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 1yrc_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 RMCGLLLVGG 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 0.000 175.493 175.510 -0.028 0.000 1.280 10 N CA 0.000 53.035 53.050 -0.026 0.000 0.885 10 N CB 0.000 38.477 38.487 -0.017 0.000 1.341 11 L N 2.348 123.556 121.223 -0.025 0.000 2.272 11 L HA 0.683 5.021 4.340 -0.003 0.000 0.289 11 L C 0.964 177.837 176.870 0.004 0.000 1.032 11 L CA -0.714 54.113 54.840 -0.021 0.000 0.810 11 L CB 0.998 43.041 42.059 -0.026 0.000 1.205 11 L HN 0.605 nan 8.230 nan 0.000 0.422 12 A N 6.152 128.984 122.820 0.021 0.000 2.407 12 A HA 0.617 4.935 4.320 -0.003 0.000 0.248 12 A C -2.103 175.520 177.584 0.065 0.000 1.082 12 A CA -0.979 51.087 52.037 0.049 0.000 0.785 12 A CB -0.523 18.522 19.000 0.074 0.000 1.020 12 A HN 0.591 nan 8.150 nan 0.000 0.489 13 P HA 0.061 nan 4.420 nan 0.000 0.264 13 P C -0.457 176.859 177.300 0.026 0.000 1.193 13 P CA -0.193 62.924 63.100 0.028 0.000 0.763 13 P CB 0.395 32.106 31.700 0.018 0.000 0.810 14 L N 7.008 128.217 121.223 -0.024 0.000 2.534 14 L HA 0.191 4.529 4.340 -0.003 0.000 0.271 14 L C -2.007 174.733 176.870 -0.217 0.000 1.178 14 L CA -1.307 53.448 54.840 -0.141 0.000 0.907 14 L CB -0.845 41.112 42.059 -0.169 0.000 1.164 14 L HN 0.312 nan 8.230 nan 0.000 0.482 15 P HA 0.136 nan 4.420 nan 0.000 0.269 15 P C -2.108 175.040 177.300 -0.253 0.000 1.209 15 P CA -0.875 62.060 63.100 -0.276 0.000 0.776 15 P CB 0.125 31.577 31.700 -0.413 0.000 0.876 16 P HA -0.196 nan 4.420 nan 0.000 0.218 16 P C 0.981 178.279 177.300 -0.004 0.000 1.146 16 P CA 1.449 64.536 63.100 -0.021 0.000 0.813 16 P CB -0.331 31.390 31.700 0.034 0.000 0.778 17 H N -2.591 116.413 119.070 -0.111 0.000 2.539 17 H HA 0.181 4.735 4.556 -0.004 0.000 0.269 17 H C -0.059 175.226 175.328 -0.072 0.000 0.980 17 H CA 0.089 56.102 56.048 -0.058 0.000 1.152 17 H CB -0.519 29.241 29.762 -0.002 0.000 1.407 17 H HN -0.089 nan 8.280 nan 0.000 0.564 18 V N 5.671 125.215 119.914 -0.616 0.000 2.364 18 V HA 0.232 4.350 4.120 -0.003 0.000 0.272 18 V C -1.907 173.996 176.094 -0.319 0.000 1.036 18 V CA -1.538 60.406 62.300 -0.593 0.000 0.880 18 V CB 1.637 32.722 31.823 -1.230 0.000 0.991 18 V HN 0.265 nan 8.190 nan 0.000 0.460 19 P HA 0.208 nan 4.420 nan 0.000 0.278 19 P C 0.604 177.826 177.300 -0.130 0.000 1.238 19 P CA -0.427 62.622 63.100 -0.084 0.000 0.794 19 P CB 1.074 32.786 31.700 0.021 0.000 0.955 20 E N 2.172 122.357 120.200 -0.026 0.000 2.204 20 E HA -0.262 4.086 4.350 -0.003 0.000 0.195 20 E C 1.456 178.077 176.600 0.035 0.000 0.990 20 E CA 1.099 57.496 56.400 -0.005 0.000 0.821 20 E CB -0.804 28.912 29.700 0.026 0.000 0.750 20 E HN 0.613 nan 8.360 nan 0.000 0.477 21 H N 0.969 120.061 119.070 0.037 0.000 2.545 21 H HA 0.036 4.590 4.556 -0.003 0.000 0.282 21 H C 1.592 176.974 175.328 0.089 0.000 1.020 21 H CA 0.643 56.724 56.048 0.055 0.000 1.243 21 H CB -0.142 29.645 29.762 0.042 0.000 1.377 21 H HN 0.262 nan 8.280 nan 0.000 0.581 22 L N 1.337 122.381 121.223 -0.299 0.000 2.640 22 L HA 0.184 4.522 4.340 -0.003 0.000 0.230 22 L C 0.190 177.114 176.870 0.091 0.000 1.123 22 L CA -0.247 54.537 54.840 -0.094 0.000 0.900 22 L CB 0.740 42.756 42.059 -0.072 0.000 1.146 22 L HN -0.021 nan 8.230 nan 0.000 0.484 23 V N 0.844 120.806 119.914 0.080 0.000 2.508 23 V HA 0.064 4.182 4.120 -0.003 0.000 0.281 23 V C -0.600 175.613 176.094 0.199 0.000 1.041 23 V CA 0.181 62.565 62.300 0.140 0.000 1.016 23 V CB 0.888 32.761 31.823 0.082 0.000 0.984 23 V HN 0.075 nan 8.190 nan 0.000 0.478 24 F N 3.878 123.834 119.950 0.010 0.000 2.828 24 F HA 0.410 4.935 4.527 -0.004 0.000 0.355 24 F C 0.114 175.893 175.800 -0.035 0.000 1.200 24 F CA -0.859 57.138 58.000 -0.006 0.000 1.062 24 F CB 1.383 40.380 39.000 -0.007 0.000 1.351 24 F HN 0.509 nan 8.300 nan 0.000 0.504 25 D N 6.402 126.623 120.400 -0.298 0.000 2.671 25 D HA -0.013 4.625 4.640 -0.003 0.000 0.228 25 D C -0.272 175.877 176.300 -0.252 0.000 1.102 25 D CA 0.457 54.310 54.000 -0.245 0.000 1.044 25 D CB -0.323 40.348 40.800 -0.215 0.000 1.113 25 D HN 0.250 nan 8.370 nan 0.000 0.480 26 F N 1.737 121.522 119.950 -0.275 0.000 2.427 26 F HA 0.145 4.670 4.527 -0.004 0.000 0.352 26 F C 0.394 176.050 175.800 -0.241 0.000 1.100 26 F CA -0.769 57.096 58.000 -0.225 0.000 1.191 26 F CB 0.931 39.887 39.000 -0.074 0.000 1.128 26 F HN -0.131 nan 8.300 nan 0.000 0.533 27 D N 7.177 127.052 120.400 -0.877 0.000 2.454 27 D HA 0.110 4.748 4.640 -0.003 0.000 0.225 27 D C 0.919 176.687 176.300 -0.887 0.000 1.081 27 D CA -0.451 53.188 54.000 -0.602 0.000 0.864 27 D CB 0.899 41.478 40.800 -0.369 0.000 1.040 27 D HN 0.742 nan 8.370 nan 0.000 0.517 28 M N 1.851 121.090 119.600 -0.602 0.000 2.446 28 M HA -0.098 4.380 4.480 -0.003 0.000 0.263 28 M C 0.247 176.331 176.300 -0.361 0.000 1.066 28 M CA 1.268 56.255 55.300 -0.521 0.000 1.087 28 M CB -0.222 32.252 32.600 -0.209 0.000 1.406 28 M HN 0.228 nan 8.290 nan 0.000 0.459 29 Y N 0.501 120.739 120.300 -0.103 0.000 2.462 29 Y HA 0.281 4.829 4.550 -0.004 0.000 0.261 29 Y C 0.591 176.460 175.900 -0.052 0.000 1.146 29 Y CA -0.073 58.014 58.100 -0.022 0.000 1.283 29 Y CB 0.526 38.978 38.460 -0.015 0.000 1.090 29 Y HN 0.463 nan 8.280 nan 0.000 0.526 30 N N 0.820 119.492 118.700 -0.047 0.000 2.805 30 N HA 0.079 4.817 4.740 -0.003 0.000 0.216 30 N C -3.261 172.116 175.510 -0.223 0.000 1.447 30 N CA -1.007 52.001 53.050 -0.070 0.000 0.785 30 N CB 0.855 39.323 38.487 -0.032 0.000 1.458 30 N HN -0.178 nan 8.380 nan 0.000 0.547 31 P HA 0.078 nan 4.420 nan 0.000 0.268 31 P C 0.714 177.886 177.300 -0.212 0.000 1.205 31 P CA 0.081 62.886 63.100 -0.490 0.000 0.771 31 P CB 1.451 32.834 31.700 -0.528 0.000 0.858 32 S N 1.975 117.557 115.700 -0.197 0.000 2.380 32 S HA -0.212 4.256 4.470 -0.003 0.000 0.229 32 S C 1.429 176.013 174.600 -0.027 0.000 1.043 32 S CA 1.907 60.051 58.200 -0.094 0.000 1.038 32 S CB -0.712 62.438 63.200 -0.084 0.000 0.872 32 S HN 0.633 nan 8.310 nan 0.000 0.456 33 N N 0.821 119.531 118.700 0.017 0.000 2.327 33 N HA 0.161 4.899 4.740 -0.003 0.000 0.231 33 N C 0.879 176.430 175.510 0.068 0.000 1.130 33 N CA -0.144 52.935 53.050 0.048 0.000 0.845 33 N CB -0.246 38.286 38.487 0.076 0.000 1.073 33 N HN 0.155 nan 8.380 nan 0.000 0.496 34 L N 0.403 121.660 121.223 0.057 0.000 2.129 34 L HA -0.160 4.178 4.340 -0.003 0.000 0.212 34 L C 2.095 179.008 176.870 0.071 0.000 1.087 34 L CA 1.885 56.783 54.840 0.097 0.000 0.757 34 L CB -1.006 41.103 42.059 0.084 0.000 0.896 34 L HN 0.370 nan 8.230 nan 0.000 0.434 35 S N -1.012 114.709 115.700 0.034 0.000 2.440 35 S HA -0.101 4.366 4.470 -0.003 0.000 0.238 35 S C 1.906 176.500 174.600 -0.010 0.000 1.010 35 S CA 0.750 58.954 58.200 0.005 0.000 0.972 35 S CB -0.823 62.380 63.200 0.004 0.000 0.774 35 S HN 0.498 nan 8.310 nan 0.000 0.501 36 A N 1.011 123.842 122.820 0.019 0.000 2.218 36 A HA 0.586 4.904 4.320 -0.003 0.000 0.209 36 A C 1.156 178.756 177.584 0.026 0.000 1.168 36 A CA 0.329 52.379 52.037 0.020 0.000 0.804 36 A CB -0.727 18.298 19.000 0.041 0.000 0.834 36 A HN 1.580 nan 8.150 nan 0.000 0.482 37 G N -2.305 106.510 108.800 0.026 0.000 2.627 37 G HA2 0.114 4.072 3.960 -0.003 0.000 0.680 37 G HA3 0.114 4.072 3.960 -0.003 0.000 0.680 37 G C 0.362 175.453 174.900 0.319 0.000 1.341 37 G CA -0.178 44.982 45.100 0.101 0.000 0.835 37 G HN 0.811 nan 8.290 nan 0.000 0.643 38 V N 1.441 121.723 119.914 0.614 0.000 2.343 38 V HA -0.151 3.967 4.120 -0.003 0.000 0.247 38 V C 2.689 179.002 176.094 0.365 0.000 1.051 38 V CA 3.321 65.901 62.300 0.468 0.000 1.036 38 V CB -0.311 31.778 31.823 0.444 0.000 0.654 38 V HN 0.805 nan 8.190 nan 0.000 0.451 39 Q N -0.040 119.859 119.800 0.164 0.000 2.124 39 Q HA -0.219 4.119 4.340 -0.003 0.000 0.202 39 Q C 2.091 178.172 176.000 0.135 0.000 0.977 39 Q CA 2.202 58.031 55.803 0.042 0.000 0.850 39 Q CB -0.284 28.380 28.738 -0.124 0.000 0.901 39 Q HN 0.698 nan 8.270 nan 0.000 0.429 40 E N 0.042 120.326 120.200 0.141 0.000 2.110 40 E HA -0.128 4.220 4.350 -0.003 0.000 0.193 40 E C 1.801 178.503 176.600 0.170 0.000 0.988 40 E CA 1.194 57.664 56.400 0.116 0.000 0.804 40 E CB -0.317 29.439 29.700 0.093 0.000 0.745 40 E HN 0.409 nan 8.360 nan 0.000 0.458 41 A N -0.165 122.803 122.820 0.247 0.000 1.898 41 A HA -0.157 4.161 4.320 -0.003 0.000 0.216 41 A C 1.708 179.493 177.584 0.335 0.000 1.181 41 A CA 1.197 53.392 52.037 0.264 0.000 0.620 41 A CB -0.901 18.256 19.000 0.262 0.000 0.819 41 A HN 0.358 nan 8.150 nan 0.000 0.442 42 W N -0.358 121.054 121.300 0.187 0.000 2.467 42 W HA 0.155 4.813 4.660 -0.003 0.000 0.275 42 W C 2.575 179.041 176.519 -0.088 0.000 1.239 42 W CA 0.913 58.300 57.345 0.070 0.000 1.266 42 W CB -0.243 29.231 29.460 0.024 0.000 1.112 42 W HN 0.357 nan 8.180 nan 0.000 0.576 43 A N 0.418 123.341 122.820 0.171 0.000 2.178 43 A HA -0.113 4.205 4.320 -0.003 0.000 0.218 43 A C 1.977 179.562 177.584 0.003 0.000 1.157 43 A CA 1.734 53.799 52.037 0.047 0.000 0.689 43 A CB -1.198 17.820 19.000 0.030 0.000 0.787 43 A HN 0.259 nan 8.150 nan 0.000 0.465 44 V N -2.450 117.490 119.914 0.042 0.000 2.720 44 V HA -0.148 3.970 4.120 -0.003 0.000 0.256 44 V C 1.933 177.977 176.094 -0.084 0.000 1.082 44 V CA 1.789 64.119 62.300 0.050 0.000 1.101 44 V CB -0.919 31.014 31.823 0.183 0.000 0.693 44 V HN 0.452 nan 8.190 nan 0.000 0.479 45 L N -0.356 120.742 121.223 -0.209 0.000 2.465 45 L HA 0.022 4.359 4.340 -0.003 0.000 0.224 45 L C 2.366 179.047 176.870 -0.314 0.000 1.145 45 L CA 1.124 55.711 54.840 -0.421 0.000 0.834 45 L CB -0.344 41.435 42.059 -0.466 0.000 0.944 45 L HN 0.412 nan 8.230 nan 0.000 0.451 46 Q N -0.561 119.127 119.800 -0.187 0.000 2.172 46 Q HA 0.142 4.480 4.340 -0.003 0.000 0.217 46 Q C -0.218 175.717 176.000 -0.108 0.000 0.832 46 Q CA -0.167 55.552 55.803 -0.140 0.000 1.010 46 Q CB 0.669 29.349 28.738 -0.097 0.000 1.133 46 Q HN 0.436 nan 8.270 nan 0.000 0.489 47 E N 0.420 120.552 120.200 -0.113 0.000 2.373 47 E HA 0.007 4.355 4.350 -0.003 0.000 0.263 47 E C 0.936 177.492 176.600 -0.072 0.000 1.073 47 E CA 0.219 56.579 56.400 -0.067 0.000 0.894 47 E CB 1.002 30.683 29.700 -0.032 0.000 1.008 47 E HN 0.194 nan 8.360 nan 0.000 0.420 48 S N 2.408 118.082 115.700 -0.043 0.000 2.400 48 S HA -0.341 4.127 4.470 -0.003 0.000 0.234 48 S C 1.294 175.872 174.600 -0.037 0.000 1.049 48 S CA 2.170 60.348 58.200 -0.037 0.000 1.039 48 S CB -0.741 62.447 63.200 -0.020 0.000 0.856 48 S HN 0.751 nan 8.310 nan 0.000 0.465 49 N N 0.484 119.167 118.700 -0.027 0.000 2.461 49 N HA 0.124 4.862 4.740 -0.003 0.000 0.188 49 N C -0.382 175.104 175.510 -0.040 0.000 1.134 49 N CA 0.038 53.081 53.050 -0.011 0.000 0.878 49 N CB 0.011 38.514 38.487 0.027 0.000 0.972 49 N HN 0.292 nan 8.380 nan 0.000 0.456 50 V N 1.623 121.467 119.914 -0.117 0.000 2.394 50 V HA 0.352 4.470 4.120 -0.003 0.000 0.282 50 V C -1.950 174.051 176.094 -0.156 0.000 1.031 50 V CA -1.811 60.359 62.300 -0.217 0.000 0.881 50 V CB 1.117 32.663 31.823 -0.461 0.000 0.982 50 V HN 0.064 nan 8.190 nan 0.000 0.451 51 P HA 0.150 nan 4.420 nan 0.000 0.270 51 P C 0.345 177.588 177.300 -0.095 0.000 1.223 51 P CA -0.238 62.828 63.100 -0.057 0.000 0.785 51 P CB 0.631 32.337 31.700 0.010 0.000 0.923 52 D N -0.221 120.125 120.400 -0.090 0.000 2.178 52 D HA -0.068 4.570 4.640 -0.003 0.000 0.201 52 D C 0.407 176.645 176.300 -0.104 0.000 0.980 52 D CA 1.496 55.418 54.000 -0.130 0.000 0.842 52 D CB -0.116 40.575 40.800 -0.183 0.000 0.948 52 D HN 0.068 nan 8.370 nan 0.000 0.472 53 L N 0.565 121.763 121.223 -0.041 0.000 2.404 53 L HA 0.355 4.693 4.340 -0.003 0.000 0.272 53 L C -0.742 176.235 176.870 0.179 0.000 0.980 53 L CA -0.945 53.928 54.840 0.055 0.000 0.836 53 L CB 1.806 43.878 42.059 0.022 0.000 1.238 53 L HN -0.150 nan 8.230 nan 0.000 0.408 54 V N 1.653 121.712 119.914 0.243 0.000 3.113 54 V HA 0.690 4.808 4.120 -0.003 0.000 0.316 54 V C -1.291 175.056 176.094 0.423 0.000 1.125 54 V CA -0.777 61.699 62.300 0.294 0.000 1.026 54 V CB 2.099 33.997 31.823 0.125 0.000 1.080 54 V HN 0.929 nan 8.190 nan 0.000 0.444 55 W N 1.872 123.187 121.300 0.025 0.000 2.532 55 W HA 0.655 5.313 4.660 -0.003 0.000 0.321 55 W C -0.975 175.404 176.519 -0.233 0.000 1.037 55 W CA -0.234 56.924 57.345 -0.311 0.000 1.220 55 W CB 1.896 30.922 29.460 -0.723 0.000 1.361 55 W HN 0.880 nan 8.180 nan 0.000 0.468 56 T N 5.151 119.181 114.554 -0.873 0.000 2.859 56 T HA 0.388 4.736 4.350 -0.003 0.000 0.281 56 T C 0.898 175.106 174.700 -0.819 0.000 1.005 56 T CA -0.430 61.295 62.100 -0.625 0.000 1.025 56 T CB 1.209 69.755 68.868 -0.535 0.000 0.977 56 T HN 0.633 nan 8.240 nan 0.000 0.458 57 R N 1.924 122.231 120.500 -0.321 0.000 2.310 57 R HA 0.209 4.547 4.340 -0.003 0.000 0.202 57 R C 0.498 176.702 176.300 -0.159 0.000 0.933 57 R CA -0.203 55.813 56.100 -0.138 0.000 1.054 57 R CB -0.250 30.060 30.300 0.018 0.000 0.985 57 R HN 0.548 nan 8.270 nan 0.000 0.489 58 C N 1.258 120.424 119.300 -0.223 0.000 2.595 58 C HA 0.112 4.570 4.460 -0.003 0.000 0.384 58 C C 0.880 175.836 174.990 -0.057 0.000 1.289 58 C CA -0.460 58.480 59.018 -0.130 0.000 2.372 58 C CB 0.085 27.740 27.740 -0.142 0.000 2.593 58 C HN 0.675 nan 8.230 nan 0.000 0.639 59 N N 0.600 119.314 118.700 0.023 0.000 2.716 59 N HA -0.153 4.585 4.740 -0.003 0.000 0.250 59 N C 0.734 176.296 175.510 0.087 0.000 1.033 59 N CA 0.950 54.057 53.050 0.095 0.000 0.727 59 N CB -1.143 37.468 38.487 0.207 0.000 0.950 59 N HN 1.364 nan 8.380 nan 0.000 0.541 60 G N -1.984 106.840 108.800 0.040 0.000 2.217 60 G HA2 0.107 4.065 3.960 -0.003 0.000 0.246 60 G HA3 0.107 4.065 3.960 -0.003 0.000 0.246 60 G C 0.538 175.461 174.900 0.038 0.000 0.990 60 G CA 0.304 45.435 45.100 0.051 0.000 0.627 60 G HN 1.618 nan 8.290 nan 0.000 0.522 61 G N -0.686 108.059 108.800 -0.092 0.000 3.338 61 G HA2 0.575 4.533 3.960 -0.003 0.000 0.686 61 G HA3 0.575 4.533 3.960 -0.003 0.000 0.686 61 G C -0.537 173.905 174.900 -0.763 0.000 1.053 61 G CA 0.622 45.478 45.100 -0.405 0.000 0.852 61 G HN 2.848 nan 8.290 nan 0.000 0.545 62 H N -1.561 116.519 119.070 -1.650 0.000 2.987 62 H HA 0.655 5.209 4.556 -0.003 0.000 0.316 62 H C -0.601 174.071 175.328 -1.093 0.000 1.380 62 H CA -1.605 53.725 56.048 -1.196 0.000 1.160 62 H CB 0.124 29.643 29.762 -0.404 0.000 1.865 62 H HN 0.656 nan 8.280 nan 0.000 0.521 63 W N 0.896 122.124 121.300 -0.121 0.000 2.183 63 W HA 0.631 5.289 4.660 -0.004 0.000 0.348 63 W C -0.245 176.344 176.519 0.117 0.000 1.257 63 W CA -0.580 56.818 57.345 0.088 0.000 1.324 63 W CB 0.837 30.459 29.460 0.269 0.000 1.144 63 W HN 0.452 nan 8.180 nan 0.000 0.622 64 I N 2.267 123.051 120.570 0.357 0.000 2.534 64 I HA 0.333 4.501 4.170 -0.003 0.000 0.286 64 I C -0.421 175.774 176.117 0.130 0.000 1.094 64 I CA -1.120 60.301 61.300 0.201 0.000 1.055 64 I CB 1.349 39.399 38.000 0.083 0.000 1.225 64 I HN 0.439 nan 8.210 nan 0.000 0.435 65 A N 3.272 126.136 122.820 0.073 0.000 2.320 65 A HA 0.523 4.841 4.320 -0.003 0.000 0.287 65 A C 0.934 178.495 177.584 -0.038 0.000 1.181 65 A CA -0.081 51.961 52.037 0.007 0.000 0.831 65 A CB 0.291 19.275 19.000 -0.028 0.000 1.102 65 A HN 0.852 nan 8.150 nan 0.000 0.513 66 T N -0.251 114.253 114.554 -0.082 0.000 3.023 66 T HA 0.247 4.595 4.350 -0.003 0.000 0.253 66 T C 0.590 175.224 174.700 -0.109 0.000 1.038 66 T CA -0.090 61.943 62.100 -0.112 0.000 0.962 66 T CB 0.066 68.832 68.868 -0.171 0.000 1.018 66 T HN 0.517 nan 8.240 nan 0.000 0.521 67 R N 0.259 120.689 120.500 -0.116 0.000 2.740 67 R HA 0.594 4.931 4.340 -0.003 0.000 0.282 67 R C 1.506 177.743 176.300 -0.105 0.000 0.969 67 R CA -0.319 55.711 56.100 -0.116 0.000 0.918 67 R CB 1.170 31.385 30.300 -0.142 0.000 1.175 67 R HN 0.212 nan 8.270 nan 0.000 0.464 68 G N 0.995 109.741 108.800 -0.089 0.000 2.469 68 G HA2 -0.334 3.624 3.960 -0.003 0.000 0.220 68 G HA3 -0.334 3.624 3.960 -0.003 0.000 0.220 68 G C 1.079 175.923 174.900 -0.092 0.000 1.136 68 G CA 0.802 45.852 45.100 -0.084 0.000 0.759 68 G HN 0.636 nan 8.290 nan 0.000 0.562 69 Q N -0.628 119.113 119.800 -0.098 0.000 2.061 69 Q HA -0.108 4.230 4.340 -0.003 0.000 0.204 69 Q C 2.524 178.477 176.000 -0.078 0.000 0.984 69 Q CA 1.284 57.038 55.803 -0.083 0.000 0.846 69 Q CB -0.168 28.514 28.738 -0.093 0.000 0.902 69 Q HN 0.419 nan 8.270 nan 0.000 0.421 70 L N 0.220 121.340 121.223 -0.172 0.000 2.093 70 L HA -0.141 4.197 4.340 -0.003 0.000 0.208 70 L C 2.196 179.069 176.870 0.005 0.000 1.085 70 L CA 1.247 56.011 54.840 -0.126 0.000 0.755 70 L CB -0.416 41.475 42.059 -0.281 0.000 0.904 70 L HN 0.285 nan 8.230 nan 0.000 0.435 71 I N -0.855 119.676 120.570 -0.064 0.000 2.163 71 I HA -0.329 3.839 4.170 -0.003 0.000 0.243 71 I C 2.663 178.777 176.117 -0.006 0.000 1.085 71 I CA 1.303 62.556 61.300 -0.077 0.000 1.347 71 I CB -0.270 37.724 38.000 -0.011 0.000 1.044 71 I HN 0.204 nan 8.210 nan 0.000 0.408 72 R N 0.512 120.998 120.500 -0.024 0.000 2.066 72 R HA -0.156 4.182 4.340 -0.003 0.000 0.232 72 R C 2.231 178.634 176.300 0.171 0.000 1.131 72 R CA 1.385 57.438 56.100 -0.077 0.000 0.955 72 R CB -0.293 29.815 30.300 -0.320 0.000 0.851 72 R HN 0.415 nan 8.270 nan 0.000 0.432 73 E N 0.379 120.676 120.200 0.160 0.000 2.085 73 E HA -0.204 4.144 4.350 -0.003 0.000 0.194 73 E C 2.042 178.763 176.600 0.201 0.000 0.994 73 E CA 1.267 57.827 56.400 0.267 0.000 0.801 73 E CB -0.101 29.848 29.700 0.415 0.000 0.743 73 E HN 0.378 nan 8.360 nan 0.000 0.453 74 A N 0.452 123.231 122.820 -0.069 0.000 1.898 74 A HA -0.175 4.143 4.320 -0.003 0.000 0.216 74 A C 1.790 179.232 177.584 -0.236 0.000 1.181 74 A CA 1.156 52.807 52.037 -0.643 0.000 0.620 74 A CB -0.683 17.505 19.000 -1.352 0.000 0.819 74 A HN 0.254 nan 8.150 nan 0.000 0.442 75 Y N 0.483 120.806 120.300 0.038 0.000 2.421 75 Y HA -0.092 4.456 4.550 -0.003 0.000 0.292 75 Y C 2.311 178.360 175.900 0.248 0.000 1.136 75 Y CA 1.342 59.547 58.100 0.174 0.000 1.255 75 Y CB -0.255 38.347 38.460 0.238 0.000 0.991 75 Y HN 0.494 nan 8.280 nan 0.000 0.552 76 E N -0.925 119.510 120.200 0.392 0.000 2.170 76 E HA -0.111 4.237 4.350 -0.003 0.000 0.191 76 E C 0.392 177.139 176.600 0.246 0.000 0.981 76 E CA 0.690 57.271 56.400 0.302 0.000 0.830 76 E CB 0.092 29.954 29.700 0.270 0.000 0.775 76 E HN 0.118 nan 8.360 nan 0.000 0.470 77 D N 0.338 120.884 120.400 0.245 0.000 2.563 77 D HA -0.021 4.617 4.640 -0.003 0.000 0.222 77 D C 0.335 176.732 176.300 0.162 0.000 1.145 77 D CA -0.374 53.715 54.000 0.148 0.000 1.001 77 D CB -0.128 40.852 40.800 0.299 0.000 1.049 77 D HN 0.192 nan 8.370 nan 0.000 0.515 78 Y N 0.903 121.297 120.300 0.157 0.000 2.571 78 Y HA 0.112 4.660 4.550 -0.003 0.000 0.294 78 Y C 1.771 177.677 175.900 0.010 0.000 1.141 78 Y CA 0.216 58.394 58.100 0.131 0.000 1.308 78 Y CB -0.262 38.282 38.460 0.139 0.000 1.002 78 Y HN 0.042 nan 8.280 nan 0.000 0.551 79 R N 0.143 120.427 120.500 -0.359 0.000 2.092 79 R HA -0.098 4.239 4.340 -0.003 0.000 0.231 79 R C 1.249 177.273 176.300 -0.460 0.000 1.119 79 R CA 1.901 57.770 56.100 -0.386 0.000 0.970 79 R CB -0.618 29.332 30.300 -0.584 0.000 0.864 79 R HN 0.594 nan 8.270 nan 0.000 0.440 80 H N -1.830 116.999 119.070 -0.401 0.000 2.516 80 H HA 0.139 4.693 4.556 -0.003 0.000 0.284 80 H C -0.183 174.710 175.328 -0.725 0.000 0.999 80 H CA 0.178 55.798 56.048 -0.712 0.000 1.303 80 H CB 0.379 29.361 29.762 -1.300 0.000 1.452 80 H HN -0.050 nan 8.280 nan 0.000 0.530 81 F N 1.138 121.081 119.950 -0.011 0.000 2.311 81 F HA 0.301 4.826 4.527 -0.004 0.000 0.371 81 F C 0.238 176.074 175.800 0.060 0.000 1.083 81 F CA -0.712 57.284 58.000 -0.007 0.000 1.113 81 F CB 1.230 40.183 39.000 -0.079 0.000 1.349 81 F HN -0.102 nan 8.300 nan 0.000 0.470 82 S N 0.992 116.792 115.700 0.166 0.000 2.562 82 S HA 0.254 4.722 4.470 -0.003 0.000 0.275 82 S C 1.063 175.736 174.600 0.122 0.000 1.281 82 S CA -0.331 57.958 58.200 0.149 0.000 1.045 82 S CB 0.836 64.090 63.200 0.091 0.000 0.962 82 S HN 0.631 nan 8.310 nan 0.000 0.503 83 S N 2.798 118.560 115.700 0.103 0.000 2.605 83 S HA 0.179 4.647 4.470 -0.003 0.000 0.217 83 S C 1.017 175.609 174.600 -0.012 0.000 0.958 83 S CA -0.134 58.066 58.200 0.000 0.000 0.919 83 S CB -0.254 62.861 63.200 -0.140 0.000 0.780 83 S HN 0.824 nan 8.310 nan 0.000 0.507 84 E N 0.212 120.431 120.200 0.032 0.000 2.153 84 E HA -0.078 4.270 4.350 -0.003 0.000 0.194 84 E C 0.312 176.907 176.600 -0.008 0.000 0.988 84 E CA 0.820 57.236 56.400 0.027 0.000 0.811 84 E CB 0.061 29.785 29.700 0.039 0.000 0.746 84 E HN 0.578 nan 8.360 nan 0.000 0.466 85 C N 1.439 120.724 119.300 -0.024 0.000 3.002 85 C HA 0.323 4.781 4.460 -0.003 0.000 0.248 85 C C -1.959 172.988 174.990 -0.072 0.000 1.153 85 C CA -1.632 57.354 59.018 -0.054 0.000 1.502 85 C CB 0.532 28.269 27.740 -0.004 0.000 1.805 85 C HN 0.176 nan 8.230 nan 0.000 0.450 86 P HA 0.136 nan 4.420 nan 0.000 0.251 86 P C 0.100 177.471 177.300 0.118 0.000 1.223 86 P CA 0.444 63.473 63.100 -0.118 0.000 0.796 86 P CB 0.193 31.705 31.700 -0.314 0.000 1.068 87 F N -0.187 119.568 119.950 -0.325 0.000 2.538 87 F HA 0.491 5.016 4.527 -0.004 0.000 0.325 87 F C 0.745 176.446 175.800 -0.165 0.000 1.066 87 F CA -1.553 56.303 58.000 -0.240 0.000 0.946 87 F CB 2.049 40.871 39.000 -0.296 0.000 1.199 87 F HN -0.412 nan 8.300 nan 0.000 0.473 88 I N 3.860 124.441 120.570 0.018 0.000 2.493 88 I HA 0.310 4.478 4.170 -0.003 0.000 0.298 88 I C -2.081 174.128 176.117 0.153 0.000 0.998 88 I CA -2.111 59.174 61.300 -0.026 0.000 1.137 88 I CB 2.163 39.996 38.000 -0.278 0.000 1.310 88 I HN 0.274 nan 8.210 nan 0.000 0.445 89 P HA 0.117 nan 4.420 nan 0.000 0.275 89 P C 0.288 177.611 177.300 0.038 0.000 1.266 89 P CA -0.396 62.748 63.100 0.074 0.000 0.793 89 P CB 0.946 32.688 31.700 0.070 0.000 1.074 90 R N 0.353 120.874 120.500 0.036 0.000 2.117 90 R HA -0.208 4.130 4.340 -0.003 0.000 0.243 90 R C 1.916 178.220 176.300 0.008 0.000 1.143 90 R CA 2.021 58.137 56.100 0.027 0.000 0.968 90 R CB -0.324 30.005 30.300 0.049 0.000 0.863 90 R HN 0.436 nan 8.270 nan 0.000 0.444 91 E N 0.108 120.319 120.200 0.019 0.000 2.085 91 E HA -0.186 4.162 4.350 -0.003 0.000 0.194 91 E C 1.836 178.426 176.600 -0.017 0.000 0.994 91 E CA 1.609 58.021 56.400 0.019 0.000 0.801 91 E CB -0.249 29.476 29.700 0.041 0.000 0.743 91 E HN 0.474 nan 8.360 nan 0.000 0.453 92 A N 0.737 123.527 122.820 -0.050 0.000 1.872 92 A HA 0.004 4.322 4.320 -0.003 0.000 0.214 92 A C 2.492 179.784 177.584 -0.487 0.000 1.187 92 A CA 1.560 53.424 52.037 -0.288 0.000 0.614 92 A CB -1.248 17.683 19.000 -0.115 0.000 0.826 92 A HN 0.347 nan 8.150 nan 0.000 0.442 93 G N -0.426 108.248 108.800 -0.210 0.000 2.442 93 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.219 93 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.219 93 G C 1.433 176.240 174.900 -0.155 0.000 1.141 93 G CA 1.070 46.056 45.100 -0.190 0.000 0.763 93 G HN 0.656 nan 8.290 nan 0.000 0.554 94 E N 0.275 120.418 120.200 -0.096 0.000 2.107 94 E HA 0.073 4.421 4.350 -0.003 0.000 0.191 94 E C 2.846 179.418 176.600 -0.047 0.000 0.982 94 E CA 0.622 56.994 56.400 -0.046 0.000 0.809 94 E CB -0.088 29.606 29.700 -0.010 0.000 0.756 94 E HN 0.421 nan 8.360 nan 0.000 0.459 95 A N 0.757 123.536 122.820 -0.069 0.000 2.016 95 A HA -0.113 4.205 4.320 -0.003 0.000 0.217 95 A C 0.758 178.318 177.584 -0.040 0.000 1.162 95 A CA 0.158 52.199 52.037 0.006 0.000 0.662 95 A CB -0.417 18.682 19.000 0.165 0.000 0.812 95 A HN 0.305 nan 8.150 nan 0.000 0.450 96 Y N 2.484 122.531 120.300 -0.421 0.000 2.745 96 Y HA 0.166 4.714 4.550 -0.003 0.000 0.335 96 Y C 0.258 175.955 175.900 -0.338 0.000 1.212 96 Y CA -0.049 57.728 58.100 -0.540 0.000 1.535 96 Y CB 0.425 38.351 38.460 -0.890 0.000 1.220 96 Y HN 0.454 nan 8.280 nan 0.000 0.531 97 D N 3.973 124.072 120.400 -0.502 0.000 2.636 97 D HA 0.032 4.670 4.640 -0.003 0.000 0.270 97 D C -0.631 175.567 176.300 -0.169 0.000 1.430 97 D CA -0.371 53.513 54.000 -0.193 0.000 0.796 97 D CB -0.951 39.805 40.800 -0.073 0.000 1.117 97 D HN 0.148 nan 8.370 nan 0.000 0.480 98 F N 1.208 120.930 119.950 -0.380 0.000 2.545 98 F HA 0.295 4.820 4.527 -0.003 0.000 0.348 98 F C 1.219 176.972 175.800 -0.078 0.000 1.163 98 F CA -0.551 57.307 58.000 -0.237 0.000 1.331 98 F CB 0.418 39.187 39.000 -0.386 0.000 1.138 98 F HN -0.113 nan 8.300 nan 0.000 0.602 99 I N 4.123 124.767 120.570 0.123 0.000 2.474 99 I HA 0.230 4.398 4.170 -0.003 0.000 0.294 99 I C -1.761 174.376 176.117 0.034 0.000 1.005 99 I CA -1.794 59.478 61.300 -0.047 0.000 1.113 99 I CB 2.327 40.117 38.000 -0.350 0.000 1.289 99 I HN 0.361 nan 8.210 nan 0.000 0.436 100 P HA 0.056 nan 4.420 nan 0.000 0.251 100 P C 1.123 178.584 177.300 0.267 0.000 1.223 100 P CA 0.404 63.576 63.100 0.120 0.000 0.796 100 P CB 0.135 31.941 31.700 0.176 0.000 1.068 101 T N -0.284 114.450 114.554 0.301 0.000 2.803 101 T HA -0.149 4.199 4.350 -0.003 0.000 0.269 101 T C 1.726 176.523 174.700 0.162 0.000 1.052 101 T CA 2.050 64.309 62.100 0.264 0.000 1.136 101 T CB -0.795 68.266 68.868 0.322 0.000 0.864 101 T HN 0.297 nan 8.240 nan 0.000 0.467 102 S N 0.074 115.933 115.700 0.265 0.000 2.650 102 S HA 0.284 4.751 4.470 -0.003 0.000 0.219 102 S C 0.478 175.149 174.600 0.118 0.000 0.960 102 S CA -0.284 58.023 58.200 0.179 0.000 0.925 102 S CB -0.538 62.795 63.200 0.222 0.000 0.775 102 S HN 0.372 nan 8.310 nan 0.000 0.525 103 M N 1.825 121.524 119.600 0.165 0.000 2.528 103 M HA 0.509 4.987 4.480 -0.003 0.000 0.321 103 M C -1.004 175.426 176.300 0.217 0.000 1.153 103 M CA -0.680 54.711 55.300 0.151 0.000 0.951 103 M CB 1.591 34.261 32.600 0.117 0.000 1.705 103 M HN 0.007 nan 8.290 nan 0.000 0.451 104 D N 1.800 122.280 120.400 0.134 0.000 2.326 104 D HA 0.500 5.138 4.640 -0.003 0.000 0.251 104 D C -2.473 173.780 176.300 -0.079 0.000 1.023 104 D CA -1.244 52.803 54.000 0.078 0.000 0.966 104 D CB 1.256 42.119 40.800 0.105 0.000 1.156 104 D HN 0.157 nan 8.370 nan 0.000 0.494 105 P HA 0.116 nan 4.420 nan 0.000 0.272 105 P C -1.649 175.551 177.300 -0.167 0.000 1.230 105 P CA -0.823 62.063 63.100 -0.356 0.000 0.788 105 P CB 0.382 31.641 31.700 -0.735 0.000 0.949 106 P HA -0.093 nan 4.420 nan 0.000 0.224 106 P C 1.283 178.569 177.300 -0.024 0.000 1.157 106 P CA 1.105 64.175 63.100 -0.051 0.000 0.799 106 P CB 0.178 31.873 31.700 -0.008 0.000 0.809 107 E N 0.572 120.785 120.200 0.021 0.000 2.097 107 E HA -0.260 4.088 4.350 -0.003 0.000 0.196 107 E C 2.285 178.988 176.600 0.172 0.000 1.000 107 E CA 1.097 57.553 56.400 0.093 0.000 0.804 107 E CB -0.236 29.536 29.700 0.121 0.000 0.740 107 E HN 0.209 nan 8.360 nan 0.000 0.454 108 Q N 0.508 120.376 119.800 0.113 0.000 2.096 108 Q HA -0.235 4.103 4.340 -0.003 0.000 0.204 108 Q C 2.188 178.267 176.000 0.131 0.000 0.982 108 Q CA 1.432 57.324 55.803 0.150 0.000 0.850 108 Q CB -0.058 28.670 28.738 -0.017 0.000 0.901 108 Q HN 0.280 nan 8.270 nan 0.000 0.422 109 R N 0.405 120.902 120.500 -0.006 0.000 2.112 109 R HA -0.244 4.094 4.340 -0.003 0.000 0.242 109 R C 2.518 178.790 176.300 -0.046 0.000 1.137 109 R CA 2.251 58.325 56.100 -0.043 0.000 0.944 109 R CB -0.669 29.587 30.300 -0.073 0.000 0.857 109 R HN 0.608 nan 8.270 nan 0.000 0.435 110 Q N -0.148 119.580 119.800 -0.121 0.000 2.248 110 Q HA -0.173 4.165 4.340 -0.003 0.000 0.208 110 Q C 1.626 177.441 176.000 -0.308 0.000 0.984 110 Q CA 1.712 57.355 55.803 -0.267 0.000 0.875 110 Q CB -0.421 28.055 28.738 -0.435 0.000 0.910 110 Q HN 0.369 nan 8.270 nan 0.000 0.433 111 F N 0.805 120.749 119.950 -0.010 0.000 2.512 111 F HA 0.155 4.680 4.527 -0.003 0.000 0.296 111 F C 2.356 178.158 175.800 0.003 0.000 1.110 111 F CA 0.327 58.330 58.000 0.004 0.000 1.446 111 F CB 0.050 39.063 39.000 0.022 0.000 1.092 111 F HN -0.071 nan 8.300 nan 0.000 0.554 112 R N 0.365 120.946 120.500 0.135 0.000 2.096 112 R HA -0.119 4.219 4.340 -0.003 0.000 0.235 112 R C 2.470 178.797 176.300 0.045 0.000 1.127 112 R CA 1.150 57.295 56.100 0.075 0.000 0.968 112 R CB -0.650 29.664 30.300 0.023 0.000 0.861 112 R HN 0.278 nan 8.270 nan 0.000 0.440 113 A N 1.111 123.940 122.820 0.016 0.000 1.933 113 A HA -0.163 4.155 4.320 -0.003 0.000 0.218 113 A C 2.044 179.638 177.584 0.016 0.000 1.175 113 A CA 1.087 53.125 52.037 0.003 0.000 0.628 113 A CB -0.407 18.579 19.000 -0.024 0.000 0.814 113 A HN 0.233 nan 8.150 nan 0.000 0.444 114 L N -0.352 120.889 121.223 0.029 0.000 2.056 114 L HA 0.011 4.349 4.340 -0.003 0.000 0.207 114 L C 2.646 179.550 176.870 0.057 0.000 1.078 114 L CA 2.095 56.961 54.840 0.043 0.000 0.749 114 L CB -0.814 41.285 42.059 0.067 0.000 0.901 114 L HN 0.326 nan 8.230 nan 0.000 0.433 115 A N -0.529 122.337 122.820 0.078 0.000 1.933 115 A HA -0.261 4.057 4.320 -0.003 0.000 0.218 115 A C 2.183 179.799 177.584 0.054 0.000 1.175 115 A CA 1.789 53.869 52.037 0.073 0.000 0.628 115 A CB -0.996 18.055 19.000 0.083 0.000 0.814 115 A HN 0.607 nan 8.150 nan 0.000 0.444 116 N N -0.276 118.451 118.700 0.045 0.000 2.223 116 N HA -0.170 4.568 4.740 -0.003 0.000 0.185 116 N C 1.853 177.382 175.510 0.031 0.000 1.016 116 N CA 1.560 54.634 53.050 0.040 0.000 0.863 116 N CB -0.249 38.258 38.487 0.032 0.000 0.983 116 N HN 0.612 nan 8.380 nan 0.000 0.429 117 Q N -0.729 119.085 119.800 0.023 0.000 2.224 117 Q HA -0.078 4.260 4.340 -0.003 0.000 0.203 117 Q C 1.699 177.706 176.000 0.011 0.000 0.970 117 Q CA 1.489 57.299 55.803 0.012 0.000 0.865 117 Q CB 0.214 28.957 28.738 0.008 0.000 0.922 117 Q HN 0.520 nan 8.270 nan 0.000 0.445 118 V N -3.429 116.498 119.914 0.021 0.000 3.621 118 V HA 0.087 4.205 4.120 -0.003 0.000 0.263 118 V C 1.456 177.563 176.094 0.022 0.000 1.272 118 V CA 0.466 62.773 62.300 0.013 0.000 1.080 118 V CB 0.665 32.497 31.823 0.014 0.000 0.816 118 V HN 0.185 nan 8.190 nan 0.000 0.451 119 V N -2.308 117.631 119.914 0.043 0.000 3.337 119 V HA 0.734 4.852 4.120 -0.003 0.000 0.307 119 V C 0.977 177.106 176.094 0.059 0.000 1.505 119 V CA 0.284 62.618 62.300 0.057 0.000 1.072 119 V CB -0.489 31.384 31.823 0.084 0.000 0.929 119 V HN 0.428 nan 8.190 nan 0.000 0.455 120 G N -0.171 108.664 108.800 0.058 0.000 2.553 120 G HA2 0.363 4.321 3.960 -0.003 0.000 0.278 120 G HA3 0.363 4.321 3.960 -0.003 0.000 0.278 120 G C 0.508 175.445 174.900 0.062 0.000 1.349 120 G CA 0.103 45.257 45.100 0.090 0.000 1.037 120 G HN 0.145 nan 8.290 nan 0.000 0.508 121 M N 0.366 119.968 119.600 0.003 0.000 2.065 121 M HA -0.006 4.472 4.480 -0.003 0.000 0.259 121 M C -0.273 175.987 176.300 -0.067 0.000 1.069 121 M CA 1.790 57.014 55.300 -0.127 0.000 1.110 121 M CB -0.991 31.401 32.600 -0.346 0.000 1.328 121 M HN 0.294 nan 8.290 nan 0.000 0.405 122 P HA -0.129 nan 4.420 nan 0.000 0.220 122 P C 1.405 178.692 177.300 -0.021 0.000 1.144 122 P CA 1.128 64.207 63.100 -0.035 0.000 0.800 122 P CB -0.087 31.595 31.700 -0.029 0.000 0.772 123 V N -1.561 118.346 119.914 -0.011 0.000 2.725 123 V HA -0.099 4.019 4.120 -0.003 0.000 0.247 123 V C 2.316 178.408 176.094 -0.003 0.000 1.058 123 V CA 1.081 63.377 62.300 -0.007 0.000 1.080 123 V CB -0.717 31.105 31.823 -0.001 0.000 0.713 123 V HN -0.047 nan 8.190 nan 0.000 0.465 124 V N 1.898 121.814 119.914 0.004 0.000 2.270 124 V HA -0.241 3.877 4.120 -0.003 0.000 0.245 124 V C 2.523 178.623 176.094 0.009 0.000 1.043 124 V CA 2.231 64.540 62.300 0.014 0.000 1.014 124 V CB -0.899 30.942 31.823 0.031 0.000 0.645 124 V HN 0.816 nan 8.190 nan 0.000 0.447 125 D N 0.685 121.083 120.400 -0.004 0.000 2.265 125 D HA -0.281 4.357 4.640 -0.003 0.000 0.208 125 D C 1.934 178.235 176.300 0.001 0.000 0.977 125 D CA 1.624 55.623 54.000 -0.003 0.000 0.871 125 D CB -0.287 40.503 40.800 -0.017 0.000 0.925 125 D HN 0.532 nan 8.370 nan 0.000 0.485 126 K N 0.475 120.874 120.400 -0.003 0.000 2.137 126 K HA 0.019 4.337 4.320 -0.003 0.000 0.202 126 K C 2.181 178.782 176.600 0.001 0.000 1.052 126 K CA 0.166 56.450 56.287 -0.004 0.000 0.961 126 K CB 0.056 32.550 32.500 -0.010 0.000 0.741 126 K HN 0.182 nan 8.250 nan 0.000 0.452 127 L N 1.047 122.272 121.223 0.003 0.000 2.558 127 L HA 0.047 4.385 4.340 -0.003 0.000 0.225 127 L C 2.127 179.011 176.870 0.025 0.000 1.128 127 L CA 0.117 54.960 54.840 0.005 0.000 0.868 127 L CB -0.158 41.898 42.059 -0.005 0.000 1.006 127 L HN 0.320 nan 8.230 nan 0.000 0.454 128 E N 1.397 121.614 120.200 0.029 0.000 2.095 128 E HA -0.341 4.007 4.350 -0.003 0.000 0.212 128 E C 1.625 178.259 176.600 0.056 0.000 1.044 128 E CA 2.444 58.871 56.400 0.046 0.000 0.857 128 E CB -0.068 29.654 29.700 0.035 0.000 0.764 128 E HN 0.614 nan 8.360 nan 0.000 0.462 129 N N -0.659 118.066 118.700 0.042 0.000 2.120 129 N HA -0.147 4.591 4.740 -0.003 0.000 0.188 129 N C 1.977 177.520 175.510 0.056 0.000 1.024 129 N CA 0.662 53.739 53.050 0.045 0.000 0.852 129 N CB -0.025 38.480 38.487 0.030 0.000 1.003 129 N HN 0.068 nan 8.380 nan 0.000 0.424 130 R N 1.113 121.642 120.500 0.048 0.000 2.081 130 R HA -0.011 4.327 4.340 -0.003 0.000 0.235 130 R C 2.152 178.508 176.300 0.094 0.000 1.131 130 R CA 0.751 56.883 56.100 0.053 0.000 0.960 130 R CB -0.840 29.475 30.300 0.026 0.000 0.856 130 R HN 0.380 nan 8.270 nan 0.000 0.436 131 I N 0.770 121.404 120.570 0.106 0.000 2.179 131 I HA -0.303 3.864 4.170 -0.003 0.000 0.242 131 I C 2.645 178.937 176.117 0.290 0.000 1.088 131 I CA 1.292 62.711 61.300 0.198 0.000 1.357 131 I CB -0.321 37.774 38.000 0.158 0.000 1.051 131 I HN 0.097 nan 8.210 nan 0.000 0.409 132 Q N 1.509 121.418 119.800 0.182 0.000 2.061 132 Q HA -0.254 4.084 4.340 -0.003 0.000 0.204 132 Q C 1.938 178.010 176.000 0.119 0.000 0.984 132 Q CA 1.981 57.870 55.803 0.142 0.000 0.846 132 Q CB -0.181 28.613 28.738 0.093 0.000 0.902 132 Q HN 0.478 nan 8.270 nan 0.000 0.421 133 E N -0.516 119.746 120.200 0.103 0.000 2.110 133 E HA -0.166 4.181 4.350 -0.003 0.000 0.193 133 E C 1.880 178.539 176.600 0.098 0.000 0.988 133 E CA 1.020 57.468 56.400 0.081 0.000 0.804 133 E CB -0.202 29.535 29.700 0.062 0.000 0.745 133 E HN 0.291 nan 8.360 nan 0.000 0.458 134 L N 0.938 122.252 121.223 0.151 0.000 2.056 134 L HA -0.065 4.273 4.340 -0.003 0.000 0.207 134 L C 2.178 179.144 176.870 0.159 0.000 1.078 134 L CA 1.856 56.802 54.840 0.177 0.000 0.749 134 L CB -0.642 41.566 42.059 0.249 0.000 0.901 134 L HN 0.033 nan 8.230 nan 0.000 0.433 135 A N -1.118 121.778 122.820 0.127 0.000 1.883 135 A HA -0.255 4.063 4.320 -0.003 0.000 0.217 135 A C 2.398 179.997 177.584 0.026 0.000 1.186 135 A CA 1.983 53.949 52.037 -0.119 0.000 0.624 135 A CB -1.511 17.330 19.000 -0.265 0.000 0.822 135 A HN 0.621 nan 8.150 nan 0.000 0.444 136 C N -1.286 118.030 119.300 0.026 0.000 2.429 136 C HA -0.051 4.407 4.460 -0.003 0.000 0.277 136 C C 3.302 178.298 174.990 0.010 0.000 1.262 136 C CA 1.328 60.349 59.018 0.004 0.000 1.733 136 C CB -1.180 26.564 27.740 0.007 0.000 2.010 136 C HN 0.687 nan 8.230 nan 0.000 0.483 137 S N 0.310 116.032 115.700 0.037 0.000 2.356 137 S HA -0.085 4.383 4.470 -0.003 0.000 0.223 137 S C 1.771 176.401 174.600 0.050 0.000 1.032 137 S CA 1.351 59.574 58.200 0.038 0.000 1.005 137 S CB -0.286 62.942 63.200 0.048 0.000 0.867 137 S HN 0.596 nan 8.310 nan 0.000 0.449 138 L N 0.805 122.080 121.223 0.087 0.000 2.046 138 L HA -0.078 4.260 4.340 -0.003 0.000 0.208 138 L C 2.363 179.309 176.870 0.128 0.000 1.077 138 L CA 1.316 56.235 54.840 0.132 0.000 0.747 138 L CB -0.508 41.663 42.059 0.187 0.000 0.896 138 L HN 0.373 nan 8.230 nan 0.000 0.432 139 I N -0.453 120.162 120.570 0.074 0.000 2.252 139 I HA -0.238 3.930 4.170 -0.003 0.000 0.245 139 I C 2.585 178.597 176.117 -0.175 0.000 1.102 139 I CA 0.960 62.180 61.300 -0.133 0.000 1.385 139 I CB -0.221 37.616 38.000 -0.272 0.000 1.064 139 I HN 0.243 nan 8.210 nan 0.000 0.414 140 E N 1.450 121.591 120.200 -0.098 0.000 2.110 140 E HA -0.202 4.146 4.350 -0.003 0.000 0.193 140 E C 2.178 178.761 176.600 -0.028 0.000 0.988 140 E CA 1.881 58.234 56.400 -0.079 0.000 0.804 140 E CB -0.193 29.479 29.700 -0.047 0.000 0.745 140 E HN 0.499 nan 8.360 nan 0.000 0.458 141 S N -0.282 115.422 115.700 0.006 0.000 2.402 141 S HA -0.091 4.377 4.470 -0.003 0.000 0.229 141 S C 2.058 176.696 174.600 0.063 0.000 1.021 141 S CA 1.061 59.282 58.200 0.035 0.000 0.974 141 S CB -0.460 62.768 63.200 0.047 0.000 0.800 141 S HN 0.334 nan 8.310 nan 0.000 0.484 142 L N 0.779 122.049 121.223 0.078 0.000 2.162 142 L HA 0.139 4.477 4.340 -0.003 0.000 0.205 142 L C 3.016 180.057 176.870 0.286 0.000 1.086 142 L CA 0.806 55.754 54.840 0.181 0.000 0.778 142 L CB -0.521 41.676 42.059 0.229 0.000 0.928 142 L HN 0.305 nan 8.230 nan 0.000 0.446 143 R N 1.000 121.555 120.500 0.093 0.000 2.133 143 R HA -0.209 4.129 4.340 -0.003 0.000 0.245 143 R C -0.562 175.934 176.300 0.326 0.000 1.137 143 R CA 2.452 58.619 56.100 0.113 0.000 0.947 143 R CB -1.316 28.920 30.300 -0.107 0.000 0.865 143 R HN 0.253 nan 8.270 nan 0.000 0.437 144 P HA -0.096 nan 4.420 nan 0.000 0.233 144 P C 0.344 177.685 177.300 0.069 0.000 1.167 144 P CA 1.215 64.384 63.100 0.114 0.000 0.770 144 P CB -0.020 31.714 31.700 0.055 0.000 0.837 145 Q N -0.537 119.302 119.800 0.066 0.000 2.230 145 Q HA 0.088 4.426 4.340 -0.003 0.000 0.202 145 Q C 1.620 177.442 176.000 -0.297 0.000 0.963 145 Q CA 0.887 56.649 55.803 -0.068 0.000 0.866 145 Q CB -0.506 28.212 28.738 -0.033 0.000 0.931 145 Q HN 0.264 nan 8.270 nan 0.000 0.452 146 G N 1.644 110.104 108.800 -0.568 0.000 2.155 146 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.257 146 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.257 146 G C -0.056 173.860 174.900 -1.640 0.000 0.983 146 G CA 0.800 45.119 45.100 -1.303 0.000 0.676 146 G HN 0.483 nan 8.290 nan 0.000 0.528 147 Q N -1.941 116.952 119.800 -1.510 0.000 2.776 147 Q HA 0.604 4.942 4.340 -0.003 0.000 0.289 147 Q C -0.433 175.384 176.000 -0.305 0.000 0.912 147 Q CA -0.745 54.535 55.803 -0.872 0.000 0.789 147 Q CB 1.404 29.908 28.738 -0.391 0.000 1.498 147 Q HN 1.559 nan 8.270 nan 0.000 0.408 148 C N -0.324 119.005 119.300 0.050 0.000 3.292 148 C HA 0.634 5.092 4.460 -0.003 0.000 0.338 148 C C -1.689 173.435 174.990 0.223 0.000 1.323 148 C CA -0.811 58.346 59.018 0.232 0.000 1.232 148 C CB 1.446 29.483 27.740 0.493 0.000 1.517 148 C HN 0.887 nan 8.230 nan 0.000 0.470 149 N N 1.334 120.144 118.700 0.183 0.000 2.699 149 N HA 0.255 4.993 4.740 -0.003 0.000 0.232 149 N C 0.247 175.868 175.510 0.184 0.000 1.027 149 N CA -0.330 52.812 53.050 0.153 0.000 0.920 149 N CB 0.835 39.377 38.487 0.090 0.000 1.148 149 N HN 0.768 nan 8.380 nan 0.000 0.509 150 F N 2.632 122.635 119.950 0.088 0.000 2.115 150 F HA -0.296 4.229 4.527 -0.003 0.000 0.300 150 F C 2.550 178.382 175.800 0.054 0.000 1.092 150 F CA 1.990 60.026 58.000 0.059 0.000 1.245 150 F CB -0.132 38.829 39.000 -0.064 0.000 0.995 150 F HN 0.402 nan 8.300 nan 0.000 0.481 151 T N -1.495 113.101 114.554 0.070 0.000 2.708 151 T HA -0.268 4.080 4.350 -0.003 0.000 0.266 151 T C 1.662 176.313 174.700 -0.080 0.000 1.037 151 T CA 1.572 63.655 62.100 -0.029 0.000 1.146 151 T CB -0.812 68.064 68.868 0.013 0.000 0.865 151 T HN 0.675 nan 8.240 nan 0.000 0.435 152 E N 0.659 120.841 120.200 -0.031 0.000 2.340 152 E HA -0.006 4.342 4.350 -0.003 0.000 0.194 152 E C 1.207 177.791 176.600 -0.028 0.000 0.996 152 E CA 0.625 57.010 56.400 -0.025 0.000 0.869 152 E CB -0.053 29.651 29.700 0.007 0.000 0.835 152 E HN 0.381 nan 8.360 nan 0.000 0.493 153 D N -0.661 119.729 120.400 -0.017 0.000 2.333 153 D HA 0.006 4.644 4.640 -0.003 0.000 0.208 153 D C 0.632 176.947 176.300 0.025 0.000 0.984 153 D CA 0.741 54.760 54.000 0.033 0.000 0.873 153 D CB 0.290 41.162 40.800 0.121 0.000 0.935 153 D HN 0.290 nan 8.370 nan 0.000 0.521 154 Y N -0.239 119.871 120.300 -0.318 0.000 3.006 154 Y HA 0.317 4.865 4.550 -0.003 0.000 0.236 154 Y C 1.975 177.649 175.900 -0.376 0.000 1.088 154 Y CA 0.582 58.460 58.100 -0.369 0.000 1.307 154 Y CB -0.193 37.932 38.460 -0.558 0.000 1.445 154 Y HN -0.150 nan 8.280 nan 0.000 0.433 155 A N 0.959 123.466 122.820 -0.521 0.000 1.917 155 A HA -0.227 4.091 4.320 -0.003 0.000 0.219 155 A C 1.796 179.301 177.584 -0.131 0.000 1.182 155 A CA 2.486 54.382 52.037 -0.235 0.000 0.633 155 A CB -0.603 18.293 19.000 -0.174 0.000 0.819 155 A HN 0.697 nan 8.150 nan 0.000 0.448 156 E N -0.919 119.195 120.200 -0.144 0.000 2.030 156 E HA -0.071 4.277 4.350 -0.003 0.000 0.189 156 E C -0.528 176.014 176.600 -0.097 0.000 0.974 156 E CA 0.695 57.039 56.400 -0.093 0.000 0.807 156 E CB -0.597 29.063 29.700 -0.067 0.000 0.771 156 E HN 0.498 nan 8.360 nan 0.000 0.451 157 P HA -0.203 nan 4.420 nan 0.000 0.216 157 P C 1.377 178.625 177.300 -0.086 0.000 1.150 157 P CA 1.168 64.220 63.100 -0.080 0.000 0.837 157 P CB -0.057 31.607 31.700 -0.060 0.000 0.786 158 F N 3.595 123.316 119.950 -0.381 0.000 2.014 158 F HA -0.067 4.458 4.527 -0.004 0.000 0.295 158 F C -0.736 174.955 175.800 -0.181 0.000 1.145 158 F CA 1.677 59.439 58.000 -0.398 0.000 1.178 158 F CB -2.118 36.367 39.000 -0.860 0.000 0.972 158 F HN -0.039 nan 8.300 nan 0.000 0.476 159 P HA -0.125 nan 4.420 nan 0.000 0.217 159 P C 2.210 179.403 177.300 -0.177 0.000 1.151 159 P CA 1.878 64.739 63.100 -0.399 0.000 0.828 159 P CB -0.178 31.405 31.700 -0.195 0.000 0.788 160 I N -0.092 120.415 120.570 -0.106 0.000 2.252 160 I HA -0.175 3.993 4.170 -0.003 0.000 0.245 160 I C 2.844 178.971 176.117 0.017 0.000 1.102 160 I CA 1.321 62.610 61.300 -0.017 0.000 1.385 160 I CB -0.492 37.492 38.000 -0.026 0.000 1.064 160 I HN -0.151 nan 8.210 nan 0.000 0.414 161 R N 0.377 120.856 120.500 -0.035 0.000 2.115 161 R HA -0.104 4.234 4.340 -0.003 0.000 0.230 161 R C 2.237 178.512 176.300 -0.040 0.000 1.111 161 R CA 1.048 57.135 56.100 -0.021 0.000 0.976 161 R CB -0.136 30.153 30.300 -0.018 0.000 0.870 161 R HN 0.276 nan 8.270 nan 0.000 0.445 162 I N 0.059 120.571 120.570 -0.096 0.000 2.252 162 I HA -0.247 3.921 4.170 -0.003 0.000 0.245 162 I C 2.120 178.203 176.117 -0.058 0.000 1.102 162 I CA 1.255 62.490 61.300 -0.108 0.000 1.385 162 I CB -0.818 37.050 38.000 -0.220 0.000 1.064 162 I HN 0.067 nan 8.210 nan 0.000 0.414 163 F N 1.383 121.262 119.950 -0.118 0.000 2.146 163 F HA -0.201 4.325 4.527 -0.002 0.000 0.298 163 F C 2.534 178.305 175.800 -0.049 0.000 1.096 163 F CA 1.439 59.392 58.000 -0.079 0.000 1.275 163 F CB -0.110 38.843 39.000 -0.079 0.000 1.008 163 F HN -0.093 nan 8.300 nan 0.000 0.480 164 M N -0.283 119.306 119.600 -0.017 0.000 2.213 164 M HA -0.139 4.339 4.480 -0.003 0.000 0.263 164 M C 2.254 178.469 176.300 -0.142 0.000 1.062 164 M CA 1.188 56.451 55.300 -0.063 0.000 1.105 164 M CB -1.499 31.125 32.600 0.040 0.000 1.385 164 M HN 0.368 nan 8.290 nan 0.000 0.417 165 L N 0.732 121.883 121.223 -0.121 0.000 2.027 165 L HA -0.123 4.215 4.340 -0.003 0.000 0.206 165 L C 2.298 179.073 176.870 -0.158 0.000 1.074 165 L CA 1.536 56.313 54.840 -0.106 0.000 0.745 165 L CB -0.992 41.024 42.059 -0.073 0.000 0.898 165 L HN 0.280 nan 8.230 nan 0.000 0.433 166 L N -0.401 120.684 121.223 -0.230 0.000 2.083 166 L HA -0.106 4.232 4.340 -0.003 0.000 0.209 166 L C 2.209 178.889 176.870 -0.317 0.000 1.083 166 L CA 1.688 56.373 54.840 -0.257 0.000 0.752 166 L CB -0.427 41.462 42.059 -0.283 0.000 0.899 166 L HN 0.320 nan 8.230 nan 0.000 0.433 167 A N -0.694 121.839 122.820 -0.478 0.000 2.218 167 A HA 0.277 4.595 4.320 -0.003 0.000 0.209 167 A C 1.569 179.048 177.584 -0.175 0.000 1.168 167 A CA 0.537 52.342 52.037 -0.387 0.000 0.804 167 A CB -0.647 18.004 19.000 -0.582 0.000 0.834 167 A HN 0.747 nan 8.150 nan 0.000 0.482 168 G N -0.610 108.105 108.800 -0.143 0.000 2.246 168 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.273 168 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.273 168 G C -0.144 174.739 174.900 -0.029 0.000 1.055 168 G CA 0.550 45.607 45.100 -0.071 0.000 0.851 168 G HN 0.480 nan 8.290 nan 0.000 0.500 169 L N -0.405 120.811 121.223 -0.012 0.000 2.334 169 L HA 0.512 4.850 4.340 -0.003 0.000 0.276 169 L C -2.010 174.897 176.870 0.061 0.000 1.014 169 L CA -2.556 52.323 54.840 0.065 0.000 0.815 169 L CB 1.986 44.132 42.059 0.146 0.000 1.268 169 L HN -0.128 nan 8.230 nan 0.000 0.428 170 P HA 0.064 nan 4.420 nan 0.000 0.268 170 P C 0.046 177.386 177.300 0.066 0.000 1.204 170 P CA -0.093 63.046 63.100 0.064 0.000 0.768 170 P CB 0.602 32.345 31.700 0.072 0.000 0.842 171 E N 2.118 122.344 120.200 0.043 0.000 2.265 171 E HA -0.218 4.130 4.350 -0.003 0.000 0.196 171 E C 1.380 178.005 176.600 0.041 0.000 0.996 171 E CA 0.908 57.331 56.400 0.038 0.000 0.832 171 E CB 0.038 29.753 29.700 0.025 0.000 0.756 171 E HN 0.677 nan 8.360 nan 0.000 0.491 172 E N 0.853 121.080 120.200 0.045 0.000 2.409 172 E HA -0.178 4.170 4.350 -0.003 0.000 0.198 172 E C 0.746 177.381 176.600 0.058 0.000 1.024 172 E CA 0.911 57.337 56.400 0.043 0.000 0.861 172 E CB 0.048 29.770 29.700 0.038 0.000 0.788 172 E HN 0.111 nan 8.360 nan 0.000 0.521 173 D N 0.731 121.178 120.400 0.078 0.000 2.349 173 D HA 0.099 4.737 4.640 -0.003 0.000 0.215 173 D C 1.731 178.058 176.300 0.046 0.000 1.016 173 D CA 0.142 54.197 54.000 0.092 0.000 0.870 173 D CB 0.052 40.948 40.800 0.160 0.000 0.917 173 D HN 0.284 nan 8.370 nan 0.000 0.524 174 I N 1.444 122.037 120.570 0.038 0.000 2.163 174 I HA -0.224 3.944 4.170 -0.003 0.000 0.243 174 I C -0.581 175.546 176.117 0.018 0.000 1.085 174 I CA 1.279 62.589 61.300 0.016 0.000 1.347 174 I CB -1.270 36.740 38.000 0.018 0.000 1.044 174 I HN 0.006 nan 8.210 nan 0.000 0.408 175 P HA -0.223 nan 4.420 nan 0.000 0.215 175 P C 1.495 178.849 177.300 0.090 0.000 1.157 175 P CA 1.687 64.820 63.100 0.056 0.000 0.874 175 P CB -0.068 31.662 31.700 0.050 0.000 0.790 176 H N -0.526 118.538 119.070 -0.009 0.000 2.299 176 H HA -0.040 4.513 4.556 -0.004 0.000 0.302 176 H C 1.817 177.130 175.328 -0.025 0.000 1.078 176 H CA 1.501 57.544 56.048 -0.007 0.000 1.323 176 H CB -1.028 28.711 29.762 -0.037 0.000 1.381 176 H HN -0.053 nan 8.280 nan 0.000 0.498 177 L N -0.085 121.021 121.223 -0.194 0.000 2.083 177 L HA -0.144 4.194 4.340 -0.003 0.000 0.209 177 L C 2.517 179.265 176.870 -0.203 0.000 1.083 177 L CA 1.600 56.259 54.840 -0.301 0.000 0.752 177 L CB -0.427 41.467 42.059 -0.276 0.000 0.899 177 L HN 0.219 nan 8.230 nan 0.000 0.433 178 K N -0.036 120.300 120.400 -0.107 0.000 2.097 178 K HA -0.242 4.076 4.320 -0.003 0.000 0.205 178 K C 2.106 178.658 176.600 -0.080 0.000 1.050 178 K CA 1.497 57.735 56.287 -0.081 0.000 0.938 178 K CB -0.590 31.890 32.500 -0.033 0.000 0.718 178 K HN 0.205 nan 8.250 nan 0.000 0.442 179 Y N 0.801 121.020 120.300 -0.135 0.000 2.145 179 Y HA -0.141 4.407 4.550 -0.004 0.000 0.286 179 Y C 1.643 177.450 175.900 -0.154 0.000 1.145 179 Y CA 1.892 59.920 58.100 -0.119 0.000 1.148 179 Y CB -0.234 38.165 38.460 -0.102 0.000 0.981 179 Y HN 0.013 nan 8.280 nan 0.000 0.507 180 L N -1.005 120.053 121.223 -0.275 0.000 2.017 180 L HA -0.263 4.075 4.340 -0.003 0.000 0.208 180 L C 2.360 179.043 176.870 -0.312 0.000 1.073 180 L CA 1.932 56.573 54.840 -0.332 0.000 0.745 180 L CB -1.081 40.781 42.059 -0.329 0.000 0.894 180 L HN 0.200 nan 8.230 nan 0.000 0.432 181 T N -0.842 113.564 114.554 -0.246 0.000 2.720 181 T HA -0.196 4.152 4.350 -0.003 0.000 0.268 181 T C 1.419 176.034 174.700 -0.141 0.000 1.037 181 T CA 1.649 63.646 62.100 -0.172 0.000 1.144 181 T CB -0.279 68.496 68.868 -0.155 0.000 0.864 181 T HN 0.303 nan 8.240 nan 0.000 0.444 182 D N 0.863 121.147 120.400 -0.194 0.000 2.218 182 D HA -0.056 4.582 4.640 -0.003 0.000 0.204 182 D C 2.310 178.498 176.300 -0.187 0.000 0.976 182 D CA 0.669 54.571 54.000 -0.164 0.000 0.853 182 D CB -0.200 40.490 40.800 -0.183 0.000 0.939 182 D HN 0.271 nan 8.370 nan 0.000 0.481 183 Q N -0.612 119.001 119.800 -0.313 0.000 2.369 183 Q HA 0.091 4.429 4.340 -0.003 0.000 0.206 183 Q C 1.909 177.853 176.000 -0.092 0.000 0.963 183 Q CA 0.442 56.090 55.803 -0.259 0.000 0.894 183 Q CB -0.094 28.428 28.738 -0.360 0.000 0.965 183 Q HN 0.445 nan 8.270 nan 0.000 0.475 184 M N -0.489 119.085 119.600 -0.043 0.000 2.514 184 M HA -0.011 4.467 4.480 -0.003 0.000 0.258 184 M C 1.481 178.043 176.300 0.436 0.000 1.119 184 M CA 1.292 56.708 55.300 0.194 0.000 1.111 184 M CB 0.258 32.901 32.600 0.072 0.000 1.390 184 M HN 0.199 nan 8.290 nan 0.000 0.475 185 T N -2.653 112.041 114.554 0.234 0.000 3.019 185 T HA 0.228 4.576 4.350 -0.003 0.000 0.247 185 T C 1.033 175.873 174.700 0.234 0.000 0.992 185 T CA -0.254 61.976 62.100 0.216 0.000 1.036 185 T CB 0.288 69.240 68.868 0.141 0.000 1.063 185 T HN 0.230 nan 8.240 nan 0.000 0.476 186 R N 2.314 122.901 120.500 0.145 0.000 2.655 186 R HA 0.319 4.657 4.340 -0.003 0.000 0.261 186 R C -2.982 173.328 176.300 0.015 0.000 1.624 186 R CA -1.569 54.619 56.100 0.147 0.000 1.655 186 R CB 1.266 31.637 30.300 0.118 0.000 1.356 186 R HN 0.359 nan 8.270 nan 0.000 0.684 187 P HA -0.059 nan 4.420 nan 0.000 0.264 187 P C -0.302 176.947 177.300 -0.085 0.000 1.183 187 P CA 0.338 63.373 63.100 -0.109 0.000 0.763 187 P CB 0.837 32.451 31.700 -0.143 0.000 0.807 188 D N 1.537 121.904 120.400 -0.056 0.000 2.349 188 D HA 0.096 4.734 4.640 -0.003 0.000 0.215 188 D C 1.441 177.738 176.300 -0.005 0.000 1.016 188 D CA 0.568 54.564 54.000 -0.007 0.000 0.870 188 D CB -0.330 40.498 40.800 0.046 0.000 0.917 188 D HN 0.612 nan 8.370 nan 0.000 0.524 189 G N -0.080 108.705 108.800 -0.026 0.000 2.213 189 G HA2 -0.345 3.613 3.960 -0.003 0.000 0.226 189 G HA3 -0.345 3.613 3.960 -0.003 0.000 0.226 189 G C 1.270 176.175 174.900 0.008 0.000 0.992 189 G CA 0.580 45.669 45.100 -0.019 0.000 0.632 189 G HN 0.638 nan 8.290 nan 0.000 0.511 190 S N -0.611 115.113 115.700 0.039 0.000 2.461 190 S HA 0.511 4.979 4.470 -0.003 0.000 0.228 190 S C 0.965 175.599 174.600 0.056 0.000 1.005 190 S CA 1.036 59.273 58.200 0.061 0.000 0.942 190 S CB 0.087 63.355 63.200 0.113 0.000 0.776 190 S HN 0.527 nan 8.310 nan 0.000 0.514 191 M N 2.063 121.684 119.600 0.036 0.000 2.446 191 M HA 0.350 4.828 4.480 -0.003 0.000 0.294 191 M C -0.506 175.791 176.300 -0.005 0.000 1.158 191 M CA -0.599 54.711 55.300 0.017 0.000 0.899 191 M CB 2.608 35.214 32.600 0.010 0.000 1.687 191 M HN 0.220 nan 8.290 nan 0.000 0.455 192 T N -1.487 113.072 114.554 0.009 0.000 2.816 192 T HA 0.290 4.637 4.350 -0.003 0.000 0.282 192 T C 0.738 175.468 174.700 0.051 0.000 0.993 192 T CA -0.511 61.613 62.100 0.039 0.000 0.994 192 T CB 0.888 69.789 68.868 0.054 0.000 1.025 192 T HN 0.597 nan 8.240 nan 0.000 0.529 193 F N 1.364 121.300 119.950 -0.024 0.000 2.126 193 F HA 0.009 4.534 4.527 -0.004 0.000 0.299 193 F C 2.589 178.349 175.800 -0.067 0.000 1.096 193 F CA 1.849 59.837 58.000 -0.021 0.000 1.255 193 F CB -0.880 38.139 39.000 0.030 0.000 0.997 193 F HN 0.736 nan 8.300 nan 0.000 0.479 194 A N 0.180 123.123 122.820 0.204 0.000 1.908 194 A HA -0.244 4.074 4.320 -0.003 0.000 0.218 194 A C 2.074 179.625 177.584 -0.055 0.000 1.181 194 A CA 2.069 54.156 52.037 0.083 0.000 0.627 194 A CB -0.905 18.154 19.000 0.099 0.000 0.818 194 A HN 0.606 nan 8.150 nan 0.000 0.445 195 E N -0.356 119.818 120.200 -0.043 0.000 2.106 195 E HA -0.044 4.304 4.350 -0.003 0.000 0.192 195 E C 2.302 178.836 176.600 -0.111 0.000 0.984 195 E CA 0.841 57.212 56.400 -0.048 0.000 0.806 195 E CB -0.278 29.416 29.700 -0.011 0.000 0.750 195 E HN 0.626 nan 8.360 nan 0.000 0.458 196 A N 1.843 124.545 122.820 -0.197 0.000 1.898 196 A HA -0.204 4.114 4.320 -0.003 0.000 0.216 196 A C 2.082 179.446 177.584 -0.367 0.000 1.181 196 A CA 1.436 53.312 52.037 -0.268 0.000 0.620 196 A CB -0.329 18.464 19.000 -0.345 0.000 0.819 196 A HN 0.048 nan 8.150 nan 0.000 0.442 197 K N -0.531 119.546 120.400 -0.538 0.000 2.026 197 K HA -0.182 4.136 4.320 -0.003 0.000 0.208 197 K C 1.809 178.101 176.600 -0.513 0.000 1.048 197 K CA 1.534 57.424 56.287 -0.662 0.000 0.929 197 K CB -0.123 31.940 32.500 -0.728 0.000 0.713 197 K HN 0.316 nan 8.250 nan 0.000 0.439 198 E N 0.290 120.345 120.200 -0.242 0.000 2.153 198 E HA -0.152 4.196 4.350 -0.003 0.000 0.194 198 E C 1.831 178.436 176.600 0.008 0.000 0.988 198 E CA 1.144 57.517 56.400 -0.046 0.000 0.811 198 E CB -0.202 29.506 29.700 0.013 0.000 0.746 198 E HN 0.431 nan 8.360 nan 0.000 0.466 199 A N 0.851 123.652 122.820 -0.032 0.000 1.930 199 A HA -0.119 4.199 4.320 -0.003 0.000 0.217 199 A C 2.208 179.838 177.584 0.077 0.000 1.175 199 A CA 1.002 53.069 52.037 0.049 0.000 0.627 199 A CB -0.447 18.576 19.000 0.038 0.000 0.815 199 A HN 0.246 nan 8.150 nan 0.000 0.443 200 L N -1.551 119.642 121.223 -0.050 0.000 2.056 200 L HA -0.089 4.249 4.340 -0.003 0.000 0.207 200 L C 2.187 179.183 176.870 0.210 0.000 1.078 200 L CA 1.807 56.645 54.840 -0.003 0.000 0.749 200 L CB -0.794 41.174 42.059 -0.152 0.000 0.901 200 L HN 0.444 nan 8.230 nan 0.000 0.433 201 Y N -0.345 120.014 120.300 0.099 0.000 2.293 201 Y HA -0.173 4.375 4.550 -0.003 0.000 0.291 201 Y C 2.499 178.461 175.900 0.103 0.000 1.137 201 Y CA 1.039 59.198 58.100 0.097 0.000 1.202 201 Y CB -1.046 37.448 38.460 0.056 0.000 0.990 201 Y HN 0.391 nan 8.280 nan 0.000 0.537 202 D N -1.043 119.517 120.400 0.267 0.000 2.149 202 D HA -0.260 4.378 4.640 -0.003 0.000 0.198 202 D C 2.129 178.548 176.300 0.199 0.000 0.990 202 D CA 1.165 55.279 54.000 0.189 0.000 0.839 202 D CB -0.340 40.557 40.800 0.162 0.000 0.948 202 D HN 0.349 nan 8.370 nan 0.000 0.460 203 Y N 0.390 120.770 120.300 0.134 0.000 2.184 203 Y HA -0.016 4.532 4.550 -0.004 0.000 0.290 203 Y C 1.948 177.911 175.900 0.105 0.000 1.129 203 Y CA 1.403 59.577 58.100 0.124 0.000 1.144 203 Y CB -0.197 38.357 38.460 0.157 0.000 0.995 203 Y HN -0.004 nan 8.280 nan 0.000 0.513 204 L N -0.422 120.949 121.223 0.247 0.000 2.109 204 L HA -0.176 4.162 4.340 -0.003 0.000 0.207 204 L C 2.379 179.266 176.870 0.028 0.000 1.086 204 L CA 1.037 55.957 54.840 0.134 0.000 0.760 204 L CB -0.525 41.691 42.059 0.262 0.000 0.910 204 L HN 0.270 nan 8.230 nan 0.000 0.437 205 I N 0.227 120.823 120.570 0.044 0.000 2.113 205 I HA -0.266 3.901 4.170 -0.003 0.000 0.242 205 I C -0.281 175.819 176.117 -0.029 0.000 1.064 205 I CA 1.768 63.066 61.300 -0.003 0.000 1.320 205 I CB -1.564 36.440 38.000 0.005 0.000 1.028 205 I HN 0.229 nan 8.210 nan 0.000 0.406 206 P HA -0.118 nan 4.420 nan 0.000 0.217 206 P C 1.840 179.094 177.300 -0.076 0.000 1.150 206 P CA 1.460 64.523 63.100 -0.060 0.000 0.832 206 P CB 0.005 31.661 31.700 -0.073 0.000 0.787 207 I N -1.357 119.146 120.570 -0.111 0.000 2.252 207 I HA -0.196 3.972 4.170 -0.003 0.000 0.245 207 I C 2.231 178.315 176.117 -0.056 0.000 1.102 207 I CA 1.314 62.551 61.300 -0.106 0.000 1.385 207 I CB -0.510 37.394 38.000 -0.160 0.000 1.064 207 I HN -0.124 nan 8.210 nan 0.000 0.414 208 I N 0.579 121.126 120.570 -0.038 0.000 2.226 208 I HA -0.263 3.905 4.170 -0.003 0.000 0.245 208 I C 2.616 178.719 176.117 -0.023 0.000 1.100 208 I CA 1.226 62.514 61.300 -0.020 0.000 1.374 208 I CB -0.254 37.738 38.000 -0.012 0.000 1.057 208 I HN 0.223 nan 8.210 nan 0.000 0.413 209 E N 1.093 121.276 120.200 -0.028 0.000 2.072 209 E HA -0.271 4.077 4.350 -0.003 0.000 0.191 209 E C 2.114 178.699 176.600 -0.025 0.000 0.985 209 E CA 1.493 57.878 56.400 -0.024 0.000 0.801 209 E CB -0.200 29.485 29.700 -0.025 0.000 0.750 209 E HN 0.388 nan 8.360 nan 0.000 0.452 210 Q N -0.156 119.625 119.800 -0.032 0.000 2.084 210 Q HA -0.128 4.210 4.340 -0.003 0.000 0.202 210 Q C 1.966 177.950 176.000 -0.026 0.000 0.978 210 Q CA 1.508 57.292 55.803 -0.031 0.000 0.844 210 Q CB 0.010 28.724 28.738 -0.040 0.000 0.898 210 Q HN 0.191 nan 8.270 nan 0.000 0.426 211 R N -0.717 119.768 120.500 -0.026 0.000 2.299 211 R HA 0.043 4.381 4.340 -0.003 0.000 0.197 211 R C 1.938 178.229 176.300 -0.016 0.000 0.971 211 R CA 0.328 56.416 56.100 -0.021 0.000 1.030 211 R CB 0.163 30.450 30.300 -0.021 0.000 0.932 211 R HN 0.134 nan 8.270 nan 0.000 0.477 212 R N -0.176 120.316 120.500 -0.015 0.000 2.173 212 R HA 0.042 4.380 4.340 -0.003 0.000 0.208 212 R C 1.938 178.231 176.300 -0.011 0.000 1.035 212 R CA 0.504 56.597 56.100 -0.011 0.000 1.004 212 R CB 0.269 30.564 30.300 -0.010 0.000 0.917 212 R HN 0.111 nan 8.270 nan 0.000 0.462 213 Q N 1.028 120.820 119.800 -0.014 0.000 2.096 213 Q HA -0.051 4.287 4.340 -0.003 0.000 0.197 213 Q C 0.127 176.119 176.000 -0.013 0.000 0.964 213 Q CA 1.275 57.070 55.803 -0.013 0.000 0.838 213 Q CB 0.328 29.057 28.738 -0.015 0.000 0.906 213 Q HN 0.306 nan 8.270 nan 0.000 0.444 214 K N 0.363 120.754 120.400 -0.014 0.000 2.646 214 K HA 0.494 4.812 4.320 -0.003 0.000 0.210 214 K C -2.837 173.754 176.600 -0.015 0.000 1.020 214 K CA -1.749 54.529 56.287 -0.014 0.000 1.040 214 K CB 1.425 33.916 32.500 -0.015 0.000 1.253 214 K HN -0.231 nan 8.250 nan 0.000 0.532 215 P HA -0.005 nan 4.420 nan 0.000 0.264 215 P C 0.051 177.342 177.300 -0.016 0.000 1.183 215 P CA 0.194 63.285 63.100 -0.014 0.000 0.763 215 P CB 1.034 32.727 31.700 -0.012 0.000 0.807 216 G N 0.654 109.443 108.800 -0.018 0.000 2.971 216 G HA2 0.473 4.431 3.960 -0.003 0.000 0.235 216 G HA3 0.473 4.431 3.960 -0.003 0.000 0.235 216 G C 0.345 175.232 174.900 -0.022 0.000 1.351 216 G CA -0.239 44.849 45.100 -0.021 0.000 1.039 216 G HN 0.415 nan 8.290 nan 0.000 0.563 217 T N -1.745 112.794 114.554 -0.026 0.000 3.044 217 T HA 0.192 4.540 4.350 -0.003 0.000 0.260 217 T C 0.463 175.141 174.700 -0.037 0.000 1.019 217 T CA 0.318 62.402 62.100 -0.027 0.000 0.921 217 T CB -0.258 68.596 68.868 -0.025 0.000 1.053 217 T HN 0.596 nan 8.240 nan 0.000 0.533 218 D N 1.155 121.529 120.400 -0.043 0.000 2.371 218 D HA 0.304 4.942 4.640 -0.003 0.000 0.242 218 D C 1.461 177.724 176.300 -0.062 0.000 1.218 218 D CA -0.058 53.903 54.000 -0.064 0.000 0.945 218 D CB 1.401 42.160 40.800 -0.068 0.000 1.137 218 D HN 0.105 nan 8.370 nan 0.000 0.464 219 A N 1.313 124.078 122.820 -0.091 0.000 1.940 219 A HA -0.163 4.155 4.320 -0.003 0.000 0.219 219 A C 2.372 179.936 177.584 -0.035 0.000 1.176 219 A CA 1.149 53.143 52.037 -0.071 0.000 0.631 219 A CB -0.750 18.178 19.000 -0.120 0.000 0.814 219 A HN 0.677 nan 8.150 nan 0.000 0.446 220 I N -0.493 120.055 120.570 -0.037 0.000 2.252 220 I HA -0.205 3.963 4.170 -0.003 0.000 0.245 220 I C 2.654 178.769 176.117 -0.005 0.000 1.102 220 I CA 1.387 62.684 61.300 -0.004 0.000 1.385 220 I CB -0.354 37.648 38.000 0.003 0.000 1.064 220 I HN 0.229 nan 8.210 nan 0.000 0.414 221 S N 0.966 116.656 115.700 -0.016 0.000 2.368 221 S HA -0.120 4.348 4.470 -0.003 0.000 0.225 221 S C 2.011 176.606 174.600 -0.007 0.000 1.030 221 S CA 1.282 59.474 58.200 -0.013 0.000 0.999 221 S CB -0.287 62.901 63.200 -0.019 0.000 0.844 221 S HN 0.330 nan 8.310 nan 0.000 0.459 222 I N 0.939 121.504 120.570 -0.009 0.000 2.226 222 I HA -0.141 4.027 4.170 -0.003 0.000 0.245 222 I C 2.173 178.296 176.117 0.010 0.000 1.100 222 I CA 0.936 62.235 61.300 -0.003 0.000 1.374 222 I CB -0.474 37.522 38.000 -0.007 0.000 1.057 222 I HN 0.155 nan 8.210 nan 0.000 0.413 223 V N 1.041 120.966 119.914 0.018 0.000 2.307 223 V HA -0.247 3.871 4.120 -0.003 0.000 0.245 223 V C 2.717 178.832 176.094 0.035 0.000 1.045 223 V CA 1.932 64.254 62.300 0.037 0.000 1.024 223 V CB -0.924 30.927 31.823 0.047 0.000 0.651 223 V HN 0.485 nan 8.190 nan 0.000 0.449 224 A N 0.300 123.133 122.820 0.022 0.000 2.019 224 A HA -0.215 4.103 4.320 -0.003 0.000 0.219 224 A C 1.746 179.338 177.584 0.013 0.000 1.164 224 A CA 2.251 54.297 52.037 0.016 0.000 0.644 224 A CB -0.609 18.395 19.000 0.006 0.000 0.805 224 A HN 0.694 nan 8.150 nan 0.000 0.449 225 N N -0.899 117.806 118.700 0.009 0.000 2.214 225 N HA 0.306 5.044 4.740 -0.003 0.000 0.214 225 N C 0.697 176.211 175.510 0.006 0.000 1.132 225 N CA 0.371 53.424 53.050 0.005 0.000 0.856 225 N CB 0.675 39.161 38.487 -0.002 0.000 1.020 225 N HN 0.414 nan 8.380 nan 0.000 0.509 226 G N -0.070 108.739 108.800 0.014 0.000 2.621 226 G HA2 0.331 4.289 3.960 -0.003 0.000 0.271 226 G HA3 0.331 4.289 3.960 -0.003 0.000 0.271 226 G C -0.434 174.469 174.900 0.005 0.000 1.236 226 G CA -0.299 44.808 45.100 0.011 0.000 0.958 226 G HN 0.102 nan 8.290 nan 0.000 0.512 227 Q N -1.535 118.259 119.800 -0.010 0.000 2.377 227 Q HA 0.516 4.854 4.340 -0.003 0.000 0.271 227 Q C -0.941 175.022 176.000 -0.062 0.000 1.077 227 Q CA -0.948 54.837 55.803 -0.030 0.000 0.820 227 Q CB 2.824 31.542 28.738 -0.033 0.000 1.347 227 Q HN 0.500 nan 8.270 nan 0.000 0.444 228 V N -0.330 119.519 119.914 -0.109 0.000 2.349 228 V HA 0.443 4.561 4.120 -0.003 0.000 0.284 228 V C -0.521 175.455 176.094 -0.196 0.000 1.014 228 V CA -1.005 61.163 62.300 -0.219 0.000 0.826 228 V CB 0.987 32.547 31.823 -0.438 0.000 1.009 228 V HN 0.850 nan 8.190 nan 0.000 0.431 229 N N 3.793 122.398 118.700 -0.158 0.000 2.714 229 N HA -0.151 4.587 4.740 -0.003 0.000 0.253 229 N C 1.299 176.757 175.510 -0.087 0.000 1.024 229 N CA 2.061 55.039 53.050 -0.120 0.000 0.726 229 N CB -1.188 37.215 38.487 -0.139 0.000 0.908 229 N HN 1.945 nan 8.380 nan 0.000 0.542 230 G N -1.847 106.912 108.800 -0.069 0.000 2.253 230 G HA2 -0.376 3.582 3.960 -0.003 0.000 0.251 230 G HA3 -0.376 3.582 3.960 -0.003 0.000 0.251 230 G C 0.094 174.967 174.900 -0.044 0.000 0.998 230 G CA 0.735 45.806 45.100 -0.050 0.000 0.621 230 G HN 0.878 nan 8.290 nan 0.000 0.524 231 R N 0.150 120.618 120.500 -0.053 0.000 2.832 231 R HA 0.764 5.102 4.340 -0.003 0.000 0.271 231 R C -3.201 173.080 176.300 -0.032 0.000 0.996 231 R CA -2.533 53.545 56.100 -0.038 0.000 0.977 231 R CB 0.207 30.487 30.300 -0.034 0.000 1.168 231 R HN 0.093 nan 8.270 nan 0.000 0.482 232 P HA 0.042 nan 4.420 nan 0.000 0.268 232 P C -0.381 176.927 177.300 0.012 0.000 1.204 232 P CA -0.145 62.953 63.100 -0.003 0.000 0.768 232 P CB 0.484 32.184 31.700 0.000 0.000 0.842 233 I N 2.669 123.255 120.570 0.027 0.000 2.634 233 I HA 0.110 4.278 4.170 -0.003 0.000 0.284 233 I C 0.719 176.870 176.117 0.057 0.000 1.124 233 I CA -0.032 61.310 61.300 0.070 0.000 1.417 233 I CB 0.838 38.894 38.000 0.094 0.000 1.396 233 I HN 0.396 nan 8.210 nan 0.000 0.571 234 T N 2.269 116.865 114.554 0.070 0.000 2.874 234 T HA 0.202 4.550 4.350 -0.003 0.000 0.281 234 T C 1.053 175.766 174.700 0.021 0.000 0.994 234 T CA -0.496 61.626 62.100 0.037 0.000 1.015 234 T CB 1.535 70.425 68.868 0.035 0.000 1.028 234 T HN 0.658 nan 8.240 nan 0.000 0.523 235 S N 0.494 116.193 115.700 -0.001 0.000 2.382 235 S HA -0.134 4.334 4.470 -0.003 0.000 0.228 235 S C 1.681 176.254 174.600 -0.045 0.000 1.027 235 S CA 1.627 59.815 58.200 -0.019 0.000 0.991 235 S CB -0.667 62.518 63.200 -0.025 0.000 0.823 235 S HN 0.980 nan 8.310 nan 0.000 0.469 236 D N 0.933 121.302 120.400 -0.051 0.000 2.097 236 D HA -0.142 4.495 4.640 -0.003 0.000 0.195 236 D C 1.908 178.151 176.300 -0.096 0.000 0.989 236 D CA 1.321 55.264 54.000 -0.095 0.000 0.827 236 D CB -0.090 40.666 40.800 -0.072 0.000 0.966 236 D HN 0.451 nan 8.370 nan 0.000 0.456 237 E N -0.160 120.018 120.200 -0.037 0.000 2.077 237 E HA -0.146 4.202 4.350 -0.003 0.000 0.193 237 E C 2.175 178.765 176.600 -0.016 0.000 0.989 237 E CA 0.937 57.318 56.400 -0.031 0.000 0.800 237 E CB -0.190 29.566 29.700 0.094 0.000 0.746 237 E HN 0.396 nan 8.360 nan 0.000 0.452 238 A N 1.711 124.537 122.820 0.011 0.000 1.902 238 A HA -0.253 4.065 4.320 -0.003 0.000 0.217 238 A C 2.070 179.653 177.584 -0.000 0.000 1.181 238 A CA 1.658 53.708 52.037 0.022 0.000 0.623 238 A CB -0.402 18.610 19.000 0.020 0.000 0.818 238 A HN 0.074 nan 8.150 nan 0.000 0.443 239 K N -0.340 120.025 120.400 -0.057 0.000 2.026 239 K HA -0.154 4.164 4.320 -0.003 0.000 0.208 239 K C 2.198 178.777 176.600 -0.036 0.000 1.048 239 K CA 1.483 57.709 56.287 -0.101 0.000 0.929 239 K CB -0.182 32.139 32.500 -0.298 0.000 0.713 239 K HN 0.449 nan 8.250 nan 0.000 0.439 240 R N 0.008 120.468 120.500 -0.066 0.000 2.148 240 R HA -0.065 4.273 4.340 -0.003 0.000 0.227 240 R C 2.322 178.715 176.300 0.155 0.000 1.103 240 R CA 1.434 57.613 56.100 0.132 0.000 0.983 240 R CB -0.147 30.161 30.300 0.013 0.000 0.874 240 R HN 0.342 nan 8.270 nan 0.000 0.451 241 M N -0.405 119.222 119.600 0.045 0.000 2.216 241 M HA -0.092 4.386 4.480 -0.003 0.000 0.264 241 M C 1.853 178.160 176.300 0.012 0.000 1.080 241 M CA 1.386 56.701 55.300 0.025 0.000 1.153 241 M CB 0.095 32.721 32.600 0.044 0.000 1.356 241 M HN 0.187 nan 8.290 nan 0.000 0.432 242 C N 0.801 120.131 119.300 0.050 0.000 2.422 242 C HA -0.050 4.408 4.460 -0.003 0.000 0.279 242 C C 2.735 177.740 174.990 0.025 0.000 1.305 242 C CA 1.025 60.085 59.018 0.071 0.000 1.757 242 C CB -1.902 25.898 27.740 0.101 0.000 1.962 242 C HN 0.820 nan 8.230 nan 0.000 0.499 243 G N 0.323 109.140 108.800 0.028 0.000 2.418 243 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.217 243 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.217 243 G C 1.506 175.945 174.900 -0.769 0.000 1.158 243 G CA 0.941 45.956 45.100 -0.142 0.000 0.771 243 G HN 0.462 nan 8.290 nan 0.000 0.545 244 L N 0.565 121.241 121.223 -0.911 0.000 2.046 244 L HA 0.112 4.450 4.340 -0.003 0.000 0.208 244 L C 2.704 179.335 176.870 -0.399 0.000 1.077 244 L CA 1.321 55.646 54.840 -0.859 0.000 0.747 244 L CB -0.471 41.340 42.059 -0.414 0.000 0.896 244 L HN 0.213 nan 8.230 nan 0.000 0.432 245 L N -1.374 119.729 121.223 -0.200 0.000 2.083 245 L HA -0.250 4.088 4.340 -0.003 0.000 0.209 245 L C 2.558 179.233 176.870 -0.325 0.000 1.083 245 L CA 1.219 56.015 54.840 -0.073 0.000 0.752 245 L CB -0.603 41.562 42.059 0.176 0.000 0.899 245 L HN 0.317 nan 8.230 nan 0.000 0.433 246 L N -0.858 120.201 121.223 -0.272 0.000 2.017 246 L HA -0.206 4.132 4.340 -0.003 0.000 0.208 246 L C 2.526 179.081 176.870 -0.525 0.000 1.073 246 L CA 0.977 55.544 54.840 -0.455 0.000 0.745 246 L CB -0.310 41.667 42.059 -0.136 0.000 0.894 246 L HN 0.050 nan 8.230 nan 0.000 0.432 247 V N -0.186 119.492 119.914 -0.393 0.000 2.343 247 V HA -0.223 3.895 4.120 -0.003 0.000 0.247 247 V C 2.568 178.513 176.094 -0.249 0.000 1.051 247 V CA 1.973 64.111 62.300 -0.271 0.000 1.036 247 V CB -1.228 30.480 31.823 -0.193 0.000 0.654 247 V HN 0.593 nan 8.190 nan 0.000 0.451 248 G N -0.017 108.619 108.800 -0.273 0.000 2.418 248 G HA2 -0.143 3.815 3.960 -0.003 0.000 0.217 248 G HA3 -0.143 3.815 3.960 -0.003 0.000 0.217 248 G C 1.591 176.317 174.900 -0.290 0.000 1.158 248 G CA 0.898 45.879 45.100 -0.199 0.000 0.771 248 G HN 0.592 nan 8.290 nan 0.000 0.545 249 G N 0.131 108.556 108.800 -0.625 0.000 2.448 249 G HA2 0.067 4.024 3.960 -0.003 0.000 0.218 249 G HA3 0.067 4.024 3.960 -0.003 0.000 0.218 249 G C 1.468 176.111 174.900 -0.428 0.000 1.135 249 G CA 0.482 45.158 45.100 -0.706 0.000 0.784 249 G HN 0.345 nan 8.290 nan 0.000 0.543 250 L N -0.483 120.500 121.223 -0.400 0.000 2.590 250 L HA 0.370 4.708 4.340 -0.003 0.000 0.227 250 L C 0.771 177.562 176.870 -0.133 0.000 1.099 250 L CA 0.696 55.403 54.840 -0.221 0.000 0.872 250 L CB 0.741 42.673 42.059 -0.213 0.000 1.088 250 L HN 0.047 nan 8.230 nan 0.000 0.479 251 D N -2.223 118.109 120.400 -0.115 0.000 2.760 251 D HA 0.103 4.741 4.640 -0.003 0.000 0.314 251 D C 1.133 177.430 176.300 -0.005 0.000 1.464 251 D CA 0.826 54.797 54.000 -0.048 0.000 0.797 251 D CB 0.534 41.314 40.800 -0.033 0.000 1.149 251 D HN 0.229 nan 8.370 nan 0.000 0.455 252 T N -4.202 110.352 114.554 -0.001 0.000 3.447 252 T HA 0.076 4.424 4.350 -0.003 0.000 0.218 252 T C 1.834 176.597 174.700 0.105 0.000 0.972 252 T CA 0.536 62.664 62.100 0.047 0.000 1.264 252 T CB -0.560 68.330 68.868 0.037 0.000 1.284 252 T HN -0.168 nan 8.240 nan 0.000 0.361 253 V N 2.453 122.429 119.914 0.103 0.000 2.392 253 V HA -0.157 3.961 4.120 -0.003 0.000 0.249 253 V C 2.941 179.144 176.094 0.182 0.000 1.059 253 V CA 1.651 64.061 62.300 0.184 0.000 1.051 253 V CB -1.027 30.878 31.823 0.137 0.000 0.658 253 V HN 0.439 nan 8.190 nan 0.000 0.455 254 V N 0.864 120.827 119.914 0.082 0.000 2.317 254 V HA -0.313 3.805 4.120 -0.003 0.000 0.251 254 V C 2.282 178.400 176.094 0.041 0.000 1.065 254 V CA 2.456 64.781 62.300 0.042 0.000 1.049 254 V CB -0.763 31.050 31.823 -0.015 0.000 0.651 254 V HN 0.640 nan 8.190 nan 0.000 0.450 255 N N -0.874 117.854 118.700 0.048 0.000 2.207 255 N HA -0.077 4.661 4.740 -0.003 0.000 0.182 255 N C 1.786 177.300 175.510 0.008 0.000 1.020 255 N CA 1.321 54.351 53.050 -0.033 0.000 0.858 255 N CB -0.343 38.155 38.487 0.017 0.000 0.991 255 N HN 0.531 nan 8.380 nan 0.000 0.427 256 F N 2.391 122.401 119.950 0.100 0.000 2.161 256 F HA -0.065 4.460 4.527 -0.003 0.000 0.300 256 F C 2.127 178.014 175.800 0.145 0.000 1.089 256 F CA 0.976 59.097 58.000 0.202 0.000 1.282 256 F CB -0.164 38.917 39.000 0.134 0.000 1.010 256 F HN -0.089 nan 8.300 nan 0.000 0.485 257 L N -0.715 120.577 121.223 0.115 0.000 2.079 257 L HA -0.261 4.077 4.340 -0.003 0.000 0.210 257 L C 2.509 179.378 176.870 -0.002 0.000 1.081 257 L CA 1.460 56.364 54.840 0.106 0.000 0.752 257 L CB -0.899 41.379 42.059 0.364 0.000 0.896 257 L HN 0.090 nan 8.230 nan 0.000 0.433 258 S N -0.639 115.050 115.700 -0.019 0.000 2.383 258 S HA -0.088 4.380 4.470 -0.003 0.000 0.227 258 S C 1.749 176.115 174.600 -0.390 0.000 1.026 258 S CA 1.038 59.160 58.200 -0.129 0.000 0.981 258 S CB -0.253 62.859 63.200 -0.146 0.000 0.818 258 S HN 0.219 nan 8.310 nan 0.000 0.472 259 F N 2.159 121.854 119.950 -0.424 0.000 2.134 259 F HA -0.070 4.455 4.527 -0.004 0.000 0.299 259 F C 2.738 177.970 175.800 -0.946 0.000 1.097 259 F CA 0.814 58.416 58.000 -0.664 0.000 1.264 259 F CB -0.939 37.675 39.000 -0.643 0.000 1.001 259 F HN 0.100 nan 8.300 nan 0.000 0.479 260 S N -0.401 114.897 115.700 -0.670 0.000 2.368 260 S HA -0.209 4.259 4.470 -0.003 0.000 0.224 260 S C 1.996 176.390 174.600 -0.344 0.000 1.029 260 S CA 1.305 59.182 58.200 -0.538 0.000 0.988 260 S CB -0.375 62.544 63.200 -0.468 0.000 0.838 260 S HN 0.245 nan 8.310 nan 0.000 0.462 261 M N 1.860 121.172 119.600 -0.480 0.000 2.229 261 M HA 0.019 4.497 4.480 -0.003 0.000 0.264 261 M C 1.873 177.941 176.300 -0.387 0.000 1.063 261 M CA 1.291 56.219 55.300 -0.621 0.000 1.114 261 M CB -0.458 31.268 32.600 -1.456 0.000 1.387 261 M HN 0.339 nan 8.290 nan 0.000 0.420 262 E N -1.016 118.978 120.200 -0.343 0.000 2.051 262 E HA -0.253 4.095 4.350 -0.003 0.000 0.192 262 E C 1.990 178.510 176.600 -0.134 0.000 0.991 262 E CA 1.497 57.787 56.400 -0.184 0.000 0.799 262 E CB -0.411 29.227 29.700 -0.104 0.000 0.748 262 E HN 0.550 nan 8.360 nan 0.000 0.449 263 F N 1.307 121.067 119.950 -0.317 0.000 2.102 263 F HA -0.161 4.364 4.527 -0.004 0.000 0.298 263 F C 1.973 177.690 175.800 -0.138 0.000 1.105 263 F CA 1.355 59.225 58.000 -0.217 0.000 1.239 263 F CB -0.121 38.711 39.000 -0.280 0.000 0.991 263 F HN -0.005 nan 8.300 nan 0.000 0.474 264 L N 0.094 121.193 121.223 -0.205 0.000 2.131 264 L HA -0.179 4.158 4.340 -0.003 0.000 0.210 264 L C 2.787 179.406 176.870 -0.418 0.000 1.092 264 L CA 1.029 55.720 54.840 -0.247 0.000 0.759 264 L CB -1.148 40.944 42.059 0.056 0.000 0.903 264 L HN 0.291 nan 8.230 nan 0.000 0.435 265 A N 0.006 122.656 122.820 -0.283 0.000 2.015 265 A HA -0.166 4.152 4.320 -0.003 0.000 0.219 265 A C 2.194 179.588 177.584 -0.317 0.000 1.163 265 A CA 1.357 53.183 52.037 -0.353 0.000 0.646 265 A CB -0.202 18.815 19.000 0.028 0.000 0.806 265 A HN 0.343 nan 8.150 nan 0.000 0.448 266 K N -0.815 119.401 120.400 -0.307 0.000 2.393 266 K HA 0.131 4.449 4.320 -0.003 0.000 0.193 266 K C 0.219 176.623 176.600 -0.327 0.000 1.026 266 K CA 0.446 56.577 56.287 -0.259 0.000 1.064 266 K CB 0.338 32.728 32.500 -0.183 0.000 0.833 266 K HN 0.231 nan 8.250 nan 0.000 0.521 267 S N 1.240 116.655 115.700 -0.476 0.000 2.395 267 S HA 0.273 4.741 4.470 -0.003 0.000 0.207 267 S C -2.342 172.120 174.600 -0.231 0.000 1.454 267 S CA -1.745 56.226 58.200 -0.383 0.000 1.211 267 S CB 0.775 63.563 63.200 -0.687 0.000 1.093 267 S HN -0.129 nan 8.310 nan 0.000 0.472 268 P HA -0.108 nan 4.420 nan 0.000 0.216 268 P C 1.175 178.436 177.300 -0.065 0.000 1.150 268 P CA 1.042 64.060 63.100 -0.137 0.000 0.837 268 P CB 0.225 31.858 31.700 -0.112 0.000 0.786 269 E N -1.574 118.599 120.200 -0.046 0.000 2.110 269 E HA -0.215 4.133 4.350 -0.003 0.000 0.193 269 E C 1.837 178.396 176.600 -0.069 0.000 0.988 269 E CA 1.118 57.480 56.400 -0.063 0.000 0.804 269 E CB -0.443 29.197 29.700 -0.100 0.000 0.745 269 E HN 0.479 nan 8.360 nan 0.000 0.458 270 H N -0.051 119.009 119.070 -0.017 0.000 2.428 270 H HA 0.059 4.613 4.556 -0.004 0.000 0.296 270 H C 2.080 177.539 175.328 0.220 0.000 1.062 270 H CA 0.933 57.055 56.048 0.123 0.000 1.350 270 H CB 0.175 30.026 29.762 0.149 0.000 1.403 270 H HN -0.003 nan 8.280 nan 0.000 0.533 271 R N 0.206 120.812 120.500 0.177 0.000 2.073 271 R HA -0.126 4.212 4.340 -0.003 0.000 0.234 271 R C 2.055 178.422 176.300 0.111 0.000 1.134 271 R CA 1.077 57.251 56.100 0.124 0.000 0.952 271 R CB -0.088 30.198 30.300 -0.022 0.000 0.850 271 R HN 0.322 nan 8.270 nan 0.000 0.433 272 Q N 0.790 120.627 119.800 0.062 0.000 2.135 272 Q HA -0.198 4.140 4.340 -0.003 0.000 0.204 272 Q C 1.874 177.917 176.000 0.072 0.000 0.981 272 Q CA 1.447 57.279 55.803 0.048 0.000 0.856 272 Q CB -0.107 28.640 28.738 0.014 0.000 0.902 272 Q HN 0.455 nan 8.270 nan 0.000 0.425 273 E N 0.020 120.282 120.200 0.102 0.000 2.077 273 E HA -0.156 4.192 4.350 -0.003 0.000 0.193 273 E C 1.953 178.642 176.600 0.149 0.000 0.989 273 E CA 0.788 57.267 56.400 0.131 0.000 0.800 273 E CB -0.012 29.802 29.700 0.190 0.000 0.746 273 E HN 0.305 nan 8.360 nan 0.000 0.452 274 L N 0.483 121.813 121.223 0.178 0.000 2.313 274 L HA -0.056 4.282 4.340 -0.003 0.000 0.214 274 L C 2.358 179.276 176.870 0.079 0.000 1.119 274 L CA 0.381 55.285 54.840 0.108 0.000 0.809 274 L CB -0.162 41.955 42.059 0.097 0.000 0.933 274 L HN 0.243 nan 8.230 nan 0.000 0.449 275 I N -0.351 120.269 120.570 0.083 0.000 2.333 275 I HA -0.192 3.976 4.170 -0.003 0.000 0.246 275 I C 2.242 178.387 176.117 0.046 0.000 1.106 275 I CA 1.162 62.498 61.300 0.060 0.000 1.411 275 I CB -0.072 37.961 38.000 0.056 0.000 1.082 275 I HN 0.249 nan 8.210 nan 0.000 0.420 276 E N 0.793 121.022 120.200 0.048 0.000 2.170 276 E HA -0.003 4.345 4.350 -0.003 0.000 0.191 276 E C 0.570 177.194 176.600 0.039 0.000 0.981 276 E CA 0.556 56.979 56.400 0.038 0.000 0.830 276 E CB 0.246 29.967 29.700 0.035 0.000 0.775 276 E HN 0.383 nan 8.360 nan 0.000 0.470 277 R N 0.694 121.224 120.500 0.049 0.000 2.651 277 R HA 0.180 4.518 4.340 -0.003 0.000 0.282 277 R C -2.288 174.035 176.300 0.040 0.000 1.565 277 R CA -1.346 54.781 56.100 0.045 0.000 1.661 277 R CB 0.964 31.297 30.300 0.055 0.000 1.189 277 R HN -0.014 nan 8.270 nan 0.000 0.621 278 P HA -0.244 nan 4.420 nan 0.000 0.218 278 P C 1.219 178.530 177.300 0.018 0.000 1.146 278 P CA 1.123 64.238 63.100 0.025 0.000 0.813 278 P CB 0.268 31.983 31.700 0.026 0.000 0.778 279 E N 0.326 120.539 120.200 0.022 0.000 2.409 279 E HA -0.173 4.175 4.350 -0.003 0.000 0.198 279 E C 1.377 177.986 176.600 0.016 0.000 1.024 279 E CA 1.001 57.413 56.400 0.021 0.000 0.861 279 E CB -0.591 29.124 29.700 0.025 0.000 0.788 279 E HN 0.324 nan 8.360 nan 0.000 0.521 280 R N 0.207 120.712 120.500 0.009 0.000 2.310 280 R HA 0.283 4.621 4.340 -0.003 0.000 0.202 280 R C 2.252 178.500 176.300 -0.086 0.000 0.933 280 R CA 0.026 56.120 56.100 -0.010 0.000 1.054 280 R CB -0.068 30.247 30.300 0.025 0.000 0.985 280 R HN 0.199 nan 8.270 nan 0.000 0.489 281 I N 1.556 122.085 120.570 -0.068 0.000 2.163 281 I HA -0.205 3.963 4.170 -0.003 0.000 0.243 281 I C -0.783 175.297 176.117 -0.063 0.000 1.085 281 I CA 1.449 62.693 61.300 -0.093 0.000 1.347 281 I CB -0.983 37.002 38.000 -0.025 0.000 1.044 281 I HN 0.026 nan 8.210 nan 0.000 0.408 282 P HA -0.168 nan 4.420 nan 0.000 0.215 282 P C 1.456 178.768 177.300 0.021 0.000 1.153 282 P CA 1.780 64.894 63.100 0.023 0.000 0.853 282 P CB -0.004 31.718 31.700 0.037 0.000 0.788 283 A N -0.174 122.648 122.820 0.004 0.000 1.930 283 A HA -0.054 4.264 4.320 -0.003 0.000 0.217 283 A C 2.282 179.866 177.584 0.000 0.000 1.175 283 A CA 1.834 53.890 52.037 0.031 0.000 0.627 283 A CB -1.533 17.498 19.000 0.052 0.000 0.815 283 A HN 0.181 nan 8.150 nan 0.000 0.443 284 A N -0.950 121.752 122.820 -0.197 0.000 1.933 284 A HA -0.197 4.120 4.320 -0.003 0.000 0.218 284 A C 2.376 179.905 177.584 -0.091 0.000 1.175 284 A CA 1.620 53.357 52.037 -0.500 0.000 0.628 284 A CB -1.429 16.854 19.000 -1.194 0.000 0.814 284 A HN 0.854 nan 8.150 nan 0.000 0.444 285 C N -0.594 118.698 119.300 -0.013 0.000 2.413 285 C HA -0.130 4.327 4.460 -0.003 0.000 0.276 285 C C 2.575 177.643 174.990 0.130 0.000 1.236 285 C CA 1.884 60.970 59.018 0.114 0.000 1.735 285 C CB -1.020 26.788 27.740 0.113 0.000 2.031 285 C HN 0.668 nan 8.230 nan 0.000 0.474 286 E N 0.649 120.913 120.200 0.107 0.000 2.072 286 E HA -0.173 4.175 4.350 -0.003 0.000 0.191 286 E C 2.055 178.714 176.600 0.100 0.000 0.985 286 E CA 1.768 58.238 56.400 0.116 0.000 0.801 286 E CB -0.389 29.402 29.700 0.152 0.000 0.750 286 E HN 0.779 nan 8.360 nan 0.000 0.452 287 E N -0.100 120.190 120.200 0.150 0.000 2.106 287 E HA -0.102 4.246 4.350 -0.003 0.000 0.192 287 E C 1.893 178.557 176.600 0.107 0.000 0.984 287 E CA 1.015 57.508 56.400 0.156 0.000 0.806 287 E CB -0.267 29.619 29.700 0.309 0.000 0.750 287 E HN 0.327 nan 8.360 nan 0.000 0.458 288 L N -0.108 121.246 121.223 0.217 0.000 2.093 288 L HA -0.088 4.249 4.340 -0.003 0.000 0.208 288 L C 2.452 179.556 176.870 0.389 0.000 1.085 288 L CA 0.690 55.725 54.840 0.324 0.000 0.755 288 L CB -0.335 41.989 42.059 0.441 0.000 0.904 288 L HN 0.202 nan 8.230 nan 0.000 0.435 289 L N -0.481 120.846 121.223 0.173 0.000 2.131 289 L HA -0.207 4.131 4.340 -0.003 0.000 0.210 289 L C 2.844 179.489 176.870 -0.375 0.000 1.092 289 L CA 1.087 55.768 54.840 -0.266 0.000 0.759 289 L CB -0.390 41.327 42.059 -0.571 0.000 0.903 289 L HN 0.271 nan 8.230 nan 0.000 0.435 290 R N 0.154 120.476 120.500 -0.297 0.000 2.052 290 R HA -0.171 4.167 4.340 -0.003 0.000 0.226 290 R C 2.473 178.609 176.300 -0.274 0.000 1.145 290 R CA 1.218 57.154 56.100 -0.273 0.000 0.952 290 R CB -0.089 30.154 30.300 -0.096 0.000 0.847 290 R HN 0.050 nan 8.270 nan 0.000 0.431 291 R N 0.078 120.375 120.500 -0.338 0.000 2.096 291 R HA -0.083 4.254 4.340 -0.003 0.000 0.235 291 R C 0.688 176.443 176.300 -0.909 0.000 1.127 291 R CA 1.639 57.340 56.100 -0.665 0.000 0.968 291 R CB -0.288 29.449 30.300 -0.937 0.000 0.861 291 R HN 0.267 nan 8.270 nan 0.000 0.440 292 F N 0.299 120.144 119.950 -0.176 0.000 2.850 292 F HA 0.390 4.915 4.527 -0.004 0.000 0.306 292 F C 0.449 176.115 175.800 -0.224 0.000 1.162 292 F CA -0.545 57.284 58.000 -0.286 0.000 1.327 292 F CB 0.272 39.095 39.000 -0.295 0.000 0.953 292 F HN -0.119 nan 8.300 nan 0.000 0.507 293 S N 1.776 117.362 115.700 -0.190 0.000 2.558 293 S HA 0.165 4.633 4.470 -0.003 0.000 0.287 293 S C 0.867 175.291 174.600 -0.293 0.000 1.321 293 S CA 0.003 58.052 58.200 -0.253 0.000 1.048 293 S CB 0.455 63.476 63.200 -0.299 0.000 0.844 293 S HN 0.569 nan 8.310 nan 0.000 0.512 294 L N 2.242 123.317 121.223 -0.247 0.000 3.515 294 L HA 0.578 4.916 4.340 -0.003 0.000 0.322 294 L C -0.850 175.876 176.870 -0.241 0.000 1.225 294 L CA -0.567 54.133 54.840 -0.233 0.000 1.104 294 L CB 0.249 42.321 42.059 0.021 0.000 1.506 294 L HN 0.328 nan 8.230 nan 0.000 0.624 295 V N 1.728 121.486 119.914 -0.259 0.000 2.630 295 V HA 0.854 4.972 4.120 -0.003 0.000 0.305 295 V C 0.228 176.145 176.094 -0.296 0.000 1.046 295 V CA 0.023 62.187 62.300 -0.227 0.000 0.934 295 V CB 1.562 33.298 31.823 -0.145 0.000 1.003 295 V HN 0.330 nan 8.190 nan 0.000 0.451 296 A N 3.197 125.854 122.820 -0.271 0.000 2.768 296 A HA 0.663 4.981 4.320 -0.003 0.000 0.298 296 A C -0.728 176.767 177.584 -0.147 0.000 1.159 296 A CA -0.622 51.280 52.037 -0.224 0.000 0.783 296 A CB 0.506 19.265 19.000 -0.403 0.000 1.333 296 A HN 0.848 nan 8.150 nan 0.000 0.412 297 D N 1.203 121.565 120.400 -0.064 0.000 2.726 297 D HA 0.865 5.503 4.640 -0.003 0.000 0.241 297 D C 0.536 176.869 176.300 0.055 0.000 1.150 297 D CA 0.079 54.033 54.000 -0.076 0.000 1.089 297 D CB 1.061 41.832 40.800 -0.048 0.000 1.260 297 D HN 0.858 nan 8.370 nan 0.000 0.637 298 G N -1.803 107.042 108.800 0.074 0.000 2.588 298 G HA2 0.548 4.505 3.960 -0.003 0.000 0.281 298 G HA3 0.548 4.505 3.960 -0.003 0.000 0.281 298 G C -1.087 173.848 174.900 0.058 0.000 1.223 298 G CA -0.697 44.434 45.100 0.052 0.000 0.871 298 G HN 0.462 nan 8.290 nan 0.000 0.492 299 R N -1.285 119.240 120.500 0.043 0.000 2.846 299 R HA 0.645 4.983 4.340 -0.003 0.000 0.263 299 R C -1.461 174.924 176.300 0.140 0.000 1.080 299 R CA -0.724 55.435 56.100 0.097 0.000 0.961 299 R CB 1.545 31.933 30.300 0.148 0.000 1.231 299 R HN 0.605 nan 8.270 nan 0.000 0.465 300 I N 1.322 121.980 120.570 0.146 0.000 2.545 300 I HA 0.279 4.447 4.170 -0.003 0.000 0.292 300 I C -0.672 175.520 176.117 0.125 0.000 1.040 300 I CA -1.057 60.330 61.300 0.145 0.000 1.068 300 I CB 1.395 39.453 38.000 0.097 0.000 1.251 300 I HN 0.224 nan 8.210 nan 0.000 0.424 301 L N 6.356 127.654 121.223 0.124 0.000 2.462 301 L HA 0.107 4.445 4.340 -0.003 0.000 0.272 301 L C 1.572 178.438 176.870 -0.006 0.000 1.166 301 L CA 0.500 55.344 54.840 0.008 0.000 0.880 301 L CB 0.984 43.078 42.059 0.057 0.000 1.142 301 L HN 0.803 nan 8.230 nan 0.000 0.473 302 T N -1.615 112.897 114.554 -0.070 0.000 3.081 302 T HA 0.075 4.422 4.350 -0.003 0.000 0.255 302 T C 0.711 175.390 174.700 -0.035 0.000 1.113 302 T CA 0.440 62.512 62.100 -0.047 0.000 1.082 302 T CB 0.149 68.966 68.868 -0.084 0.000 0.939 302 T HN 0.646 nan 8.240 nan 0.000 0.506 303 S N -0.355 115.329 115.700 -0.027 0.000 2.615 303 S HA 0.425 4.893 4.470 -0.003 0.000 0.268 303 S C -2.116 172.501 174.600 0.028 0.000 1.146 303 S CA -1.174 57.028 58.200 0.003 0.000 0.818 303 S CB 0.884 64.087 63.200 0.006 0.000 1.111 303 S HN 0.058 nan 8.310 nan 0.000 0.465 304 D N 1.060 121.481 120.400 0.034 0.000 2.443 304 D HA 0.464 5.102 4.640 -0.003 0.000 0.239 304 D C -0.849 175.518 176.300 0.110 0.000 1.136 304 D CA 0.996 55.021 54.000 0.043 0.000 0.879 304 D CB 0.178 40.988 40.800 0.017 0.000 1.195 304 D HN 0.540 nan 8.370 nan 0.000 0.443 305 Y N 0.389 120.623 120.300 -0.110 0.000 2.436 305 Y HA 0.161 4.709 4.550 -0.003 0.000 0.327 305 Y C -1.158 174.671 175.900 -0.119 0.000 1.138 305 Y CA -0.990 56.997 58.100 -0.188 0.000 1.042 305 Y CB 1.316 39.530 38.460 -0.411 0.000 1.302 305 Y HN 0.316 nan 8.280 nan 0.000 0.439 306 E N 5.933 125.832 120.200 -0.502 0.000 2.130 306 E HA 0.324 4.672 4.350 -0.003 0.000 0.284 306 E C -1.879 174.272 176.600 -0.747 0.000 1.018 306 E CA -0.439 55.692 56.400 -0.449 0.000 0.817 306 E CB 0.525 30.071 29.700 -0.258 0.000 1.078 306 E HN 0.445 nan 8.360 nan 0.000 0.396 307 F N 5.390 124.947 119.950 -0.655 0.000 2.445 307 F HA 0.247 4.772 4.527 -0.003 0.000 0.348 307 F C -0.326 175.373 175.800 -0.170 0.000 1.125 307 F CA -0.637 57.082 58.000 -0.470 0.000 0.983 307 F CB 0.463 39.346 39.000 -0.196 0.000 1.198 307 F HN 0.632 nan 8.300 nan 0.000 0.436 308 H N 4.091 122.826 119.070 -0.559 0.000 2.692 308 H HA -0.189 4.365 4.556 -0.004 0.000 0.316 308 H C 1.425 176.595 175.328 -0.263 0.000 1.176 308 H CA 1.107 56.880 56.048 -0.458 0.000 1.142 308 H CB -1.063 28.326 29.762 -0.622 0.000 1.475 308 H HN 1.171 nan 8.280 nan 0.000 0.423 309 G N -1.174 107.529 108.800 -0.161 0.000 2.184 309 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.264 309 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.264 309 G C 0.277 175.137 174.900 -0.068 0.000 0.975 309 G CA 0.355 45.399 45.100 -0.094 0.000 0.642 309 G HN 0.492 nan 8.290 nan 0.000 0.536 310 V N 0.575 120.426 119.914 -0.106 0.000 2.459 310 V HA 0.610 4.728 4.120 -0.003 0.000 0.295 310 V C 0.311 176.316 176.094 -0.147 0.000 1.029 310 V CA -0.796 61.430 62.300 -0.123 0.000 0.874 310 V CB 1.843 33.524 31.823 -0.235 0.000 0.985 310 V HN 0.346 nan 8.190 nan 0.000 0.438 311 Q N 4.456 124.223 119.800 -0.055 0.000 2.337 311 Q HA 0.478 4.816 4.340 -0.003 0.000 0.255 311 Q C -1.130 174.916 176.000 0.077 0.000 0.997 311 Q CA 0.279 56.083 55.803 0.001 0.000 0.925 311 Q CB 0.614 29.398 28.738 0.076 0.000 1.212 311 Q HN 0.678 nan 8.270 nan 0.000 0.436 312 L N 3.583 124.804 121.223 -0.003 0.000 2.334 312 L HA 0.588 4.926 4.340 -0.003 0.000 0.275 312 L C 0.274 177.215 176.870 0.118 0.000 1.036 312 L CA -1.000 53.898 54.840 0.097 0.000 0.807 312 L CB 1.358 43.391 42.059 -0.043 0.000 1.231 312 L HN 0.390 nan 8.230 nan 0.000 0.438 313 K N 1.856 122.343 120.400 0.146 0.000 2.156 313 K HA 0.299 4.617 4.320 -0.003 0.000 0.254 313 K C -0.596 176.038 176.600 0.056 0.000 0.950 313 K CA -0.936 55.323 56.287 -0.045 0.000 0.849 313 K CB 2.272 34.531 32.500 -0.402 0.000 1.100 313 K HN 0.437 nan 8.250 nan 0.000 0.434 314 K N 0.223 120.635 120.400 0.020 0.000 2.511 314 K HA -0.031 4.287 4.320 -0.003 0.000 0.280 314 K C 0.750 177.392 176.600 0.069 0.000 1.008 314 K CA 1.539 57.849 56.287 0.038 0.000 1.050 314 K CB -0.063 32.447 32.500 0.016 0.000 0.889 314 K HN 0.795 nan 8.250 nan 0.000 0.484 315 G N 3.067 111.925 108.800 0.097 0.000 2.258 315 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.233 315 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.233 315 G C -0.375 174.643 174.900 0.196 0.000 1.006 315 G CA 0.097 45.269 45.100 0.120 0.000 0.620 315 G HN 0.724 nan 8.290 nan 0.000 0.511 316 D N 1.710 122.278 120.400 0.279 0.000 2.443 316 D HA 0.414 5.051 4.640 -0.003 0.000 0.239 316 D C 0.831 177.374 176.300 0.405 0.000 1.136 316 D CA 0.572 54.847 54.000 0.458 0.000 0.879 316 D CB 0.530 41.775 40.800 0.741 0.000 1.195 316 D HN 0.508 nan 8.370 nan 0.000 0.443 317 Q N 0.882 120.913 119.800 0.386 0.000 2.230 317 Q HA 0.598 4.936 4.340 -0.003 0.000 0.253 317 Q C -0.383 175.840 176.000 0.372 0.000 0.919 317 Q CA -0.598 55.370 55.803 0.275 0.000 0.908 317 Q CB 2.474 31.297 28.738 0.141 0.000 1.245 317 Q HN 0.463 nan 8.270 nan 0.000 0.437 318 I N 2.836 123.580 120.570 0.290 0.000 2.478 318 I HA 0.249 4.417 4.170 -0.003 0.000 0.287 318 I C -1.626 174.562 176.117 0.119 0.000 1.042 318 I CA -1.090 60.391 61.300 0.302 0.000 1.067 318 I CB 1.193 39.369 38.000 0.293 0.000 1.233 318 I HN 0.496 nan 8.210 nan 0.000 0.431 319 L N 8.371 129.676 121.223 0.136 0.000 2.319 319 L HA 0.417 4.755 4.340 -0.003 0.000 0.280 319 L C -1.106 175.790 176.870 0.043 0.000 1.099 319 L CA 0.258 55.131 54.840 0.056 0.000 0.828 319 L CB 0.813 42.930 42.059 0.098 0.000 1.150 319 L HN 0.551 nan 8.230 nan 0.000 0.442 320 L N 7.630 128.844 121.223 -0.015 0.000 2.445 320 L HA 0.386 4.724 4.340 -0.003 0.000 0.252 320 L C -2.180 174.752 176.870 0.103 0.000 1.105 320 L CA -1.726 53.066 54.840 -0.080 0.000 0.943 320 L CB 0.883 42.629 42.059 -0.523 0.000 1.277 320 L HN 0.490 nan 8.230 nan 0.000 0.465 321 P HA 0.015 nan 4.420 nan 0.000 0.259 321 P C 0.275 177.574 177.300 -0.003 0.000 1.211 321 P CA 0.142 63.258 63.100 0.027 0.000 0.810 321 P CB 0.730 32.477 31.700 0.077 0.000 0.815 322 Q N 2.714 122.505 119.800 -0.015 0.000 2.181 322 Q HA -0.192 4.146 4.340 -0.003 0.000 0.205 322 Q C 1.901 177.827 176.000 -0.124 0.000 0.980 322 Q CA 1.583 57.361 55.803 -0.042 0.000 0.862 322 Q CB -0.524 28.154 28.738 -0.101 0.000 0.905 322 Q HN 0.523 nan 8.270 nan 0.000 0.429 323 M N -0.325 119.140 119.600 -0.226 0.000 2.149 323 M HA -0.193 4.285 4.480 -0.003 0.000 0.261 323 M C 1.388 177.570 176.300 -0.197 0.000 1.064 323 M CA 1.513 56.642 55.300 -0.284 0.000 1.102 323 M CB 0.016 32.325 32.600 -0.485 0.000 1.369 323 M HN 0.288 nan 8.290 nan 0.000 0.408 324 L N -0.582 120.561 121.223 -0.133 0.000 2.217 324 L HA -0.125 4.213 4.340 -0.003 0.000 0.211 324 L C 2.410 179.237 176.870 -0.072 0.000 1.107 324 L CA 0.648 55.441 54.840 -0.079 0.000 0.783 324 L CB -0.565 41.474 42.059 -0.033 0.000 0.919 324 L HN 0.318 nan 8.230 nan 0.000 0.442 325 S N 0.524 116.187 115.700 -0.061 0.000 2.359 325 S HA -0.187 4.281 4.470 -0.003 0.000 0.223 325 S C 1.987 176.557 174.600 -0.050 0.000 1.039 325 S CA 1.585 59.752 58.200 -0.054 0.000 1.042 325 S CB -0.734 62.438 63.200 -0.047 0.000 0.915 325 S HN 0.605 nan 8.310 nan 0.000 0.439 326 G N 0.715 109.491 108.800 -0.041 0.000 2.534 326 G HA2 0.005 3.963 3.960 -0.003 0.000 0.217 326 G HA3 0.005 3.963 3.960 -0.003 0.000 0.217 326 G C 1.121 175.978 174.900 -0.071 0.000 1.128 326 G CA 0.259 45.341 45.100 -0.030 0.000 0.784 326 G HN 0.455 nan 8.290 nan 0.000 0.542 327 L N 0.151 121.319 121.223 -0.092 0.000 2.567 327 L HA 0.176 4.514 4.340 -0.003 0.000 0.225 327 L C 0.533 177.359 176.870 -0.074 0.000 1.119 327 L CA -0.300 54.480 54.840 -0.100 0.000 0.871 327 L CB 0.098 42.089 42.059 -0.113 0.000 1.036 327 L HN 0.016 nan 8.230 nan 0.000 0.459 328 D N 1.655 122.015 120.400 -0.066 0.000 2.382 328 D HA -0.060 4.577 4.640 -0.003 0.000 0.259 328 D C 1.258 177.528 176.300 -0.050 0.000 1.224 328 D CA 0.052 54.015 54.000 -0.061 0.000 0.894 328 D CB 1.084 41.846 40.800 -0.064 0.000 1.127 328 D HN 0.376 nan 8.370 nan 0.000 0.487 329 E N 3.319 123.492 120.200 -0.045 0.000 2.267 329 E HA -0.223 4.125 4.350 -0.003 0.000 0.197 329 E C 1.219 177.799 176.600 -0.032 0.000 0.998 329 E CA 0.793 57.173 56.400 -0.034 0.000 0.830 329 E CB -0.053 29.630 29.700 -0.028 0.000 0.751 329 E HN 0.435 nan 8.360 nan 0.000 0.491 330 R N 0.481 120.957 120.500 -0.040 0.000 2.235 330 R HA 0.017 4.355 4.340 -0.003 0.000 0.213 330 R C 1.739 178.018 176.300 -0.034 0.000 1.059 330 R CA 1.118 57.196 56.100 -0.038 0.000 0.997 330 R CB 0.044 30.316 30.300 -0.047 0.000 0.884 330 R HN 0.338 nan 8.270 nan 0.000 0.462 331 E N -0.380 119.799 120.200 -0.036 0.000 2.290 331 E HA 0.112 4.460 4.350 -0.003 0.000 0.197 331 E C -0.226 176.360 176.600 -0.023 0.000 0.948 331 E CA 0.225 56.606 56.400 -0.032 0.000 0.895 331 E CB 0.610 30.287 29.700 -0.039 0.000 0.865 331 E HN 0.180 nan 8.360 nan 0.000 0.486 332 N N 0.385 119.071 118.700 -0.024 0.000 2.519 332 N HA 0.274 5.011 4.740 -0.003 0.000 0.291 332 N C -1.174 174.327 175.510 -0.015 0.000 1.107 332 N CA -0.183 52.857 53.050 -0.016 0.000 0.904 332 N CB 2.028 40.505 38.487 -0.017 0.000 1.500 332 N HN -0.026 nan 8.380 nan 0.000 0.510 333 A N 0.432 123.246 122.820 -0.010 0.000 2.425 333 A HA 0.287 4.605 4.320 -0.003 0.000 0.242 333 A C 0.788 178.375 177.584 0.006 0.000 1.077 333 A CA -0.014 52.019 52.037 -0.007 0.000 0.781 333 A CB -0.138 18.856 19.000 -0.011 0.000 1.020 333 A HN 0.978 nan 8.150 nan 0.000 0.494 334 C N 1.269 120.584 119.300 0.025 0.000 3.899 334 C HA -0.106 4.352 4.460 -0.003 0.000 0.297 334 C C -0.268 174.772 174.990 0.082 0.000 1.371 334 C CA -0.045 59.029 59.018 0.093 0.000 2.088 334 C CB -2.553 25.221 27.740 0.056 0.000 1.346 334 C HN 0.877 nan 8.230 nan 0.000 0.658 335 P HA -0.204 nan 4.420 nan 0.000 0.216 335 P C 1.361 178.604 177.300 -0.096 0.000 1.150 335 P CA 1.736 64.810 63.100 -0.042 0.000 0.843 335 P CB -0.012 31.654 31.700 -0.056 0.000 0.787 336 M N -1.897 117.643 119.600 -0.100 0.000 2.618 336 M HA 0.045 4.523 4.480 -0.003 0.000 0.240 336 M C 0.996 177.141 176.300 -0.258 0.000 1.123 336 M CA 0.381 55.560 55.300 -0.202 0.000 1.060 336 M CB -1.447 31.039 32.600 -0.190 0.000 1.535 336 M HN 0.042 nan 8.290 nan 0.000 0.507 337 H N 0.106 119.112 119.070 -0.107 0.000 2.525 337 H HA 0.320 4.874 4.556 -0.004 0.000 0.339 337 H C -0.440 174.804 175.328 -0.141 0.000 1.109 337 H CA -0.243 55.758 56.048 -0.078 0.000 1.352 337 H CB 1.871 31.614 29.762 -0.031 0.000 1.461 337 H HN -0.186 nan 8.280 nan 0.000 0.533 338 V N 3.843 123.735 119.914 -0.037 0.000 2.318 338 V HA 0.013 4.131 4.120 -0.003 0.000 0.271 338 V C 0.158 176.233 176.094 -0.033 0.000 1.030 338 V CA -0.432 61.751 62.300 -0.195 0.000 0.844 338 V CB 0.984 32.425 31.823 -0.635 0.000 1.015 338 V HN 0.647 nan 8.190 nan 0.000 0.460 339 D N 4.282 124.668 120.400 -0.023 0.000 2.454 339 D HA 0.338 4.976 4.640 -0.003 0.000 0.247 339 D C 0.533 176.908 176.300 0.125 0.000 1.129 339 D CA -0.577 53.429 54.000 0.010 0.000 0.877 339 D CB 0.982 41.800 40.800 0.030 0.000 1.082 339 D HN 0.242 nan 8.370 nan 0.000 0.537 340 F N 1.296 121.332 119.950 0.143 0.000 2.546 340 F HA -0.020 4.505 4.527 -0.003 0.000 0.298 340 F C 2.139 177.986 175.800 0.079 0.000 1.120 340 F CA 0.408 58.478 58.000 0.118 0.000 1.456 340 F CB -0.386 38.699 39.000 0.142 0.000 1.088 340 F HN 0.278 nan 8.300 nan 0.000 0.572 341 S N -0.999 114.834 115.700 0.222 0.000 2.572 341 S HA 0.093 4.561 4.470 -0.003 0.000 0.228 341 S C 0.823 175.480 174.600 0.096 0.000 0.963 341 S CA -0.536 57.746 58.200 0.136 0.000 0.939 341 S CB -0.191 63.065 63.200 0.095 0.000 0.804 341 S HN 0.155 nan 8.310 nan 0.000 0.480 342 R N 2.255 122.817 120.500 0.103 0.000 2.486 342 R HA -0.019 4.319 4.340 -0.003 0.000 0.303 342 R C 1.184 177.522 176.300 0.064 0.000 0.958 342 R CA 0.206 56.348 56.100 0.070 0.000 1.077 342 R CB 0.274 30.618 30.300 0.073 0.000 0.921 342 R HN 0.224 nan 8.270 nan 0.000 0.406 343 Q N 2.528 122.354 119.800 0.044 0.000 2.002 343 Q HA -0.188 4.150 4.340 -0.003 0.000 0.204 343 Q C 0.274 176.297 176.000 0.037 0.000 0.988 343 Q CA 1.743 57.569 55.803 0.038 0.000 0.843 343 Q CB -0.159 28.594 28.738 0.025 0.000 0.908 343 Q HN 0.288 nan 8.270 nan 0.000 0.420 344 K N 0.876 121.294 120.400 0.031 0.000 2.464 344 K HA 0.260 4.578 4.320 -0.003 0.000 0.252 344 K C -1.484 175.134 176.600 0.030 0.000 1.000 344 K CA -0.335 55.967 56.287 0.026 0.000 0.951 344 K CB 1.082 33.590 32.500 0.014 0.000 1.183 344 K HN -0.213 nan 8.250 nan 0.000 0.445 345 V N 3.598 123.540 119.914 0.047 0.000 2.338 345 V HA 0.187 4.305 4.120 -0.003 0.000 0.255 345 V C 0.143 176.264 176.094 0.045 0.000 1.082 345 V CA -0.459 61.884 62.300 0.073 0.000 0.951 345 V CB 0.318 32.217 31.823 0.126 0.000 1.102 345 V HN 0.756 nan 8.190 nan 0.000 0.489 346 S N 4.976 120.687 115.700 0.019 0.000 2.499 346 S HA 0.683 5.151 4.470 -0.003 0.000 0.279 346 S C -0.496 174.115 174.600 0.018 0.000 1.219 346 S CA -0.370 57.808 58.200 -0.036 0.000 1.062 346 S CB 0.244 63.425 63.200 -0.031 0.000 0.978 346 S HN 1.100 nan 8.310 nan 0.000 0.489 347 H N -0.003 119.045 119.070 -0.035 0.000 2.950 347 H HA 0.478 5.032 4.556 -0.004 0.000 0.307 347 H C -0.599 174.699 175.328 -0.050 0.000 1.403 347 H CA -0.349 55.660 56.048 -0.065 0.000 1.145 347 H CB 0.622 30.330 29.762 -0.090 0.000 1.844 347 H HN 0.331 nan 8.280 nan 0.000 0.515 348 T N -2.412 112.252 114.554 0.183 0.000 3.487 348 T HA 0.182 4.530 4.350 -0.003 0.000 0.287 348 T C 0.423 175.179 174.700 0.094 0.000 1.004 348 T CA 0.129 62.302 62.100 0.122 0.000 0.977 348 T CB -0.415 68.464 68.868 0.018 0.000 1.180 348 T HN 0.614 nan 8.240 nan 0.000 0.490 349 T N 1.332 115.971 114.554 0.142 0.000 2.759 349 T HA 0.016 4.364 4.350 -0.003 0.000 0.269 349 T C 0.474 174.956 174.700 -0.362 0.000 1.042 349 T CA 1.322 63.234 62.100 -0.314 0.000 1.140 349 T CB -0.382 68.016 68.868 -0.783 0.000 0.864 349 T HN 0.490 nan 8.240 nan 0.000 0.455 350 F N 1.143 121.094 119.950 0.001 0.000 2.645 350 F HA 0.478 5.004 4.527 -0.003 0.000 0.300 350 F C 1.548 177.314 175.800 -0.057 0.000 1.115 350 F CA -0.238 57.735 58.000 -0.046 0.000 1.355 350 F CB -0.368 38.609 39.000 -0.038 0.000 1.026 350 F HN 0.297 nan 8.300 nan 0.000 0.536 351 G N -0.038 108.791 108.800 0.047 0.000 2.610 351 G HA2 -0.025 3.933 3.960 -0.003 0.000 0.304 351 G HA3 -0.025 3.933 3.960 -0.003 0.000 0.304 351 G C -1.575 173.327 174.900 0.003 0.000 1.309 351 G CA -0.792 44.257 45.100 -0.086 0.000 0.906 351 G HN 0.493 nan 8.290 nan 0.000 0.521 352 H N -1.039 117.890 119.070 -0.235 0.000 3.079 352 H HA 0.694 5.248 4.556 -0.003 0.000 0.356 352 H C 0.527 175.856 175.328 0.002 0.000 1.221 352 H CA 1.852 57.856 56.048 -0.073 0.000 1.185 352 H CB 1.382 31.148 29.762 0.006 0.000 1.882 352 H HN 2.663 nan 8.280 nan 0.000 0.543 353 G N 0.997 109.565 108.800 -0.387 0.000 2.545 353 G HA2 -0.224 3.733 3.960 -0.003 0.000 0.216 353 G HA3 -0.224 3.733 3.960 -0.003 0.000 0.216 353 G C 0.998 175.864 174.900 -0.055 0.000 1.314 353 G CA 0.463 45.498 45.100 -0.107 0.000 0.906 353 G HN 1.379 nan 8.290 nan 0.000 0.563 354 S N -0.959 114.737 115.700 -0.006 0.000 2.515 354 S HA 0.013 4.481 4.470 -0.003 0.000 0.231 354 S C 1.245 175.700 174.600 -0.241 0.000 0.987 354 S CA 1.669 59.782 58.200 -0.145 0.000 0.936 354 S CB -0.219 62.824 63.200 -0.261 0.000 0.766 354 S HN 0.728 nan 8.310 nan 0.000 0.528 355 H N 0.931 119.991 119.070 -0.016 0.000 2.505 355 H HA 0.380 4.934 4.556 -0.003 0.000 0.289 355 H C 0.055 175.366 175.328 -0.029 0.000 1.052 355 H CA -0.368 55.674 56.048 -0.009 0.000 1.156 355 H CB -0.078 29.692 29.762 0.013 0.000 1.507 355 H HN 0.379 nan 8.280 nan 0.000 0.548 356 L N 1.348 122.582 121.223 0.019 0.000 2.615 356 L HA -0.125 4.213 4.340 -0.003 0.000 0.284 356 L C 1.043 177.914 176.870 0.001 0.000 1.237 356 L CA 0.057 54.898 54.840 0.002 0.000 0.905 356 L CB 0.216 42.256 42.059 -0.032 0.000 1.149 356 L HN 0.349 nan 8.230 nan 0.000 0.499 357 C N 5.030 124.340 119.300 0.017 0.000 2.378 357 C HA -0.054 4.404 4.460 -0.003 0.000 0.395 357 C C 1.749 176.664 174.990 -0.125 0.000 1.476 357 C CA -0.152 58.856 59.018 -0.017 0.000 1.541 357 C CB -0.755 27.006 27.740 0.036 0.000 2.524 357 C HN 0.774 nan 8.230 nan 0.000 0.595 358 L N 4.861 126.039 121.223 -0.075 0.000 2.529 358 L HA 0.217 4.555 4.340 -0.003 0.000 0.223 358 L C 2.247 179.049 176.870 -0.112 0.000 1.113 358 L CA 1.018 55.811 54.840 -0.079 0.000 0.861 358 L CB -0.288 41.769 42.059 -0.003 0.000 1.012 358 L HN 0.956 nan 8.230 nan 0.000 0.461 359 G N -0.547 108.175 108.800 -0.129 0.000 3.337 359 G HA2 -0.001 3.957 3.960 -0.003 0.000 0.246 359 G HA3 -0.001 3.957 3.960 -0.003 0.000 0.246 359 G C 1.243 175.992 174.900 -0.251 0.000 1.131 359 G CA -0.194 44.838 45.100 -0.114 0.000 0.773 359 G HN 0.462 nan 8.290 nan 0.000 0.544 360 Q N -0.344 119.118 119.800 -0.563 0.000 2.291 360 Q HA -0.126 4.212 4.340 -0.003 0.000 0.205 360 Q C 1.624 177.265 176.000 -0.598 0.000 0.970 360 Q CA 0.965 56.179 55.803 -0.982 0.000 0.876 360 Q CB -0.398 27.253 28.738 -1.812 0.000 0.935 360 Q HN 0.438 nan 8.270 nan 0.000 0.455 361 H N 0.564 119.493 119.070 -0.235 0.000 2.363 361 H HA -0.035 4.519 4.556 -0.003 0.000 0.301 361 H C 2.106 177.398 175.328 -0.061 0.000 1.074 361 H CA 1.260 57.234 56.048 -0.123 0.000 1.354 361 H CB -0.093 29.618 29.762 -0.085 0.000 1.397 361 H HN 0.256 nan 8.280 nan 0.000 0.516 362 L N 1.155 122.408 121.223 0.050 0.000 2.056 362 L HA 0.004 4.342 4.340 -0.003 0.000 0.207 362 L C 2.501 179.397 176.870 0.043 0.000 1.078 362 L CA 1.709 56.576 54.840 0.044 0.000 0.749 362 L CB -0.855 41.224 42.059 0.034 0.000 0.901 362 L HN 0.154 nan 8.230 nan 0.000 0.433 363 A N -0.227 122.604 122.820 0.019 0.000 1.858 363 A HA -0.220 4.098 4.320 -0.003 0.000 0.216 363 A C 2.441 180.104 177.584 0.131 0.000 1.190 363 A CA 1.852 53.940 52.037 0.086 0.000 0.617 363 A CB -0.591 18.492 19.000 0.139 0.000 0.827 363 A HN 0.493 nan 8.150 nan 0.000 0.443 364 R N -1.327 119.229 120.500 0.094 0.000 2.096 364 R HA -0.133 4.205 4.340 -0.003 0.000 0.235 364 R C 2.443 178.831 176.300 0.146 0.000 1.127 364 R CA 1.488 57.666 56.100 0.130 0.000 0.968 364 R CB -0.260 30.098 30.300 0.097 0.000 0.861 364 R HN 0.419 nan 8.270 nan 0.000 0.440 365 R N 1.593 122.171 120.500 0.130 0.000 2.073 365 R HA -0.122 4.216 4.340 -0.003 0.000 0.234 365 R C 1.680 178.108 176.300 0.213 0.000 1.134 365 R CA 1.780 57.967 56.100 0.145 0.000 0.952 365 R CB -0.285 30.083 30.300 0.115 0.000 0.850 365 R HN 0.269 nan 8.270 nan 0.000 0.433 366 E N -0.396 119.940 120.200 0.227 0.000 2.110 366 E HA -0.163 4.185 4.350 -0.003 0.000 0.193 366 E C 2.020 178.899 176.600 0.467 0.000 0.988 366 E CA 1.561 58.191 56.400 0.385 0.000 0.804 366 E CB -0.166 29.648 29.700 0.190 0.000 0.745 366 E HN 0.366 nan 8.360 nan 0.000 0.458 367 I N 0.770 121.545 120.570 0.342 0.000 2.163 367 I HA -0.258 3.910 4.170 -0.003 0.000 0.240 367 I C 2.346 178.618 176.117 0.258 0.000 1.081 367 I CA 1.034 62.539 61.300 0.341 0.000 1.353 367 I CB -0.180 38.025 38.000 0.343 0.000 1.054 367 I HN 0.083 nan 8.210 nan 0.000 0.407 368 I N 0.009 120.704 120.570 0.208 0.000 2.226 368 I HA -0.246 3.922 4.170 -0.003 0.000 0.245 368 I C 2.510 178.714 176.117 0.145 0.000 1.100 368 I CA 1.104 62.494 61.300 0.150 0.000 1.374 368 I CB -0.278 37.794 38.000 0.121 0.000 1.057 368 I HN 0.032 nan 8.210 nan 0.000 0.413 369 V N 0.461 120.485 119.914 0.184 0.000 2.343 369 V HA -0.279 3.839 4.120 -0.003 0.000 0.247 369 V C 2.494 178.660 176.094 0.120 0.000 1.051 369 V CA 2.421 64.818 62.300 0.162 0.000 1.036 369 V CB -0.844 31.121 31.823 0.237 0.000 0.654 369 V HN 0.467 nan 8.190 nan 0.000 0.451 370 T N 0.447 115.095 114.554 0.158 0.000 2.708 370 T HA -0.142 4.206 4.350 -0.003 0.000 0.266 370 T C 1.890 176.639 174.700 0.081 0.000 1.037 370 T CA 1.620 63.778 62.100 0.097 0.000 1.146 370 T CB -0.308 68.689 68.868 0.216 0.000 0.865 370 T HN 0.289 nan 8.240 nan 0.000 0.435 371 L N 0.448 121.731 121.223 0.099 0.000 2.012 371 L HA -0.154 4.184 4.340 -0.003 0.000 0.210 371 L C 2.695 179.621 176.870 0.094 0.000 1.073 371 L CA 1.563 56.454 54.840 0.084 0.000 0.748 371 L CB -0.488 41.616 42.059 0.075 0.000 0.891 371 L HN 0.239 nan 8.230 nan 0.000 0.431 372 K N -0.387 120.059 120.400 0.078 0.000 2.002 372 K HA -0.146 4.171 4.320 -0.003 0.000 0.209 372 K C 2.051 178.678 176.600 0.045 0.000 1.048 372 K CA 1.161 57.484 56.287 0.059 0.000 0.930 372 K CB -0.116 32.416 32.500 0.053 0.000 0.714 372 K HN 0.210 nan 8.250 nan 0.000 0.438 373 E N 0.097 120.319 120.200 0.037 0.000 2.208 373 E HA -0.169 4.179 4.350 -0.003 0.000 0.193 373 E C 1.621 178.192 176.600 -0.049 0.000 0.988 373 E CA 0.619 57.014 56.400 -0.009 0.000 0.828 373 E CB -0.120 29.571 29.700 -0.015 0.000 0.763 373 E HN 0.476 nan 8.360 nan 0.000 0.478 374 W N 1.319 122.501 121.300 -0.197 0.000 2.407 374 W HA -0.043 4.615 4.660 -0.004 0.000 0.305 374 W C 1.737 178.127 176.519 -0.215 0.000 1.196 374 W CA 0.751 57.921 57.345 -0.293 0.000 1.311 374 W CB -0.333 28.893 29.460 -0.391 0.000 1.135 374 W HN 0.007 nan 8.180 nan 0.000 0.514 375 L N 0.546 121.873 121.223 0.173 0.000 2.191 375 L HA -0.205 4.133 4.340 -0.003 0.000 0.212 375 L C 2.320 179.194 176.870 0.006 0.000 1.103 375 L CA 1.540 56.464 54.840 0.141 0.000 0.769 375 L CB -1.061 41.097 42.059 0.165 0.000 0.908 375 L HN -0.130 nan 8.230 nan 0.000 0.438 376 T N -0.736 113.796 114.554 -0.037 0.000 2.821 376 T HA -0.114 4.234 4.350 -0.003 0.000 0.267 376 T C 2.025 176.655 174.700 -0.118 0.000 1.046 376 T CA 1.203 63.269 62.100 -0.058 0.000 1.139 376 T CB -0.008 68.832 68.868 -0.048 0.000 0.871 376 T HN 0.350 nan 8.240 nan 0.000 0.454 377 R N -0.109 120.258 120.500 -0.223 0.000 2.146 377 R HA 0.348 4.686 4.340 -0.003 0.000 0.206 377 R C 0.476 176.533 176.300 -0.404 0.000 1.049 377 R CA 0.556 56.477 56.100 -0.299 0.000 1.029 377 R CB 0.477 30.554 30.300 -0.371 0.000 0.949 377 R HN 0.294 nan 8.270 nan 0.000 0.471 378 I N 2.654 122.880 120.570 -0.573 0.000 2.833 378 I HA 0.183 4.351 4.170 -0.003 0.000 0.286 378 I C -1.918 174.118 176.117 -0.136 0.000 1.287 378 I CA -1.617 59.311 61.300 -0.621 0.000 1.046 378 I CB 1.931 39.073 38.000 -1.430 0.000 1.612 378 I HN -0.108 nan 8.210 nan 0.000 0.585 379 P HA -0.089 nan 4.420 nan 0.000 0.221 379 P C 0.173 177.575 177.300 0.170 0.000 1.150 379 P CA 1.194 64.368 63.100 0.124 0.000 0.800 379 P CB 0.367 32.093 31.700 0.045 0.000 0.787 380 D N -0.352 120.145 120.400 0.162 0.000 2.481 380 D HA 0.465 5.103 4.640 -0.003 0.000 0.246 380 D C -0.885 175.586 176.300 0.284 0.000 1.109 380 D CA -0.733 53.331 54.000 0.107 0.000 0.845 380 D CB 0.642 41.484 40.800 0.070 0.000 1.160 380 D HN -0.050 nan 8.370 nan 0.000 0.534 381 F N 0.935 120.956 119.950 0.119 0.000 2.686 381 F HA 0.779 5.304 4.527 -0.003 0.000 0.311 381 F C -0.986 174.899 175.800 0.140 0.000 1.128 381 F CA -1.010 57.124 58.000 0.224 0.000 0.946 381 F CB 1.002 40.171 39.000 0.281 0.000 1.336 381 F HN 0.208 nan 8.300 nan 0.000 0.457 382 S N 0.854 116.734 115.700 0.301 0.000 2.671 382 S HA 0.696 5.164 4.470 -0.003 0.000 0.277 382 S C -1.319 173.389 174.600 0.180 0.000 1.165 382 S CA -1.034 57.233 58.200 0.111 0.000 0.822 382 S CB 1.523 64.750 63.200 0.044 0.000 1.150 382 S HN 0.737 nan 8.310 nan 0.000 0.479 383 I N 1.947 122.567 120.570 0.084 0.000 2.692 383 I HA 0.326 4.494 4.170 -0.003 0.000 0.284 383 I C 1.354 177.515 176.117 0.074 0.000 1.159 383 I CA -0.086 61.261 61.300 0.077 0.000 1.423 383 I CB 0.234 38.252 38.000 0.030 0.000 1.380 383 I HN 1.005 nan 8.210 nan 0.000 0.580 384 A N 8.497 131.361 122.820 0.074 0.000 2.507 384 A HA 0.248 4.566 4.320 -0.003 0.000 0.235 384 A C -2.088 175.514 177.584 0.029 0.000 1.070 384 A CA -0.736 51.330 52.037 0.049 0.000 0.768 384 A CB -0.933 18.091 19.000 0.041 0.000 1.011 384 A HN 0.538 nan 8.150 nan 0.000 0.502 385 P HA 0.187 nan 4.420 nan 0.000 0.261 385 P C 1.000 178.305 177.300 0.009 0.000 1.183 385 P CA 1.999 65.105 63.100 0.011 0.000 0.761 385 P CB 0.340 32.042 31.700 0.004 0.000 0.785 386 G N 2.422 111.226 108.800 0.008 0.000 2.166 386 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.260 386 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.260 386 G C 0.460 175.365 174.900 0.009 0.000 0.986 386 G CA 0.066 45.169 45.100 0.006 0.000 0.683 386 G HN 0.855 nan 8.290 nan 0.000 0.527 387 A N -0.429 122.399 122.820 0.013 0.000 2.401 387 A HA 0.672 4.990 4.320 -0.003 0.000 0.259 387 A C 0.411 178.002 177.584 0.011 0.000 1.103 387 A CA 0.121 52.168 52.037 0.016 0.000 0.789 387 A CB 0.373 19.388 19.000 0.026 0.000 1.035 387 A HN 0.568 nan 8.150 nan 0.000 0.491 388 Q N 2.385 122.190 119.800 0.009 0.000 2.413 388 Q HA 0.360 4.698 4.340 -0.003 0.000 0.258 388 Q C -0.823 175.178 176.000 0.002 0.000 1.037 388 Q CA -0.588 55.215 55.803 0.001 0.000 0.764 388 Q CB 1.541 30.278 28.738 -0.000 0.000 1.217 388 Q HN 0.608 nan 8.270 nan 0.000 0.490 389 I N 2.657 123.224 120.570 -0.004 0.000 2.587 389 I HA 0.004 4.171 4.170 -0.003 0.000 0.284 389 I C 0.278 176.376 176.117 -0.031 0.000 1.134 389 I CA 0.253 61.556 61.300 0.006 0.000 1.410 389 I CB 0.159 38.174 38.000 0.025 0.000 1.392 389 I HN 0.634 nan 8.210 nan 0.000 0.545 390 Q N 6.933 126.751 119.800 0.030 0.000 2.293 390 Q HA 0.354 4.692 4.340 -0.003 0.000 0.261 390 Q C -0.976 175.137 176.000 0.188 0.000 0.960 390 Q CA -0.280 55.549 55.803 0.044 0.000 0.882 390 Q CB 1.137 29.907 28.738 0.052 0.000 1.275 390 Q HN 0.599 nan 8.270 nan 0.000 0.445 391 H N 1.518 120.649 119.070 0.101 0.000 2.559 391 H HA 0.588 5.142 4.556 -0.003 0.000 0.343 391 H C -0.553 174.854 175.328 0.131 0.000 1.209 391 H CA -1.162 54.970 56.048 0.140 0.000 1.287 391 H CB 1.509 31.428 29.762 0.261 0.000 1.650 391 H HN 0.555 nan 8.280 nan 0.000 0.567 392 K N 0.206 120.771 120.400 0.276 0.000 2.464 392 K HA 0.545 4.863 4.320 -0.003 0.000 0.253 392 K C -1.229 175.516 176.600 0.241 0.000 0.933 392 K CA -0.907 55.503 56.287 0.205 0.000 0.801 392 K CB 2.575 35.155 32.500 0.134 0.000 1.271 392 K HN 0.355 nan 8.250 nan 0.000 0.430 393 S N 0.448 116.294 115.700 0.243 0.000 2.568 393 S HA 0.909 5.377 4.470 -0.003 0.000 0.302 393 S C -0.450 174.295 174.600 0.242 0.000 1.082 393 S CA 0.213 58.589 58.200 0.294 0.000 1.009 393 S CB 1.469 64.895 63.200 0.376 0.000 1.069 393 S HN 1.011 nan 8.310 nan 0.000 0.500 394 G N 2.394 111.302 108.800 0.180 0.000 2.392 394 G HA2 0.207 4.165 3.960 -0.003 0.000 0.260 394 G HA3 0.207 4.165 3.960 -0.003 0.000 0.260 394 G C 0.186 175.037 174.900 -0.081 0.000 1.226 394 G CA -0.344 44.771 45.100 0.025 0.000 0.913 394 G HN 0.542 nan 8.290 nan 0.000 0.483 395 I N 0.073 120.581 120.570 -0.103 0.000 2.286 395 I HA 0.018 4.186 4.170 -0.003 0.000 0.248 395 I C 0.869 176.895 176.117 -0.151 0.000 1.115 395 I CA 1.529 62.682 61.300 -0.245 0.000 1.392 395 I CB -0.750 36.989 38.000 -0.435 0.000 1.065 395 I HN 0.043 nan 8.210 nan 0.000 0.418 396 V N 0.609 120.496 119.914 -0.045 0.000 2.531 396 V HA 0.306 4.424 4.120 -0.003 0.000 0.301 396 V C 0.076 176.196 176.094 0.044 0.000 1.034 396 V CA -0.587 61.705 62.300 -0.013 0.000 0.865 396 V CB 1.914 33.754 31.823 0.028 0.000 0.995 396 V HN 0.080 nan 8.190 nan 0.000 0.424 397 S N 2.210 117.947 115.700 0.063 0.000 2.672 397 S HA 0.907 5.375 4.470 -0.003 0.000 0.276 397 S C 0.410 175.169 174.600 0.264 0.000 1.207 397 S CA 0.081 58.385 58.200 0.174 0.000 1.002 397 S CB 1.800 65.095 63.200 0.157 0.000 0.998 397 S HN 1.171 nan 8.310 nan 0.000 0.542 398 G N -0.412 108.495 108.800 0.178 0.000 2.682 398 G HA2 0.568 4.525 3.960 -0.003 0.000 0.303 398 G HA3 0.568 4.525 3.960 -0.003 0.000 0.303 398 G C -1.852 172.815 174.900 -0.388 0.000 1.341 398 G CA -0.493 44.484 45.100 -0.205 0.000 0.784 398 G HN 0.615 nan 8.290 nan 0.000 0.497 399 V N 1.004 120.619 119.914 -0.498 0.000 2.417 399 V HA 0.268 4.386 4.120 -0.003 0.000 0.291 399 V C 1.007 177.055 176.094 -0.078 0.000 1.024 399 V CA -0.376 61.761 62.300 -0.272 0.000 0.861 399 V CB 1.270 32.863 31.823 -0.385 0.000 0.985 399 V HN 0.874 nan 8.190 nan 0.000 0.436 400 Q N 3.075 122.892 119.800 0.028 0.000 2.084 400 Q HA 0.106 4.444 4.340 -0.003 0.000 0.202 400 Q C 0.673 176.689 176.000 0.028 0.000 0.978 400 Q CA 1.600 57.423 55.803 0.034 0.000 0.844 400 Q CB 0.226 28.999 28.738 0.058 0.000 0.898 400 Q HN 0.887 nan 8.270 nan 0.000 0.426 401 A N 0.108 122.951 122.820 0.039 0.000 2.589 401 A HA 0.553 4.871 4.320 -0.003 0.000 0.296 401 A C -1.906 175.713 177.584 0.059 0.000 1.062 401 A CA -0.624 51.441 52.037 0.047 0.000 0.686 401 A CB 1.589 20.617 19.000 0.047 0.000 1.282 401 A HN 0.101 nan 8.150 nan 0.000 0.404 402 L N 2.981 124.255 121.223 0.085 0.000 2.481 402 L HA 0.481 4.819 4.340 -0.003 0.000 0.255 402 L C -2.649 174.298 176.870 0.130 0.000 1.192 402 L CA -1.478 53.417 54.840 0.093 0.000 0.924 402 L CB 1.747 43.860 42.059 0.090 0.000 1.179 402 L HN 0.455 nan 8.230 nan 0.000 0.491 403 P HA 0.264 nan 4.420 nan 0.000 0.282 403 P C -0.982 176.401 177.300 0.138 0.000 1.274 403 P CA 0.007 63.175 63.100 0.113 0.000 0.770 403 P CB 1.141 32.883 31.700 0.071 0.000 0.867 404 L N 3.852 125.200 121.223 0.208 0.000 2.333 404 L HA 0.733 5.071 4.340 -0.003 0.000 0.269 404 L C 0.468 177.495 176.870 0.262 0.000 1.010 404 L CA -1.219 53.805 54.840 0.307 0.000 0.818 404 L CB 2.225 44.560 42.059 0.460 0.000 1.306 404 L HN 0.224 nan 8.230 nan 0.000 0.430 405 V N -1.403 118.695 119.914 0.306 0.000 3.078 405 V HA 0.832 4.950 4.120 -0.003 0.000 0.311 405 V C -1.763 174.561 176.094 0.382 0.000 1.138 405 V CA -0.605 61.742 62.300 0.077 0.000 1.007 405 V CB 1.876 33.699 31.823 -0.001 0.000 1.045 405 V HN 0.987 nan 8.190 nan 0.000 0.432 406 W N 0.474 121.845 121.300 0.118 0.000 3.161 406 W HA 0.712 5.370 4.660 -0.003 0.000 0.314 406 W C -1.853 174.702 176.519 0.061 0.000 1.245 406 W CA -0.642 56.772 57.345 0.115 0.000 1.191 406 W CB 0.796 30.353 29.460 0.163 0.000 1.392 406 W HN 0.719 nan 8.180 nan 0.000 0.568 407 D N 2.236 122.801 120.400 0.276 0.000 2.313 407 D HA 0.361 4.999 4.640 -0.003 0.000 0.239 407 D C -1.477 174.969 176.300 0.245 0.000 1.142 407 D CA -2.433 51.657 54.000 0.150 0.000 0.847 407 D CB 1.958 42.823 40.800 0.109 0.000 1.082 407 D HN 0.078 nan 8.370 nan 0.000 0.480 408 P HA -0.126 nan 4.420 nan 0.000 0.218 408 P C 0.886 178.263 177.300 0.129 0.000 1.146 408 P CA 1.259 64.481 63.100 0.203 0.000 0.813 408 P CB 0.200 31.960 31.700 0.101 0.000 0.778 409 A N -0.606 122.269 122.820 0.090 0.000 2.125 409 A HA -0.134 4.184 4.320 -0.003 0.000 0.219 409 A C 1.975 179.595 177.584 0.059 0.000 1.156 409 A CA 2.020 54.092 52.037 0.059 0.000 0.671 409 A CB -1.607 17.419 19.000 0.044 0.000 0.794 409 A HN 0.351 nan 8.150 nan 0.000 0.459 410 T N -2.561 112.044 114.554 0.085 0.000 3.086 410 T HA 0.194 4.542 4.350 -0.003 0.000 0.250 410 T C 0.766 175.489 174.700 0.039 0.000 1.074 410 T CA 0.606 62.746 62.100 0.066 0.000 0.988 410 T CB -0.776 68.145 68.868 0.087 0.000 0.988 410 T HN 0.503 nan 8.240 nan 0.000 0.530 411 T N -0.452 114.123 114.554 0.036 0.000 2.897 411 T HA 0.631 4.979 4.350 -0.003 0.000 0.278 411 T C -0.735 173.941 174.700 -0.039 0.000 0.981 411 T CA -0.939 61.140 62.100 -0.036 0.000 0.973 411 T CB 1.646 70.485 68.868 -0.048 0.000 1.092 411 T HN 0.195 nan 8.240 nan 0.000 0.543 412 K N 0.379 120.731 120.400 -0.079 0.000 2.471 412 K HA 0.629 4.947 4.320 -0.003 0.000 0.252 412 K C -1.082 175.473 176.600 -0.076 0.000 0.938 412 K CA -0.878 55.372 56.287 -0.061 0.000 0.796 412 K CB 2.299 34.766 32.500 -0.055 0.000 1.161 412 K HN 0.833 nan 8.250 nan 0.000 0.425 413 A N 3.197 125.987 122.820 -0.050 0.000 2.276 413 A HA 0.451 4.769 4.320 -0.003 0.000 0.300 413 A C 0.183 177.743 177.584 -0.041 0.000 1.235 413 A CA -0.523 51.484 52.037 -0.049 0.000 0.867 413 A CB 0.322 19.305 19.000 -0.029 0.000 1.137 413 A HN 0.443 nan 8.150 nan 0.000 0.527 414 V N 0.000 119.886 119.914 -0.046 0.000 2.409 414 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 414 V CA 0.000 62.280 62.300 -0.033 0.000 1.235 414 V CB 0.000 31.801 31.823 -0.037 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556