957 3.960 -0.005 0.000 0.217 326 G C 1.132 175.980 174.900 -0.087 0.000 1.128 326 G CA 0.274 45.345 45.100 -0.049 0.000 0.784 326 G HN 0.453 nan 8.290 nan 0.000 0.542 327 L N 0.149 121.309 121.223 -0.106 0.000 2.567 327 L HA 0.180 4.517 4.340 -0.005 0.000 0.225 327 L C 0.562 177.383 176.870 -0.082 0.000 1.119 327 L CA -0.301 54.473 54.840 -0.110 0.000 0.871 327 L CB 0.073 42.060 42.059 -0.120 0.000 1.036 327 L HN 0.001 nan 8.230 nan 0.000 0.459 328 D N 1.737 122.091 120.400 -0.075 0.000 2.382 328 D HA -0.082 4.555 4.640 -0.005 0.000 0.259 328 D C 1.342 177.608 176.300 -0.056 0.000 1.224 328 D CA 0.073 54.032 54.000 -0.068 0.000 0.894 328 D CB 1.024 41.781 40.800 -0.071 0.000 1.127 328 D HN 0.344 nan 8.370 nan 0.000 0.487 329 E N 3.749 123.918 120.200 -0.052 0.000 2.333 329 E HA -0.204 4.143 4.350 -0.005 0.000 0.198 329 E C 0.788 177.366 176.600 -0.037 0.000 1.007 329 E CA 0.681 57.057 56.400 -0.041 0.000 0.845 329 E CB 0.005 29.683 29.700 -0.037 0.000 0.766 329 E HN 0.438 nan 8.360 nan 0.000 0.507 330 R N 0.201 120.675 120.500 -0.043 0.000 2.313 330 R HA 0.106 4.443 4.340 -0.005 0.000 0.199 330 R C 1.294 177.572 176.300 -0.037 0.000 0.958 330 R CA 0.477 56.553 56.100 -0.040 0.000 1.047 330 R CB 0.230 30.502 30.300 -0.047 0.000 0.955 330 R HN 0.327 nan 8.270 nan 0.000 0.481 331 E N -0.399 119.778 120.200 -0.038 0.000 2.406 331 E HA 0.141 4.488 4.350 -0.005 0.000 0.204 331 E C -0.197 176.389 176.600 -0.024 0.000 0.820 331 E CA 0.140 56.520 56.400 -0.033 0.000 1.136 331 E CB 0.722 30.398 29.700 -0.041 0.000 1.129 331 E HN 0.163 nan 8.360 nan 0.000 0.530 332 N N 0.817 119.502 118.700 -0.026 0.000 2.430 332 N HA 0.345 5.082 4.740 -0.005 0.000 0.290 332 N C -1.001 174.499 175.510 -0.016 0.000 1.063 332 N CA -0.164 52.876 53.050 -0.017 0.000 0.883 332 N CB 2.168 40.643 38.487 -0.020 0.000 1.465 332 N HN -0.003 nan 8.380 nan 0.000 0.493 333 A N 1.479 124.295 122.820 -0.006 0.000 2.445 333 A HA 0.496 4.813 4.320 -0.005 0.000 0.242 333 A C 0.990 178.577 177.584 0.005 0.000 1.075 333 A CA 0.428 52.462 52.037 -0.004 0.000 0.777 333 A CB -0.135 18.865 19.000 -0.000 0.000 1.013 333 A HN 1.191 nan 8.150 nan 0.000 0.493 334 A N 2.255 125.076 122.820 0.001 0.000 2.415 334 A HA -0.105 4.212 4.320 -0.005 0.000 0.292 334 A C -0.480 177.116 177.584 0.020 0.000 1.452 334 A CA 0.705 52.752 52.037 0.017 0.000 0.750 334 A CB -1.559 17.462 19.000 0.035 0.000 1.099 334 A HN 0.792 nan 8.150 nan 0.000 0.391 335 P HA -0.215 nan 4.420 nan 0.000 0.216 335 P C 1.280 178.524 177.300 -0.093 0.000 1.150 335 P CA 1.489 64.556 63.100 -0.056 0.000 0.843 335 P CB -0.097 31.564 31.700 -0.064 0.000 0.787 336 M N -1.672 117.891 119.600 -0.062 0.000 2.619 336 M HA 0.032 4.509 4.480 -0.005 0.000 0.251 336 M C 0.805 177.067 176.300 -0.064 0.000 1.106 336 M CA 0.356 55.602 55.300 -0.090 0.000 1.086 336 M CB -1.819 30.757 32.600 -0.040 0.000 1.465 336 M HN 0.048 nan 8.290 nan 0.000 0.506 337 H N 0.300 119.306 119.070 -0.107 0.000 2.527 337 H HA 0.419 4.971 4.556 -0.006 0.000 0.321 337 H C -1.013 174.237 175.328 -0.130 0.000 1.087 337 H CA -0.433 55.567 56.048 -0.081 0.000 1.337 337 H CB 0.955 30.697 29.762 -0.033 0.000 1.440 337 H HN -0.180 nan 8.280 nan 0.000 0.490 338 V N 5.595 125.058 119.914 -0.752 0.000 2.432 338 V HA 0.142 4.259 4.120 -0.005 0.000 0.271 338 V C -0.160 175.542 176.094 -0.652 0.000 1.046 338 V CA -0.119 61.774 62.300 -0.678 0.000 0.945 338 V CB 0.961 32.253 31.823 -0.886 0.000 0.992 338 V HN 0.843 nan 8.190 nan 0.000 0.471 339 D N 4.186 124.382 120.400 -0.341 0.000 2.402 339 D HA 0.320 4.957 4.640 -0.005 0.000 0.252 339 D C 0.395 176.711 176.300 0.027 0.000 1.294 339 D CA -0.541 53.372 54.000 -0.145 0.000 0.948 339 D CB 0.902 41.710 40.800 0.014 0.000 1.202 339 D HN 0.214 nan 8.370 nan 0.000 0.561 340 F N 1.286 121.289 119.950 0.089 0.000 2.494 340 F HA -0.034 4.489 4.527 -0.005 0.000 0.298 340 F C 2.112 177.948 175.800 0.059 0.000 1.106 340 F CA 0.543 58.592 58.000 0.080 0.000 1.452 340 F CB -0.443 38.622 39.000 0.107 0.000 1.085 340 F HN 0.271 nan 8.300 nan 0.000 0.569 341 S N -1.042 114.781 115.700 0.206 0.000 2.557 341 S HA 0.085 4.552 4.470 -0.005 0.000 0.223 341 S C 0.829 175.491 174.600 0.102 0.000 0.969 341 S CA -0.553 57.728 58.200 0.136 0.000 0.927 341 S CB -0.193 63.069 63.200 0.103 0.000 0.806 341 S HN 0.175 nan 8.310 nan 0.000 0.489 342 R N 2.277 122.839 120.500 0.103 0.000 2.504 342 R HA -0.023 4.314 4.340 -0.005 0.000 0.291 342 R C 1.186 177.527 176.300 0.069 0.000 0.974 342 R CA 0.219 56.365 56.100 0.076 0.000 1.077 342 R CB 0.286 30.627 30.300 0.068 0.000 0.926 342 R HN 0.215 nan 8.270 nan 0.000 0.407 343 Q N 3.349 123.181 119.800 0.054 0.000 2.045 343 Q HA -0.175 4.162 4.340 -0.005 0.000 0.206 343 Q C -0.133 175.892 176.000 0.042 0.000 0.991 343 Q CA 1.871 57.701 55.803 0.045 0.000 0.851 343 Q CB -0.012 28.746 28.738 0.035 0.000 0.911 343 Q HN 0.590 nan 8.270 nan 0.000 0.418 344 K N 0.222 120.644 120.400 0.037 0.000 2.604 344 K HA 0.447 4.763 4.320 -0.005 0.000 0.247 344 K C -1.021 175.599 176.600 0.034 0.000 0.956 344 K CA -0.391 55.915 56.287 0.031 0.000 0.896 344 K CB 2.025 34.536 32.500 0.019 0.000 1.131 344 K HN -0.244 nan 8.250 nan 0.000 0.440 345 V N 2.321 122.265 119.914 0.051 0.000 2.370 345 V HA 0.037 4.154 4.120 -0.005 0.000 0.257 345 V C 0.346 176.469 176.094 0.049 0.000 1.064 345 V CA -0.131 62.215 62.300 0.076 0.000 0.975 345 V CB 0.594 32.495 31.823 0.130 0.000 1.067 345 V HN 0.821 nan 8.190 nan 0.000 0.485 346 S N 5.459 121.172 115.700 0.021 0.000 2.457 346 S HA 0.678 5.145 4.470 -0.005 0.000 0.289 346 S C -0.511 174.096 174.600 0.011 0.000 1.163 346 S CA -0.426 57.753 58.200 -0.035 0.000 1.078 346 S CB 0.191 63.373 63.200 -0.029 0.000 0.987 346 S HN 1.089 nan 8.310 nan 0.000 0.482 347 H N 0.209 119.255 119.070 -0.040 0.000 2.932 347 H HA 0.553 5.105 4.556 -0.006 0.000 0.307 347 H C -0.572 174.721 175.328 -0.058 0.000 1.391 347 H CA -0.333 55.670 56.048 -0.074 0.000 1.130 347 H CB 0.837 30.533 29.762 -0.110 0.000 1.836 347 H HN 0.334 nan 8.280 nan 0.000 0.522 348 T N -2.385 112.267 114.554 0.163 0.000 3.633 348 T HA 0.196 4.543 4.350 -0.005 0.000 0.278 348 T C 0.223 174.948 174.700 0.041 0.000 0.991 348 T CA 0.091 62.252 62.100 0.103 0.000 1.036 348 T CB -0.493 68.385 68.868 0.017 0.000 1.148 348 T HN 0.619 nan 8.240 nan 0.000 0.501 349 T N 1.080 115.663 114.554 0.048 0.000 2.867 349 T HA 0.078 4.425 4.350 -0.005 0.000 0.268 349 T C 0.468 174.909 174.700 -0.431 0.000 1.057 349 T CA 1.094 62.966 62.100 -0.380 0.000 1.136 349 T CB -0.346 68.025 68.868 -0.829 0.000 0.874 349 T HN 0.490 nan 8.240 nan 0.000 0.466 350 F N 1.292 121.233 119.950 -0.015 0.000 2.645 350 F HA 0.488 5.011 4.527 -0.005 0.000 0.300 350 F C 1.594 177.353 175.800 -0.070 0.000 1.115 350 F CA -0.435 57.529 58.000 -0.060 0.000 1.355 350 F CB -0.526 38.439 39.000 -0.059 0.000 1.026 350 F HN 0.284 nan 8.300 nan 0.000 0.536 351 G N -0.029 108.782 108.800 0.018 0.000 2.660 351 G HA2 -0.076 3.881 3.960 -0.005 0.000 0.247 351 G HA3 -0.076 3.881 3.960 -0.005 0.000 0.247 351 G C -1.509 173.373 174.900 -0.031 0.000 1.328 351 G CA -0.746 44.281 45.100 -0.121 0.000 0.884 351 G HN 0.496 nan 8.290 nan 0.000 0.531 352 H N -0.997 117.901 119.070 -0.286 0.000 3.046 352 H HA 0.688 5.241 4.556 -0.005 0.000 0.363 352 H C 0.591 175.916 175.328 -0.004 0.000 1.203 352 H CA 1.831 57.823 56.048 -0.093 0.000 1.169 352 H CB 1.397 31.159 29.762 -0.001 0.000 1.851 352 H HN 2.612 nan 8.280 nan 0.000 0.546 353 G N 1.022 109.608 108.800 -0.358 0.000 2.484 353 G HA2 -0.256 3.701 3.960 -0.005 0.000 0.225 353 G HA3 -0.256 3.701 3.960 -0.005 0.000 0.225 353 G C 0.962 175.847 174.900 -0.025 0.000 1.250 353 G CA 0.463 45.518 45.100 -0.076 0.000 0.926 353 G HN 1.313 nan 8.290 nan 0.000 0.581 354 S N -0.786 114.942 115.700 0.047 0.000 2.561 354 S HA 0.079 4.546 4.470 -0.005 0.000 0.225 354 S C 1.167 175.649 174.600 -0.198 0.000 0.977 354 S CA 1.545 59.692 58.200 -0.088 0.000 0.926 354 S CB -0.158 62.939 63.200 -0.173 0.000 0.769 354 S HN 0.716 nan 8.310 nan 0.000 0.533 355 H N 0.606 119.680 119.070 0.006 0.000 2.487 355 H HA 0.347 4.899 4.556 -0.006 0.000 0.290 355 H C -0.240 175.078 175.328 -0.016 0.000 1.081 355 H CA -0.677 55.378 56.048 0.012 0.000 1.116 355 H CB 0.052 29.840 29.762 0.043 0.000 1.560 355 H HN 0.264 nan 8.280 nan 0.000 0.548 356 L N 1.585 122.826 121.223 0.030 0.000 2.615 356 L HA -0.134 4.203 4.340 -0.005 0.000 0.284 356 L C 0.884 177.756 176.870 0.004 0.000 1.237 356 L CA 0.283 55.127 54.840 0.006 0.000 0.905 356 L CB -0.337 41.706 42.059 -0.028 0.000 1.149 356 L HN 0.403 nan 8.230 nan 0.000 0.499 357 C N 6.038 125.347 119.300 0.015 0.000 2.409 357 C HA -0.021 4.436 4.460 -0.005 0.000 0.398 357 C C 2.030 176.929 174.990 -0.153 0.000 1.507 357 C CA -0.421 58.579 59.018 -0.029 0.000 1.460 357 C CB -1.338 26.418 27.740 0.026 0.000 2.472 357 C HN 0.769 nan 8.230 nan 0.000 0.614 358 L N 5.106 126.281 121.223 -0.080 0.000 2.376 358 L HA 0.094 4.431 4.340 -0.005 0.000 0.219 358 L C 2.384 179.176 176.870 -0.129 0.000 1.133 358 L CA 1.394 56.185 54.840 -0.082 0.000 0.816 358 L CB -0.399 41.657 42.059 -0.006 0.000 0.933 358 L HN 0.949 nan 8.230 nan 0.000 0.449 359 G N -0.700 108.006 108.800 -0.157 0.000 3.189 359 G HA2 -0.026 3.930 3.960 -0.005 0.000 0.225 359 G HA3 -0.026 3.930 3.960 -0.005 0.000 0.225 359 G C 1.365 176.061 174.900 -0.341 0.000 1.159 359 G CA -0.009 44.997 45.100 -0.157 0.000 0.763 359 G HN 0.498 nan 8.290 nan 0.000 0.549 360 Q N 0.039 119.432 119.800 -0.679 0.000 2.096 360 Q HA -0.229 4.108 4.340 -0.005 0.000 0.204 360 Q C 1.792 177.343 176.000 -0.749 0.000 0.982 360 Q CA 1.493 56.534 55.803 -1.271 0.000 0.850 360 Q CB -0.605 27.091 28.738 -1.737 0.000 0.901 360 Q HN 0.464 nan 8.270 nan 0.000 0.422 361 H N 0.396 119.283 119.070 -0.304 0.000 2.389 361 H HA -0.055 4.498 4.556 -0.005 0.000 0.299 361 H C 2.183 177.454 175.328 -0.094 0.000 1.081 361 H CA 1.385 57.339 56.048 -0.157 0.000 1.345 361 H CB -0.188 29.512 29.762 -0.103 0.000 1.393 361 H HN 0.284 nan 8.280 nan 0.000 0.520 362 L N 1.159 122.385 121.223 0.005 0.000 2.093 362 L HA 0.020 4.356 4.340 -0.005 0.000 0.208 362 L C 2.492 179.365 176.870 0.005 0.000 1.085 362 L CA 1.619 56.466 54.840 0.013 0.000 0.755 362 L CB -0.807 41.257 42.059 0.008 0.000 0.904 362 L HN 0.155 nan 8.230 nan 0.000 0.435 363 A N -0.186 122.608 122.820 -0.042 0.000 1.858 363 A HA -0.212 4.104 4.320 -0.005 0.000 0.216 363 A C 2.437 180.074 177.584 0.089 0.000 1.190 363 A CA 1.790 53.839 52.037 0.020 0.000 0.617 363 A CB -0.594 18.419 19.000 0.022 0.000 0.827 363 A HN 0.475 nan 8.150 nan 0.000 0.443 364 R N -1.160 119.377 120.500 0.062 0.000 2.083 364 R HA -0.186 4.151 4.340 -0.005 0.000 0.237 364 R C 2.478 178.861 176.300 0.139 0.000 1.137 364 R CA 1.764 57.937 56.100 0.123 0.000 0.951 364 R CB -0.336 30.029 30.300 0.108 0.000 0.851 364 R HN 0.474 nan 8.270 nan 0.000 0.434 365 R N 1.559 122.130 120.500 0.118 0.000 2.083 365 R HA -0.151 4.186 4.340 -0.005 0.000 0.237 365 R C 1.786 178.206 176.300 0.199 0.000 1.137 365 R CA 1.918 58.098 56.100 0.134 0.000 0.951 365 R CB -0.310 30.052 30.300 0.103 0.000 0.851 365 R HN 0.306 nan 8.270 nan 0.000 0.434 366 E N -0.381 119.945 120.200 0.209 0.000 2.110 366 E HA -0.171 4.176 4.350 -0.005 0.000 0.193 366 E C 2.033 178.919 176.600 0.476 0.000 0.988 366 E CA 1.588 58.204 56.400 0.360 0.000 0.804 366 E CB -0.170 29.618 29.700 0.146 0.000 0.745 366 E HN 0.404 nan 8.360 nan 0.000 0.458 367 I N 0.778 121.553 120.570 0.342 0.000 2.252 367 I HA -0.241 3.925 4.170 -0.005 0.000 0.245 367 I C 2.326 178.597 176.117 0.256 0.000 1.102 367 I CA 0.942 62.448 61.300 0.345 0.000 1.385 367 I CB -0.155 38.055 38.000 0.349 0.000 1.064 367 I HN 0.088 nan 8.210 nan 0.000 0.414 368 I N 0.003 120.697 120.570 0.206 0.000 2.252 368 I HA -0.232 3.935 4.170 -0.005 0.000 0.245 368 I C 2.526 178.726 176.117 0.139 0.000 1.102 368 I CA 1.093 62.479 61.300 0.144 0.000 1.385 368 I CB -0.297 37.774 38.000 0.119 0.000 1.064 368 I HN 0.017 nan 8.210 nan 0.000 0.414 369 V N 0.660 120.681 119.914 0.178 0.000 2.407 369 V HA -0.277 3.840 4.120 -0.005 0.000 0.248 369 V C 2.486 178.648 176.094 0.115 0.000 1.055 369 V CA 2.385 64.780 62.300 0.157 0.000 1.049 369 V CB -0.875 31.087 31.823 0.232 0.000 0.662 369 V HN 0.484 nan 8.190 nan 0.000 0.455 370 T N 0.426 115.068 114.554 0.147 0.000 2.643 370 T HA -0.135 4.212 4.350 -0.005 0.000 0.264 370 T C 1.907 176.655 174.700 0.080 0.000 1.045 370 T CA 1.649 63.803 62.100 0.091 0.000 1.155 370 T CB -0.349 68.647 68.868 0.214 0.000 0.863 370 T HN 0.281 nan 8.240 nan 0.000 0.420 371 L N 0.492 121.768 121.223 0.088 0.000 1.997 371 L HA -0.244 4.092 4.340 -0.005 0.000 0.216 371 L C 2.672 179.591 176.870 0.083 0.000 1.074 371 L CA 1.708 56.587 54.840 0.065 0.000 0.763 371 L CB -0.539 41.547 42.059 0.046 0.000 0.890 371 L HN 0.244 nan 8.230 nan 0.000 0.434 372 K N -0.313 120.128 120.400 0.070 0.000 1.965 372 K HA -0.191 4.126 4.320 -0.005 0.000 0.218 372 K C 2.066 178.698 176.600 0.053 0.000 1.048 372 K CA 1.675 57.995 56.287 0.057 0.000 0.960 372 K CB -0.180 32.350 32.500 0.050 0.000 0.732 372 K HN 0.185 nan 8.250 nan 0.000 0.444 373 E N 0.074 120.299 120.200 0.041 0.000 2.171 373 E HA -0.246 4.101 4.350 -0.005 0.000 0.197 373 E C 1.685 178.272 176.600 -0.021 0.000 0.997 373 E CA 0.926 57.327 56.400 0.002 0.000 0.810 373 E CB -0.250 29.444 29.700 -0.009 0.000 0.738 373 E HN 0.526 nan 8.360 nan 0.000 0.467 374 W N 1.196 122.389 121.300 -0.178 0.000 2.444 374 W HA -0.037 4.620 4.660 -0.005 0.000 0.308 374 W C 1.899 178.320 176.519 -0.163 0.000 1.183 374 W CA 0.726 57.920 57.345 -0.251 0.000 1.340 374 W CB -0.410 28.845 29.460 -0.343 0.000 1.138 374 W HN 0.018 nan 8.180 nan 0.000 0.510 375 L N 0.305 121.680 121.223 0.253 0.000 2.191 375 L HA -0.201 4.135 4.340 -0.005 0.000 0.212 375 L C 2.409 179.307 176.870 0.047 0.000 1.103 375 L CA 1.493 56.449 54.840 0.195 0.000 0.769 375 L CB -1.113 41.044 42.059 0.164 0.000 0.908 375 L HN -0.124 nan 8.230 nan 0.000 0.438 376 T N -0.651 113.904 114.554 0.001 0.000 2.904 376 T HA -0.086 4.261 4.350 -0.005 0.000 0.267 376 T C 2.000 176.645 174.700 -0.090 0.000 1.059 376 T CA 1.218 63.298 62.100 -0.034 0.000 1.137 376 T CB 0.073 68.924 68.868 -0.029 0.000 0.879 376 T HN 0.345 nan 8.240 nan 0.000 0.467 377 R N -0.307 120.085 120.500 -0.180 0.000 2.221 377 R HA 0.367 4.703 4.340 -0.005 0.000 0.195 377 R C 0.419 176.509 176.300 -0.350 0.000 0.956 377 R CA 0.488 56.434 56.100 -0.256 0.000 1.064 377 R CB 0.699 30.804 30.300 -0.326 0.000 1.049 377 R HN 0.288 nan 8.270 nan 0.000 0.534 378 I N 2.687 122.984 120.570 -0.456 0.000 2.862 378 I HA 0.184 4.351 4.170 -0.005 0.000 0.285 378 I C -1.938 174.182 176.117 0.005 0.000 1.339 378 I CA -1.559 59.460 61.300 -0.469 0.000 1.002 378 I CB 1.882 39.185 38.000 -1.161 0.000 1.618 378 I HN -0.137 nan 8.210 nan 0.000 0.593 379 P HA -0.099 nan 4.420 nan 0.000 0.220 379 P C 0.206 177.544 177.300 0.064 0.000 1.148 379 P CA 1.276 64.437 63.100 0.101 0.000 0.803 379 P CB 0.447 32.165 31.700 0.029 0.000 0.782 380 D N -0.110 120.336 120.400 0.077 0.000 2.408 380 D HA 0.446 5.082 4.640 -0.005 0.000 0.243 380 D C -0.976 175.437 176.300 0.188 0.000 1.075 380 D CA -0.767 53.238 54.000 0.007 0.000 0.832 380 D CB 0.740 41.557 40.800 0.028 0.000 1.162 380 D HN -0.051 nan 8.370 nan 0.000 0.515 381 F N 0.224 120.236 119.950 0.103 0.000 2.703 381 F HA 0.693 5.217 4.527 -0.006 0.000 0.308 381 F C -1.203 174.673 175.800 0.127 0.000 1.126 381 F CA -0.891 57.229 58.000 0.200 0.000 0.959 381 F CB 0.853 40.001 39.000 0.247 0.000 1.297 381 F HN 0.069 nan 8.300 nan 0.000 0.441 382 S N 1.409 117.316 115.700 0.344 0.000 2.704 382 S HA 0.704 5.171 4.470 -0.005 0.000 0.296 382 S C -0.707 174.027 174.600 0.224 0.000 1.138 382 S CA -0.955 57.349 58.200 0.173 0.000 0.875 382 S CB 1.939 65.191 63.200 0.087 0.000 1.151 382 S HN 0.661 nan 8.310 nan 0.000 0.500 383 I N 1.902 122.546 120.570 0.124 0.000 2.575 383 I HA 0.294 4.460 4.170 -0.005 0.000 0.285 383 I C 0.835 177.004 176.117 0.087 0.000 1.085 383 I CA -0.574 60.789 61.300 0.106 0.000 1.403 383 I CB 0.712 38.746 38.000 0.057 0.000 1.409 383 I HN 0.759 nan 8.210 nan 0.000 0.557 384 A N 8.991 131.861 122.820 0.082 0.000 2.584 384 A HA 0.120 4.437 4.320 -0.005 0.000 0.239 384 A C -2.023 175.584 177.584 0.039 0.000 1.043 384 A CA -0.762 51.307 52.037 0.054 0.000 0.756 384 A CB -0.852 18.174 19.000 0.042 0.000 0.963 384 A HN 0.484 nan 8.150 nan 0.000 0.511 385 P HA 0.097 nan 4.420 nan 0.000 0.261 385 P C 0.990 178.300 177.300 0.017 0.000 1.183 385 P CA 1.477 64.590 63.100 0.021 0.000 0.761 385 P CB 0.550 32.260 31.700 0.016 0.000 0.785 386 G N 2.442 111.252 108.800 0.016 0.000 2.212 386 G HA2 -0.270 3.687 3.960 -0.005 0.000 0.266 386 G HA3 -0.270 3.687 3.960 -0.005 0.000 0.266 386 G C 0.452 175.362 174.900 0.016 0.000 0.978 386 G CA 0.159 45.268 45.100 0.014 0.000 0.632 386 G HN 0.911 nan 8.290 nan 0.000 0.537 387 A N 0.635 123.468 122.820 0.021 0.000 2.522 387 A HA 0.509 4.825 4.320 -0.005 0.000 0.256 387 A C 0.653 178.251 177.584 0.022 0.000 1.086 387 A CA 0.510 52.561 52.037 0.025 0.000 0.763 387 A CB 0.231 19.251 19.000 0.034 0.000 1.024 387 A HN 0.353 nan 8.150 nan 0.000 0.502 388 Q N 2.795 122.606 119.800 0.020 0.000 2.441 388 Q HA 0.217 4.554 4.340 -0.005 0.000 0.234 388 Q C -0.161 175.849 176.000 0.018 0.000 1.078 388 Q CA -0.210 55.602 55.803 0.014 0.000 0.907 388 Q CB 0.597 29.342 28.738 0.011 0.000 1.269 388 Q HN 0.599 nan 8.270 nan 0.000 0.502 389 I N 2.184 122.763 120.570 0.015 0.000 2.533 389 I HA 0.028 4.195 4.170 -0.005 0.000 0.284 389 I C 0.696 176.818 176.117 0.008 0.000 1.109 389 I CA 0.327 61.646 61.300 0.032 0.000 1.412 389 I CB 0.094 38.127 38.000 0.055 0.000 1.396 389 I HN 0.354 nan 8.210 nan 0.000 0.543 390 Q N 5.805 125.647 119.800 0.069 0.000 2.307 390 Q HA 0.360 4.696 4.340 -0.005 0.000 0.262 390 Q C -0.699 175.444 176.000 0.238 0.000 0.961 390 Q CA -0.472 55.383 55.803 0.088 0.000 0.882 390 Q CB 1.677 30.460 28.738 0.076 0.000 1.264 390 Q HN 0.599 nan 8.270 nan 0.000 0.446 391 H N 1.027 120.160 119.070 0.106 0.000 2.508 391 H HA 0.457 5.010 4.556 -0.006 0.000 0.344 391 H C -0.407 175.009 175.328 0.147 0.000 1.192 391 H CA -0.861 55.276 56.048 0.149 0.000 1.290 391 H CB 1.545 31.472 29.762 0.275 0.000 1.571 391 H HN 0.123 nan 8.280 nan 0.000 0.555 392 K N 1.116 121.688 120.400 0.287 0.000 2.371 392 K HA 0.295 4.612 4.320 -0.005 0.000 0.251 392 K C -1.067 175.691 176.600 0.262 0.000 0.934 392 K CA -0.475 55.945 56.287 0.222 0.000 0.798 392 K CB 2.662 35.255 32.500 0.156 0.000 1.204 392 K HN 0.501 nan 8.250 nan 0.000 0.427 393 S N 0.705 116.561 115.700 0.260 0.000 2.578 393 S HA 0.902 5.369 4.470 -0.005 0.000 0.301 393 S C -0.340 174.416 174.600 0.259 0.000 1.091 393 S CA -0.012 58.374 58.200 0.310 0.000 1.032 393 S CB 1.380 64.794 63.200 0.357 0.000 1.064 393 S HN 0.873 nan 8.310 nan 0.000 0.508 394 G N 2.419 111.338 108.800 0.200 0.000 2.356 394 G HA2 0.213 4.170 3.960 -0.005 0.000 0.281 394 G HA3 0.213 4.170 3.960 -0.005 0.000 0.281 394 G C 0.192 175.046 174.900 -0.077 0.000 1.246 394 G CA -0.421 44.701 45.100 0.037 0.000 0.889 394 G HN 0.536 nan 8.290 nan 0.000 0.486 395 I N -0.043 120.442 120.570 -0.142 0.000 2.264 395 I HA -0.010 4.157 4.170 -0.005 0.000 0.248 395 I C 0.870 176.869 176.117 -0.197 0.000 1.111 395 I CA 1.547 62.647 61.300 -0.334 0.000 1.382 395 I CB -0.804 36.826 38.000 -0.617 0.000 1.060 395 I HN 0.061 nan 8.210 nan 0.000 0.418 396 V N 0.641 120.526 119.914 -0.049 0.000 2.482 396 V HA 0.284 4.400 4.120 -0.005 0.000 0.295 396 V C 0.132 176.264 176.094 0.064 0.000 1.026 396 V CA -0.631 61.668 62.300 -0.002 0.000 0.856 396 V CB 1.734 33.596 31.823 0.065 0.000 1.001 396 V HN 0.062 nan 8.190 nan 0.000 0.424 397 S N 2.466 118.203 115.700 0.061 0.000 2.617 397 S HA 0.860 5.327 4.470 -0.005 0.000 0.269 397 S C 0.484 175.264 174.600 0.300 0.000 1.292 397 S CA 0.154 58.463 58.200 0.183 0.000 1.010 397 S CB 1.672 64.960 63.200 0.147 0.000 0.944 397 S HN 1.165 nan 8.310 nan 0.000 0.536 398 G N -0.340 108.614 108.800 0.257 0.000 2.663 398 G HA2 0.565 4.522 3.960 -0.005 0.000 0.299 398 G HA3 0.565 4.522 3.960 -0.005 0.000 0.299 398 G C -1.819 172.924 174.900 -0.262 0.000 1.372 398 G CA -0.514 44.575 45.100 -0.019 0.000 0.781 398 G HN 0.615 nan 8.290 nan 0.000 0.491 399 V N 0.616 120.256 119.914 -0.457 0.000 2.417 399 V HA 0.324 4.440 4.120 -0.005 0.000 0.291 399 V C 1.241 177.279 176.094 -0.093 0.000 1.024 399 V CA -0.286 61.822 62.300 -0.320 0.000 0.861 399 V CB 1.363 32.894 31.823 -0.487 0.000 0.985 399 V HN 0.951 nan 8.190 nan 0.000 0.436 400 Q N 3.387 123.195 119.800 0.014 0.000 2.046 400 Q HA 0.129 4.466 4.340 -0.005 0.000 0.200 400 Q C 0.611 176.627 176.000 0.027 0.000 0.975 400 Q CA 1.596 57.419 55.803 0.033 0.000 0.836 400 Q CB 0.274 29.048 28.738 0.061 0.000 0.896 400 Q HN 0.956 nan 8.270 nan 0.000 0.428 401 A N -0.290 122.552 122.820 0.037 0.000 2.594 401 A HA 0.533 4.849 4.320 -0.005 0.000 0.296 401 A C -1.840 175.781 177.584 0.061 0.000 1.061 401 A CA -0.646 51.420 52.037 0.048 0.000 0.689 401 A CB 1.381 20.410 19.000 0.050 0.000 1.280 401 A HN 0.235 nan 8.150 nan 0.000 0.406 402 L N 3.364 124.641 121.223 0.090 0.000 2.490 402 L HA 0.407 4.744 4.340 -0.005 0.000 0.256 402 L C -2.622 174.328 176.870 0.132 0.000 1.089 402 L CA -1.817 53.082 54.840 0.099 0.000 0.916 402 L CB 2.360 44.481 42.059 0.102 0.000 1.188 402 L HN 0.524 nan 8.230 nan 0.000 0.476 403 P HA 0.251 nan 4.420 nan 0.000 0.282 403 P C -1.126 176.255 177.300 0.134 0.000 1.274 403 P CA -0.157 63.009 63.100 0.110 0.000 0.770 403 P CB 1.356 33.099 31.700 0.070 0.000 0.867 404 L N 4.071 125.412 121.223 0.197 0.000 2.346 404 L HA 0.670 5.007 4.340 -0.005 0.000 0.274 404 L C 0.536 177.559 176.870 0.255 0.000 1.007 404 L CA -1.218 53.796 54.840 0.291 0.000 0.818 404 L CB 2.223 44.522 42.059 0.401 0.000 1.284 404 L HN 0.221 nan 8.230 nan 0.000 0.424 405 V N -0.783 119.299 119.914 0.280 0.000 3.001 405 V HA 0.860 4.976 4.120 -0.005 0.000 0.314 405 V C -1.552 174.765 176.094 0.372 0.000 1.099 405 V CA -0.573 61.772 62.300 0.075 0.000 0.989 405 V CB 1.918 33.748 31.823 0.013 0.000 1.040 405 V HN 0.980 nan 8.190 nan 0.000 0.434 406 W N 0.589 121.954 121.300 0.109 0.000 3.173 406 W HA 0.660 5.317 4.660 -0.006 0.000 0.313 406 W C -1.867 174.687 176.519 0.059 0.000 1.228 406 W CA -0.690 56.720 57.345 0.109 0.000 1.185 406 W CB 0.669 30.224 29.460 0.159 0.000 1.390 406 W HN 0.715 nan 8.180 nan 0.000 0.568 407 D N 2.579 123.159 120.400 0.300 0.000 2.316 407 D HA 0.354 4.990 4.640 -0.005 0.000 0.245 407 D C -1.479 174.985 176.300 0.273 0.000 1.171 407 D CA -2.339 51.764 54.000 0.172 0.000 0.856 407 D CB 1.964 42.836 40.800 0.120 0.000 1.090 407 D HN 0.093 nan 8.370 nan 0.000 0.476 408 P HA -0.114 nan 4.420 nan 0.000 0.218 408 P C 0.946 178.326 177.300 0.132 0.000 1.148 408 P CA 1.344 64.575 63.100 0.219 0.000 0.822 408 P CB 0.192 31.960 31.700 0.115 0.000 0.784 409 A N -0.418 122.457 122.820 0.093 0.000 2.024 409 A HA -0.182 4.134 4.320 -0.005 0.000 0.220 409 A C 2.064 179.682 177.584 0.057 0.000 1.164 409 A CA 2.275 54.348 52.037 0.060 0.000 0.643 409 A CB -1.822 17.205 19.000 0.045 0.000 0.806 409 A HN 0.360 nan 8.150 nan 0.000 0.451 410 T N -2.456 112.146 114.554 0.080 0.000 3.129 410 T HA 0.154 4.501 4.350 -0.005 0.000 0.251 410 T C 0.857 175.577 174.700 0.032 0.000 1.117 410 T CA 0.749 62.884 62.100 0.058 0.000 1.034 410 T CB -0.887 68.026 68.868 0.075 0.000 0.968 410 T HN 0.564 nan 8.240 nan 0.000 0.526 411 T N 0.300 114.873 114.554 0.032 0.000 2.881 411 T HA 0.638 4.985 4.350 -0.005 0.000 0.278 411 T C -0.734 173.946 174.700 -0.033 0.000 0.982 411 T CA -0.994 61.086 62.100 -0.033 0.000 0.989 411 T CB 1.469 70.307 68.868 -0.051 0.000 1.058 411 T HN 0.570 nan 8.240 nan 0.000 0.529 412 K N -0.202 120.158 120.400 -0.066 0.000 2.553 412 K HA 0.738 5.055 4.320 -0.005 0.000 0.250 412 K C -0.830 175.730 176.600 -0.066 0.000 0.953 412 K CA -1.023 55.234 56.287 -0.049 0.000 0.800 412 K CB 1.738 34.215 32.500 -0.038 0.000 1.243 412 K HN 0.771 nan 8.250 nan 0.000 0.435 413 A N 2.485 125.277 122.820 -0.047 0.000 2.304 413 A HA 0.659 4.976 4.320 -0.005 0.000 0.271 413 A C -0.257 177.303 177.584 -0.040 0.000 1.091 413 A CA -0.560 51.449 52.037 -0.048 0.000 0.812 413 A CB 0.690 19.671 19.000 -0.031 0.000 1.056 413 A HN 0.490 nan 8.150 nan 0.000 0.489 414 V N 0.000 119.891 119.914 -0.039 0.000 2.409 414 V HA 0.000 4.117 4.120 -0.005 0.000 0.244 414 V CA 0.000 62.283 62.300 -0.028 0.000 1.235 414 V CB 0.000 31.804 31.823 -0.031 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556