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 2qbl_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP REAGEAYDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLVTG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENACPMHVD 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 0.000 175.495 175.510 -0.025 0.000 1.280 10 N CA 0.000 53.036 53.050 -0.023 0.000 0.885 10 N CB 0.000 38.478 38.487 -0.014 0.000 1.341 11 L N 1.735 122.945 121.223 -0.022 0.000 2.296 11 L HA 0.634 4.968 4.340 -0.011 0.000 0.286 11 L C 0.625 177.499 176.870 0.007 0.000 1.023 11 L CA -0.609 54.220 54.840 -0.018 0.000 0.812 11 L CB 0.339 42.383 42.059 -0.026 0.000 1.223 11 L HN 0.684 nan 8.230 nan 0.000 0.421 12 A N 5.746 128.582 122.820 0.026 0.000 2.388 12 A HA 0.595 4.908 4.320 -0.011 0.000 0.257 12 A C -2.076 175.547 177.584 0.065 0.000 1.095 12 A CA -0.959 51.109 52.037 0.052 0.000 0.791 12 A CB -0.415 18.633 19.000 0.079 0.000 1.029 12 A HN 0.556 nan 8.150 nan 0.000 0.489 13 P HA 0.064 nan 4.420 nan 0.000 0.264 13 P C -0.440 176.871 177.300 0.018 0.000 1.179 13 P CA -0.079 63.035 63.100 0.024 0.000 0.763 13 P CB 0.257 31.966 31.700 0.015 0.000 0.806 14 L N 6.561 127.761 121.223 -0.038 0.000 2.433 14 L HA 0.279 4.613 4.340 -0.011 0.000 0.275 14 L C -2.097 174.631 176.870 -0.236 0.000 1.128 14 L CA -1.668 53.077 54.840 -0.160 0.000 0.875 14 L CB -0.483 41.469 42.059 -0.177 0.000 1.171 14 L HN 0.304 nan 8.230 nan 0.000 0.463 15 P HA 0.076 nan 4.420 nan 0.000 0.265 15 P C -2.024 175.109 177.300 -0.278 0.000 1.187 15 P CA -0.809 62.120 63.100 -0.284 0.000 0.766 15 P CB 0.053 31.505 31.700 -0.415 0.000 0.820 16 P HA -0.205 nan 4.420 nan 0.000 0.221 16 P C 0.962 178.242 177.300 -0.033 0.000 1.145 16 P CA 1.574 64.642 63.100 -0.053 0.000 0.795 16 P CB -0.270 31.434 31.700 0.006 0.000 0.775 17 H N -1.151 117.855 119.070 -0.107 0.000 2.539 17 H HA 0.168 4.718 4.556 -0.011 0.000 0.267 17 H C -0.034 175.261 175.328 -0.055 0.000 0.982 17 H CA -0.034 55.984 56.048 -0.050 0.000 1.146 17 H CB -0.653 29.108 29.762 -0.000 0.000 1.382 17 H HN -0.099 nan 8.280 nan 0.000 0.577 18 V N 5.691 125.234 119.914 -0.618 0.000 2.364 18 V HA 0.213 4.327 4.120 -0.011 0.000 0.272 18 V C -1.917 174.001 176.094 -0.292 0.000 1.036 18 V CA -1.625 60.332 62.300 -0.571 0.000 0.880 18 V CB 1.516 32.625 31.823 -1.190 0.000 0.991 18 V HN 0.250 nan 8.190 nan 0.000 0.460 19 P HA 0.104 nan 4.420 nan 0.000 0.271 19 P C 0.579 177.844 177.300 -0.060 0.000 1.216 19 P CA -0.072 63.020 63.100 -0.012 0.000 0.776 19 P CB 1.334 33.113 31.700 0.131 0.000 0.881 20 E N 1.695 121.910 120.200 0.024 0.000 2.204 20 E HA -0.230 4.114 4.350 -0.011 0.000 0.195 20 E C 1.583 178.223 176.600 0.067 0.000 0.990 20 E CA 0.780 57.192 56.400 0.020 0.000 0.821 20 E CB -0.131 29.590 29.700 0.036 0.000 0.750 20 E HN 0.558 nan 8.360 nan 0.000 0.477 21 H N -0.504 118.583 119.070 0.029 0.000 2.555 21 H HA -0.012 4.538 4.556 -0.010 0.000 0.269 21 H C 1.465 176.842 175.328 0.082 0.000 0.988 21 H CA 0.501 56.578 56.048 0.049 0.000 1.178 21 H CB -0.082 29.703 29.762 0.039 0.000 1.373 21 H HN 0.263 nan 8.280 nan 0.000 0.588 22 L N 1.286 122.319 121.223 -0.316 0.000 2.640 22 L HA 0.197 4.531 4.340 -0.011 0.000 0.230 22 L C 0.129 177.036 176.870 0.061 0.000 1.123 22 L CA -0.252 54.503 54.840 -0.140 0.000 0.900 22 L CB 0.773 42.765 42.059 -0.112 0.000 1.146 22 L HN -0.032 nan 8.230 nan 0.000 0.484 23 V N 0.866 120.817 119.914 0.062 0.000 2.470 23 V HA 0.073 4.186 4.120 -0.011 0.000 0.276 23 V C -0.600 175.607 176.094 0.187 0.000 1.040 23 V CA 0.154 62.528 62.300 0.125 0.000 1.008 23 V CB 0.894 32.760 31.823 0.071 0.000 0.990 23 V HN 0.079 nan 8.190 nan 0.000 0.477 24 F N 3.951 123.903 119.950 0.002 0.000 2.828 24 F HA 0.418 4.938 4.527 -0.011 0.000 0.355 24 F C 0.194 175.972 175.800 -0.036 0.000 1.200 24 F CA -0.900 57.094 58.000 -0.011 0.000 1.062 24 F CB 1.350 40.342 39.000 -0.014 0.000 1.351 24 F HN 0.515 nan 8.300 nan 0.000 0.504 25 D N 6.343 126.543 120.400 -0.333 0.000 2.662 25 D HA -0.031 4.603 4.640 -0.011 0.000 0.228 25 D C -0.252 175.876 176.300 -0.287 0.000 1.093 25 D CA 0.498 54.335 54.000 -0.272 0.000 1.075 25 D CB -0.397 40.265 40.800 -0.230 0.000 1.122 25 D HN 0.256 nan 8.370 nan 0.000 0.475 26 F N 1.727 121.490 119.950 -0.312 0.000 2.427 26 F HA 0.131 4.651 4.527 -0.011 0.000 0.352 26 F C 0.428 176.074 175.800 -0.256 0.000 1.100 26 F CA -0.782 57.067 58.000 -0.252 0.000 1.191 26 F CB 0.900 39.846 39.000 -0.091 0.000 1.128 26 F HN -0.138 nan 8.300 nan 0.000 0.533 27 D N 7.248 127.118 120.400 -0.884 0.000 2.454 27 D HA 0.106 4.740 4.640 -0.011 0.000 0.225 27 D C 0.925 176.709 176.300 -0.859 0.000 1.081 27 D CA -0.442 53.197 54.000 -0.602 0.000 0.864 27 D CB 0.896 41.469 40.800 -0.378 0.000 1.040 27 D HN 0.741 nan 8.370 nan 0.000 0.517 28 M N 1.857 121.123 119.600 -0.556 0.000 2.446 28 M HA -0.084 4.389 4.480 -0.011 0.000 0.263 28 M C 0.306 176.396 176.300 -0.351 0.000 1.066 28 M CA 1.228 56.245 55.300 -0.472 0.000 1.087 28 M CB -0.213 32.276 32.600 -0.185 0.000 1.406 28 M HN 0.227 nan 8.290 nan 0.000 0.459 29 Y N 0.170 120.419 120.300 -0.085 0.000 2.462 29 Y HA 0.252 4.795 4.550 -0.011 0.000 0.261 29 Y C 0.358 176.231 175.900 -0.045 0.000 1.146 29 Y CA -0.304 57.788 58.100 -0.014 0.000 1.283 29 Y CB 0.516 38.969 38.460 -0.011 0.000 1.090 29 Y HN 0.436 nan 8.280 nan 0.000 0.526 30 N N 0.228 118.903 118.700 -0.042 0.000 2.926 30 N HA 0.101 4.834 4.740 -0.011 0.000 0.201 30 N C -3.273 172.101 175.510 -0.226 0.000 1.419 30 N CA -1.347 51.661 53.050 -0.069 0.000 0.838 30 N CB 0.701 39.170 38.487 -0.029 0.000 1.534 30 N HN -0.228 nan 8.380 nan 0.000 0.569 31 P HA 0.060 nan 4.420 nan 0.000 0.268 31 P C 0.856 178.028 177.300 -0.213 0.000 1.205 31 P CA 0.035 62.842 63.100 -0.488 0.000 0.771 31 P CB 1.177 32.606 31.700 -0.452 0.000 0.858 32 S N 1.745 117.327 115.700 -0.197 0.000 2.399 32 S HA -0.200 4.264 4.470 -0.011 0.000 0.231 32 S C 1.330 175.916 174.600 -0.023 0.000 1.022 32 S CA 1.178 59.322 58.200 -0.094 0.000 0.983 32 S CB -0.932 62.212 63.200 -0.093 0.000 0.803 32 S HN 0.677 nan 8.310 nan 0.000 0.480 33 N N 0.200 118.911 118.700 0.019 0.000 2.295 33 N HA 0.155 4.889 4.740 -0.011 0.000 0.221 33 N C 1.146 176.704 175.510 0.079 0.000 1.129 33 N CA -0.106 52.979 53.050 0.058 0.000 0.836 33 N CB -0.077 38.467 38.487 0.094 0.000 1.040 33 N HN 0.246 nan 8.380 nan 0.000 0.494 34 L N 1.074 122.337 121.223 0.067 0.000 2.129 34 L HA -0.191 4.142 4.340 -0.011 0.000 0.212 34 L C 2.361 179.280 176.870 0.082 0.000 1.087 34 L CA 1.748 56.651 54.840 0.106 0.000 0.757 34 L CB -0.775 41.339 42.059 0.091 0.000 0.896 34 L HN 0.276 nan 8.230 nan 0.000 0.434 35 S N -0.841 114.887 115.700 0.046 0.000 2.400 35 S HA -0.137 4.326 4.470 -0.011 0.000 0.232 35 S C 1.917 176.524 174.600 0.011 0.000 1.025 35 S CA 0.814 59.026 58.200 0.020 0.000 0.993 35 S CB -0.907 62.303 63.200 0.016 0.000 0.808 35 S HN 0.488 nan 8.310 nan 0.000 0.478 36 A N 1.111 123.954 122.820 0.039 0.000 2.238 36 A HA 0.573 4.887 4.320 -0.011 0.000 0.208 36 A C 1.137 178.757 177.584 0.060 0.000 1.177 36 A CA 0.315 52.379 52.037 0.045 0.000 0.804 36 A CB -0.959 18.078 19.000 0.061 0.000 0.823 36 A HN 1.626 nan 8.150 nan 0.000 0.482 37 G N -2.337 106.498 108.800 0.059 0.000 2.697 37 G HA2 0.082 4.036 3.960 -0.011 0.000 0.684 37 G HA3 0.082 4.036 3.960 -0.011 0.000 0.684 37 G C 0.391 175.490 174.900 0.332 0.000 1.274 37 G CA -0.211 44.974 45.100 0.141 0.000 0.806 37 G HN 0.814 nan 8.290 nan 0.000 0.644 38 V N 1.522 121.794 119.914 0.596 0.000 2.343 38 V HA -0.171 3.943 4.120 -0.011 0.000 0.247 38 V C 2.718 179.045 176.094 0.388 0.000 1.051 38 V CA 3.361 65.947 62.300 0.478 0.000 1.036 38 V CB -0.330 31.768 31.823 0.459 0.000 0.654 38 V HN 0.815 nan 8.190 nan 0.000 0.451 39 Q N -0.112 119.807 119.800 0.198 0.000 2.084 39 Q HA -0.216 4.117 4.340 -0.011 0.000 0.202 39 Q C 2.105 178.202 176.000 0.162 0.000 0.978 39 Q CA 2.193 58.039 55.803 0.072 0.000 0.844 39 Q CB -0.289 28.394 28.738 -0.091 0.000 0.898 39 Q HN 0.687 nan 8.270 nan 0.000 0.426 40 E N 0.102 120.402 120.200 0.166 0.000 2.110 40 E HA -0.135 4.209 4.350 -0.011 0.000 0.193 40 E C 1.799 178.514 176.600 0.193 0.000 0.988 40 E CA 1.165 57.650 56.400 0.142 0.000 0.804 40 E CB -0.369 29.404 29.700 0.120 0.000 0.745 40 E HN 0.406 nan 8.360 nan 0.000 0.458 41 A N -0.008 122.972 122.820 0.266 0.000 1.877 41 A HA -0.180 4.134 4.320 -0.011 0.000 0.216 41 A C 1.783 179.575 177.584 0.347 0.000 1.186 41 A CA 1.415 53.621 52.037 0.281 0.000 0.620 41 A CB -1.007 18.166 19.000 0.288 0.000 0.822 41 A HN 0.371 nan 8.150 nan 0.000 0.443 42 W N -0.428 120.992 121.300 0.200 0.000 2.436 42 W HA 0.145 4.800 4.660 -0.009 0.000 0.284 42 W C 2.615 179.092 176.519 -0.070 0.000 1.225 42 W CA 0.953 58.346 57.345 0.079 0.000 1.271 42 W CB -0.336 29.140 29.460 0.027 0.000 1.114 42 W HN 0.365 nan 8.180 nan 0.000 0.559 43 A N 0.479 123.412 122.820 0.189 0.000 2.178 43 A HA -0.122 4.191 4.320 -0.011 0.000 0.218 43 A C 1.998 179.591 177.584 0.015 0.000 1.157 43 A CA 1.800 53.875 52.037 0.062 0.000 0.689 43 A CB -1.220 17.808 19.000 0.047 0.000 0.787 43 A HN 0.266 nan 8.150 nan 0.000 0.465 44 V N -2.336 117.610 119.914 0.053 0.000 2.594 44 V HA -0.180 3.933 4.120 -0.011 0.000 0.253 44 V C 1.984 178.026 176.094 -0.088 0.000 1.069 44 V CA 1.881 64.211 62.300 0.051 0.000 1.082 44 V CB -0.955 30.978 31.823 0.184 0.000 0.680 44 V HN 0.450 nan 8.190 nan 0.000 0.469 45 L N -0.323 120.780 121.223 -0.201 0.000 2.549 45 L HA -0.015 4.319 4.340 -0.011 0.000 0.229 45 L C 2.374 179.067 176.870 -0.295 0.000 1.158 45 L CA 1.194 55.794 54.840 -0.399 0.000 0.842 45 L CB -0.409 41.387 42.059 -0.438 0.000 0.952 45 L HN 0.425 nan 8.230 nan 0.000 0.452 46 Q N -0.576 119.119 119.800 -0.176 0.000 2.188 46 Q HA 0.141 4.475 4.340 -0.011 0.000 0.212 46 Q C -0.126 175.812 176.000 -0.105 0.000 0.846 46 Q CA -0.178 55.546 55.803 -0.131 0.000 0.989 46 Q CB 0.627 29.312 28.738 -0.089 0.000 1.114 46 Q HN 0.442 nan 8.270 nan 0.000 0.488 47 E N 0.300 120.431 120.200 -0.115 0.000 2.392 47 E HA 0.002 4.346 4.350 -0.011 0.000 0.259 47 E C 0.922 177.478 176.600 -0.074 0.000 1.108 47 E CA 0.223 56.580 56.400 -0.071 0.000 0.916 47 E CB 0.857 30.531 29.700 -0.044 0.000 0.989 47 E HN 0.191 nan 8.360 nan 0.000 0.432 48 S N 1.462 117.135 115.700 -0.045 0.000 2.440 48 S HA -0.231 4.232 4.470 -0.011 0.000 0.238 48 S C 1.074 175.651 174.600 -0.037 0.000 1.010 48 S CA 1.701 59.878 58.200 -0.038 0.000 0.972 48 S CB -0.446 62.741 63.200 -0.022 0.000 0.774 48 S HN 0.612 nan 8.310 nan 0.000 0.501 49 N N 0.473 119.151 118.700 -0.036 0.000 2.280 49 N HA 0.196 4.930 4.740 -0.011 0.000 0.192 49 N C -0.430 175.048 175.510 -0.053 0.000 1.109 49 N CA -0.133 52.905 53.050 -0.021 0.000 0.855 49 N CB 0.199 38.694 38.487 0.013 0.000 0.974 49 N HN 0.316 nan 8.380 nan 0.000 0.482 50 V N 1.167 121.006 119.914 -0.124 0.000 2.398 50 V HA 0.439 4.553 4.120 -0.011 0.000 0.286 50 V C -2.055 173.947 176.094 -0.154 0.000 1.026 50 V CA -1.805 60.364 62.300 -0.218 0.000 0.868 50 V CB 1.416 32.975 31.823 -0.440 0.000 0.982 50 V HN 0.027 nan 8.190 nan 0.000 0.443 51 P HA 0.199 nan 4.420 nan 0.000 0.272 51 P C 0.221 177.462 177.300 -0.097 0.000 1.240 51 P CA -0.299 62.762 63.100 -0.065 0.000 0.791 51 P CB 0.662 32.355 31.700 -0.011 0.000 0.978 52 D N -0.373 119.973 120.400 -0.091 0.000 2.219 52 D HA -0.025 4.609 4.640 -0.011 0.000 0.205 52 D C 0.395 176.635 176.300 -0.099 0.000 0.970 52 D CA 1.298 55.222 54.000 -0.126 0.000 0.851 52 D CB 0.035 40.727 40.800 -0.180 0.000 0.943 52 D HN 0.143 nan 8.370 nan 0.000 0.488 53 L N 0.783 121.983 121.223 -0.038 0.000 2.406 53 L HA 0.362 4.696 4.340 -0.011 0.000 0.272 53 L C -0.981 175.998 176.870 0.182 0.000 0.980 53 L CA -0.699 54.177 54.840 0.059 0.000 0.831 53 L CB 1.911 43.983 42.059 0.023 0.000 1.253 53 L HN -0.218 nan 8.230 nan 0.000 0.406 54 V N 1.058 121.125 119.914 0.255 0.000 3.074 54 V HA 0.655 4.768 4.120 -0.011 0.000 0.314 54 V C -1.342 174.974 176.094 0.369 0.000 1.117 54 V CA -0.749 61.722 62.300 0.284 0.000 1.014 54 V CB 2.366 34.256 31.823 0.111 0.000 1.057 54 V HN 0.861 nan 8.190 nan 0.000 0.438 55 W N 1.992 123.267 121.300 -0.041 0.000 2.587 55 W HA 0.686 5.339 4.660 -0.010 0.000 0.324 55 W C -1.006 175.356 176.519 -0.262 0.000 1.040 55 W CA -0.222 56.893 57.345 -0.384 0.000 1.222 55 W CB 1.928 30.895 29.460 -0.821 0.000 1.381 55 W HN 0.883 nan 8.180 nan 0.000 0.483 56 T N 5.406 119.434 114.554 -0.876 0.000 2.823 56 T HA 0.389 4.733 4.350 -0.011 0.000 0.279 56 T C 0.907 175.157 174.700 -0.751 0.000 0.998 56 T CA -0.478 61.259 62.100 -0.605 0.000 0.994 56 T CB 1.109 69.664 68.868 -0.523 0.000 0.960 56 T HN 0.617 nan 8.240 nan 0.000 0.448 57 R N 2.046 122.379 120.500 -0.278 0.000 2.310 57 R HA 0.200 4.534 4.340 -0.011 0.000 0.202 57 R C 0.508 176.729 176.300 -0.133 0.000 0.933 57 R CA -0.182 55.857 56.100 -0.101 0.000 1.054 57 R CB -0.304 30.013 30.300 0.028 0.000 0.985 57 R HN 0.525 nan 8.270 nan 0.000 0.489 58 C N 1.247 120.426 119.300 -0.202 0.000 2.595 58 C HA 0.129 4.583 4.460 -0.011 0.000 0.384 58 C C 0.885 175.846 174.990 -0.049 0.000 1.289 58 C CA -0.516 58.430 59.018 -0.119 0.000 2.372 58 C CB 0.137 27.794 27.740 -0.139 0.000 2.593 58 C HN 0.671 nan 8.230 nan 0.000 0.639 59 N N 0.575 119.291 118.700 0.026 0.000 2.721 59 N HA -0.153 4.581 4.740 -0.011 0.000 0.249 59 N C 0.744 176.307 175.510 0.088 0.000 1.072 59 N CA 0.950 54.057 53.050 0.095 0.000 0.710 59 N CB -1.140 37.467 38.487 0.200 0.000 0.993 59 N HN 1.363 nan 8.380 nan 0.000 0.547 60 G N -1.968 106.859 108.800 0.046 0.000 2.234 60 G HA2 0.102 4.056 3.960 -0.011 0.000 0.235 60 G HA3 0.102 4.056 3.960 -0.011 0.000 0.235 60 G C 0.538 175.468 174.900 0.051 0.000 0.997 60 G CA 0.310 45.444 45.100 0.057 0.000 0.623 60 G HN 1.614 nan 8.290 nan 0.000 0.514 61 G N -0.685 108.078 108.800 -0.062 0.000 3.209 61 G HA2 0.593 4.546 3.960 -0.011 0.000 0.686 61 G HA3 0.593 4.546 3.960 -0.011 0.000 0.686 61 G C -0.574 173.915 174.900 -0.685 0.000 1.065 61 G CA 0.620 45.519 45.100 -0.335 0.000 0.812 61 G HN 2.859 nan 8.290 nan 0.000 0.573 62 H N -1.591 116.539 119.070 -1.566 0.000 2.987 62 H HA 0.642 5.191 4.556 -0.010 0.000 0.316 62 H C -0.610 174.044 175.328 -1.124 0.000 1.380 62 H CA -1.576 53.753 56.048 -1.199 0.000 1.160 62 H CB 0.073 29.587 29.762 -0.413 0.000 1.865 62 H HN 0.662 nan 8.280 nan 0.000 0.521 63 W N 0.882 122.068 121.300 -0.190 0.000 2.129 63 W HA 0.623 5.277 4.660 -0.011 0.000 0.349 63 W C -0.198 176.371 176.519 0.084 0.000 1.279 63 W CA -0.506 56.861 57.345 0.038 0.000 1.306 63 W CB 0.792 30.393 29.460 0.234 0.000 1.140 63 W HN 0.458 nan 8.180 nan 0.000 0.613 64 I N 2.191 122.967 120.570 0.343 0.000 2.571 64 I HA 0.309 4.473 4.170 -0.011 0.000 0.286 64 I C -0.488 175.703 176.117 0.124 0.000 1.134 64 I CA -1.093 60.319 61.300 0.188 0.000 1.052 64 I CB 1.340 39.382 38.000 0.070 0.000 1.237 64 I HN 0.435 nan 8.210 nan 0.000 0.435 65 A N 3.265 126.124 122.820 0.064 0.000 2.320 65 A HA 0.527 4.840 4.320 -0.011 0.000 0.287 65 A C 0.924 178.486 177.584 -0.037 0.000 1.181 65 A CA -0.103 51.934 52.037 0.001 0.000 0.831 65 A CB 0.286 19.262 19.000 -0.041 0.000 1.102 65 A HN 0.845 nan 8.150 nan 0.000 0.513 66 T N -0.264 114.243 114.554 -0.077 0.000 3.069 66 T HA 0.253 4.596 4.350 -0.011 0.000 0.252 66 T C 0.557 175.196 174.700 -0.102 0.000 1.053 66 T CA -0.103 61.934 62.100 -0.105 0.000 0.964 66 T CB 0.047 68.819 68.868 -0.160 0.000 1.005 66 T HN 0.518 nan 8.240 nan 0.000 0.532 67 R N 0.217 120.652 120.500 -0.108 0.000 2.750 67 R HA 0.588 4.921 4.340 -0.011 0.000 0.281 67 R C 1.469 177.709 176.300 -0.099 0.000 0.972 67 R CA -0.364 55.671 56.100 -0.109 0.000 0.912 67 R CB 1.185 31.404 30.300 -0.135 0.000 1.187 67 R HN 0.203 nan 8.270 nan 0.000 0.464 68 G N 1.069 109.818 108.800 -0.085 0.000 2.469 68 G HA2 -0.334 3.619 3.960 -0.011 0.000 0.220 68 G HA3 -0.334 3.619 3.960 -0.011 0.000 0.220 68 G C 1.063 175.908 174.900 -0.091 0.000 1.136 68 G CA 0.804 45.855 45.100 -0.081 0.000 0.759 68 G HN 0.636 nan 8.290 nan 0.000 0.562 69 Q N -0.205 119.538 119.800 -0.094 0.000 2.061 69 Q HA -0.078 4.256 4.340 -0.011 0.000 0.204 69 Q C 2.606 178.560 176.000 -0.078 0.000 0.984 69 Q CA 1.286 57.041 55.803 -0.081 0.000 0.846 69 Q CB -0.224 28.460 28.738 -0.090 0.000 0.902 69 Q HN 0.534 nan 8.270 nan 0.000 0.421 70 L N 0.076 121.204 121.223 -0.158 0.000 2.109 70 L HA -0.139 4.195 4.340 -0.011 0.000 0.207 70 L C 2.451 179.319 176.870 -0.005 0.000 1.086 70 L CA 0.690 55.463 54.840 -0.112 0.000 0.760 70 L CB -0.498 41.415 42.059 -0.244 0.000 0.910 70 L HN 0.307 nan 8.230 nan 0.000 0.437 71 I N -0.005 120.524 120.570 -0.068 0.000 2.179 71 I HA -0.269 3.895 4.170 -0.011 0.000 0.242 71 I C 2.851 178.959 176.117 -0.015 0.000 1.088 71 I CA 1.307 62.555 61.300 -0.086 0.000 1.357 71 I CB -0.277 37.714 38.000 -0.016 0.000 1.051 71 I HN 0.206 nan 8.210 nan 0.000 0.409 72 R N 0.702 121.174 120.500 -0.046 0.000 2.070 72 R HA -0.176 4.158 4.340 -0.011 0.000 0.233 72 R C 2.238 178.630 176.300 0.152 0.000 1.137 72 R CA 1.554 57.571 56.100 -0.139 0.000 0.945 72 R CB -0.372 29.717 30.300 -0.352 0.000 0.845 72 R HN 0.398 nan 8.270 nan 0.000 0.430 73 E N 0.390 120.683 120.200 0.155 0.000 2.070 73 E HA -0.237 4.107 4.350 -0.011 0.000 0.197 73 E C 2.058 178.800 176.600 0.236 0.000 1.004 73 E CA 1.392 57.958 56.400 0.277 0.000 0.805 73 E CB -0.145 29.803 29.700 0.414 0.000 0.744 73 E HN 0.399 nan 8.360 nan 0.000 0.451 74 A N 0.412 123.224 122.820 -0.014 0.000 1.898 74 A HA -0.179 4.135 4.320 -0.011 0.000 0.216 74 A C 1.811 179.283 177.584 -0.186 0.000 1.181 74 A CA 1.215 52.930 52.037 -0.537 0.000 0.620 74 A CB -0.714 17.544 19.000 -1.237 0.000 0.819 74 A HN 0.265 nan 8.150 nan 0.000 0.442 75 Y N 0.366 120.700 120.300 0.057 0.000 2.421 75 Y HA -0.082 4.462 4.550 -0.009 0.000 0.292 75 Y C 2.311 178.362 175.900 0.251 0.000 1.136 75 Y CA 1.309 59.517 58.100 0.181 0.000 1.255 75 Y CB -0.260 38.347 38.460 0.246 0.000 0.991 75 Y HN 0.486 nan 8.280 nan 0.000 0.552 76 E N -0.878 119.562 120.200 0.400 0.000 2.170 76 E HA -0.111 4.233 4.350 -0.011 0.000 0.191 76 E C 0.375 177.109 176.600 0.223 0.000 0.981 76 E CA 0.657 57.235 56.400 0.297 0.000 0.830 76 E CB 0.119 29.985 29.700 0.277 0.000 0.775 76 E HN 0.113 nan 8.360 nan 0.000 0.470 77 D N 0.224 120.762 120.400 0.230 0.000 2.563 77 D HA -0.022 4.612 4.640 -0.011 0.000 0.222 77 D C 0.292 176.659 176.300 0.112 0.000 1.145 77 D CA -0.406 53.655 54.000 0.102 0.000 1.001 77 D CB -0.084 40.858 40.800 0.236 0.000 1.049 77 D HN 0.178 nan 8.370 nan 0.000 0.515 78 Y N 1.066 121.444 120.300 0.130 0.000 2.571 78 Y HA 0.140 4.685 4.550 -0.009 0.000 0.294 78 Y C 1.742 177.639 175.900 -0.004 0.000 1.141 78 Y CA 0.103 58.272 58.100 0.114 0.000 1.308 78 Y CB -0.222 38.314 38.460 0.126 0.000 1.002 78 Y HN 0.037 nan 8.280 nan 0.000 0.551 79 R N 0.318 120.601 120.500 -0.362 0.000 2.092 79 R HA -0.079 4.254 4.340 -0.011 0.000 0.231 79 R C 1.407 177.456 176.300 -0.420 0.000 1.119 79 R CA 1.885 57.758 56.100 -0.380 0.000 0.970 79 R CB -0.742 29.194 30.300 -0.607 0.000 0.864 79 R HN 0.614 nan 8.270 nan 0.000 0.440 80 H N -2.049 116.758 119.070 -0.438 0.000 2.516 80 H HA 0.137 4.687 4.556 -0.010 0.000 0.284 80 H C -0.197 174.687 175.328 -0.740 0.000 0.999 80 H CA 0.088 55.684 56.048 -0.753 0.000 1.303 80 H CB 0.359 29.292 29.762 -1.382 0.000 1.452 80 H HN -0.048 nan 8.280 nan 0.000 0.530 81 F N 1.164 121.101 119.950 -0.021 0.000 2.307 81 F HA 0.284 4.804 4.527 -0.011 0.000 0.369 81 F C 0.233 176.066 175.800 0.056 0.000 1.076 81 F CA -0.704 57.289 58.000 -0.012 0.000 1.149 81 F CB 1.190 40.143 39.000 -0.078 0.000 1.410 81 F HN -0.102 nan 8.300 nan 0.000 0.481 82 S N 0.885 116.690 115.700 0.175 0.000 2.584 82 S HA 0.233 4.697 4.470 -0.011 0.000 0.273 82 S C 1.110 175.786 174.600 0.127 0.000 1.311 82 S CA -0.442 57.850 58.200 0.155 0.000 1.034 82 S CB 0.998 64.257 63.200 0.099 0.000 0.939 82 S HN 0.526 nan 8.310 nan 0.000 0.513 83 S N 2.590 118.353 115.700 0.106 0.000 2.593 83 S HA 0.056 4.520 4.470 -0.011 0.000 0.217 83 S C 1.521 176.115 174.600 -0.009 0.000 0.966 83 S CA -0.017 58.188 58.200 0.008 0.000 0.914 83 S CB -0.160 62.977 63.200 -0.105 0.000 0.776 83 S HN 0.869 nan 8.310 nan 0.000 0.523 84 E N 0.312 120.532 120.200 0.033 0.000 2.160 84 E HA -0.174 4.170 4.350 -0.011 0.000 0.195 84 E C 0.345 176.943 176.600 -0.003 0.000 0.991 84 E CA 0.792 57.208 56.400 0.028 0.000 0.810 84 E CB 0.085 29.808 29.700 0.039 0.000 0.742 84 E HN 0.408 nan 8.360 nan 0.000 0.466 85 C N 1.549 120.839 119.300 -0.017 0.000 3.188 85 C HA 0.416 4.870 4.460 -0.011 0.000 0.230 85 C C -1.934 173.019 174.990 -0.061 0.000 1.239 85 C CA -1.553 57.439 59.018 -0.044 0.000 1.494 85 C CB 0.905 28.645 27.740 0.001 0.000 1.798 85 C HN 0.298 nan 8.230 nan 0.000 0.458 86 P HA 0.099 nan 4.420 nan 0.000 0.240 86 P C 0.183 177.561 177.300 0.131 0.000 1.190 86 P CA 0.562 63.597 63.100 -0.107 0.000 0.781 86 P CB 0.210 31.720 31.700 -0.317 0.000 0.931 87 F N -0.185 119.575 119.950 -0.318 0.000 2.523 87 F HA 0.499 5.019 4.527 -0.011 0.000 0.329 87 F C 0.776 176.474 175.800 -0.170 0.000 1.061 87 F CA -1.537 56.318 58.000 -0.242 0.000 0.967 87 F CB 1.982 40.802 39.000 -0.300 0.000 1.218 87 F HN -0.413 nan 8.300 nan 0.000 0.480 88 I N 3.258 123.835 120.570 0.011 0.000 2.433 88 I HA 0.309 4.473 4.170 -0.011 0.000 0.292 88 I C -2.215 173.982 176.117 0.133 0.000 1.001 88 I CA -2.254 59.023 61.300 -0.039 0.000 1.119 88 I CB 2.100 39.923 38.000 -0.294 0.000 1.289 88 I HN 0.233 nan 8.210 nan 0.000 0.438 89 P HA 0.039 nan 4.420 nan 0.000 0.270 89 P C 0.445 177.765 177.300 0.033 0.000 1.227 89 P CA -0.222 62.918 63.100 0.068 0.000 0.788 89 P CB 0.636 32.370 31.700 0.056 0.000 0.926 90 R N 1.665 122.184 120.500 0.032 0.000 2.105 90 R HA -0.174 4.160 4.340 -0.011 0.000 0.239 90 R C 1.913 178.217 176.300 0.006 0.000 1.135 90 R CA 1.591 57.706 56.100 0.025 0.000 0.967 90 R CB -0.196 30.133 30.300 0.047 0.000 0.861 90 R HN 0.545 nan 8.270 nan 0.000 0.442 91 E N 0.100 120.309 120.200 0.014 0.000 2.150 91 E HA -0.161 4.183 4.350 -0.011 0.000 0.193 91 E C 1.658 178.243 176.600 -0.025 0.000 0.985 91 E CA 1.290 57.697 56.400 0.012 0.000 0.814 91 E CB -0.262 29.458 29.700 0.035 0.000 0.752 91 E HN 0.429 nan 8.360 nan 0.000 0.466 92 A N 1.814 124.599 122.820 -0.059 0.000 1.897 92 A HA 0.098 4.411 4.320 -0.011 0.000 0.215 92 A C 2.544 179.842 177.584 -0.476 0.000 1.181 92 A CA 1.441 53.309 52.037 -0.281 0.000 0.620 92 A CB -1.061 17.869 19.000 -0.116 0.000 0.821 92 A HN 0.396 nan 8.150 nan 0.000 0.443 93 G N -0.365 108.315 108.800 -0.199 0.000 2.408 93 G HA2 -0.178 3.776 3.960 -0.011 0.000 0.217 93 G HA3 -0.178 3.776 3.960 -0.011 0.000 0.217 93 G C 1.412 176.225 174.900 -0.144 0.000 1.150 93 G CA 0.933 45.926 45.100 -0.178 0.000 0.776 93 G HN 0.639 nan 8.290 nan 0.000 0.542 94 E N 0.439 120.586 120.200 -0.089 0.000 2.106 94 E HA 0.008 4.352 4.350 -0.011 0.000 0.192 94 E C 2.858 179.430 176.600 -0.047 0.000 0.984 94 E CA 0.714 57.088 56.400 -0.043 0.000 0.806 94 E CB -0.110 29.585 29.700 -0.010 0.000 0.750 94 E HN 0.418 nan 8.360 nan 0.000 0.458 95 A N 0.856 123.634 122.820 -0.070 0.000 2.014 95 A HA -0.117 4.197 4.320 -0.011 0.000 0.218 95 A C 0.820 178.375 177.584 -0.047 0.000 1.163 95 A CA 0.173 52.208 52.037 -0.003 0.000 0.652 95 A CB -0.444 18.645 19.000 0.148 0.000 0.808 95 A HN 0.296 nan 8.150 nan 0.000 0.449 96 Y N 2.312 122.366 120.300 -0.410 0.000 2.729 96 Y HA 0.175 4.718 4.550 -0.011 0.000 0.331 96 Y C 0.314 176.018 175.900 -0.327 0.000 1.208 96 Y CA 0.089 57.878 58.100 -0.518 0.000 1.521 96 Y CB 0.490 38.434 38.460 -0.860 0.000 1.233 96 Y HN 0.458 nan 8.280 nan 0.000 0.539 97 D N 3.913 123.983 120.400 -0.550 0.000 2.651 97 D HA 0.025 4.659 4.640 -0.011 0.000 0.280 97 D C -0.662 175.506 176.300 -0.219 0.000 1.496 97 D CA -0.356 53.504 54.000 -0.234 0.000 0.792 97 D CB -1.037 39.703 40.800 -0.100 0.000 1.144 97 D HN 0.162 nan 8.370 nan 0.000 0.470 98 F N 1.199 120.897 119.950 -0.421 0.000 2.545 98 F HA 0.312 4.834 4.527 -0.009 0.000 0.348 98 F C 1.241 176.984 175.800 -0.095 0.000 1.163 98 F CA -0.463 57.389 58.000 -0.247 0.000 1.331 98 F CB 0.430 39.217 39.000 -0.355 0.000 1.138 98 F HN -0.116 nan 8.300 nan 0.000 0.602 99 I N 3.782 124.421 120.570 0.115 0.000 2.474 99 I HA 0.239 4.402 4.170 -0.011 0.000 0.294 99 I C -1.782 174.350 176.117 0.026 0.000 1.005 99 I CA -1.765 59.502 61.300 -0.056 0.000 1.113 99 I CB 2.404 40.190 38.000 -0.356 0.000 1.289 99 I HN 0.358 nan 8.210 nan 0.000 0.436 100 P HA 0.101 nan 4.420 nan 0.000 0.261 100 P C 1.022 178.477 177.300 0.258 0.000 1.268 100 P CA 0.238 63.398 63.100 0.100 0.000 0.833 100 P CB 0.172 31.969 31.700 0.163 0.000 1.231 101 T N -0.254 114.469 114.554 0.283 0.000 2.849 101 T HA -0.120 4.223 4.350 -0.011 0.000 0.270 101 T C 1.669 176.454 174.700 0.141 0.000 1.066 101 T CA 2.011 64.253 62.100 0.237 0.000 1.130 101 T CB -0.638 68.411 68.868 0.303 0.000 0.864 101 T HN 0.303 nan 8.240 nan 0.000 0.481 102 S N -0.079 115.770 115.700 0.249 0.000 2.631 102 S HA 0.317 4.780 4.470 -0.011 0.000 0.217 102 S C 0.456 175.120 174.600 0.106 0.000 0.958 102 S CA -0.305 57.998 58.200 0.172 0.000 0.920 102 S CB -0.454 62.872 63.200 0.211 0.000 0.776 102 S HN 0.353 nan 8.310 nan 0.000 0.517 103 M N 1.752 121.442 119.600 0.151 0.000 2.598 103 M HA 0.516 4.990 4.480 -0.011 0.000 0.317 103 M C -1.039 175.386 176.300 0.208 0.000 1.179 103 M CA -0.661 54.724 55.300 0.140 0.000 0.936 103 M CB 1.585 34.246 32.600 0.102 0.000 1.713 103 M HN -0.004 nan 8.290 nan 0.000 0.460 104 D N 1.497 121.968 120.400 0.120 0.000 2.272 104 D HA 0.504 5.137 4.640 -0.011 0.000 0.247 104 D C -2.490 173.747 176.300 -0.105 0.000 0.990 104 D CA -1.256 52.777 54.000 0.056 0.000 0.931 104 D CB 1.401 42.251 40.800 0.084 0.000 1.195 104 D HN 0.149 nan 8.370 nan 0.000 0.477 105 P HA 0.100 nan 4.420 nan 0.000 0.272 105 P C -1.634 175.543 177.300 -0.205 0.000 1.230 105 P CA -0.775 62.088 63.100 -0.394 0.000 0.788 105 P CB 0.363 31.584 31.700 -0.800 0.000 0.949 106 P HA -0.096 nan 4.420 nan 0.000 0.224 106 P C 1.241 178.520 177.300 -0.035 0.000 1.157 106 P CA 1.035 64.094 63.100 -0.067 0.000 0.799 106 P CB 0.081 31.770 31.700 -0.019 0.000 0.809 107 E N 0.965 121.171 120.200 0.010 0.000 2.130 107 E HA -0.273 4.071 4.350 -0.011 0.000 0.196 107 E C 2.255 178.949 176.600 0.156 0.000 0.998 107 E CA 1.086 57.534 56.400 0.080 0.000 0.806 107 E CB -0.452 29.315 29.700 0.110 0.000 0.738 107 E HN 0.210 nan 8.360 nan 0.000 0.459 108 Q N 0.798 120.655 119.800 0.096 0.000 2.096 108 Q HA -0.238 4.096 4.340 -0.011 0.000 0.204 108 Q C 2.264 178.335 176.000 0.119 0.000 0.982 108 Q CA 1.604 57.489 55.803 0.136 0.000 0.850 108 Q CB -0.104 28.622 28.738 -0.021 0.000 0.901 108 Q HN 0.336 nan 8.270 nan 0.000 0.422 109 R N 0.469 120.961 120.500 -0.014 0.000 2.134 109 R HA -0.252 4.082 4.340 -0.011 0.000 0.248 109 R C 2.535 178.810 176.300 -0.042 0.000 1.143 109 R CA 2.301 58.373 56.100 -0.045 0.000 0.957 109 R CB -0.685 29.571 30.300 -0.074 0.000 0.867 109 R HN 0.619 nan 8.270 nan 0.000 0.441 110 Q N -0.116 119.623 119.800 -0.103 0.000 2.197 110 Q HA -0.173 4.160 4.340 -0.011 0.000 0.207 110 Q C 1.638 177.458 176.000 -0.300 0.000 0.984 110 Q CA 1.718 57.373 55.803 -0.247 0.000 0.869 110 Q CB -0.427 28.070 28.738 -0.402 0.000 0.906 110 Q HN 0.368 nan 8.270 nan 0.000 0.426 111 F N 0.788 120.729 119.950 -0.015 0.000 2.512 111 F HA 0.150 4.672 4.527 -0.009 0.000 0.296 111 F C 2.408 178.205 175.800 -0.004 0.000 1.110 111 F CA 0.360 58.359 58.000 -0.001 0.000 1.446 111 F CB 0.020 39.030 39.000 0.017 0.000 1.092 111 F HN -0.077 nan 8.300 nan 0.000 0.554 112 R N 0.369 120.946 120.500 0.128 0.000 2.081 112 R HA -0.142 4.191 4.340 -0.011 0.000 0.235 112 R C 2.483 178.804 176.300 0.034 0.000 1.131 112 R CA 1.180 57.318 56.100 0.064 0.000 0.960 112 R CB -0.679 29.627 30.300 0.010 0.000 0.856 112 R HN 0.289 nan 8.270 nan 0.000 0.436 113 A N 1.198 124.021 122.820 0.005 0.000 1.883 113 A HA -0.193 4.120 4.320 -0.011 0.000 0.217 113 A C 2.054 179.642 177.584 0.007 0.000 1.186 113 A CA 1.262 53.294 52.037 -0.007 0.000 0.624 113 A CB -0.552 18.427 19.000 -0.035 0.000 0.822 113 A HN 0.248 nan 8.150 nan 0.000 0.444 114 L N -0.246 120.986 121.223 0.015 0.000 2.017 114 L HA -0.044 4.290 4.340 -0.011 0.000 0.208 114 L C 2.711 179.612 176.870 0.051 0.000 1.073 114 L CA 2.277 57.136 54.840 0.032 0.000 0.745 114 L CB -0.983 41.107 42.059 0.052 0.000 0.894 114 L HN 0.356 nan 8.230 nan 0.000 0.432 115 A N -0.540 122.324 122.820 0.073 0.000 1.908 115 A HA -0.303 4.011 4.320 -0.011 0.000 0.218 115 A C 2.272 179.883 177.584 0.044 0.000 1.181 115 A CA 2.013 54.089 52.037 0.066 0.000 0.627 115 A CB -1.098 17.946 19.000 0.075 0.000 0.818 115 A HN 0.686 nan 8.150 nan 0.000 0.445 116 N N -0.427 118.294 118.700 0.035 0.000 2.348 116 N HA -0.178 4.556 4.740 -0.011 0.000 0.185 116 N C 1.722 177.248 175.510 0.028 0.000 1.019 116 N CA 1.297 54.364 53.050 0.029 0.000 0.880 116 N CB -0.120 38.381 38.487 0.023 0.000 0.965 116 N HN 0.698 nan 8.380 nan 0.000 0.437 117 Q N -0.193 119.621 119.800 0.024 0.000 2.297 117 Q HA -0.050 4.284 4.340 -0.011 0.000 0.204 117 Q C 1.897 177.909 176.000 0.020 0.000 0.962 117 Q CA 1.057 56.871 55.803 0.018 0.000 0.879 117 Q CB 0.365 29.111 28.738 0.013 0.000 0.947 117 Q HN 0.381 nan 8.270 nan 0.000 0.462 118 V N -3.709 116.222 119.914 0.029 0.000 3.645 118 V HA 0.131 4.245 4.120 -0.011 0.000 0.275 118 V C 1.351 177.471 176.094 0.043 0.000 1.356 118 V CA 0.319 62.638 62.300 0.032 0.000 1.051 118 V CB 0.708 32.555 31.823 0.040 0.000 0.828 118 V HN 0.192 nan 8.190 nan 0.000 0.441 119 V N -2.572 117.367 119.914 0.042 0.000 3.382 119 V HA 0.716 4.830 4.120 -0.011 0.000 0.296 119 V C 1.049 177.165 176.094 0.037 0.000 1.529 119 V CA 0.478 62.803 62.300 0.041 0.000 1.048 119 V CB -0.365 31.479 31.823 0.033 0.000 0.878 119 V HN 0.434 nan 8.190 nan 0.000 0.442 120 G N -0.079 108.750 108.800 0.048 0.000 2.553 120 G HA2 0.339 4.293 3.960 -0.011 0.000 0.278 120 G HA3 0.339 4.293 3.960 -0.011 0.000 0.278 120 G C 0.554 175.515 174.900 0.101 0.000 1.349 120 G CA 0.124 45.278 45.100 0.089 0.000 1.037 120 G HN 0.154 nan 8.290 nan 0.000 0.508 121 M N 1.279 120.948 119.600 0.115 0.000 2.149 121 M HA -0.030 4.443 4.480 -0.011 0.000 0.261 121 M C -0.046 176.248 176.300 -0.009 0.000 1.064 121 M CA 1.630 56.928 55.300 -0.003 0.000 1.102 121 M CB -0.889 31.610 32.600 -0.167 0.000 1.369 121 M HN 0.358 nan 8.290 nan 0.000 0.408 122 P HA -0.071 nan 4.420 nan 0.000 0.225 122 P C 1.264 178.565 177.300 0.002 0.000 1.148 122 P CA 1.199 64.296 63.100 -0.006 0.000 0.779 122 P CB -0.138 31.559 31.700 -0.005 0.000 0.780 123 V N -0.638 119.284 119.914 0.013 0.000 3.052 123 V HA -0.071 4.043 4.120 -0.011 0.000 0.254 123 V C 2.709 178.812 176.094 0.014 0.000 1.100 123 V CA 0.855 63.163 62.300 0.013 0.000 1.112 123 V CB -0.662 31.174 31.823 0.020 0.000 0.738 123 V HN -0.063 nan 8.190 nan 0.000 0.469 124 V N 0.556 120.482 119.914 0.020 0.000 2.453 124 V HA -0.169 3.944 4.120 -0.011 0.000 0.247 124 V C 2.166 178.270 176.094 0.016 0.000 1.048 124 V CA 1.968 64.282 62.300 0.024 0.000 1.049 124 V CB -0.548 31.296 31.823 0.035 0.000 0.672 124 V HN 0.519 nan 8.190 nan 0.000 0.457 125 D N -0.021 120.382 120.400 0.006 0.000 2.183 125 D HA -0.083 4.550 4.640 -0.011 0.000 0.203 125 D C 2.176 178.479 176.300 0.005 0.000 0.969 125 D CA 0.817 54.819 54.000 0.004 0.000 0.842 125 D CB -0.202 40.595 40.800 -0.005 0.000 0.957 125 D HN 0.361 nan 8.370 nan 0.000 0.484 126 K N -0.006 120.395 120.400 0.002 0.000 2.211 126 K HA 0.031 4.344 4.320 -0.011 0.000 0.203 126 K C 1.428 178.028 176.600 0.001 0.000 1.050 126 K CA 0.618 56.905 56.287 -0.001 0.000 0.945 126 K CB 0.214 32.712 32.500 -0.004 0.000 0.732 126 K HN 0.213 nan 8.250 nan 0.000 0.451 127 L N -0.310 120.915 121.223 0.004 0.000 2.858 127 L HA 0.113 4.447 4.340 -0.011 0.000 0.251 127 L C 1.937 178.818 176.870 0.020 0.000 1.149 127 L CA -0.111 54.732 54.840 0.005 0.000 0.955 127 L CB 0.162 42.217 42.059 -0.007 0.000 1.289 127 L HN 0.128 nan 8.230 nan 0.000 0.542 128 E N 1.408 121.623 120.200 0.025 0.000 2.108 128 E HA -0.300 4.043 4.350 -0.011 0.000 0.203 128 E C 1.457 178.087 176.600 0.050 0.000 1.022 128 E CA 2.207 58.631 56.400 0.040 0.000 0.823 128 E CB 0.210 29.929 29.700 0.032 0.000 0.744 128 E HN 0.480 nan 8.360 nan 0.000 0.456 129 N N 0.100 118.823 118.700 0.038 0.000 2.142 129 N HA -0.098 4.635 4.740 -0.011 0.000 0.186 129 N C 1.769 177.310 175.510 0.052 0.000 1.023 129 N CA 1.120 54.196 53.050 0.042 0.000 0.852 129 N CB -0.220 38.284 38.487 0.029 0.000 0.998 129 N HN 0.177 nan 8.380 nan 0.000 0.424 130 R N 0.329 120.854 120.500 0.042 0.000 2.092 130 R HA 0.061 4.395 4.340 -0.011 0.000 0.231 130 R C 2.098 178.445 176.300 0.079 0.000 1.119 130 R CA 0.788 56.915 56.100 0.045 0.000 0.970 130 R CB -0.368 29.943 30.300 0.018 0.000 0.864 130 R HN 0.268 nan 8.270 nan 0.000 0.440 131 I N 0.754 121.375 120.570 0.085 0.000 2.163 131 I HA -0.319 3.845 4.170 -0.011 0.000 0.243 131 I C 2.704 178.981 176.117 0.267 0.000 1.085 131 I CA 1.314 62.707 61.300 0.154 0.000 1.347 131 I CB -0.311 37.762 38.000 0.122 0.000 1.044 131 I HN 0.139 nan 8.210 nan 0.000 0.408 132 Q N 1.515 121.421 119.800 0.176 0.000 2.030 132 Q HA -0.252 4.082 4.340 -0.011 0.000 0.204 132 Q C 1.941 178.022 176.000 0.135 0.000 0.986 132 Q CA 2.003 57.897 55.803 0.150 0.000 0.843 132 Q CB -0.237 28.560 28.738 0.097 0.000 0.904 132 Q HN 0.474 nan 8.270 nan 0.000 0.420 133 E N -0.397 119.868 120.200 0.109 0.000 2.085 133 E HA -0.207 4.137 4.350 -0.011 0.000 0.194 133 E C 1.928 178.594 176.600 0.110 0.000 0.994 133 E CA 1.226 57.678 56.400 0.088 0.000 0.801 133 E CB -0.300 29.439 29.700 0.065 0.000 0.743 133 E HN 0.289 nan 8.360 nan 0.000 0.453 134 L N 0.961 122.279 121.223 0.158 0.000 2.046 134 L HA -0.108 4.226 4.340 -0.011 0.000 0.208 134 L C 2.208 179.205 176.870 0.212 0.000 1.077 134 L CA 1.989 56.944 54.840 0.190 0.000 0.747 134 L CB -0.717 41.481 42.059 0.232 0.000 0.896 134 L HN 0.053 nan 8.230 nan 0.000 0.432 135 A N -1.300 121.665 122.820 0.242 0.000 1.877 135 A HA -0.252 4.061 4.320 -0.011 0.000 0.216 135 A C 2.404 180.040 177.584 0.087 0.000 1.186 135 A CA 1.955 54.013 52.037 0.036 0.000 0.620 135 A CB -1.490 17.453 19.000 -0.095 0.000 0.822 135 A HN 0.619 nan 8.150 nan 0.000 0.443 136 C N -0.061 119.279 119.300 0.067 0.000 2.429 136 C HA -0.077 4.376 4.460 -0.011 0.000 0.277 136 C C 3.459 178.464 174.990 0.025 0.000 1.262 136 C CA 1.414 60.447 59.018 0.026 0.000 1.733 136 C CB -1.215 26.539 27.740 0.023 0.000 2.010 136 C HN 0.808 nan 8.230 nan 0.000 0.483 137 S N 0.622 116.353 115.700 0.052 0.000 2.368 137 S HA -0.112 4.352 4.470 -0.011 0.000 0.224 137 S C 1.724 176.357 174.600 0.056 0.000 1.029 137 S CA 1.108 59.335 58.200 0.045 0.000 0.988 137 S CB -0.588 62.643 63.200 0.051 0.000 0.838 137 S HN 0.362 nan 8.310 nan 0.000 0.462 138 L N 1.608 122.888 121.223 0.095 0.000 2.046 138 L HA 0.191 4.525 4.340 -0.011 0.000 0.208 138 L C 2.366 179.316 176.870 0.133 0.000 1.077 138 L CA 1.333 56.254 54.840 0.136 0.000 0.747 138 L CB -0.797 41.371 42.059 0.182 0.000 0.896 138 L HN 0.388 nan 8.230 nan 0.000 0.432 139 I N -1.093 119.524 120.570 0.079 0.000 2.286 139 I HA -0.230 3.934 4.170 -0.011 0.000 0.245 139 I C 2.392 178.403 176.117 -0.176 0.000 1.104 139 I CA 0.984 62.206 61.300 -0.130 0.000 1.397 139 I CB -0.193 37.650 38.000 -0.261 0.000 1.072 139 I HN 0.255 nan 8.210 nan 0.000 0.417 140 E N 1.258 121.400 120.200 -0.097 0.000 2.110 140 E HA -0.170 4.174 4.350 -0.011 0.000 0.193 140 E C 2.112 178.695 176.600 -0.028 0.000 0.988 140 E CA 1.682 58.036 56.400 -0.077 0.000 0.804 140 E CB -0.087 29.587 29.700 -0.043 0.000 0.745 140 E HN 0.275 nan 8.360 nan 0.000 0.458 141 S N -0.111 115.592 115.700 0.005 0.000 2.399 141 S HA -0.061 4.403 4.470 -0.011 0.000 0.231 141 S C 1.806 176.442 174.600 0.059 0.000 1.022 141 S CA 1.092 59.312 58.200 0.033 0.000 0.983 141 S CB -0.178 63.050 63.200 0.047 0.000 0.803 141 S HN 0.275 nan 8.310 nan 0.000 0.480 142 L N 0.677 121.941 121.223 0.067 0.000 2.162 142 L HA 0.106 4.440 4.340 -0.011 0.000 0.205 142 L C 2.571 179.595 176.870 0.258 0.000 1.086 142 L CA 0.514 55.452 54.840 0.163 0.000 0.778 142 L CB -0.458 41.719 42.059 0.197 0.000 0.928 142 L HN 0.200 nan 8.230 nan 0.000 0.446 143 R N 1.063 121.609 120.500 0.076 0.000 2.191 143 R HA -0.224 4.109 4.340 -0.011 0.000 0.248 143 R C -0.579 175.918 176.300 0.329 0.000 1.127 143 R CA 2.619 58.783 56.100 0.105 0.000 0.943 143 R CB -1.411 28.832 30.300 -0.095 0.000 0.891 143 R HN 0.247 nan 8.270 nan 0.000 0.439 144 P HA -0.112 nan 4.420 nan 0.000 0.230 144 P C 0.357 177.694 177.300 0.063 0.000 1.158 144 P CA 1.282 64.449 63.100 0.112 0.000 0.769 144 P CB -0.039 31.694 31.700 0.055 0.000 0.807 145 Q N -0.592 119.247 119.800 0.066 0.000 2.230 145 Q HA 0.070 4.404 4.340 -0.011 0.000 0.202 145 Q C 1.715 177.512 176.000 -0.338 0.000 0.963 145 Q CA 0.968 56.724 55.803 -0.078 0.000 0.866 145 Q CB -0.511 28.208 28.738 -0.032 0.000 0.931 145 Q HN 0.280 nan 8.270 nan 0.000 0.452 146 G N 1.595 109.998 108.800 -0.661 0.000 2.168 146 G HA2 -0.323 3.630 3.960 -0.011 0.000 0.263 146 G HA3 -0.323 3.630 3.960 -0.011 0.000 0.263 146 G C -0.005 173.790 174.900 -1.841 0.000 0.977 146 G CA 0.857 45.051 45.100 -1.510 0.000 0.659 146 G HN 0.487 nan 8.290 nan 0.000 0.533 147 Q N -1.684 117.209 119.800 -1.510 0.000 2.578 147 Q HA 0.650 4.984 4.340 -0.011 0.000 0.284 147 Q C -0.388 175.473 176.000 -0.232 0.000 0.960 147 Q CA -0.741 54.580 55.803 -0.804 0.000 0.809 147 Q CB 1.691 30.212 28.738 -0.363 0.000 1.462 147 Q HN 1.507 nan 8.270 nan 0.000 0.392 148 C N -0.304 119.059 119.300 0.106 0.000 3.292 148 C HA 0.621 5.074 4.460 -0.011 0.000 0.338 148 C C -1.667 173.463 174.990 0.234 0.000 1.323 148 C CA -0.833 58.338 59.018 0.254 0.000 1.232 148 C CB 1.405 29.443 27.740 0.497 0.000 1.517 148 C HN 0.906 nan 8.230 nan 0.000 0.470 149 N N 1.350 120.161 118.700 0.185 0.000 2.817 149 N HA 0.241 4.975 4.740 -0.011 0.000 0.234 149 N C 0.315 175.930 175.510 0.174 0.000 1.066 149 N CA -0.343 52.798 53.050 0.153 0.000 0.926 149 N CB 0.725 39.267 38.487 0.091 0.000 1.176 149 N HN 0.767 nan 8.380 nan 0.000 0.506 150 F N 2.613 122.612 119.950 0.082 0.000 2.115 150 F HA -0.328 4.192 4.527 -0.011 0.000 0.300 150 F C 2.527 178.353 175.800 0.044 0.000 1.092 150 F CA 2.128 60.156 58.000 0.046 0.000 1.245 150 F CB -0.204 38.746 39.000 -0.083 0.000 0.995 150 F HN 0.392 nan 8.300 nan 0.000 0.481 151 T N -1.394 113.194 114.554 0.056 0.000 2.684 151 T HA -0.290 4.053 4.350 -0.011 0.000 0.267 151 T C 1.675 176.318 174.700 -0.095 0.000 1.036 151 T CA 1.645 63.722 62.100 -0.038 0.000 1.148 151 T CB -0.894 67.980 68.868 0.009 0.000 0.863 151 T HN 0.684 nan 8.240 nan 0.000 0.436 152 E N 0.816 120.991 120.200 -0.042 0.000 2.318 152 E HA -0.022 4.321 4.350 -0.011 0.000 0.193 152 E C 1.232 177.809 176.600 -0.039 0.000 0.998 152 E CA 0.720 57.100 56.400 -0.034 0.000 0.859 152 E CB -0.095 29.606 29.700 0.001 0.000 0.812 152 E HN 0.393 nan 8.360 nan 0.000 0.492 153 D N -0.765 119.616 120.400 -0.032 0.000 2.333 153 D HA 0.008 4.641 4.640 -0.011 0.000 0.208 153 D C 0.556 176.864 176.300 0.013 0.000 0.984 153 D CA 0.714 54.726 54.000 0.020 0.000 0.873 153 D CB 0.280 41.145 40.800 0.109 0.000 0.935 153 D HN 0.303 nan 8.370 nan 0.000 0.521 154 Y N -0.293 119.811 120.300 -0.327 0.000 3.189 154 Y HA 0.304 4.848 4.550 -0.011 0.000 0.213 154 Y C 1.976 177.648 175.900 -0.381 0.000 1.032 154 Y CA 0.585 58.462 58.100 -0.373 0.000 1.482 154 Y CB -0.231 37.895 38.460 -0.556 0.000 1.460 154 Y HN -0.153 nan 8.280 nan 0.000 0.398 155 A N 1.003 123.504 122.820 -0.532 0.000 1.927 155 A HA -0.253 4.061 4.320 -0.011 0.000 0.220 155 A C 1.805 179.319 177.584 -0.117 0.000 1.185 155 A CA 2.567 54.467 52.037 -0.229 0.000 0.639 155 A CB -0.658 18.233 19.000 -0.183 0.000 0.820 155 A HN 0.704 nan 8.150 nan 0.000 0.451 156 E N -0.976 119.143 120.200 -0.136 0.000 2.030 156 E HA -0.075 4.268 4.350 -0.011 0.000 0.189 156 E C -0.509 176.041 176.600 -0.083 0.000 0.974 156 E CA 0.759 57.110 56.400 -0.082 0.000 0.807 156 E CB -0.587 29.077 29.700 -0.061 0.000 0.771 156 E HN 0.514 nan 8.360 nan 0.000 0.451 157 P HA -0.202 nan 4.420 nan 0.000 0.216 157 P C 1.345 178.594 177.300 -0.085 0.000 1.150 157 P CA 1.161 64.212 63.100 -0.081 0.000 0.837 157 P CB -0.048 31.609 31.700 -0.070 0.000 0.786 158 F N 2.592 122.313 119.950 -0.382 0.000 2.031 158 F HA -0.043 4.478 4.527 -0.010 0.000 0.295 158 F C -0.828 174.872 175.800 -0.168 0.000 1.133 158 F CA 1.549 59.314 58.000 -0.392 0.000 1.188 158 F CB -1.977 36.541 39.000 -0.803 0.000 0.974 158 F HN -0.029 nan 8.300 nan 0.000 0.473 159 P HA -0.102 nan 4.420 nan 0.000 0.217 159 P C 2.109 179.325 177.300 -0.140 0.000 1.151 159 P CA 1.842 64.760 63.100 -0.303 0.000 0.828 159 P CB -0.073 31.564 31.700 -0.105 0.000 0.788 160 I N -0.807 119.719 120.570 -0.074 0.000 2.252 160 I HA -0.199 3.965 4.170 -0.011 0.000 0.245 160 I C 2.481 178.620 176.117 0.035 0.000 1.102 160 I CA 1.375 62.683 61.300 0.014 0.000 1.385 160 I CB -0.386 37.616 38.000 0.002 0.000 1.064 160 I HN -0.149 nan 8.210 nan 0.000 0.414 161 R N 0.586 121.067 120.500 -0.032 0.000 2.115 161 R HA -0.080 4.254 4.340 -0.011 0.000 0.230 161 R C 2.290 178.556 176.300 -0.056 0.000 1.111 161 R CA 1.202 57.283 56.100 -0.032 0.000 0.976 161 R CB -0.237 30.045 30.300 -0.031 0.000 0.870 161 R HN 0.368 nan 8.270 nan 0.000 0.445 162 I N -0.072 120.434 120.570 -0.108 0.000 2.252 162 I HA -0.275 3.889 4.170 -0.011 0.000 0.245 162 I C 2.154 178.242 176.117 -0.048 0.000 1.102 162 I CA 1.119 62.349 61.300 -0.118 0.000 1.385 162 I CB -0.231 37.626 38.000 -0.239 0.000 1.064 162 I HN 0.092 nan 8.210 nan 0.000 0.414 163 F N 1.532 121.411 119.950 -0.117 0.000 2.113 163 F HA -0.228 4.292 4.527 -0.012 0.000 0.297 163 F C 2.487 178.259 175.800 -0.048 0.000 1.103 163 F CA 1.607 59.561 58.000 -0.077 0.000 1.248 163 F CB -0.202 38.753 39.000 -0.074 0.000 0.999 163 F HN -0.092 nan 8.300 nan 0.000 0.475 164 M N 0.056 119.523 119.600 -0.222 0.000 2.159 164 M HA -0.181 4.293 4.480 -0.011 0.000 0.263 164 M C 2.308 178.456 176.300 -0.254 0.000 1.063 164 M CA 1.077 56.212 55.300 -0.276 0.000 1.110 164 M CB -1.482 31.087 32.600 -0.052 0.000 1.374 164 M HN 0.289 nan 8.290 nan 0.000 0.411 165 L N 0.471 121.590 121.223 -0.175 0.000 2.027 165 L HA -0.169 4.165 4.340 -0.011 0.000 0.206 165 L C 2.413 179.185 176.870 -0.164 0.000 1.074 165 L CA 1.572 56.335 54.840 -0.129 0.000 0.745 165 L CB -1.086 40.922 42.059 -0.084 0.000 0.898 165 L HN 0.274 nan 8.230 nan 0.000 0.433 166 L N 0.742 121.842 121.223 -0.204 0.000 2.012 166 L HA -0.125 4.209 4.340 -0.011 0.000 0.210 166 L C 2.299 179.018 176.870 -0.250 0.000 1.073 166 L CA 2.279 57.004 54.840 -0.192 0.000 0.748 166 L CB -0.760 41.202 42.059 -0.161 0.000 0.891 166 L HN 0.219 nan 8.230 nan 0.000 0.431 167 A N -0.938 121.609 122.820 -0.455 0.000 2.251 167 A HA 0.376 4.690 4.320 -0.011 0.000 0.209 167 A C 1.589 179.037 177.584 -0.227 0.000 1.187 167 A CA 0.493 52.288 52.037 -0.402 0.000 0.823 167 A CB -1.093 17.465 19.000 -0.737 0.000 0.846 167 A HN 0.936 nan 8.150 nan 0.000 0.486 168 G N -0.460 108.227 108.800 -0.189 0.000 2.295 168 G HA2 -0.216 3.738 3.960 -0.011 0.000 0.287 168 G HA3 -0.216 3.738 3.960 -0.011 0.000 0.287 168 G C -0.141 174.713 174.900 -0.076 0.000 1.055 168 G CA 0.621 45.656 45.100 -0.108 0.000 0.922 168 G HN 0.493 nan 8.290 nan 0.000 0.503 169 L N 0.555 121.730 121.223 -0.080 0.000 2.334 169 L HA 0.548 4.882 4.340 -0.011 0.000 0.273 169 L C -1.604 175.277 176.870 0.017 0.000 1.013 169 L CA -2.506 52.338 54.840 0.007 0.000 0.816 169 L CB 2.035 44.134 42.059 0.067 0.000 1.278 169 L HN -0.026 nan 8.230 nan 0.000 0.431 170 P HA 0.058 nan 4.420 nan 0.000 0.271 170 P C -0.036 177.292 177.300 0.047 0.000 1.220 170 P CA -0.079 63.047 63.100 0.043 0.000 0.768 170 P CB 1.075 32.806 31.700 0.053 0.000 0.848 171 E N 1.697 121.913 120.200 0.027 0.000 2.209 171 E HA -0.213 4.131 4.350 -0.011 0.000 0.196 171 E C 1.583 178.202 176.600 0.033 0.000 0.993 171 E CA 1.198 57.613 56.400 0.025 0.000 0.819 171 E CB 0.098 29.807 29.700 0.014 0.000 0.745 171 E HN 0.658 nan 8.360 nan 0.000 0.477 172 E N 0.432 120.654 120.200 0.036 0.000 2.472 172 E HA -0.172 4.172 4.350 -0.011 0.000 0.200 172 E C 0.632 177.262 176.600 0.050 0.000 1.046 172 E CA 0.854 57.276 56.400 0.036 0.000 0.871 172 E CB 0.094 29.813 29.700 0.031 0.000 0.806 172 E HN 0.148 nan 8.360 nan 0.000 0.533 173 D N 0.796 121.236 120.400 0.067 0.000 2.349 173 D HA 0.107 4.740 4.640 -0.011 0.000 0.215 173 D C 1.745 178.069 176.300 0.040 0.000 1.016 173 D CA 0.108 54.154 54.000 0.078 0.000 0.870 173 D CB 0.054 40.932 40.800 0.132 0.000 0.917 173 D HN 0.274 nan 8.370 nan 0.000 0.524 174 I N 1.475 122.067 120.570 0.037 0.000 2.118 174 I HA -0.229 3.935 4.170 -0.011 0.000 0.241 174 I C -0.579 175.552 176.117 0.024 0.000 1.070 174 I CA 1.321 62.635 61.300 0.023 0.000 1.327 174 I CB -1.294 36.721 38.000 0.025 0.000 1.034 174 I HN 0.006 nan 8.210 nan 0.000 0.405 175 P HA -0.233 nan 4.420 nan 0.000 0.216 175 P C 1.498 178.851 177.300 0.089 0.000 1.157 175 P CA 1.732 64.865 63.100 0.055 0.000 0.880 175 P CB -0.073 31.655 31.700 0.047 0.000 0.791 176 H N -0.632 118.431 119.070 -0.011 0.000 2.326 176 H HA -0.023 4.527 4.556 -0.011 0.000 0.301 176 H C 1.820 177.136 175.328 -0.021 0.000 1.081 176 H CA 1.449 57.492 56.048 -0.009 0.000 1.334 176 H CB -1.017 28.718 29.762 -0.045 0.000 1.385 176 H HN -0.050 nan 8.280 nan 0.000 0.504 177 L N -0.044 121.062 121.223 -0.195 0.000 2.083 177 L HA -0.140 4.194 4.340 -0.011 0.000 0.209 177 L C 2.502 179.260 176.870 -0.188 0.000 1.083 177 L CA 1.590 56.255 54.840 -0.291 0.000 0.752 177 L CB -0.417 41.496 42.059 -0.243 0.000 0.899 177 L HN 0.221 nan 8.230 nan 0.000 0.433 178 K N -0.089 120.257 120.400 -0.091 0.000 2.097 178 K HA -0.242 4.072 4.320 -0.011 0.000 0.206 178 K C 2.084 178.650 176.600 -0.056 0.000 1.049 178 K CA 1.478 57.728 56.287 -0.061 0.000 0.933 178 K CB -0.533 31.957 32.500 -0.015 0.000 0.717 178 K HN 0.210 nan 8.250 nan 0.000 0.442 179 Y N 0.769 120.992 120.300 -0.129 0.000 2.133 179 Y HA -0.111 4.432 4.550 -0.011 0.000 0.287 179 Y C 1.637 177.450 175.900 -0.145 0.000 1.134 179 Y CA 1.846 59.880 58.100 -0.112 0.000 1.133 179 Y CB -0.272 38.133 38.460 -0.093 0.000 0.987 179 Y HN 0.001 nan 8.280 nan 0.000 0.502 180 L N -0.888 120.173 121.223 -0.271 0.000 2.042 180 L HA -0.277 4.057 4.340 -0.011 0.000 0.210 180 L C 2.332 179.017 176.870 -0.308 0.000 1.076 180 L CA 1.954 56.593 54.840 -0.334 0.000 0.749 180 L CB -1.076 40.786 42.059 -0.329 0.000 0.893 180 L HN 0.227 nan 8.230 nan 0.000 0.432 181 T N -0.941 113.471 114.554 -0.238 0.000 2.708 181 T HA -0.184 4.160 4.350 -0.011 0.000 0.266 181 T C 1.410 176.031 174.700 -0.131 0.000 1.037 181 T CA 1.589 63.592 62.100 -0.162 0.000 1.146 181 T CB -0.274 68.512 68.868 -0.137 0.000 0.865 181 T HN 0.299 nan 8.240 nan 0.000 0.435 182 D N 0.948 121.244 120.400 -0.174 0.000 2.263 182 D HA -0.058 4.576 4.640 -0.011 0.000 0.208 182 D C 2.284 178.485 176.300 -0.166 0.000 0.971 182 D CA 0.641 54.558 54.000 -0.140 0.000 0.867 182 D CB -0.189 40.521 40.800 -0.150 0.000 0.929 182 D HN 0.274 nan 8.370 nan 0.000 0.492 183 Q N -0.664 118.963 119.800 -0.288 0.000 2.378 183 Q HA 0.096 4.430 4.340 -0.011 0.000 0.205 183 Q C 1.909 177.858 176.000 -0.085 0.000 0.954 183 Q CA 0.443 56.097 55.803 -0.248 0.000 0.901 183 Q CB -0.080 28.440 28.738 -0.362 0.000 0.981 183 Q HN 0.444 nan 8.270 nan 0.000 0.483 184 M N -0.431 119.150 119.600 -0.031 0.000 2.514 184 M HA -0.019 4.455 4.480 -0.011 0.000 0.258 184 M C 1.559 178.114 176.300 0.424 0.000 1.119 184 M CA 1.332 56.762 55.300 0.216 0.000 1.111 184 M CB 0.243 32.905 32.600 0.104 0.000 1.390 184 M HN 0.196 nan 8.290 nan 0.000 0.475 185 T N -2.567 112.124 114.554 0.228 0.000 3.026 185 T HA 0.224 4.568 4.350 -0.011 0.000 0.245 185 T C 1.051 175.886 174.700 0.226 0.000 1.004 185 T CA -0.209 62.017 62.100 0.210 0.000 1.069 185 T CB 0.261 69.214 68.868 0.142 0.000 1.005 185 T HN 0.234 nan 8.240 nan 0.000 0.472 186 R N 2.213 122.796 120.500 0.138 0.000 2.638 186 R HA 0.312 4.646 4.340 -0.011 0.000 0.261 186 R C -2.967 173.341 176.300 0.015 0.000 1.515 186 R CA -1.537 54.647 56.100 0.141 0.000 1.623 186 R CB 1.235 31.608 30.300 0.123 0.000 1.347 186 R HN 0.360 nan 8.270 nan 0.000 0.705 187 P HA -0.072 nan 4.420 nan 0.000 0.264 187 P C -0.262 176.989 177.300 -0.082 0.000 1.183 187 P CA 0.391 63.426 63.100 -0.108 0.000 0.763 187 P CB 0.833 32.449 31.700 -0.141 0.000 0.807 188 D N 1.229 121.596 120.400 -0.055 0.000 2.339 188 D HA 0.091 4.725 4.640 -0.011 0.000 0.217 188 D C 1.412 177.709 176.300 -0.004 0.000 1.050 188 D CA 0.522 54.518 54.000 -0.005 0.000 0.856 188 D CB -0.355 40.474 40.800 0.048 0.000 0.922 188 D HN 0.626 nan 8.370 nan 0.000 0.518 189 G N 0.148 108.933 108.800 -0.026 0.000 2.213 189 G HA2 -0.347 3.607 3.960 -0.011 0.000 0.226 189 G HA3 -0.347 3.607 3.960 -0.011 0.000 0.226 189 G C 1.250 176.155 174.900 0.008 0.000 0.992 189 G CA 0.684 45.774 45.100 -0.018 0.000 0.632 189 G HN 0.642 nan 8.290 nan 0.000 0.511 190 S N -0.637 115.086 115.700 0.038 0.000 2.436 190 S HA 0.489 4.952 4.470 -0.011 0.000 0.228 190 S C 0.994 175.627 174.600 0.055 0.000 1.014 190 S CA 1.122 59.360 58.200 0.064 0.000 0.950 190 S CB 0.086 63.361 63.200 0.126 0.000 0.784 190 S HN 0.526 nan 8.310 nan 0.000 0.504 191 M N 2.102 121.719 119.600 0.029 0.000 2.446 191 M HA 0.346 4.820 4.480 -0.011 0.000 0.294 191 M C -0.519 175.775 176.300 -0.011 0.000 1.158 191 M CA -0.588 54.717 55.300 0.009 0.000 0.899 191 M CB 2.602 35.200 32.600 -0.002 0.000 1.687 191 M HN 0.244 nan 8.290 nan 0.000 0.455 192 T N -1.340 113.218 114.554 0.005 0.000 2.849 192 T HA 0.271 4.614 4.350 -0.011 0.000 0.284 192 T C 0.729 175.459 174.700 0.050 0.000 1.004 192 T CA -0.494 61.628 62.100 0.037 0.000 1.021 192 T CB 0.870 69.768 68.868 0.051 0.000 1.013 192 T HN 0.571 nan 8.240 nan 0.000 0.527 193 F N 1.679 121.613 119.950 -0.026 0.000 2.126 193 F HA 0.018 4.538 4.527 -0.011 0.000 0.299 193 F C 2.565 178.325 175.800 -0.067 0.000 1.096 193 F CA 1.804 59.790 58.000 -0.024 0.000 1.255 193 F CB -1.028 37.991 39.000 0.033 0.000 0.997 193 F HN 0.755 nan 8.300 nan 0.000 0.479 194 A N 0.034 122.979 122.820 0.209 0.000 1.917 194 A HA -0.251 4.063 4.320 -0.011 0.000 0.219 194 A C 2.129 179.681 177.584 -0.053 0.000 1.182 194 A CA 2.097 54.187 52.037 0.087 0.000 0.633 194 A CB -0.936 18.121 19.000 0.096 0.000 0.819 194 A HN 0.592 nan 8.150 nan 0.000 0.448 195 E N -0.536 119.637 120.200 -0.045 0.000 2.072 195 E HA -0.041 4.303 4.350 -0.011 0.000 0.191 195 E C 2.322 178.851 176.600 -0.118 0.000 0.985 195 E CA 0.848 57.216 56.400 -0.053 0.000 0.801 195 E CB -0.260 29.431 29.700 -0.015 0.000 0.750 195 E HN 0.627 nan 8.360 nan 0.000 0.452 196 A N 1.639 124.336 122.820 -0.206 0.000 1.930 196 A HA -0.213 4.101 4.320 -0.011 0.000 0.217 196 A C 2.050 179.408 177.584 -0.377 0.000 1.175 196 A CA 1.486 53.354 52.037 -0.281 0.000 0.627 196 A CB -0.324 18.459 19.000 -0.362 0.000 0.815 196 A HN 0.055 nan 8.150 nan 0.000 0.443 197 K N -0.190 119.891 120.400 -0.533 0.000 2.026 197 K HA -0.204 4.110 4.320 -0.011 0.000 0.208 197 K C 2.069 178.360 176.600 -0.514 0.000 1.048 197 K CA 1.662 57.553 56.287 -0.659 0.000 0.929 197 K CB -0.206 31.889 32.500 -0.675 0.000 0.713 197 K HN 0.605 nan 8.250 nan 0.000 0.439 198 E N -0.138 119.916 120.200 -0.244 0.000 2.085 198 E HA -0.216 4.127 4.350 -0.011 0.000 0.194 198 E C 1.748 178.345 176.600 -0.006 0.000 0.994 198 E CA 1.188 57.553 56.400 -0.059 0.000 0.801 198 E CB -0.126 29.570 29.700 -0.007 0.000 0.743 198 E HN 0.447 nan 8.360 nan 0.000 0.453 199 A N 0.764 123.561 122.820 -0.039 0.000 1.930 199 A HA -0.142 4.172 4.320 -0.011 0.000 0.217 199 A C 2.096 179.720 177.584 0.067 0.000 1.175 199 A CA 1.042 53.104 52.037 0.042 0.000 0.627 199 A CB -0.553 18.467 19.000 0.033 0.000 0.815 199 A HN 0.357 nan 8.150 nan 0.000 0.443 200 L N -1.477 119.708 121.223 -0.064 0.000 2.046 200 L HA -0.132 4.202 4.340 -0.011 0.000 0.208 200 L C 2.250 179.241 176.870 0.202 0.000 1.077 200 L CA 1.823 56.654 54.840 -0.015 0.000 0.747 200 L CB -0.715 41.244 42.059 -0.167 0.000 0.896 200 L HN 0.474 nan 8.230 nan 0.000 0.432 201 Y N -0.727 119.632 120.300 0.098 0.000 2.314 201 Y HA -0.161 4.382 4.550 -0.011 0.000 0.293 201 Y C 2.462 178.422 175.900 0.100 0.000 1.129 201 Y CA 0.923 59.080 58.100 0.095 0.000 1.201 201 Y CB -1.007 37.484 38.460 0.053 0.000 0.999 201 Y HN 0.357 nan 8.280 nan 0.000 0.541 202 D N -0.981 119.577 120.400 0.263 0.000 2.149 202 D HA -0.256 4.378 4.640 -0.011 0.000 0.198 202 D C 2.108 178.530 176.300 0.203 0.000 0.990 202 D CA 1.178 55.292 54.000 0.190 0.000 0.839 202 D CB -0.310 40.587 40.800 0.163 0.000 0.948 202 D HN 0.356 nan 8.370 nan 0.000 0.460 203 Y N 0.304 120.684 120.300 0.132 0.000 2.184 203 Y HA 0.023 4.566 4.550 -0.011 0.000 0.290 203 Y C 1.963 177.926 175.900 0.105 0.000 1.129 203 Y CA 1.303 59.476 58.100 0.121 0.000 1.144 203 Y CB -0.171 38.380 38.460 0.153 0.000 0.995 203 Y HN -0.018 nan 8.280 nan 0.000 0.513 204 L N -0.451 120.908 121.223 0.227 0.000 2.072 204 L HA -0.168 4.165 4.340 -0.011 0.000 0.205 204 L C 2.363 179.244 176.870 0.019 0.000 1.079 204 L CA 1.046 55.954 54.840 0.114 0.000 0.752 204 L CB -0.552 41.657 42.059 0.250 0.000 0.906 204 L HN 0.253 nan 8.230 nan 0.000 0.436 205 I N 0.503 121.098 120.570 0.042 0.000 2.113 205 I HA -0.283 3.880 4.170 -0.011 0.000 0.242 205 I C -0.173 175.925 176.117 -0.032 0.000 1.057 205 I CA 1.841 63.138 61.300 -0.005 0.000 1.314 205 I CB -1.772 36.232 38.000 0.006 0.000 1.022 205 I HN 0.271 nan 8.210 nan 0.000 0.408 206 P HA -0.150 nan 4.420 nan 0.000 0.217 206 P C 1.877 179.129 177.300 -0.080 0.000 1.150 206 P CA 1.762 64.825 63.100 -0.062 0.000 0.832 206 P CB -0.108 31.550 31.700 -0.071 0.000 0.787 207 I N -0.588 119.910 120.570 -0.119 0.000 2.315 207 I HA -0.178 3.986 4.170 -0.011 0.000 0.248 207 I C 2.412 178.490 176.117 -0.065 0.000 1.117 207 I CA 0.977 62.207 61.300 -0.117 0.000 1.404 207 I CB -0.544 37.349 38.000 -0.178 0.000 1.071 207 I HN -0.154 nan 8.210 nan 0.000 0.419 208 I N 0.727 121.269 120.570 -0.046 0.000 2.252 208 I HA -0.227 3.937 4.170 -0.011 0.000 0.245 208 I C 2.576 178.677 176.117 -0.028 0.000 1.102 208 I CA 1.454 62.738 61.300 -0.027 0.000 1.385 208 I CB -1.216 36.772 38.000 -0.020 0.000 1.064 208 I HN 0.265 nan 8.210 nan 0.000 0.414 209 E N 1.297 121.478 120.200 -0.032 0.000 2.072 209 E HA -0.262 4.082 4.350 -0.011 0.000 0.191 209 E C 2.218 178.802 176.600 -0.027 0.000 0.985 209 E CA 1.535 57.919 56.400 -0.027 0.000 0.801 209 E CB -0.299 29.385 29.700 -0.027 0.000 0.750 209 E HN 0.487 nan 8.360 nan 0.000 0.452 210 Q N -0.010 119.770 119.800 -0.035 0.000 2.084 210 Q HA -0.140 4.194 4.340 -0.011 0.000 0.202 210 Q C 1.975 177.957 176.000 -0.029 0.000 0.978 210 Q CA 1.512 57.295 55.803 -0.034 0.000 0.844 210 Q CB -0.027 28.685 28.738 -0.043 0.000 0.898 210 Q HN 0.185 nan 8.270 nan 0.000 0.426 211 R N -0.592 119.890 120.500 -0.030 0.000 2.307 211 R HA 0.046 4.380 4.340 -0.011 0.000 0.199 211 R C 1.979 178.268 176.300 -0.018 0.000 1.000 211 R CA 0.417 56.502 56.100 -0.025 0.000 1.023 211 R CB 0.163 30.447 30.300 -0.026 0.000 0.908 211 R HN 0.183 nan 8.270 nan 0.000 0.473 212 R N 0.444 120.934 120.500 -0.017 0.000 2.189 212 R HA -0.055 4.279 4.340 -0.011 0.000 0.203 212 R C 2.181 178.473 176.300 -0.013 0.000 1.012 212 R CA 0.861 56.953 56.100 -0.013 0.000 1.015 212 R CB 0.267 30.560 30.300 -0.012 0.000 0.938 212 R HN 0.315 nan 8.270 nan 0.000 0.472 213 Q N 0.204 119.994 119.800 -0.015 0.000 2.204 213 Q HA 0.000 4.334 4.340 -0.011 0.000 0.198 213 Q C 0.643 176.634 176.000 -0.014 0.000 0.946 213 Q CA 0.982 56.776 55.803 -0.014 0.000 0.859 213 Q CB 0.287 29.015 28.738 -0.015 0.000 0.946 213 Q HN -0.118 nan 8.270 nan 0.000 0.474 214 K N 1.566 121.956 120.400 -0.016 0.000 2.753 214 K HA 0.381 4.694 4.320 -0.011 0.000 0.185 214 K C -2.714 173.875 176.600 -0.017 0.000 1.071 214 K CA -2.338 53.939 56.287 -0.016 0.000 0.999 214 K CB 1.357 33.846 32.500 -0.018 0.000 1.244 214 K HN -0.011 nan 8.250 nan 0.000 0.594 215 P HA 0.041 nan 4.420 nan 0.000 0.267 215 P C -0.186 177.104 177.300 -0.017 0.000 1.200 215 P CA -0.011 63.080 63.100 -0.015 0.000 0.772 215 P CB 1.105 32.797 31.700 -0.012 0.000 0.855 216 G N -0.167 108.622 108.800 -0.019 0.000 3.211 216 G HA2 0.475 4.429 3.960 -0.011 0.000 0.262 216 G HA3 0.475 4.429 3.960 -0.011 0.000 0.262 216 G C 0.341 175.229 174.900 -0.021 0.000 1.352 216 G CA -0.253 44.834 45.100 -0.021 0.000 1.004 216 G HN 0.405 nan 8.290 nan 0.000 0.559 217 T N -2.122 112.418 114.554 -0.023 0.000 3.086 217 T HA 0.173 4.517 4.350 -0.011 0.000 0.250 217 T C 0.514 175.197 174.700 -0.029 0.000 1.074 217 T CA 0.553 62.640 62.100 -0.023 0.000 0.988 217 T CB -0.472 68.383 68.868 -0.021 0.000 0.988 217 T HN 0.631 nan 8.240 nan 0.000 0.530 218 D N 1.084 121.462 120.400 -0.037 0.000 2.360 218 D HA 0.523 5.157 4.640 -0.011 0.000 0.242 218 D C 1.662 177.935 176.300 -0.045 0.000 1.184 218 D CA -0.177 53.791 54.000 -0.053 0.000 0.930 218 D CB 0.786 41.547 40.800 -0.066 0.000 1.161 218 D HN 0.024 nan 8.370 nan 0.000 0.447 219 A N 1.041 123.825 122.820 -0.060 0.000 1.908 219 A HA -0.186 4.128 4.320 -0.011 0.000 0.218 219 A C 2.186 179.764 177.584 -0.010 0.000 1.181 219 A CA 1.332 53.350 52.037 -0.032 0.000 0.627 219 A CB -1.016 17.960 19.000 -0.039 0.000 0.818 219 A HN 0.703 nan 8.150 nan 0.000 0.445 220 I N -0.440 120.117 120.570 -0.022 0.000 2.252 220 I HA -0.209 3.955 4.170 -0.011 0.000 0.245 220 I C 2.657 178.773 176.117 -0.002 0.000 1.102 220 I CA 1.373 62.674 61.300 0.001 0.000 1.385 220 I CB -0.316 37.682 38.000 -0.004 0.000 1.064 220 I HN 0.236 nan 8.210 nan 0.000 0.414 221 S N 0.985 116.677 115.700 -0.014 0.000 2.356 221 S HA -0.122 4.341 4.470 -0.011 0.000 0.223 221 S C 2.015 176.613 174.600 -0.004 0.000 1.032 221 S CA 1.273 59.466 58.200 -0.012 0.000 1.005 221 S CB -0.305 62.884 63.200 -0.018 0.000 0.867 221 S HN 0.324 nan 8.310 nan 0.000 0.449 222 I N 1.103 121.671 120.570 -0.003 0.000 2.163 222 I HA -0.168 3.996 4.170 -0.011 0.000 0.243 222 I C 2.187 178.313 176.117 0.014 0.000 1.085 222 I CA 1.032 62.334 61.300 0.003 0.000 1.347 222 I CB -0.521 37.481 38.000 0.003 0.000 1.044 222 I HN 0.155 nan 8.210 nan 0.000 0.408 223 V N 0.955 120.883 119.914 0.023 0.000 2.358 223 V HA -0.244 3.869 4.120 -0.011 0.000 0.246 223 V C 2.704 178.820 176.094 0.036 0.000 1.047 223 V CA 1.892 64.216 62.300 0.039 0.000 1.035 223 V CB -0.940 30.913 31.823 0.051 0.000 0.658 223 V HN 0.490 nan 8.190 nan 0.000 0.452 224 A N 0.399 123.233 122.820 0.023 0.000 1.972 224 A HA -0.212 4.102 4.320 -0.011 0.000 0.219 224 A C 1.749 179.340 177.584 0.012 0.000 1.169 224 A CA 2.236 54.282 52.037 0.016 0.000 0.635 224 A CB -0.601 18.402 19.000 0.004 0.000 0.810 224 A HN 0.678 nan 8.150 nan 0.000 0.446 225 N N -0.731 117.974 118.700 0.009 0.000 2.238 225 N HA 0.318 5.052 4.740 -0.011 0.000 0.222 225 N C 0.634 176.147 175.510 0.005 0.000 1.133 225 N CA 0.374 53.426 53.050 0.004 0.000 0.854 225 N CB 0.673 39.159 38.487 -0.002 0.000 1.041 225 N HN 0.423 nan 8.380 nan 0.000 0.510 226 G N -0.103 108.705 108.800 0.012 0.000 2.616 226 G HA2 0.330 4.284 3.960 -0.011 0.000 0.268 226 G HA3 0.330 4.284 3.960 -0.011 0.000 0.268 226 G C -0.442 174.458 174.900 0.000 0.000 1.213 226 G CA -0.299 44.807 45.100 0.009 0.000 0.926 226 G HN 0.118 nan 8.290 nan 0.000 0.523 227 Q N -1.462 118.328 119.800 -0.016 0.000 2.365 227 Q HA 0.506 4.840 4.340 -0.011 0.000 0.269 227 Q C -0.854 175.103 176.000 -0.073 0.000 1.061 227 Q CA -0.895 54.886 55.803 -0.037 0.000 0.816 227 Q CB 2.808 31.524 28.738 -0.036 0.000 1.325 227 Q HN 0.500 nan 8.270 nan 0.000 0.446 228 V N -0.007 119.835 119.914 -0.120 0.000 2.376 228 V HA 0.454 4.568 4.120 -0.011 0.000 0.287 228 V C -0.405 175.568 176.094 -0.201 0.000 1.015 228 V CA -0.985 61.176 62.300 -0.232 0.000 0.834 228 V CB 1.077 32.624 31.823 -0.460 0.000 1.001 228 V HN 0.857 nan 8.190 nan 0.000 0.428 229 N N 3.713 122.314 118.700 -0.164 0.000 2.725 229 N HA -0.160 4.574 4.740 -0.011 0.000 0.251 229 N C 1.303 176.760 175.510 -0.088 0.000 1.031 229 N CA 2.043 55.020 53.050 -0.122 0.000 0.720 229 N CB -1.189 37.214 38.487 -0.139 0.000 0.930 229 N HN 1.961 nan 8.380 nan 0.000 0.543 230 G N -1.865 106.891 108.800 -0.073 0.000 2.225 230 G HA2 -0.379 3.575 3.960 -0.011 0.000 0.254 230 G HA3 -0.379 3.575 3.960 -0.011 0.000 0.254 230 G C 0.086 174.957 174.900 -0.047 0.000 0.988 230 G CA 0.832 45.901 45.100 -0.052 0.000 0.625 230 G HN 0.871 nan 8.290 nan 0.000 0.527 231 R N -0.074 120.392 120.500 -0.057 0.000 2.832 231 R HA 0.772 5.105 4.340 -0.011 0.000 0.271 231 R C -3.205 173.073 176.300 -0.037 0.000 0.996 231 R CA -2.728 53.346 56.100 -0.042 0.000 0.977 231 R CB 0.018 30.294 30.300 -0.039 0.000 1.168 231 R HN 0.075 nan 8.270 nan 0.000 0.482 232 P HA 0.050 nan 4.420 nan 0.000 0.268 232 P C -0.340 176.963 177.300 0.004 0.000 1.204 232 P CA -0.120 62.975 63.100 -0.009 0.000 0.768 232 P CB 0.476 32.174 31.700 -0.004 0.000 0.842 233 I N 2.698 123.278 120.570 0.018 0.000 2.696 233 I HA 0.127 4.291 4.170 -0.011 0.000 0.284 233 I C 0.694 176.842 176.117 0.052 0.000 1.129 233 I CA -0.041 61.294 61.300 0.059 0.000 1.410 233 I CB 0.883 38.933 38.000 0.083 0.000 1.399 233 I HN 0.384 nan 8.210 nan 0.000 0.579 234 T N 2.211 116.805 114.554 0.068 0.000 2.874 234 T HA 0.211 4.555 4.350 -0.011 0.000 0.281 234 T C 1.016 175.728 174.700 0.021 0.000 0.994 234 T CA -0.489 61.633 62.100 0.037 0.000 1.015 234 T CB 1.588 70.478 68.868 0.036 0.000 1.028 234 T HN 0.657 nan 8.240 nan 0.000 0.523 235 S N 0.442 116.142 115.700 -0.000 0.000 2.370 235 S HA -0.134 4.330 4.470 -0.011 0.000 0.226 235 S C 1.675 176.249 174.600 -0.044 0.000 1.033 235 S CA 1.714 59.903 58.200 -0.019 0.000 1.011 235 S CB -0.689 62.496 63.200 -0.025 0.000 0.852 235 S HN 0.986 nan 8.310 nan 0.000 0.457 236 D N 0.820 121.191 120.400 -0.049 0.000 2.097 236 D HA -0.146 4.488 4.640 -0.011 0.000 0.195 236 D C 1.911 178.157 176.300 -0.090 0.000 0.989 236 D CA 1.374 55.319 54.000 -0.090 0.000 0.827 236 D CB -0.094 40.665 40.800 -0.068 0.000 0.966 236 D HN 0.444 nan 8.370 nan 0.000 0.456 237 E N -0.062 120.120 120.200 -0.030 0.000 2.051 237 E HA -0.184 4.159 4.350 -0.011 0.000 0.192 237 E C 2.208 178.803 176.600 -0.008 0.000 0.991 237 E CA 1.011 57.400 56.400 -0.019 0.000 0.799 237 E CB -0.233 29.542 29.700 0.126 0.000 0.748 237 E HN 0.407 nan 8.360 nan 0.000 0.449 238 A N 1.712 124.543 122.820 0.019 0.000 1.908 238 A HA -0.270 4.043 4.320 -0.011 0.000 0.218 238 A C 2.075 179.657 177.584 -0.003 0.000 1.181 238 A CA 1.758 53.810 52.037 0.024 0.000 0.627 238 A CB -0.448 18.564 19.000 0.021 0.000 0.818 238 A HN 0.084 nan 8.150 nan 0.000 0.445 239 K N -0.378 119.985 120.400 -0.061 0.000 2.057 239 K HA -0.161 4.152 4.320 -0.011 0.000 0.207 239 K C 2.200 178.761 176.600 -0.065 0.000 1.049 239 K CA 1.537 57.755 56.287 -0.115 0.000 0.931 239 K CB -0.175 32.146 32.500 -0.298 0.000 0.714 239 K HN 0.465 nan 8.250 nan 0.000 0.440 240 R N -0.221 120.232 120.500 -0.078 0.000 2.148 240 R HA 0.005 4.338 4.340 -0.011 0.000 0.227 240 R C 2.328 178.717 176.300 0.148 0.000 1.103 240 R CA 1.292 57.457 56.100 0.108 0.000 0.983 240 R CB -0.072 30.229 30.300 0.001 0.000 0.874 240 R HN 0.285 nan 8.270 nan 0.000 0.451 241 M N -0.776 118.848 119.600 0.041 0.000 2.248 241 M HA -0.097 4.377 4.480 -0.011 0.000 0.265 241 M C 2.194 178.499 176.300 0.007 0.000 1.079 241 M CA 1.001 56.314 55.300 0.022 0.000 1.150 241 M CB -0.023 32.603 32.600 0.044 0.000 1.366 241 M HN 0.208 nan 8.290 nan 0.000 0.433 242 C N 0.583 119.910 119.300 0.044 0.000 2.419 242 C HA -0.050 4.404 4.460 -0.011 0.000 0.281 242 C C 2.835 177.838 174.990 0.021 0.000 1.336 242 C CA 1.050 60.106 59.018 0.064 0.000 1.770 242 C CB -1.708 26.090 27.740 0.097 0.000 1.929 242 C HN 0.748 nan 8.230 nan 0.000 0.509 243 G N 0.369 109.183 108.800 0.023 0.000 2.418 243 G HA2 -0.200 3.754 3.960 -0.011 0.000 0.217 243 G HA3 -0.200 3.754 3.960 -0.011 0.000 0.217 243 G C 1.505 175.909 174.900 -0.827 0.000 1.158 243 G CA 0.864 45.869 45.100 -0.159 0.000 0.771 243 G HN 0.463 nan 8.290 nan 0.000 0.545 244 L N 0.595 121.257 121.223 -0.935 0.000 2.083 244 L HA 0.096 4.430 4.340 -0.011 0.000 0.209 244 L C 2.668 179.292 176.870 -0.409 0.000 1.083 244 L CA 1.275 55.624 54.840 -0.818 0.000 0.752 244 L CB -0.366 41.463 42.059 -0.382 0.000 0.899 244 L HN 0.210 nan 8.230 nan 0.000 0.433 245 L N -1.496 119.586 121.223 -0.235 0.000 2.083 245 L HA -0.241 4.093 4.340 -0.011 0.000 0.209 245 L C 2.533 179.156 176.870 -0.412 0.000 1.083 245 L CA 1.211 55.967 54.840 -0.140 0.000 0.752 245 L CB -0.598 41.533 42.059 0.121 0.000 0.899 245 L HN 0.313 nan 8.230 nan 0.000 0.433 246 L N -0.825 120.213 121.223 -0.308 0.000 2.017 246 L HA -0.201 4.133 4.340 -0.011 0.000 0.208 246 L C 2.541 179.111 176.870 -0.500 0.000 1.073 246 L CA 0.982 55.565 54.840 -0.427 0.000 0.745 246 L CB -0.326 41.668 42.059 -0.109 0.000 0.894 246 L HN 0.038 nan 8.230 nan 0.000 0.432 247 V N -0.260 119.425 119.914 -0.382 0.000 2.295 247 V HA -0.304 3.810 4.120 -0.011 0.000 0.246 247 V C 2.693 178.644 176.094 -0.239 0.000 1.049 247 V CA 2.379 64.523 62.300 -0.260 0.000 1.024 247 V CB -1.075 30.633 31.823 -0.192 0.000 0.648 247 V HN 0.694 nan 8.190 nan 0.000 0.447 248 T N -1.661 112.731 114.554 -0.270 0.000 2.915 248 T HA -0.040 4.304 4.350 -0.011 0.000 0.269 248 T C 1.885 176.410 174.700 -0.292 0.000 1.071 248 T CA 1.359 63.340 62.100 -0.199 0.000 1.132 248 T CB -0.502 68.281 68.868 -0.143 0.000 0.878 248 T HN 0.477 nan 8.240 nan 0.000 0.479 249 G N 1.029 109.469 108.800 -0.600 0.000 2.430 249 G HA2 0.122 4.076 3.960 -0.011 0.000 0.216 249 G HA3 0.122 4.076 3.960 -0.011 0.000 0.216 249 G C 1.207 175.860 174.900 -0.413 0.000 1.146 249 G CA 0.318 44.977 45.100 -0.736 0.000 0.793 249 G HN 0.467 nan 8.290 nan 0.000 0.537 250 L N -0.273 120.728 121.223 -0.370 0.000 2.616 250 L HA 0.376 4.710 4.340 -0.011 0.000 0.229 250 L C 0.621 177.425 176.870 -0.111 0.000 1.110 250 L CA 0.628 55.355 54.840 -0.188 0.000 0.884 250 L CB 0.723 42.680 42.059 -0.169 0.000 1.115 250 L HN 0.061 nan 8.230 nan 0.000 0.481 251 D N -2.137 118.205 120.400 -0.098 0.000 2.785 251 D HA 0.109 4.743 4.640 -0.011 0.000 0.324 251 D C 1.079 177.380 176.300 0.001 0.000 1.523 251 D CA 0.811 54.790 54.000 -0.036 0.000 0.789 251 D CB 0.532 41.319 40.800 -0.022 0.000 1.171 251 D HN 0.222 nan 8.370 nan 0.000 0.447 252 T N -4.211 110.345 114.554 0.004 0.000 3.463 252 T HA 0.083 4.427 4.350 -0.011 0.000 0.203 252 T C 1.820 176.582 174.700 0.104 0.000 0.955 252 T CA 0.529 62.657 62.100 0.047 0.000 1.230 252 T CB -0.551 68.337 68.868 0.034 0.000 1.392 252 T HN -0.170 nan 8.240 nan 0.000 0.361 253 V N 2.431 122.408 119.914 0.105 0.000 2.392 253 V HA -0.159 3.955 4.120 -0.011 0.000 0.249 253 V C 2.934 179.144 176.094 0.193 0.000 1.059 253 V CA 1.637 64.049 62.300 0.187 0.000 1.051 253 V CB -1.021 30.893 31.823 0.150 0.000 0.658 253 V HN 0.443 nan 8.190 nan 0.000 0.455 254 V N 0.820 120.794 119.914 0.099 0.000 2.324 254 V HA -0.311 3.803 4.120 -0.011 0.000 0.250 254 V C 2.292 178.420 176.094 0.056 0.000 1.060 254 V CA 2.441 64.778 62.300 0.061 0.000 1.042 254 V CB -0.766 31.059 31.823 0.003 0.000 0.650 254 V HN 0.635 nan 8.190 nan 0.000 0.450 255 N N -0.826 117.910 118.700 0.060 0.000 2.207 255 N HA -0.087 4.646 4.740 -0.011 0.000 0.182 255 N C 1.780 177.314 175.510 0.040 0.000 1.020 255 N CA 1.374 54.416 53.050 -0.013 0.000 0.858 255 N CB -0.357 38.151 38.487 0.035 0.000 0.991 255 N HN 0.538 nan 8.380 nan 0.000 0.427 256 F N 2.313 122.330 119.950 0.111 0.000 2.171 256 F HA -0.058 4.463 4.527 -0.009 0.000 0.300 256 F C 2.130 178.017 175.800 0.145 0.000 1.090 256 F CA 0.937 59.059 58.000 0.203 0.000 1.293 256 F CB -0.138 38.938 39.000 0.128 0.000 1.013 256 F HN -0.087 nan 8.300 nan 0.000 0.486 257 L N -0.708 120.576 121.223 0.101 0.000 2.079 257 L HA -0.265 4.068 4.340 -0.011 0.000 0.210 257 L C 2.515 179.374 176.870 -0.019 0.000 1.081 257 L CA 1.486 56.375 54.840 0.082 0.000 0.752 257 L CB -0.927 41.339 42.059 0.346 0.000 0.896 257 L HN 0.093 nan 8.230 nan 0.000 0.433 258 S N -0.646 115.047 115.700 -0.013 0.000 2.383 258 S HA -0.090 4.374 4.470 -0.011 0.000 0.227 258 S C 1.762 176.148 174.600 -0.355 0.000 1.026 258 S CA 1.025 59.159 58.200 -0.109 0.000 0.981 258 S CB -0.258 62.869 63.200 -0.123 0.000 0.818 258 S HN 0.207 nan 8.310 nan 0.000 0.472 259 F N 2.237 121.943 119.950 -0.407 0.000 2.102 259 F HA -0.098 4.422 4.527 -0.011 0.000 0.298 259 F C 2.772 178.034 175.800 -0.896 0.000 1.105 259 F CA 0.916 58.535 58.000 -0.635 0.000 1.239 259 F CB -1.029 37.590 39.000 -0.635 0.000 0.991 259 F HN 0.100 nan 8.300 nan 0.000 0.474 260 S N -0.361 114.943 115.700 -0.660 0.000 2.356 260 S HA -0.183 4.280 4.470 -0.011 0.000 0.223 260 S C 2.112 176.501 174.600 -0.352 0.000 1.032 260 S CA 1.231 59.099 58.200 -0.555 0.000 1.005 260 S CB -0.264 62.627 63.200 -0.514 0.000 0.867 260 S HN 0.195 nan 8.310 nan 0.000 0.449 261 M N 1.211 120.522 119.600 -0.482 0.000 2.229 261 M HA -0.013 4.461 4.480 -0.011 0.000 0.264 261 M C 2.188 178.273 176.300 -0.358 0.000 1.063 261 M CA 1.089 56.031 55.300 -0.596 0.000 1.114 261 M CB -1.161 30.604 32.600 -1.392 0.000 1.387 261 M HN 0.444 nan 8.290 nan 0.000 0.420 262 E N -0.032 119.978 120.200 -0.317 0.000 2.051 262 E HA -0.238 4.106 4.350 -0.011 0.000 0.192 262 E C 2.001 178.535 176.600 -0.110 0.000 0.991 262 E CA 1.271 57.574 56.400 -0.161 0.000 0.799 262 E CB -0.207 29.441 29.700 -0.086 0.000 0.748 262 E HN 0.403 nan 8.360 nan 0.000 0.449 263 F N 0.720 120.492 119.950 -0.296 0.000 2.102 263 F HA -0.202 4.319 4.527 -0.010 0.000 0.298 263 F C 1.953 177.668 175.800 -0.142 0.000 1.105 263 F CA 0.918 58.796 58.000 -0.203 0.000 1.239 263 F CB -0.151 38.689 39.000 -0.267 0.000 0.991 263 F HN 0.075 nan 8.300 nan 0.000 0.474 264 L N 0.812 121.913 121.223 -0.204 0.000 2.083 264 L HA -0.120 4.214 4.340 -0.011 0.000 0.209 264 L C 2.691 179.304 176.870 -0.429 0.000 1.083 264 L CA 1.860 56.548 54.840 -0.252 0.000 0.752 264 L CB -1.683 40.398 42.059 0.038 0.000 0.899 264 L HN 0.287 nan 8.230 nan 0.000 0.433 265 A N -1.206 121.453 122.820 -0.268 0.000 2.015 265 A HA -0.187 4.126 4.320 -0.011 0.000 0.219 265 A C 2.181 179.588 177.584 -0.295 0.000 1.163 265 A CA 1.440 53.290 52.037 -0.312 0.000 0.646 265 A CB -0.341 18.698 19.000 0.065 0.000 0.806 265 A HN 0.429 nan 8.150 nan 0.000 0.448 266 K N -0.791 119.433 120.400 -0.294 0.000 2.404 266 K HA 0.145 4.458 4.320 -0.011 0.000 0.194 266 K C 0.179 176.580 176.600 -0.332 0.000 1.023 266 K CA 0.369 56.505 56.287 -0.252 0.000 1.094 266 K CB 0.348 32.743 32.500 -0.176 0.000 0.841 266 K HN 0.219 nan 8.250 nan 0.000 0.523 267 S N 1.279 116.693 115.700 -0.476 0.000 2.259 267 S HA 0.269 4.732 4.470 -0.011 0.000 0.181 267 S C -2.314 172.146 174.600 -0.233 0.000 1.589 267 S CA -1.752 56.208 58.200 -0.400 0.000 1.234 267 S CB 0.726 63.458 63.200 -0.780 0.000 1.119 267 S HN -0.119 nan 8.310 nan 0.000 0.458 268 P HA -0.106 nan 4.420 nan 0.000 0.216 268 P C 0.984 178.245 177.300 -0.065 0.000 1.150 268 P CA 1.120 64.140 63.100 -0.133 0.000 0.843 268 P CB 0.255 31.893 31.700 -0.104 0.000 0.787 269 E N -1.795 118.384 120.200 -0.036 0.000 2.110 269 E HA -0.195 4.149 4.350 -0.011 0.000 0.193 269 E C 1.884 178.450 176.600 -0.058 0.000 0.988 269 E CA 1.305 57.676 56.400 -0.048 0.000 0.804 269 E CB -0.894 28.764 29.700 -0.071 0.000 0.745 269 E HN 0.468 nan 8.360 nan 0.000 0.458 270 H N -0.440 118.599 119.070 -0.052 0.000 2.428 270 H HA 0.131 4.680 4.556 -0.011 0.000 0.296 270 H C 1.866 177.303 175.328 0.181 0.000 1.062 270 H CA 1.103 57.192 56.048 0.068 0.000 1.350 270 H CB 0.182 29.979 29.762 0.057 0.000 1.403 270 H HN -0.007 nan 8.280 nan 0.000 0.533 271 R N 0.297 120.885 120.500 0.146 0.000 2.066 271 R HA -0.161 4.173 4.340 -0.011 0.000 0.232 271 R C 2.258 178.612 176.300 0.090 0.000 1.131 271 R CA 1.389 57.544 56.100 0.092 0.000 0.955 271 R CB -0.214 30.046 30.300 -0.067 0.000 0.851 271 R HN 0.449 nan 8.270 nan 0.000 0.432 272 Q N 1.244 121.072 119.800 0.046 0.000 2.096 272 Q HA -0.253 4.081 4.340 -0.011 0.000 0.204 272 Q C 2.004 178.041 176.000 0.061 0.000 0.982 272 Q CA 1.913 57.738 55.803 0.036 0.000 0.850 272 Q CB -0.015 28.726 28.738 0.006 0.000 0.901 272 Q HN 0.372 nan 8.270 nan 0.000 0.422 273 E N 0.008 120.260 120.200 0.087 0.000 2.058 273 E HA -0.212 4.132 4.350 -0.011 0.000 0.194 273 E C 2.007 178.688 176.600 0.135 0.000 0.997 273 E CA 1.427 57.897 56.400 0.117 0.000 0.801 273 E CB -0.145 29.658 29.700 0.171 0.000 0.746 273 E HN 0.484 nan 8.360 nan 0.000 0.450 274 L N 0.438 121.759 121.223 0.164 0.000 2.291 274 L HA -0.071 4.263 4.340 -0.011 0.000 0.214 274 L C 2.370 179.284 176.870 0.072 0.000 1.120 274 L CA 0.384 55.285 54.840 0.101 0.000 0.799 274 L CB -0.200 41.912 42.059 0.088 0.000 0.925 274 L HN 0.249 nan 8.230 nan 0.000 0.446 275 I N -0.241 120.373 120.570 0.074 0.000 2.286 275 I HA -0.201 3.963 4.170 -0.011 0.000 0.245 275 I C 2.265 178.407 176.117 0.042 0.000 1.104 275 I CA 1.225 62.557 61.300 0.054 0.000 1.397 275 I CB -0.117 37.912 38.000 0.049 0.000 1.072 275 I HN 0.262 nan 8.210 nan 0.000 0.417 276 E N 0.914 121.139 120.200 0.043 0.000 2.216 276 E HA -0.020 4.324 4.350 -0.011 0.000 0.192 276 E C 0.532 177.154 176.600 0.036 0.000 0.988 276 E CA 0.554 56.975 56.400 0.034 0.000 0.834 276 E CB 0.173 29.892 29.700 0.031 0.000 0.772 276 E HN 0.437 nan 8.360 nan 0.000 0.479 277 R N 1.203 121.730 120.500 0.045 0.000 2.629 277 R HA 0.151 4.484 4.340 -0.011 0.000 0.277 277 R C -2.130 174.193 176.300 0.038 0.000 1.637 277 R CA -1.130 54.995 56.100 0.042 0.000 1.663 277 R CB 0.891 31.222 30.300 0.052 0.000 1.228 277 R HN 0.017 nan 8.270 nan 0.000 0.632 278 P HA -0.236 nan 4.420 nan 0.000 0.221 278 P C 0.833 178.142 177.300 0.016 0.000 1.145 278 P CA 1.272 64.386 63.100 0.023 0.000 0.795 278 P CB 0.396 32.111 31.700 0.025 0.000 0.775 279 E N 1.024 121.235 120.200 0.020 0.000 2.409 279 E HA -0.156 4.188 4.350 -0.011 0.000 0.198 279 E C 1.519 178.127 176.600 0.013 0.000 1.024 279 E CA 0.689 57.100 56.400 0.018 0.000 0.861 279 E CB -0.676 29.037 29.700 0.022 0.000 0.788 279 E HN 0.323 nan 8.360 nan 0.000 0.521 280 R N 0.218 120.722 120.500 0.008 0.000 2.310 280 R HA 0.295 4.629 4.340 -0.011 0.000 0.202 280 R C 2.220 178.473 176.300 -0.079 0.000 0.933 280 R CA 0.015 56.111 56.100 -0.007 0.000 1.054 280 R CB -0.061 30.256 30.300 0.029 0.000 0.985 280 R HN 0.196 nan 8.270 nan 0.000 0.489 281 I N 1.483 122.014 120.570 -0.066 0.000 2.226 281 I HA -0.193 3.971 4.170 -0.011 0.000 0.245 281 I C -0.788 175.286 176.117 -0.072 0.000 1.100 281 I CA 1.370 62.612 61.300 -0.097 0.000 1.374 281 I CB -0.964 37.017 38.000 -0.032 0.000 1.057 281 I HN 0.025 nan 8.210 nan 0.000 0.413 282 P HA -0.171 nan 4.420 nan 0.000 0.215 282 P C 1.521 178.824 177.300 0.006 0.000 1.157 282 P CA 1.832 64.940 63.100 0.013 0.000 0.868 282 P CB -0.004 31.713 31.700 0.029 0.000 0.788 283 A N -0.159 122.656 122.820 -0.008 0.000 1.933 283 A HA -0.102 4.212 4.320 -0.011 0.000 0.218 283 A C 2.291 179.857 177.584 -0.030 0.000 1.175 283 A CA 1.998 54.042 52.037 0.013 0.000 0.628 283 A CB -1.587 17.436 19.000 0.038 0.000 0.814 283 A HN 0.185 nan 8.150 nan 0.000 0.444 284 A N -1.026 121.661 122.820 -0.223 0.000 1.930 284 A HA -0.191 4.123 4.320 -0.011 0.000 0.217 284 A C 2.377 179.855 177.584 -0.178 0.000 1.175 284 A CA 1.618 53.316 52.037 -0.565 0.000 0.627 284 A CB -1.421 16.764 19.000 -1.358 0.000 0.815 284 A HN 0.867 nan 8.150 nan 0.000 0.443 285 C N -0.548 118.712 119.300 -0.067 0.000 2.413 285 C HA -0.127 4.327 4.460 -0.011 0.000 0.276 285 C C 2.577 177.626 174.990 0.098 0.000 1.248 285 C CA 1.860 60.925 59.018 0.078 0.000 1.742 285 C CB -1.005 26.792 27.740 0.094 0.000 2.017 285 C HN 0.684 nan 8.230 nan 0.000 0.481 286 E N 0.721 120.964 120.200 0.071 0.000 2.072 286 E HA -0.189 4.155 4.350 -0.011 0.000 0.191 286 E C 2.055 178.681 176.600 0.044 0.000 0.985 286 E CA 1.858 58.302 56.400 0.073 0.000 0.801 286 E CB -0.392 29.382 29.700 0.123 0.000 0.750 286 E HN 0.772 nan 8.360 nan 0.000 0.452 287 E N -0.090 120.166 120.200 0.093 0.000 2.150 287 E HA -0.113 4.231 4.350 -0.011 0.000 0.193 287 E C 1.866 178.498 176.600 0.053 0.000 0.985 287 E CA 1.046 57.504 56.400 0.097 0.000 0.814 287 E CB -0.252 29.590 29.700 0.237 0.000 0.752 287 E HN 0.353 nan 8.360 nan 0.000 0.466 288 L N -0.140 121.178 121.223 0.158 0.000 2.156 288 L HA -0.067 4.267 4.340 -0.011 0.000 0.208 288 L C 2.365 179.454 176.870 0.365 0.000 1.095 288 L CA 0.610 55.618 54.840 0.279 0.000 0.770 288 L CB -0.300 41.984 42.059 0.375 0.000 0.914 288 L HN 0.206 nan 8.230 nan 0.000 0.439 289 L N -0.490 120.816 121.223 0.138 0.000 2.201 289 L HA -0.178 4.156 4.340 -0.011 0.000 0.212 289 L C 2.803 179.428 176.870 -0.409 0.000 1.105 289 L CA 0.967 55.630 54.840 -0.295 0.000 0.775 289 L CB -0.392 41.283 42.059 -0.639 0.000 0.913 289 L HN 0.266 nan 8.230 nan 0.000 0.440 290 R N 0.225 120.516 120.500 -0.348 0.000 2.055 290 R HA -0.151 4.182 4.340 -0.011 0.000 0.226 290 R C 2.471 178.595 176.300 -0.292 0.000 1.135 290 R CA 1.059 56.969 56.100 -0.316 0.000 0.959 290 R CB -0.052 30.158 30.300 -0.151 0.000 0.854 290 R HN 0.045 nan 8.270 nan 0.000 0.431 291 R N 0.104 120.388 120.500 -0.361 0.000 2.096 291 R HA -0.077 4.257 4.340 -0.011 0.000 0.235 291 R C 0.546 176.312 176.300 -0.891 0.000 1.127 291 R CA 1.614 57.307 56.100 -0.677 0.000 0.968 291 R CB -0.256 29.459 30.300 -0.975 0.000 0.861 291 R HN 0.253 nan 8.270 nan 0.000 0.440 292 F N 0.340 120.167 119.950 -0.204 0.000 2.963 292 F HA 0.402 4.923 4.527 -0.011 0.000 0.321 292 F C 0.383 176.030 175.800 -0.256 0.000 1.234 292 F CA -0.574 57.234 58.000 -0.320 0.000 1.296 292 F CB 0.319 39.114 39.000 -0.341 0.000 0.981 292 F HN -0.124 nan 8.300 nan 0.000 0.507 293 S N 1.764 117.345 115.700 -0.198 0.000 2.563 293 S HA 0.227 4.691 4.470 -0.011 0.000 0.284 293 S C 0.851 175.280 174.600 -0.284 0.000 1.331 293 S CA -0.077 57.972 58.200 -0.250 0.000 1.047 293 S CB 0.495 63.522 63.200 -0.287 0.000 0.859 293 S HN 0.585 nan 8.310 nan 0.000 0.514 294 L N 2.003 123.086 121.223 -0.234 0.000 3.520 294 L HA 0.581 4.915 4.340 -0.011 0.000 0.323 294 L C -0.886 175.851 176.870 -0.222 0.000 1.246 294 L CA -0.558 54.154 54.840 -0.213 0.000 1.085 294 L CB 0.229 42.312 42.059 0.040 0.000 1.477 294 L HN 0.317 nan 8.230 nan 0.000 0.624 295 V N 1.731 121.497 119.914 -0.246 0.000 2.630 295 V HA 0.863 4.977 4.120 -0.011 0.000 0.305 295 V C 0.209 176.136 176.094 -0.279 0.000 1.046 295 V CA 0.022 62.195 62.300 -0.212 0.000 0.934 295 V CB 1.573 33.315 31.823 -0.134 0.000 1.003 295 V HN 0.341 nan 8.190 nan 0.000 0.451 296 A N 3.306 125.978 122.820 -0.247 0.000 2.667 296 A HA 0.665 4.979 4.320 -0.011 0.000 0.291 296 A C -0.812 176.690 177.584 -0.136 0.000 1.123 296 A CA -0.623 51.294 52.037 -0.201 0.000 0.832 296 A CB 0.601 19.392 19.000 -0.348 0.000 1.396 296 A HN 0.845 nan 8.150 nan 0.000 0.401 297 D N 1.227 121.592 120.400 -0.058 0.000 2.723 297 D HA 0.867 5.501 4.640 -0.011 0.000 0.247 297 D C 0.473 176.804 176.300 0.052 0.000 1.134 297 D CA 0.064 54.021 54.000 -0.071 0.000 1.099 297 D CB 1.234 42.014 40.800 -0.032 0.000 1.287 297 D HN 0.913 nan 8.370 nan 0.000 0.634 298 G N -1.666 107.173 108.800 0.065 0.000 2.588 298 G HA2 0.546 4.500 3.960 -0.011 0.000 0.281 298 G HA3 0.546 4.500 3.960 -0.011 0.000 0.281 298 G C -1.113 173.816 174.900 0.049 0.000 1.223 298 G CA -0.653 44.474 45.100 0.044 0.000 0.871 298 G HN 0.471 nan 8.290 nan 0.000 0.492 299 R N -1.280 119.238 120.500 0.029 0.000 2.846 299 R HA 0.697 5.031 4.340 -0.011 0.000 0.263 299 R C -1.347 175.034 176.300 0.134 0.000 1.080 299 R CA -0.840 55.315 56.100 0.090 0.000 0.961 299 R CB 1.064 31.453 30.300 0.148 0.000 1.231 299 R HN 0.641 nan 8.270 nan 0.000 0.465 300 I N 1.179 121.839 120.570 0.149 0.000 2.545 300 I HA 0.293 4.457 4.170 -0.011 0.000 0.292 300 I C -0.751 175.449 176.117 0.138 0.000 1.040 300 I CA -1.041 60.349 61.300 0.150 0.000 1.068 300 I CB 1.296 39.356 38.000 0.100 0.000 1.251 300 I HN 0.193 nan 8.210 nan 0.000 0.424 301 L N 6.481 127.787 121.223 0.138 0.000 2.462 301 L HA 0.115 4.448 4.340 -0.011 0.000 0.272 301 L C 1.551 178.425 176.870 0.008 0.000 1.166 301 L CA 0.479 55.336 54.840 0.028 0.000 0.880 301 L CB 0.927 43.025 42.059 0.065 0.000 1.142 301 L HN 0.801 nan 8.230 nan 0.000 0.473 302 T N -1.662 112.863 114.554 -0.048 0.000 3.100 302 T HA 0.093 4.436 4.350 -0.011 0.000 0.253 302 T C 0.691 175.381 174.700 -0.017 0.000 1.118 302 T CA 0.402 62.487 62.100 -0.024 0.000 1.058 302 T CB 0.126 68.967 68.868 -0.045 0.000 0.953 302 T HN 0.653 nan 8.240 nan 0.000 0.515 303 S N -0.441 115.247 115.700 -0.020 0.000 2.643 303 S HA 0.402 4.866 4.470 -0.011 0.000 0.266 303 S C -2.198 172.403 174.600 0.002 0.000 1.130 303 S CA -1.165 57.034 58.200 -0.001 0.000 0.817 303 S CB 0.661 63.868 63.200 0.011 0.000 1.107 303 S HN 0.028 nan 8.310 nan 0.000 0.471 304 D N 1.166 121.573 120.400 0.011 0.000 2.458 304 D HA 0.478 5.112 4.640 -0.011 0.000 0.243 304 D C -0.920 175.413 176.300 0.056 0.000 1.146 304 D CA 1.069 55.078 54.000 0.016 0.000 0.877 304 D CB 0.086 40.887 40.800 0.002 0.000 1.176 304 D HN 0.522 nan 8.370 nan 0.000 0.461 305 Y N 0.766 120.970 120.300 -0.160 0.000 2.442 305 Y HA 0.183 4.726 4.550 -0.010 0.000 0.330 305 Y C -1.030 174.781 175.900 -0.148 0.000 1.100 305 Y CA -1.062 56.884 58.100 -0.257 0.000 1.034 305 Y CB 1.358 39.488 38.460 -0.550 0.000 1.285 305 Y HN 0.318 nan 8.280 nan 0.000 0.440 306 E N 6.078 125.989 120.200 -0.482 0.000 2.152 306 E HA 0.292 4.635 4.350 -0.011 0.000 0.285 306 E C -1.853 174.342 176.600 -0.675 0.000 1.043 306 E CA -0.372 55.779 56.400 -0.415 0.000 0.839 306 E CB 0.468 30.022 29.700 -0.244 0.000 1.069 306 E HN 0.452 nan 8.360 nan 0.000 0.399 307 F N 5.403 124.987 119.950 -0.609 0.000 2.460 307 F HA 0.245 4.765 4.527 -0.011 0.000 0.341 307 F C -0.299 175.414 175.800 -0.144 0.000 1.130 307 F CA -0.659 57.079 58.000 -0.437 0.000 0.962 307 F CB 0.456 39.342 39.000 -0.189 0.000 1.171 307 F HN 0.636 nan 8.300 nan 0.000 0.436 308 H N 4.108 122.860 119.070 -0.530 0.000 2.626 308 H HA -0.193 4.357 4.556 -0.011 0.000 0.317 308 H C 1.439 176.619 175.328 -0.247 0.000 1.140 308 H CA 1.108 56.897 56.048 -0.431 0.000 1.134 308 H CB -1.004 28.410 29.762 -0.580 0.000 1.486 308 H HN 1.155 nan 8.280 nan 0.000 0.417 309 G N -1.135 107.576 108.800 -0.148 0.000 2.184 309 G HA2 -0.326 3.628 3.960 -0.011 0.000 0.264 309 G HA3 -0.326 3.628 3.960 -0.011 0.000 0.264 309 G C 0.302 175.167 174.900 -0.059 0.000 0.975 309 G CA 0.384 45.433 45.100 -0.085 0.000 0.642 309 G HN 0.489 nan 8.290 nan 0.000 0.536 310 V N 1.503 121.361 119.914 -0.093 0.000 2.459 310 V HA 0.502 4.616 4.120 -0.011 0.000 0.295 310 V C 0.055 176.066 176.094 -0.138 0.000 1.029 310 V CA -1.027 61.206 62.300 -0.112 0.000 0.874 310 V CB 1.884 33.576 31.823 -0.218 0.000 0.985 310 V HN 0.274 nan 8.190 nan 0.000 0.438 311 Q N 4.782 124.550 119.800 -0.053 0.000 2.337 311 Q HA 0.468 4.802 4.340 -0.011 0.000 0.255 311 Q C -0.829 175.209 176.000 0.063 0.000 0.997 311 Q CA 0.021 55.825 55.803 0.002 0.000 0.925 311 Q CB 1.441 30.229 28.738 0.084 0.000 1.212 311 Q HN 0.579 nan 8.270 nan 0.000 0.436 312 L N 2.217 123.427 121.223 -0.022 0.000 2.309 312 L HA 0.458 4.792 4.340 -0.011 0.000 0.282 312 L C 0.189 177.125 176.870 0.110 0.000 1.036 312 L CA -0.893 53.981 54.840 0.057 0.000 0.806 312 L CB 0.956 42.968 42.059 -0.079 0.000 1.220 312 L HN 0.183 nan 8.230 nan 0.000 0.429 313 K N 2.112 122.604 120.400 0.153 0.000 2.123 313 K HA 0.269 4.583 4.320 -0.011 0.000 0.259 313 K C -0.445 176.181 176.600 0.043 0.000 0.960 313 K CA -0.671 55.580 56.287 -0.061 0.000 0.872 313 K CB 1.291 33.497 32.500 -0.489 0.000 1.079 313 K HN 0.304 nan 8.250 nan 0.000 0.440 314 K N 0.903 121.307 120.400 0.007 0.000 2.511 314 K HA 0.025 4.339 4.320 -0.011 0.000 0.280 314 K C 0.610 177.249 176.600 0.065 0.000 1.008 314 K CA 1.509 57.815 56.287 0.031 0.000 1.050 314 K CB -0.128 32.379 32.500 0.011 0.000 0.889 314 K HN 0.720 nan 8.250 nan 0.000 0.484 315 G N 3.022 111.878 108.800 0.092 0.000 2.241 315 G HA2 -0.224 3.730 3.960 -0.011 0.000 0.244 315 G HA3 -0.224 3.730 3.960 -0.011 0.000 0.244 315 G C -0.311 174.704 174.900 0.191 0.000 0.998 315 G CA 0.176 45.346 45.100 0.117 0.000 0.621 315 G HN 0.737 nan 8.290 nan 0.000 0.519 316 D N 1.575 122.138 120.400 0.272 0.000 2.443 316 D HA 0.394 5.028 4.640 -0.011 0.000 0.239 316 D C 0.874 177.409 176.300 0.393 0.000 1.136 316 D CA 0.543 54.811 54.000 0.448 0.000 0.879 316 D CB 0.520 41.755 40.800 0.725 0.000 1.195 316 D HN 0.515 nan 8.370 nan 0.000 0.443 317 Q N 0.808 120.828 119.800 0.368 0.000 2.222 317 Q HA 0.607 4.941 4.340 -0.011 0.000 0.252 317 Q C -0.360 175.846 176.000 0.342 0.000 0.926 317 Q CA -0.579 55.378 55.803 0.256 0.000 0.899 317 Q CB 2.419 31.232 28.738 0.125 0.000 1.250 317 Q HN 0.457 nan 8.270 nan 0.000 0.441 318 I N 2.748 123.471 120.570 0.254 0.000 2.512 318 I HA 0.243 4.407 4.170 -0.011 0.000 0.287 318 I C -1.678 174.492 176.117 0.089 0.000 1.069 318 I CA -1.060 60.398 61.300 0.263 0.000 1.056 318 I CB 1.211 39.355 38.000 0.241 0.000 1.229 318 I HN 0.493 nan 8.210 nan 0.000 0.429 319 L N 8.363 129.652 121.223 0.111 0.000 2.331 319 L HA 0.435 4.768 4.340 -0.011 0.000 0.278 319 L C -1.135 175.750 176.870 0.024 0.000 1.106 319 L CA 0.243 55.106 54.840 0.038 0.000 0.824 319 L CB 0.895 43.006 42.059 0.088 0.000 1.142 319 L HN 0.555 nan 8.230 nan 0.000 0.443 320 L N 7.445 128.651 121.223 -0.027 0.000 2.502 320 L HA 0.384 4.718 4.340 -0.011 0.000 0.247 320 L C -2.168 174.756 176.870 0.091 0.000 1.180 320 L CA -1.699 53.088 54.840 -0.087 0.000 0.956 320 L CB 0.882 42.632 42.059 -0.514 0.000 1.282 320 L HN 0.493 nan 8.230 nan 0.000 0.470 321 P HA -0.015 nan 4.420 nan 0.000 0.254 321 P C 0.310 177.606 177.300 -0.006 0.000 1.186 321 P CA 0.196 63.309 63.100 0.020 0.000 0.868 321 P CB 0.633 32.377 31.700 0.073 0.000 0.856 322 Q N 2.550 122.346 119.800 -0.007 0.000 2.181 322 Q HA -0.200 4.134 4.340 -0.011 0.000 0.205 322 Q C 1.900 177.833 176.000 -0.111 0.000 0.980 322 Q CA 1.579 57.365 55.803 -0.028 0.000 0.862 322 Q CB -0.527 28.162 28.738 -0.082 0.000 0.905 322 Q HN 0.522 nan 8.270 nan 0.000 0.429 323 M N -0.347 119.126 119.600 -0.212 0.000 2.108 323 M HA -0.195 4.279 4.480 -0.011 0.000 0.261 323 M C 1.431 177.618 176.300 -0.188 0.000 1.066 323 M CA 1.537 56.674 55.300 -0.273 0.000 1.107 323 M CB -0.004 32.309 32.600 -0.477 0.000 1.356 323 M HN 0.291 nan 8.290 nan 0.000 0.406 324 L N -0.635 120.511 121.223 -0.128 0.000 2.217 324 L HA -0.140 4.194 4.340 -0.011 0.000 0.211 324 L C 2.418 179.247 176.870 -0.067 0.000 1.107 324 L CA 0.678 55.474 54.840 -0.073 0.000 0.783 324 L CB -0.638 41.405 42.059 -0.027 0.000 0.919 324 L HN 0.309 nan 8.230 nan 0.000 0.442 325 S N 0.503 116.169 115.700 -0.057 0.000 2.359 325 S HA -0.197 4.267 4.470 -0.011 0.000 0.223 325 S C 1.991 176.563 174.600 -0.046 0.000 1.039 325 S CA 1.638 59.808 58.200 -0.050 0.000 1.042 325 S CB -0.684 62.491 63.200 -0.043 0.000 0.915 325 S HN 0.623 nan 8.310 nan 0.000 0.439 326 G N 0.724 109.501 108.800 -0.038 0.000 2.484 326 G HA2 0.012 3.966 3.960 -0.011 0.000 0.218 326 G HA3 0.012 3.966 3.960 -0.011 0.000 0.218 326 G C 1.167 176.024 174.900 -0.071 0.000 1.130 326 G CA 0.197 45.280 45.100 -0.029 0.000 0.784 326 G HN 0.451 nan 8.290 nan 0.000 0.543 327 L N 0.355 121.522 121.223 -0.092 0.000 2.554 327 L HA 0.141 4.475 4.340 -0.011 0.000 0.226 327 L C 0.627 177.455 176.870 -0.071 0.000 1.137 327 L CA -0.232 54.550 54.840 -0.098 0.000 0.863 327 L CB -0.046 41.949 42.059 -0.105 0.000 0.985 327 L HN 0.049 nan 8.230 nan 0.000 0.451 328 D N 1.497 121.859 120.400 -0.063 0.000 2.401 328 D HA -0.066 4.568 4.640 -0.011 0.000 0.254 328 D C 1.261 177.532 176.300 -0.049 0.000 1.192 328 D CA 0.035 54.001 54.000 -0.058 0.000 0.885 328 D CB 1.074 41.837 40.800 -0.061 0.000 1.147 328 D HN 0.359 nan 8.370 nan 0.000 0.478 329 E N 3.389 123.562 120.200 -0.045 0.000 2.333 329 E HA -0.187 4.156 4.350 -0.011 0.000 0.198 329 E C 1.230 177.810 176.600 -0.032 0.000 1.007 329 E CA 0.611 56.990 56.400 -0.035 0.000 0.845 329 E CB -0.002 29.678 29.700 -0.032 0.000 0.766 329 E HN 0.433 nan 8.360 nan 0.000 0.507 330 R N 0.622 121.099 120.500 -0.039 0.000 2.189 330 R HA -0.010 4.323 4.340 -0.011 0.000 0.218 330 R C 1.835 178.116 176.300 -0.031 0.000 1.074 330 R CA 1.233 57.311 56.100 -0.036 0.000 0.991 330 R CB 0.011 30.284 30.300 -0.045 0.000 0.883 330 R HN 0.344 nan 8.270 nan 0.000 0.457 331 E N -0.236 119.944 120.200 -0.034 0.000 2.201 331 E HA 0.085 4.428 4.350 -0.011 0.000 0.193 331 E C -0.115 176.473 176.600 -0.019 0.000 0.957 331 E CA 0.337 56.720 56.400 -0.028 0.000 0.858 331 E CB 0.487 30.166 29.700 -0.035 0.000 0.816 331 E HN 0.209 nan 8.360 nan 0.000 0.475 332 N N 0.321 119.008 118.700 -0.020 0.000 2.454 332 N HA 0.276 5.009 4.740 -0.011 0.000 0.291 332 N C -1.150 174.354 175.510 -0.011 0.000 1.079 332 N CA -0.201 52.841 53.050 -0.012 0.000 0.893 332 N CB 2.042 40.520 38.487 -0.015 0.000 1.512 332 N HN -0.030 nan 8.380 nan 0.000 0.497 333 A N 0.549 123.368 122.820 -0.002 0.000 2.498 333 A HA 0.200 4.514 4.320 -0.011 0.000 0.239 333 A C 0.804 178.394 177.584 0.010 0.000 1.068 333 A CA 0.033 52.071 52.037 0.001 0.000 0.766 333 A CB -0.258 18.745 19.000 0.006 0.000 1.003 333 A HN 0.975 nan 8.150 nan 0.000 0.497 334 C N 2.152 121.456 119.300 0.006 0.000 3.899 334 C HA -0.107 4.347 4.460 -0.011 0.000 0.297 334 C C -0.183 174.821 174.990 0.025 0.000 1.371 334 C CA -0.003 59.026 59.018 0.019 0.000 2.088 334 C CB -2.388 25.374 27.740 0.036 0.000 1.346 334 C HN 0.890 nan 8.230 nan 0.000 0.658 335 P HA -0.206 nan 4.420 nan 0.000 0.217 335 P C 1.344 178.594 177.300 -0.083 0.000 1.148 335 P CA 1.733 64.804 63.100 -0.048 0.000 0.828 335 P CB -0.010 31.656 31.700 -0.057 0.000 0.783 336 M N -1.790 117.779 119.600 -0.052 0.000 2.595 336 M HA 0.049 4.523 4.480 -0.011 0.000 0.248 336 M C 0.803 177.076 176.300 -0.045 0.000 1.119 336 M CA 0.244 55.496 55.300 -0.079 0.000 1.079 336 M CB -1.813 30.766 32.600 -0.034 0.000 1.472 336 M HN 0.041 nan 8.290 nan 0.000 0.501 337 H N 0.395 119.405 119.070 -0.101 0.000 2.527 337 H HA 0.410 4.959 4.556 -0.010 0.000 0.321 337 H C -1.021 174.239 175.328 -0.114 0.000 1.087 337 H CA -0.487 55.519 56.048 -0.070 0.000 1.337 337 H CB 0.959 30.704 29.762 -0.027 0.000 1.440 337 H HN -0.177 nan 8.280 nan 0.000 0.490 338 V N 5.895 125.418 119.914 -0.651 0.000 2.368 338 V HA 0.125 4.239 4.120 -0.011 0.000 0.266 338 V C -0.117 175.598 176.094 -0.632 0.000 1.045 338 V CA -0.290 61.651 62.300 -0.598 0.000 0.899 338 V CB 0.692 32.068 31.823 -0.744 0.000 1.006 338 V HN 0.797 nan 8.190 nan 0.000 0.470 339 D N 4.363 124.538 120.400 -0.375 0.000 2.440 339 D HA 0.343 4.977 4.640 -0.011 0.000 0.252 339 D C 0.490 176.808 176.300 0.030 0.000 1.180 339 D CA -0.578 53.298 54.000 -0.205 0.000 0.894 339 D CB 0.982 41.746 40.800 -0.059 0.000 1.111 339 D HN 0.232 nan 8.370 nan 0.000 0.544 340 F N 1.279 121.259 119.950 0.049 0.000 2.494 340 F HA -0.018 4.503 4.527 -0.009 0.000 0.298 340 F C 2.148 177.974 175.800 0.042 0.000 1.106 340 F CA 0.417 58.452 58.000 0.059 0.000 1.452 340 F CB -0.452 38.601 39.000 0.088 0.000 1.085 340 F HN 0.277 nan 8.300 nan 0.000 0.569 341 S N -1.007 114.807 115.700 0.190 0.000 2.557 341 S HA 0.088 4.552 4.470 -0.011 0.000 0.223 341 S C 0.849 175.505 174.600 0.092 0.000 0.969 341 S CA -0.545 57.729 58.200 0.124 0.000 0.927 341 S CB -0.162 63.093 63.200 0.091 0.000 0.806 341 S HN 0.174 nan 8.310 nan 0.000 0.489 342 R N 2.105 122.661 120.500 0.093 0.000 2.537 342 R HA -0.019 4.315 4.340 -0.011 0.000 0.281 342 R C 1.172 177.511 176.300 0.065 0.000 0.988 342 R CA 0.253 56.395 56.100 0.069 0.000 1.077 342 R CB 0.352 30.688 30.300 0.059 0.000 0.932 342 R HN 0.212 nan 8.270 nan 0.000 0.409 343 Q N 3.223 123.054 119.800 0.051 0.000 1.921 343 Q HA -0.149 4.184 4.340 -0.011 0.000 0.208 343 Q C -0.054 175.971 176.000 0.043 0.000 0.994 343 Q CA 1.857 57.687 55.803 0.044 0.000 0.857 343 Q CB -0.166 28.593 28.738 0.034 0.000 0.925 343 Q HN 0.404 nan 8.270 nan 0.000 0.421 344 K N 0.882 121.304 120.400 0.036 0.000 2.347 344 K HA 0.307 4.621 4.320 -0.011 0.000 0.262 344 K C -1.121 175.500 176.600 0.036 0.000 1.052 344 K CA -0.160 56.146 56.287 0.031 0.000 0.946 344 K CB 1.641 34.153 32.500 0.020 0.000 1.220 344 K HN -0.114 nan 8.250 nan 0.000 0.450 345 V N 2.438 122.385 119.914 0.055 0.000 2.364 345 V HA 0.068 4.182 4.120 -0.011 0.000 0.252 345 V C 0.320 176.459 176.094 0.074 0.000 1.075 345 V CA -0.299 62.051 62.300 0.083 0.000 1.033 345 V CB 0.368 32.268 31.823 0.130 0.000 1.116 345 V HN 0.651 nan 8.190 nan 0.000 0.488 346 S N 4.964 120.688 115.700 0.041 0.000 2.499 346 S HA 0.672 5.135 4.470 -0.011 0.000 0.279 346 S C -0.476 174.151 174.600 0.044 0.000 1.219 346 S CA -0.368 57.825 58.200 -0.012 0.000 1.062 346 S CB 0.224 63.413 63.200 -0.018 0.000 0.978 346 S HN 1.117 nan 8.310 nan 0.000 0.489 347 H N -0.112 118.937 119.070 -0.035 0.000 2.935 347 H HA 0.457 5.007 4.556 -0.011 0.000 0.297 347 H C -0.642 174.658 175.328 -0.047 0.000 1.423 347 H CA -0.365 55.645 56.048 -0.064 0.000 1.161 347 H CB 0.587 30.293 29.762 -0.093 0.000 1.841 347 H HN 0.330 nan 8.280 nan 0.000 0.506 348 T N -2.372 112.264 114.554 0.137 0.000 3.487 348 T HA 0.182 4.526 4.350 -0.011 0.000 0.287 348 T C 0.414 175.167 174.700 0.089 0.000 1.004 348 T CA 0.124 62.276 62.100 0.088 0.000 0.977 348 T CB -0.359 68.518 68.868 0.015 0.000 1.180 348 T HN 0.621 nan 8.240 nan 0.000 0.490 349 T N 1.274 115.935 114.554 0.179 0.000 2.803 349 T HA 0.027 4.371 4.350 -0.011 0.000 0.269 349 T C 0.479 174.982 174.700 -0.328 0.000 1.052 349 T CA 1.273 63.225 62.100 -0.248 0.000 1.136 349 T CB -0.380 68.089 68.868 -0.665 0.000 0.864 349 T HN 0.482 nan 8.240 nan 0.000 0.467 350 F N 1.099 121.058 119.950 0.016 0.000 2.645 350 F HA 0.472 4.995 4.527 -0.006 0.000 0.300 350 F C 1.572 177.334 175.800 -0.063 0.000 1.115 350 F CA -0.252 57.723 58.000 -0.041 0.000 1.355 350 F CB -0.380 38.600 39.000 -0.033 0.000 1.026 350 F HN 0.286 nan 8.300 nan 0.000 0.536 351 G N -0.035 108.791 108.800 0.043 0.000 2.610 351 G HA2 -0.033 3.920 3.960 -0.011 0.000 0.304 351 G HA3 -0.033 3.920 3.960 -0.011 0.000 0.304 351 G C -1.529 173.360 174.900 -0.018 0.000 1.309 351 G CA -0.715 44.325 45.100 -0.099 0.000 0.906 351 G HN 0.506 nan 8.290 nan 0.000 0.521 352 H N -1.061 117.852 119.070 -0.262 0.000 3.094 352 H HA 0.694 5.244 4.556 -0.009 0.000 0.346 352 H C 0.488 175.804 175.328 -0.019 0.000 1.238 352 H CA 1.819 57.814 56.048 -0.088 0.000 1.209 352 H CB 1.398 31.165 29.762 0.008 0.000 1.911 352 H HN 2.693 nan 8.280 nan 0.000 0.540 353 G N 0.871 109.428 108.800 -0.405 0.000 2.587 353 G HA2 -0.211 3.743 3.960 -0.011 0.000 0.212 353 G HA3 -0.211 3.743 3.960 -0.011 0.000 0.212 353 G C 1.000 175.863 174.900 -0.062 0.000 1.327 353 G CA 0.412 45.443 45.100 -0.116 0.000 0.898 353 G HN 1.398 nan 8.290 nan 0.000 0.551 354 S N -1.057 114.640 115.700 -0.006 0.000 2.507 354 S HA -0.038 4.426 4.470 -0.011 0.000 0.235 354 S C 1.280 175.735 174.600 -0.241 0.000 0.988 354 S CA 1.789 59.907 58.200 -0.137 0.000 0.944 354 S CB -0.240 62.822 63.200 -0.230 0.000 0.762 354 S HN 0.737 nan 8.310 nan 0.000 0.526 355 H N 0.326 119.381 119.070 -0.024 0.000 2.519 355 H HA 0.347 4.897 4.556 -0.009 0.000 0.289 355 H C 0.236 175.537 175.328 -0.046 0.000 1.040 355 H CA -0.529 55.505 56.048 -0.022 0.000 1.165 355 H CB -0.079 29.682 29.762 -0.001 0.000 1.462 355 H HN 0.328 nan 8.280 nan 0.000 0.555 356 L N 1.692 122.917 121.223 0.004 0.000 2.615 356 L HA -0.114 4.220 4.340 -0.011 0.000 0.284 356 L C 0.596 177.455 176.870 -0.018 0.000 1.237 356 L CA 0.312 55.142 54.840 -0.016 0.000 0.905 356 L CB 0.136 42.166 42.059 -0.049 0.000 1.149 356 L HN 0.306 nan 8.230 nan 0.000 0.499 357 C N 6.074 125.373 119.300 -0.003 0.000 2.437 357 C HA -0.016 4.438 4.460 -0.011 0.000 0.399 357 C C 1.799 176.689 174.990 -0.166 0.000 1.478 357 C CA -0.146 58.845 59.018 -0.045 0.000 1.538 357 C CB -1.268 26.477 27.740 0.009 0.000 2.506 357 C HN 0.881 nan 8.230 nan 0.000 0.603 358 L N 4.917 126.067 121.223 -0.120 0.000 2.477 358 L HA 0.208 4.542 4.340 -0.011 0.000 0.220 358 L C 2.280 179.033 176.870 -0.194 0.000 1.106 358 L CA 1.049 55.805 54.840 -0.139 0.000 0.851 358 L CB -0.273 41.757 42.059 -0.048 0.000 0.994 358 L HN 0.953 nan 8.230 nan 0.000 0.462 359 G N -0.581 108.103 108.800 -0.194 0.000 3.337 359 G HA2 -0.003 3.950 3.960 -0.011 0.000 0.246 359 G HA3 -0.003 3.950 3.960 -0.011 0.000 0.246 359 G C 1.250 175.966 174.900 -0.307 0.000 1.131 359 G CA -0.197 44.798 45.100 -0.175 0.000 0.773 359 G HN 0.469 nan 8.290 nan 0.000 0.544 360 Q N -0.226 119.205 119.800 -0.615 0.000 2.226 360 Q HA -0.169 4.164 4.340 -0.011 0.000 0.204 360 Q C 1.650 177.301 176.000 -0.582 0.000 0.975 360 Q CA 1.142 56.349 55.803 -0.994 0.000 0.866 360 Q CB -0.439 27.354 28.738 -1.575 0.000 0.915 360 Q HN 0.446 nan 8.270 nan 0.000 0.440 361 H N 0.510 119.439 119.070 -0.235 0.000 2.363 361 H HA -0.031 4.520 4.556 -0.009 0.000 0.301 361 H C 2.086 177.376 175.328 -0.063 0.000 1.074 361 H CA 1.200 57.174 56.048 -0.122 0.000 1.354 361 H CB -0.185 29.526 29.762 -0.086 0.000 1.397 361 H HN 0.240 nan 8.280 nan 0.000 0.516 362 L N 1.148 122.394 121.223 0.038 0.000 2.056 362 L HA 0.006 4.340 4.340 -0.011 0.000 0.207 362 L C 2.502 179.398 176.870 0.042 0.000 1.078 362 L CA 1.693 56.555 54.840 0.036 0.000 0.749 362 L CB -0.915 41.154 42.059 0.016 0.000 0.901 362 L HN 0.170 nan 8.230 nan 0.000 0.433 363 A N -0.249 122.581 122.820 0.017 0.000 1.865 363 A HA -0.232 4.082 4.320 -0.011 0.000 0.217 363 A C 2.428 180.097 177.584 0.141 0.000 1.191 363 A CA 1.893 53.986 52.037 0.092 0.000 0.623 363 A CB -0.596 18.494 19.000 0.150 0.000 0.826 363 A HN 0.490 nan 8.150 nan 0.000 0.444 364 R N -1.252 119.314 120.500 0.110 0.000 2.105 364 R HA -0.154 4.180 4.340 -0.011 0.000 0.239 364 R C 2.448 178.838 176.300 0.150 0.000 1.135 364 R CA 1.592 57.777 56.100 0.142 0.000 0.967 364 R CB -0.286 30.082 30.300 0.114 0.000 0.861 364 R HN 0.470 nan 8.270 nan 0.000 0.442 365 R N 1.603 122.183 120.500 0.133 0.000 2.081 365 R HA -0.121 4.212 4.340 -0.011 0.000 0.235 365 R C 1.700 178.128 176.300 0.213 0.000 1.131 365 R CA 1.754 57.940 56.100 0.144 0.000 0.960 365 R CB -0.216 30.152 30.300 0.113 0.000 0.856 365 R HN 0.274 nan 8.270 nan 0.000 0.436 366 E N -0.314 120.026 120.200 0.234 0.000 2.110 366 E HA -0.158 4.186 4.350 -0.011 0.000 0.193 366 E C 2.005 178.890 176.600 0.474 0.000 0.988 366 E CA 1.537 58.180 56.400 0.405 0.000 0.804 366 E CB -0.146 29.701 29.700 0.246 0.000 0.745 366 E HN 0.381 nan 8.360 nan 0.000 0.458 367 I N 0.851 121.627 120.570 0.343 0.000 2.163 367 I HA -0.264 3.900 4.170 -0.011 0.000 0.240 367 I C 2.378 178.639 176.117 0.240 0.000 1.081 367 I CA 1.043 62.541 61.300 0.330 0.000 1.353 367 I CB -0.208 37.997 38.000 0.342 0.000 1.054 367 I HN 0.079 nan 8.210 nan 0.000 0.407 368 I N 0.095 120.782 120.570 0.195 0.000 2.208 368 I HA -0.266 3.898 4.170 -0.011 0.000 0.245 368 I C 2.531 178.727 176.117 0.131 0.000 1.097 368 I CA 1.210 62.592 61.300 0.137 0.000 1.363 368 I CB -0.336 37.731 38.000 0.113 0.000 1.051 368 I HN 0.043 nan 8.210 nan 0.000 0.413 369 V N 0.420 120.438 119.914 0.172 0.000 2.343 369 V HA -0.279 3.835 4.120 -0.011 0.000 0.247 369 V C 2.496 178.654 176.094 0.107 0.000 1.051 369 V CA 2.419 64.813 62.300 0.155 0.000 1.036 369 V CB -0.828 31.137 31.823 0.236 0.000 0.654 369 V HN 0.469 nan 8.190 nan 0.000 0.451 370 T N 0.485 115.111 114.554 0.121 0.000 2.708 370 T HA -0.140 4.203 4.350 -0.011 0.000 0.266 370 T C 1.866 176.588 174.700 0.036 0.000 1.037 370 T CA 1.625 63.745 62.100 0.034 0.000 1.146 370 T CB -0.289 68.655 68.868 0.126 0.000 0.865 370 T HN 0.306 nan 8.240 nan 0.000 0.435 371 L N 0.638 121.898 121.223 0.061 0.000 2.046 371 L HA -0.080 4.254 4.340 -0.011 0.000 0.208 371 L C 2.845 179.761 176.870 0.078 0.000 1.077 371 L CA 1.148 56.020 54.840 0.053 0.000 0.747 371 L CB -0.548 41.537 42.059 0.044 0.000 0.896 371 L HN 0.115 nan 8.230 nan 0.000 0.432 372 K N 0.510 120.949 120.400 0.065 0.000 2.002 372 K HA -0.172 4.142 4.320 -0.011 0.000 0.209 372 K C 1.911 178.536 176.600 0.042 0.000 1.048 372 K CA 1.564 57.883 56.287 0.053 0.000 0.930 372 K CB -0.065 32.465 32.500 0.049 0.000 0.714 372 K HN 0.239 nan 8.250 nan 0.000 0.438 373 E N -0.406 119.814 120.200 0.033 0.000 2.268 373 E HA -0.175 4.169 4.350 -0.011 0.000 0.195 373 E C 1.761 178.333 176.600 -0.048 0.000 0.995 373 E CA 0.442 56.838 56.400 -0.008 0.000 0.836 373 E CB -0.265 29.429 29.700 -0.009 0.000 0.763 373 E HN 0.483 nan 8.360 nan 0.000 0.491 374 W N 1.366 122.549 121.300 -0.193 0.000 2.444 374 W HA -0.031 4.622 4.660 -0.011 0.000 0.308 374 W C 1.765 178.162 176.519 -0.203 0.000 1.183 374 W CA 0.689 57.864 57.345 -0.283 0.000 1.340 374 W CB -0.391 28.835 29.460 -0.390 0.000 1.138 374 W HN -0.005 nan 8.180 nan 0.000 0.510 375 L N 0.623 121.966 121.223 0.199 0.000 2.191 375 L HA -0.215 4.119 4.340 -0.011 0.000 0.212 375 L C 2.330 179.211 176.870 0.019 0.000 1.103 375 L CA 1.548 56.484 54.840 0.161 0.000 0.769 375 L CB -1.071 41.087 42.059 0.164 0.000 0.908 375 L HN -0.108 nan 8.230 nan 0.000 0.438 376 T N -0.696 113.842 114.554 -0.027 0.000 2.821 376 T HA -0.118 4.226 4.350 -0.011 0.000 0.267 376 T C 2.037 176.673 174.700 -0.108 0.000 1.046 376 T CA 1.239 63.309 62.100 -0.051 0.000 1.139 376 T CB 0.001 68.843 68.868 -0.042 0.000 0.871 376 T HN 0.352 nan 8.240 nan 0.000 0.454 377 R N -0.101 120.273 120.500 -0.209 0.000 2.146 377 R HA 0.336 4.670 4.340 -0.011 0.000 0.206 377 R C 0.444 176.519 176.300 -0.375 0.000 1.049 377 R CA 0.592 56.523 56.100 -0.282 0.000 1.029 377 R CB 0.437 30.522 30.300 -0.358 0.000 0.949 377 R HN 0.298 nan 8.270 nan 0.000 0.471 378 I N 2.625 122.876 120.570 -0.532 0.000 2.782 378 I HA 0.186 4.349 4.170 -0.011 0.000 0.279 378 I C -1.944 174.117 176.117 -0.095 0.000 1.247 378 I CA -1.621 59.345 61.300 -0.556 0.000 1.062 378 I CB 2.040 39.258 38.000 -1.305 0.000 1.421 378 I HN -0.113 nan 8.210 nan 0.000 0.558 379 P HA -0.047 nan 4.420 nan 0.000 0.225 379 P C 0.145 177.532 177.300 0.147 0.000 1.156 379 P CA 1.109 64.281 63.100 0.120 0.000 0.787 379 P CB 0.605 32.332 31.700 0.045 0.000 0.802 380 D N 0.056 120.545 120.400 0.149 0.000 2.471 380 D HA 0.384 5.017 4.640 -0.011 0.000 0.245 380 D C -0.859 175.594 176.300 0.254 0.000 1.116 380 D CA -0.629 53.427 54.000 0.094 0.000 0.853 380 D CB 0.713 41.555 40.800 0.069 0.000 1.123 380 D HN -0.052 nan 8.370 nan 0.000 0.540 381 F N 0.447 120.466 119.950 0.115 0.000 2.686 381 F HA 0.759 5.280 4.527 -0.010 0.000 0.311 381 F C -0.864 175.013 175.800 0.129 0.000 1.128 381 F CA -0.955 57.172 58.000 0.211 0.000 0.946 381 F CB 1.123 40.274 39.000 0.251 0.000 1.336 381 F HN 0.126 nan 8.300 nan 0.000 0.457 382 S N 0.782 116.675 115.700 0.322 0.000 2.656 382 S HA 0.679 5.143 4.470 -0.011 0.000 0.273 382 S C -1.439 173.278 174.600 0.195 0.000 1.168 382 S CA -1.059 57.216 58.200 0.126 0.000 0.817 382 S CB 1.414 64.637 63.200 0.038 0.000 1.146 382 S HN 0.754 nan 8.310 nan 0.000 0.475 383 I N 1.952 122.579 120.570 0.095 0.000 2.588 383 I HA 0.342 4.506 4.170 -0.011 0.000 0.283 383 I C 1.308 177.473 176.117 0.079 0.000 1.119 383 I CA -0.142 61.210 61.300 0.087 0.000 1.419 383 I CB 0.316 38.340 38.000 0.039 0.000 1.394 383 I HN 1.001 nan 8.210 nan 0.000 0.562 384 A N 8.806 131.675 122.820 0.081 0.000 2.565 384 A HA 0.202 4.516 4.320 -0.011 0.000 0.237 384 A C -2.082 175.524 177.584 0.035 0.000 1.053 384 A CA -0.650 51.420 52.037 0.055 0.000 0.755 384 A CB -0.966 18.062 19.000 0.046 0.000 0.980 384 A HN 0.517 nan 8.150 nan 0.000 0.506 385 P HA 0.175 nan 4.420 nan 0.000 0.260 385 P C 1.152 178.460 177.300 0.014 0.000 1.172 385 P CA 1.964 65.074 63.100 0.016 0.000 0.760 385 P CB 0.433 32.139 31.700 0.010 0.000 0.773 386 G N 2.247 111.054 108.800 0.012 0.000 2.212 386 G HA2 -0.271 3.683 3.960 -0.011 0.000 0.266 386 G HA3 -0.271 3.683 3.960 -0.011 0.000 0.266 386 G C 0.510 175.417 174.900 0.013 0.000 0.978 386 G CA 0.089 45.195 45.100 0.010 0.000 0.632 386 G HN 0.871 nan 8.290 nan 0.000 0.537 387 A N 0.119 122.949 122.820 0.017 0.000 2.477 387 A HA 0.578 4.891 4.320 -0.011 0.000 0.246 387 A C 0.475 178.069 177.584 0.017 0.000 1.078 387 A CA 0.462 52.512 52.037 0.021 0.000 0.770 387 A CB 0.319 19.337 19.000 0.030 0.000 1.011 387 A HN 0.360 nan 8.150 nan 0.000 0.494 388 Q N 2.242 122.051 119.800 0.015 0.000 2.381 388 Q HA 0.298 4.632 4.340 -0.011 0.000 0.263 388 Q C -0.700 175.305 176.000 0.008 0.000 1.030 388 Q CA -0.518 55.289 55.803 0.008 0.000 0.772 388 Q CB 1.492 30.233 28.738 0.006 0.000 1.232 388 Q HN 0.625 nan 8.270 nan 0.000 0.476 389 I N 2.527 123.098 120.570 0.001 0.000 2.471 389 I HA 0.095 4.259 4.170 -0.011 0.000 0.286 389 I C 0.597 176.695 176.117 -0.033 0.000 1.079 389 I CA 0.129 61.434 61.300 0.008 0.000 1.398 389 I CB 0.362 38.378 38.000 0.026 0.000 1.403 389 I HN 0.312 nan 8.210 nan 0.000 0.530 390 Q N 5.954 125.771 119.800 0.030 0.000 2.312 390 Q HA 0.446 4.779 4.340 -0.011 0.000 0.263 390 Q C -0.611 175.505 176.000 0.194 0.000 0.995 390 Q CA -0.477 55.353 55.803 0.045 0.000 0.853 390 Q CB 2.352 31.124 28.738 0.056 0.000 1.300 390 Q HN 0.606 nan 8.270 nan 0.000 0.448 391 H N 0.510 119.640 119.070 0.100 0.000 2.615 391 H HA 0.545 5.095 4.556 -0.010 0.000 0.346 391 H C -0.257 175.148 175.328 0.128 0.000 1.200 391 H CA -0.942 55.186 56.048 0.133 0.000 1.264 391 H CB 1.847 31.760 29.762 0.251 0.000 1.699 391 H HN 0.361 nan 8.280 nan 0.000 0.567 392 K N 0.246 120.810 120.400 0.273 0.000 2.464 392 K HA 0.532 4.845 4.320 -0.011 0.000 0.253 392 K C -1.240 175.503 176.600 0.239 0.000 0.933 392 K CA -0.898 55.512 56.287 0.206 0.000 0.801 392 K CB 2.603 35.185 32.500 0.136 0.000 1.271 392 K HN 0.356 nan 8.250 nan 0.000 0.430 393 S N 0.543 116.392 115.700 0.248 0.000 2.578 393 S HA 0.913 5.376 4.470 -0.011 0.000 0.301 393 S C -0.390 174.358 174.600 0.247 0.000 1.091 393 S CA 0.232 58.611 58.200 0.299 0.000 1.032 393 S CB 1.442 64.878 63.200 0.394 0.000 1.064 393 S HN 1.000 nan 8.310 nan 0.000 0.508 394 G N 2.365 111.276 108.800 0.185 0.000 2.356 394 G HA2 0.210 4.164 3.960 -0.011 0.000 0.281 394 G HA3 0.210 4.164 3.960 -0.011 0.000 0.281 394 G C 0.188 175.049 174.900 -0.064 0.000 1.246 394 G CA -0.350 44.777 45.100 0.043 0.000 0.889 394 G HN 0.542 nan 8.290 nan 0.000 0.486 395 I N -0.000 120.522 120.570 -0.080 0.000 2.264 395 I HA 0.006 4.170 4.170 -0.011 0.000 0.248 395 I C 0.916 176.952 176.117 -0.135 0.000 1.111 395 I CA 1.536 62.702 61.300 -0.224 0.000 1.382 395 I CB -0.803 36.952 38.000 -0.408 0.000 1.060 395 I HN 0.053 nan 8.210 nan 0.000 0.418 396 V N 0.490 120.384 119.914 -0.033 0.000 2.531 396 V HA 0.311 4.424 4.120 -0.011 0.000 0.301 396 V C 0.090 176.214 176.094 0.051 0.000 1.034 396 V CA -0.581 61.716 62.300 -0.005 0.000 0.865 396 V CB 1.990 33.833 31.823 0.035 0.000 0.995 396 V HN 0.081 nan 8.190 nan 0.000 0.424 397 S N 2.084 117.825 115.700 0.070 0.000 2.693 397 S HA 0.920 5.383 4.470 -0.011 0.000 0.276 397 S C 0.392 175.130 174.600 0.231 0.000 1.192 397 S CA 0.118 58.420 58.200 0.171 0.000 0.994 397 S CB 1.801 65.104 63.200 0.172 0.000 1.012 397 S HN 1.188 nan 8.310 nan 0.000 0.550 398 G N -0.470 108.414 108.800 0.140 0.000 2.706 398 G HA2 0.559 4.512 3.960 -0.011 0.000 0.307 398 G HA3 0.559 4.512 3.960 -0.011 0.000 0.307 398 G C -1.890 172.767 174.900 -0.403 0.000 1.307 398 G CA -0.489 44.472 45.100 -0.231 0.000 0.790 398 G HN 0.629 nan 8.290 nan 0.000 0.503 399 V N 0.760 120.394 119.914 -0.467 0.000 2.448 399 V HA 0.313 4.427 4.120 -0.011 0.000 0.295 399 V C 1.013 177.066 176.094 -0.068 0.000 1.025 399 V CA -0.394 61.755 62.300 -0.251 0.000 0.859 399 V CB 1.383 32.998 31.823 -0.347 0.000 0.988 399 V HN 0.878 nan 8.190 nan 0.000 0.431 400 Q N 2.633 122.452 119.800 0.032 0.000 2.050 400 Q HA 0.132 4.465 4.340 -0.011 0.000 0.202 400 Q C 0.642 176.659 176.000 0.029 0.000 0.980 400 Q CA 1.637 57.462 55.803 0.036 0.000 0.840 400 Q CB 0.256 29.029 28.738 0.059 0.000 0.898 400 Q HN 0.918 nan 8.270 nan 0.000 0.424 401 A N -0.072 122.772 122.820 0.040 0.000 2.594 401 A HA 0.547 4.861 4.320 -0.011 0.000 0.296 401 A C -2.018 175.603 177.584 0.061 0.000 1.061 401 A CA -0.637 51.428 52.037 0.048 0.000 0.689 401 A CB 1.485 20.514 19.000 0.048 0.000 1.280 401 A HN 0.096 nan 8.150 nan 0.000 0.406 402 L N 2.907 124.182 121.223 0.087 0.000 2.490 402 L HA 0.532 4.865 4.340 -0.011 0.000 0.256 402 L C -2.665 174.282 176.870 0.129 0.000 1.089 402 L CA -1.482 53.415 54.840 0.094 0.000 0.916 402 L CB 1.894 44.008 42.059 0.091 0.000 1.188 402 L HN 0.462 nan 8.230 nan 0.000 0.476 403 P HA 0.286 nan 4.420 nan 0.000 0.287 403 P C -1.043 176.343 177.300 0.143 0.000 1.294 403 P CA -0.082 63.088 63.100 0.117 0.000 0.776 403 P CB 1.164 32.910 31.700 0.077 0.000 0.889 404 L N 3.918 125.271 121.223 0.216 0.000 2.333 404 L HA 0.753 5.087 4.340 -0.011 0.000 0.269 404 L C 0.492 177.539 176.870 0.296 0.000 1.010 404 L CA -1.235 53.794 54.840 0.316 0.000 0.818 404 L CB 2.143 44.463 42.059 0.435 0.000 1.306 404 L HN 0.223 nan 8.230 nan 0.000 0.430 405 V N -1.483 118.637 119.914 0.343 0.000 3.114 405 V HA 0.823 4.937 4.120 -0.011 0.000 0.308 405 V C -1.750 174.586 176.094 0.404 0.000 1.168 405 V CA -0.635 61.735 62.300 0.116 0.000 1.015 405 V CB 1.821 33.655 31.823 0.018 0.000 1.050 405 V HN 1.000 nan 8.190 nan 0.000 0.433 406 W N 0.455 121.826 121.300 0.118 0.000 3.161 406 W HA 0.701 5.355 4.660 -0.010 0.000 0.314 406 W C -1.840 174.717 176.519 0.063 0.000 1.245 406 W CA -0.668 56.746 57.345 0.116 0.000 1.191 406 W CB 0.807 30.368 29.460 0.169 0.000 1.392 406 W HN 0.711 nan 8.180 nan 0.000 0.568 407 D N 2.451 123.015 120.400 0.274 0.000 2.339 407 D HA 0.352 4.986 4.640 -0.011 0.000 0.241 407 D C -1.421 175.023 176.300 0.240 0.000 1.183 407 D CA -2.333 51.756 54.000 0.149 0.000 0.859 407 D CB 1.746 42.614 40.800 0.113 0.000 1.067 407 D HN 0.074 nan 8.370 nan 0.000 0.484 408 P HA -0.152 nan 4.420 nan 0.000 0.218 408 P C 0.841 178.220 177.300 0.132 0.000 1.146 408 P CA 1.276 64.495 63.100 0.198 0.000 0.813 408 P CB 0.204 31.954 31.700 0.084 0.000 0.778 409 A N -0.770 122.106 122.820 0.092 0.000 2.121 409 A HA -0.110 4.204 4.320 -0.011 0.000 0.218 409 A C 1.981 179.602 177.584 0.062 0.000 1.154 409 A CA 1.924 53.998 52.037 0.062 0.000 0.679 409 A CB -1.519 17.508 19.000 0.044 0.000 0.795 409 A HN 0.344 nan 8.150 nan 0.000 0.458 410 T N -2.531 112.077 114.554 0.089 0.000 3.086 410 T HA 0.162 4.506 4.350 -0.011 0.000 0.250 410 T C 0.839 175.567 174.700 0.047 0.000 1.074 410 T CA 0.636 62.778 62.100 0.070 0.000 0.988 410 T CB -0.803 68.118 68.868 0.089 0.000 0.988 410 T HN 0.491 nan 8.240 nan 0.000 0.530 411 T N -0.473 114.111 114.554 0.049 0.000 2.881 411 T HA 0.541 4.885 4.350 -0.011 0.000 0.278 411 T C -0.599 174.085 174.700 -0.026 0.000 0.982 411 T CA -0.905 61.184 62.100 -0.018 0.000 0.989 411 T CB 1.837 70.692 68.868 -0.022 0.000 1.058 411 T HN 0.329 nan 8.240 nan 0.000 0.529 412 K N 0.220 120.581 120.400 -0.064 0.000 2.443 412 K HA 0.630 4.943 4.320 -0.011 0.000 0.252 412 K C -1.152 175.409 176.600 -0.065 0.000 0.933 412 K CA -0.949 55.309 56.287 -0.049 0.000 0.792 412 K CB 1.866 34.340 32.500 -0.044 0.000 1.185 412 K HN 0.899 nan 8.250 nan 0.000 0.425 413 A N 3.460 126.255 122.820 -0.043 0.000 2.309 413 A HA 0.570 4.883 4.320 -0.011 0.000 0.298 413 A C -0.542 177.021 177.584 -0.036 0.000 1.165 413 A CA -0.568 51.443 52.037 -0.043 0.000 0.821 413 A CB 0.902 19.887 19.000 -0.025 0.000 1.102 413 A HN 0.451 nan 8.150 nan 0.000 0.500 414 V N 0.000 119.890 119.914 -0.040 0.000 2.409 414 V HA 0.000 4.114 4.120 -0.011 0.000 0.244 414 V CA 0.000 62.283 62.300 -0.028 0.000 1.235 414 V CB 0.000 31.803 31.823 -0.032 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556