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 3mo4_1_B DATA FIRST_RESID 8 DATA SEQUENCE GINLNYLANV RPSSRQLAWQ RXEXYAFLHF GXNTXTDREW GLGHEDPALF DATA SEQUENCE NPRNVDVDQW XDALVAGGXA GVILTCKHHD GFCLWPSRLT RHTVASSPWR DATA SEQUENCE EGKGDLVREV SESARRHGLK FGVYLSPWDR TEESYGKGKA YDDFYVGQLT DATA SEQUENCE ELLTQYGPIF SVWLDGANGE GKNGKTQYYD WDRYYNVIRS LQPDAVISVC DATA SEQUENCE GPDVRWAGNE AGHVRDNEWS VVPRRLRSAE LTXEXXXXXX XXXXXXTVSS DATA SEQUENCE QDDDLGSREA VAGYGDNVCW YPAEVDTSIR PGWFYHQSED DKVXSADQLF DATA SEQUENCE DLWLSAVGGN SSLLLNIPPS PEGLLAEPDV QSLKGLGRRV SEFREALASV DATA SEQUENCE RCEARTSSAS AAAAHLVDGN RDTFWRPDAD DAAPAITLTL PQPTTINAIV DATA SEQUENCE IEEAIEHGQR IEHLRVTGAL PDGTERVLGQ AGTVGYRRIL RFDDVEVSSV DATA SEQUENCE TLHVDGSRLA PXISRAAAVR I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 G HA2 0.000 nan 3.960 nan 0.000 0.244 8 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 8 G C 0.000 174.885 174.900 -0.026 0.000 0.946 8 G CA 0.000 45.083 45.100 -0.029 0.000 0.502 9 I N 1.379 121.939 120.570 -0.015 0.000 2.607 9 I HA 0.548 4.718 4.170 -0.001 0.000 0.290 9 I C -1.691 174.430 176.117 0.008 0.000 1.129 9 I CA -1.124 60.172 61.300 -0.007 0.000 1.042 9 I CB 2.366 40.359 38.000 -0.011 0.000 1.242 9 I HN 0.409 nan 8.210 nan 0.000 0.421 10 N N 7.039 125.755 118.700 0.026 0.000 2.621 10 N HA 0.222 4.962 4.740 -0.001 0.000 0.237 10 N C 0.323 175.884 175.510 0.086 0.000 0.997 10 N CA -0.465 52.617 53.050 0.053 0.000 0.918 10 N CB 1.209 39.732 38.487 0.061 0.000 1.122 10 N HN 0.657 nan 8.380 nan 0.000 0.510 11 L N 3.028 124.286 121.223 0.058 0.000 2.131 11 L HA -0.019 4.321 4.340 -0.001 0.000 0.210 11 L C 1.724 178.635 176.870 0.069 0.000 1.092 11 L CA 1.206 56.080 54.840 0.055 0.000 0.759 11 L CB -0.568 41.514 42.059 0.039 0.000 0.903 11 L HN 0.576 nan 8.230 nan 0.000 0.435 12 N N -1.761 116.984 118.700 0.075 0.000 2.223 12 N HA -0.254 4.485 4.740 -0.001 0.000 0.185 12 N C 1.828 177.395 175.510 0.096 0.000 1.016 12 N CA 1.308 54.401 53.050 0.072 0.000 0.863 12 N CB -0.213 38.315 38.487 0.068 0.000 0.983 12 N HN 0.421 nan 8.380 nan 0.000 0.429 13 Y N 1.614 121.926 120.300 0.020 0.000 2.177 13 Y HA 0.065 4.615 4.550 -0.001 0.000 0.291 13 Y C 2.382 178.304 175.900 0.037 0.000 1.117 13 Y CA 0.891 59.007 58.100 0.027 0.000 1.114 13 Y CB -0.471 38.002 38.460 0.021 0.000 1.017 13 Y HN -0.143 nan 8.280 nan 0.000 0.505 14 L N 0.039 121.371 121.223 0.182 0.000 2.043 14 L HA -0.269 4.070 4.340 -0.001 0.000 0.212 14 L C 2.481 179.369 176.870 0.031 0.000 1.075 14 L CA 1.452 56.347 54.840 0.092 0.000 0.752 14 L CB -0.878 41.219 42.059 0.063 0.000 0.891 14 L HN 0.374 nan 8.230 nan 0.000 0.432 15 A N -1.101 121.741 122.820 0.037 0.000 2.235 15 A HA -0.046 4.274 4.320 -0.001 0.000 0.208 15 A C 1.497 179.102 177.584 0.035 0.000 1.172 15 A CA 0.794 52.868 52.037 0.061 0.000 0.786 15 A CB -0.281 18.753 19.000 0.057 0.000 0.804 15 A HN 0.448 nan 8.150 nan 0.000 0.479 16 N N -0.532 118.147 118.700 -0.035 0.000 2.170 16 N HA 0.127 4.867 4.740 -0.001 0.000 0.222 16 N C -0.450 174.984 175.510 -0.127 0.000 1.218 16 N CA 0.088 53.097 53.050 -0.068 0.000 0.889 16 N CB 1.082 39.521 38.487 -0.081 0.000 1.083 16 N HN 0.138 nan 8.380 nan 0.000 0.520 17 V N 2.338 122.182 119.914 -0.118 0.000 2.521 17 V HA 0.128 4.248 4.120 -0.001 0.000 0.286 17 V C 0.491 176.643 176.094 0.096 0.000 1.034 17 V CA 0.315 62.585 62.300 -0.050 0.000 1.045 17 V CB 0.210 32.060 31.823 0.045 0.000 0.974 17 V HN 0.088 nan 8.190 nan 0.000 0.480 18 R N 5.857 126.320 120.500 -0.062 0.000 2.837 18 R HA 0.559 4.898 4.340 -0.001 0.000 0.271 18 R C -2.747 173.156 176.300 -0.661 0.000 0.993 18 R CA -1.834 54.026 56.100 -0.400 0.000 0.931 18 R CB 2.103 32.220 30.300 -0.305 0.000 1.206 18 R HN 0.428 nan 8.270 nan 0.000 0.474 19 P HA 0.038 nan 4.420 nan 0.000 0.277 19 P C -0.519 176.532 177.300 -0.414 0.000 1.240 19 P CA -0.363 62.093 63.100 -1.072 0.000 0.798 19 P CB 1.226 32.263 31.700 -1.106 0.000 0.979 20 S N 0.263 115.843 115.700 -0.200 0.000 2.608 20 S HA 0.040 4.510 4.470 -0.001 0.000 0.261 20 S C 1.691 176.245 174.600 -0.078 0.000 1.314 20 S CA 0.142 58.281 58.200 -0.102 0.000 0.992 20 S CB 0.168 63.345 63.200 -0.037 0.000 0.935 20 S HN 0.542 nan 8.310 nan 0.000 0.564 21 S N 1.186 116.859 115.700 -0.046 0.000 2.359 21 S HA -0.238 4.231 4.470 -0.001 0.000 0.224 21 S C 2.161 176.776 174.600 0.025 0.000 1.035 21 S CA 1.733 59.922 58.200 -0.018 0.000 1.018 21 S CB -0.811 62.385 63.200 -0.007 0.000 0.876 21 S HN 0.848 nan 8.310 nan 0.000 0.448 22 R N 0.406 120.927 120.500 0.035 0.000 2.096 22 R HA -0.029 4.310 4.340 -0.001 0.000 0.235 22 R C 2.303 178.683 176.300 0.134 0.000 1.127 22 R CA 1.673 57.818 56.100 0.075 0.000 0.968 22 R CB -0.626 29.703 30.300 0.047 0.000 0.861 22 R HN 0.478 nan 8.270 nan 0.000 0.440 23 Q N 0.402 120.270 119.800 0.112 0.000 2.230 23 Q HA -0.046 4.294 4.340 -0.001 0.000 0.202 23 Q C 1.942 178.125 176.000 0.305 0.000 0.963 23 Q CA 0.785 56.720 55.803 0.221 0.000 0.866 23 Q CB 0.020 28.880 28.738 0.203 0.000 0.931 23 Q HN 0.223 nan 8.270 nan 0.000 0.452 24 L N 0.509 121.814 121.223 0.137 0.000 2.044 24 L HA -0.029 4.310 4.340 -0.001 0.000 0.205 24 L C 2.182 179.128 176.870 0.126 0.000 1.075 24 L CA 1.810 56.712 54.840 0.103 0.000 0.747 24 L CB -0.880 41.180 42.059 0.002 0.000 0.903 24 L HN 0.109 nan 8.230 nan 0.000 0.435 25 A N -1.201 121.694 122.820 0.125 0.000 1.908 25 A HA -0.312 4.008 4.320 -0.001 0.000 0.218 25 A C 2.183 179.851 177.584 0.140 0.000 1.181 25 A CA 1.924 54.028 52.037 0.112 0.000 0.627 25 A CB -1.523 17.542 19.000 0.108 0.000 0.818 25 A HN 0.718 nan 8.150 nan 0.000 0.445 26 W N 0.496 121.814 121.300 0.031 0.000 2.355 26 W HA -0.239 4.420 4.660 -0.001 0.000 0.309 26 W C 2.213 178.735 176.519 0.005 0.000 1.206 26 W CA 2.152 59.520 57.345 0.038 0.000 1.284 26 W CB -0.361 29.150 29.460 0.085 0.000 1.145 26 W HN 0.399 nan 8.180 nan 0.000 0.502 27 Q N 0.900 120.675 119.800 -0.043 0.000 2.135 27 Q HA -0.120 4.220 4.340 -0.001 0.000 0.204 27 Q C 1.124 176.710 176.000 -0.690 0.000 0.981 27 Q CA 1.442 56.928 55.803 -0.528 0.000 0.856 27 Q CB -0.201 28.444 28.738 -0.155 0.000 0.902 27 Q HN 0.240 nan 8.270 nan 0.000 0.425 33 A N 1.119 124.108 122.820 0.280 0.000 2.311 33 A HA 0.801 5.120 4.320 -0.001 0.000 0.334 33 A C -1.918 175.824 177.584 0.263 0.000 1.139 33 A CA -0.547 51.617 52.037 0.212 0.000 0.830 33 A CB 0.959 20.058 19.000 0.164 0.000 1.234 33 A HN 0.602 nan 8.150 nan 0.000 0.483 34 F N 0.704 120.718 119.950 0.107 0.000 2.443 34 F HA 0.619 5.146 4.527 -0.001 0.000 0.335 34 F C -0.556 175.275 175.800 0.052 0.000 1.104 34 F CA -1.318 56.718 58.000 0.060 0.000 1.013 34 F CB 1.614 40.655 39.000 0.069 0.000 1.136 34 F HN 0.357 nan 8.300 nan 0.000 0.470 35 L N 5.953 127.416 121.223 0.399 0.000 2.318 35 L HA 0.305 4.644 4.340 -0.001 0.000 0.277 35 L C -1.115 175.756 176.870 0.001 0.000 1.008 35 L CA -0.674 54.244 54.840 0.130 0.000 0.846 35 L CB 1.005 43.128 42.059 0.107 0.000 1.220 35 L HN 0.513 nan 8.230 nan 0.000 0.423 36 H N 3.508 122.421 119.070 -0.262 0.000 2.640 36 H HA 0.485 5.041 4.556 -0.001 0.000 0.297 36 H C -1.147 174.057 175.328 -0.208 0.000 1.073 36 H CA 0.092 55.820 56.048 -0.533 0.000 1.305 36 H CB 0.778 29.798 29.762 -1.238 0.000 1.404 36 H HN 0.341 nan 8.280 nan 0.000 0.459 37 F N 2.234 122.181 119.950 -0.005 0.000 2.615 37 F HA 0.629 5.155 4.527 -0.001 0.000 0.312 37 F C -0.254 175.748 175.800 0.335 0.000 1.119 37 F CA 0.041 58.152 58.000 0.185 0.000 0.979 37 F CB 1.668 40.708 39.000 0.067 0.000 1.266 37 F HN 0.699 nan 8.300 nan 0.000 0.444 44 D N 1.206 121.601 120.400 -0.010 0.000 2.716 44 D HA -0.141 4.499 4.640 -0.001 0.000 0.239 44 D C -0.173 176.224 176.300 0.161 0.000 1.125 44 D CA 0.842 54.910 54.000 0.113 0.000 0.681 44 D CB -0.916 39.956 40.800 0.121 0.000 1.070 44 D HN 0.824 nan 8.370 nan 0.000 0.432 45 R N -0.269 120.280 120.500 0.082 0.000 2.854 45 R HA 0.434 4.773 4.340 -0.001 0.000 0.271 45 R C 0.982 177.254 176.300 -0.047 0.000 0.994 45 R CA -0.927 55.192 56.100 0.031 0.000 0.945 45 R CB 1.229 31.509 30.300 -0.033 0.000 1.194 45 R HN -0.122 nan 8.270 nan 0.000 0.476 46 E N 0.683 120.735 120.200 -0.247 0.000 2.216 46 E HA 0.062 4.411 4.350 -0.001 0.000 0.192 46 E C -0.300 175.932 176.600 -0.612 0.000 0.973 46 E CA 0.931 56.992 56.400 -0.564 0.000 0.851 46 E CB 0.521 29.416 29.700 -1.341 0.000 0.804 46 E HN 0.422 nan 8.360 nan 0.000 0.477 47 W N 1.330 122.655 121.300 0.041 0.000 2.538 47 W HA 0.540 5.199 4.660 -0.001 0.000 0.322 47 W C 0.372 176.861 176.519 -0.050 0.000 1.028 47 W CA -1.158 56.209 57.345 0.036 0.000 1.228 47 W CB 0.942 30.447 29.460 0.075 0.000 1.356 47 W HN -0.164 nan 8.180 nan 0.000 0.452 48 G N 1.639 110.488 108.800 0.081 0.000 2.504 48 G HA2 0.473 4.433 3.960 -0.001 0.000 0.288 48 G HA3 0.473 4.433 3.960 -0.001 0.000 0.288 48 G C 0.373 175.263 174.900 -0.018 0.000 1.182 48 G CA -0.582 44.509 45.100 -0.014 0.000 0.894 48 G HN 0.547 nan 8.290 nan 0.000 0.521 49 L N 0.684 121.893 121.223 -0.023 0.000 2.463 49 L HA 0.313 4.653 4.340 -0.001 0.000 0.219 49 L C 1.457 178.299 176.870 -0.046 0.000 1.088 49 L CA 0.780 55.609 54.840 -0.019 0.000 0.849 49 L CB -0.577 41.490 42.059 0.014 0.000 1.012 49 L HN 0.945 nan 8.230 nan 0.000 0.468 50 G N -0.585 108.172 108.800 -0.073 0.000 2.712 50 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.686 50 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.686 50 G C -0.089 174.765 174.900 -0.077 0.000 1.321 50 G CA -0.229 44.773 45.100 -0.163 0.000 0.813 50 G HN 0.548 nan 8.290 nan 0.000 0.599 51 H N -1.443 117.528 119.070 -0.165 0.000 3.080 51 H HA -0.154 4.402 4.556 -0.001 0.000 0.254 51 H C 0.891 176.220 175.328 0.002 0.000 1.179 51 H CA 1.414 57.372 56.048 -0.150 0.000 1.144 51 H CB -1.226 28.471 29.762 -0.108 0.000 1.261 51 H HN 0.879 nan 8.280 nan 0.000 0.333 52 E N 1.353 121.642 120.200 0.148 0.000 2.437 52 E HA 0.071 4.421 4.350 -0.001 0.000 0.263 52 E C 0.415 177.096 176.600 0.135 0.000 1.030 52 E CA -0.002 56.459 56.400 0.101 0.000 0.934 52 E CB 0.401 30.103 29.700 0.004 0.000 0.943 52 E HN 0.216 nan 8.360 nan 0.000 0.444 53 D N 3.198 123.629 120.400 0.051 0.000 2.412 53 D HA 0.006 4.645 4.640 -0.001 0.000 0.257 53 D C -1.796 174.494 176.300 -0.016 0.000 1.217 53 D CA -1.825 52.202 54.000 0.044 0.000 0.897 53 D CB 0.912 41.725 40.800 0.021 0.000 1.132 53 D HN 0.123 nan 8.370 nan 0.000 0.493 54 P HA -0.052 nan 4.420 nan 0.000 0.225 54 P C 0.812 178.124 177.300 0.019 0.000 1.148 54 P CA 0.795 63.880 63.100 -0.025 0.000 0.779 54 P CB 0.159 31.950 31.700 0.151 0.000 0.780 55 A N -0.482 122.358 122.820 0.035 0.000 2.070 55 A HA -0.114 4.205 4.320 -0.001 0.000 0.220 55 A C 1.999 179.591 177.584 0.013 0.000 1.159 55 A CA 1.012 53.076 52.037 0.045 0.000 0.656 55 A CB -1.466 17.557 19.000 0.038 0.000 0.800 55 A HN 0.177 nan 8.150 nan 0.000 0.453 56 L N -2.067 119.135 121.223 -0.036 0.000 2.376 56 L HA 0.022 4.362 4.340 -0.001 0.000 0.219 56 L C 0.737 177.561 176.870 -0.077 0.000 1.133 56 L CA 0.127 54.927 54.840 -0.067 0.000 0.816 56 L CB -0.215 41.784 42.059 -0.100 0.000 0.933 56 L HN 0.450 nan 8.230 nan 0.000 0.449 57 F N 1.380 121.191 119.950 -0.231 0.000 2.406 57 F HA 0.233 4.759 4.527 -0.001 0.000 0.358 57 F C 0.525 176.308 175.800 -0.029 0.000 1.161 57 F CA -0.441 57.424 58.000 -0.225 0.000 1.185 57 F CB -0.070 38.717 39.000 -0.355 0.000 1.421 57 F HN -0.102 nan 8.300 nan 0.000 0.576 58 N N 5.386 123.879 118.700 -0.345 0.000 2.628 58 N HA 0.275 5.015 4.740 -0.001 0.000 0.299 58 N C -2.960 172.449 175.510 -0.168 0.000 1.834 58 N CA -1.595 51.369 53.050 -0.142 0.000 0.871 58 N CB 0.387 38.866 38.487 -0.013 0.000 1.377 58 N HN 0.111 nan 8.380 nan 0.000 0.493 59 P HA 0.111 nan 4.420 nan 0.000 0.264 59 P C 0.780 178.101 177.300 0.034 0.000 1.193 59 P CA -0.033 62.962 63.100 -0.176 0.000 0.763 59 P CB 0.796 32.368 31.700 -0.213 0.000 0.810 60 R N 2.291 122.814 120.500 0.038 0.000 2.115 60 R HA -0.042 4.297 4.340 -0.001 0.000 0.226 60 R C 0.466 176.823 176.300 0.095 0.000 1.100 60 R CA 1.033 57.173 56.100 0.068 0.000 0.980 60 R CB -0.276 30.043 30.300 0.033 0.000 0.875 60 R HN 0.263 nan 8.270 nan 0.000 0.445 61 N N 0.520 119.276 118.700 0.093 0.000 2.646 61 N HA 0.119 4.859 4.740 -0.001 0.000 0.296 61 N C -1.563 174.003 175.510 0.093 0.000 1.886 61 N CA -0.383 52.717 53.050 0.084 0.000 0.855 61 N CB 1.289 39.804 38.487 0.047 0.000 1.336 61 N HN -0.011 nan 8.380 nan 0.000 0.496 62 V N 1.117 121.125 119.914 0.156 0.000 2.557 62 V HA 0.081 4.201 4.120 -0.001 0.000 0.301 62 V C 0.212 176.279 176.094 -0.046 0.000 1.026 62 V CA 0.404 62.758 62.300 0.091 0.000 1.137 62 V CB 0.725 32.688 31.823 0.232 0.000 0.917 62 V HN 0.379 nan 8.190 nan 0.000 0.484 63 D N 3.866 124.127 120.400 -0.233 0.000 2.364 63 D HA 0.205 4.845 4.640 -0.001 0.000 0.251 63 D C 0.595 176.483 176.300 -0.687 0.000 1.282 63 D CA -0.248 53.578 54.000 -0.289 0.000 0.927 63 D CB 1.571 42.304 40.800 -0.112 0.000 1.267 63 D HN 0.292 nan 8.370 nan 0.000 0.531 64 V N 0.673 120.077 119.914 -0.849 0.000 2.626 64 V HA -0.085 4.034 4.120 -0.001 0.000 0.252 64 V C 1.460 177.235 176.094 -0.532 0.000 1.067 64 V CA 1.308 62.925 62.300 -1.138 0.000 1.081 64 V CB -0.223 31.113 31.823 -0.811 0.000 0.686 64 V HN 0.214 nan 8.190 nan 0.000 0.468 65 D N 0.203 120.428 120.400 -0.290 0.000 2.149 65 D HA -0.197 4.443 4.640 -0.001 0.000 0.198 65 D C 2.203 178.445 176.300 -0.096 0.000 0.990 65 D CA 1.820 55.748 54.000 -0.121 0.000 0.839 65 D CB -0.326 40.489 40.800 0.026 0.000 0.948 65 D HN 0.614 nan 8.370 nan 0.000 0.460 66 Q N -0.241 119.513 119.800 -0.076 0.000 2.124 66 Q HA -0.127 4.213 4.340 -0.001 0.000 0.202 66 Q C 0.394 176.488 176.000 0.158 0.000 0.977 66 Q CA 0.736 56.567 55.803 0.046 0.000 0.850 66 Q CB 0.010 28.799 28.738 0.084 0.000 0.901 66 Q HN 0.190 nan 8.270 nan 0.000 0.429 70 A N 1.329 124.173 122.820 0.040 0.000 1.930 70 A HA 0.000 4.320 4.320 -0.001 0.000 0.217 70 A C 2.210 179.812 177.584 0.030 0.000 1.175 70 A CA 1.098 53.156 52.037 0.035 0.000 0.627 70 A CB -0.651 18.372 19.000 0.039 0.000 0.815 70 A HN 0.237 nan 8.150 nan 0.000 0.443 71 L N -0.608 120.638 121.223 0.038 0.000 2.056 71 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 71 L C 2.513 179.409 176.870 0.044 0.000 1.078 71 L CA 1.004 55.872 54.840 0.045 0.000 0.749 71 L CB -0.709 41.390 42.059 0.067 0.000 0.901 71 L HN 0.229 nan 8.230 nan 0.000 0.433 72 V N 0.448 120.393 119.914 0.052 0.000 2.295 72 V HA -0.301 3.818 4.120 -0.001 0.000 0.246 72 V C 2.797 178.913 176.094 0.038 0.000 1.049 72 V CA 1.861 64.200 62.300 0.064 0.000 1.024 72 V CB -0.935 30.955 31.823 0.111 0.000 0.648 72 V HN 0.491 nan 8.190 nan 0.000 0.447 73 A N 0.346 123.184 122.820 0.030 0.000 2.024 73 A HA -0.088 4.231 4.320 -0.001 0.000 0.220 73 A C 2.225 179.799 177.584 -0.016 0.000 1.164 73 A CA 1.801 53.841 52.037 0.006 0.000 0.643 73 A CB -0.843 18.160 19.000 0.006 0.000 0.806 73 A HN 0.582 nan 8.150 nan 0.000 0.451 74 G N -1.744 107.051 108.800 -0.009 0.000 2.985 74 G HA2 0.447 4.407 3.960 -0.001 0.000 0.209 74 G HA3 0.447 4.407 3.960 -0.001 0.000 0.209 74 G C 0.938 175.818 174.900 -0.033 0.000 1.165 74 G CA 0.583 45.667 45.100 -0.027 0.000 0.776 74 G HN 1.617 nan 8.290 nan 0.000 0.541 78 G N -1.376 107.395 108.800 -0.048 0.000 2.495 78 G HA2 0.616 4.576 3.960 -0.001 0.000 0.294 78 G HA3 0.616 4.576 3.960 -0.001 0.000 0.294 78 G C -1.788 173.204 174.900 0.153 0.000 1.397 78 G CA 0.187 45.231 45.100 -0.094 0.000 0.790 78 G HN 1.451 nan 8.290 nan 0.000 0.486 79 V N 0.033 120.121 119.914 0.290 0.000 2.808 79 V HA 0.724 4.844 4.120 -0.001 0.000 0.308 79 V C -1.129 175.121 176.094 0.259 0.000 1.099 79 V CA -0.897 61.589 62.300 0.311 0.000 0.920 79 V CB 1.619 33.617 31.823 0.291 0.000 1.014 79 V HN 0.699 nan 8.190 nan 0.000 0.425 80 I N 6.771 127.398 120.570 0.094 0.000 2.339 80 I HA 0.413 4.583 4.170 -0.001 0.000 0.290 80 I C -0.686 175.418 176.117 -0.022 0.000 0.994 80 I CA -0.684 60.495 61.300 -0.202 0.000 1.191 80 I CB 1.681 39.323 38.000 -0.598 0.000 1.343 80 I HN 0.469 nan 8.210 nan 0.000 0.458 81 L N 6.866 128.064 121.223 -0.041 0.000 2.289 81 L HA 0.384 4.723 4.340 -0.001 0.000 0.285 81 L C 0.630 177.616 176.870 0.192 0.000 1.049 81 L CA 0.067 55.008 54.840 0.169 0.000 0.804 81 L CB 1.527 43.767 42.059 0.302 0.000 1.195 81 L HN 0.681 nan 8.230 nan 0.000 0.428 82 T N 1.174 115.858 114.554 0.216 0.000 2.848 82 T HA 0.100 4.450 4.350 -0.001 0.000 0.283 82 T C 1.301 176.141 174.700 0.234 0.000 0.919 82 T CA -0.476 61.783 62.100 0.265 0.000 1.071 82 T CB -0.486 68.429 68.868 0.079 0.000 0.912 82 T HN 0.763 nan 8.240 nan 0.000 0.570 83 C N 2.773 122.176 119.300 0.172 0.000 2.464 83 C HA 0.274 4.733 4.460 -0.001 0.000 0.278 83 C C 1.203 176.371 174.990 0.298 0.000 1.375 83 C CA 0.152 59.278 59.018 0.180 0.000 1.761 83 C CB -0.900 26.802 27.740 -0.065 0.000 1.944 83 C HN 0.902 nan 8.230 nan 0.000 0.509 84 K N -0.017 120.508 120.400 0.208 0.000 2.588 84 K HA 0.246 4.565 4.320 -0.001 0.000 0.250 84 K C -0.941 175.761 176.600 0.171 0.000 0.972 84 K CA -0.437 55.968 56.287 0.197 0.000 0.821 84 K CB 0.833 33.463 32.500 0.217 0.000 1.249 84 K HN 0.379 nan 8.250 nan 0.000 0.442 85 H N 1.841 121.006 119.070 0.158 0.000 2.523 85 H HA 0.193 4.748 4.556 -0.001 0.000 0.317 85 H C 0.733 176.152 175.328 0.153 0.000 1.511 85 H CA 0.235 56.394 56.048 0.186 0.000 1.499 85 H CB 0.924 30.846 29.762 0.266 0.000 1.742 85 H HN 0.781 nan 8.280 nan 0.000 0.750 86 H N -0.577 118.447 119.070 -0.078 0.000 2.422 86 H HA -0.149 4.406 4.556 -0.001 0.000 0.298 86 H C 1.706 176.874 175.328 -0.267 0.000 1.098 86 H CA 1.117 57.045 56.048 -0.199 0.000 1.315 86 H CB 0.321 29.891 29.762 -0.320 0.000 1.382 86 H HN 0.613 nan 8.280 nan 0.000 0.523 87 D N -0.230 120.187 120.400 0.029 0.000 2.219 87 D HA -0.096 4.544 4.640 -0.001 0.000 0.205 87 D C 1.743 178.045 176.300 0.004 0.000 0.970 87 D CA 1.250 55.224 54.000 -0.043 0.000 0.851 87 D CB -0.086 40.719 40.800 0.008 0.000 0.943 87 D HN 0.539 nan 8.370 nan 0.000 0.488 88 G N 0.464 109.325 108.800 0.102 0.000 2.179 88 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.220 88 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.220 88 G C -0.072 175.001 174.900 0.288 0.000 0.990 88 G CA -0.015 45.182 45.100 0.163 0.000 0.646 88 G HN 0.400 nan 8.290 nan 0.000 0.517 89 F N 2.774 122.763 119.950 0.066 0.000 2.472 89 F HA 0.560 5.087 4.527 -0.001 0.000 0.364 89 F C 0.853 176.534 175.800 -0.198 0.000 1.090 89 F CA -0.742 57.124 58.000 -0.225 0.000 1.188 89 F CB 0.411 39.176 39.000 -0.392 0.000 1.105 89 F HN 0.201 nan 8.300 nan 0.000 0.536 90 C N 7.779 126.504 119.300 -0.959 0.000 2.330 90 C HA 0.289 4.749 4.460 -0.001 0.000 0.344 90 C C 1.561 176.061 174.990 -0.818 0.000 1.273 90 C CA -0.875 57.689 59.018 -0.756 0.000 1.879 90 C CB 0.440 27.516 27.740 -1.107 0.000 2.376 90 C HN 0.894 nan 8.230 nan 0.000 0.534 91 L N 1.746 122.838 121.223 -0.218 0.000 2.599 91 L HA 0.118 4.458 4.340 -0.001 0.000 0.230 91 L C 0.302 177.270 176.870 0.162 0.000 1.141 91 L CA 0.360 55.154 54.840 -0.077 0.000 0.877 91 L CB -0.408 41.726 42.059 0.126 0.000 1.009 91 L HN 0.853 nan 8.230 nan 0.000 0.447 92 W N -1.000 120.218 121.300 -0.136 0.000 2.962 92 W HA 0.488 5.147 4.660 -0.001 0.000 0.341 92 W C -2.689 173.807 176.519 -0.037 0.000 1.155 92 W CA -2.321 55.011 57.345 -0.023 0.000 1.165 92 W CB 0.642 30.106 29.460 0.006 0.000 1.435 92 W HN -0.340 nan 8.180 nan 0.000 0.546 93 P HA 0.030 nan 4.420 nan 0.000 0.231 93 P C 0.123 177.255 177.300 -0.281 0.000 1.811 93 P CA 0.284 63.271 63.100 -0.189 0.000 1.051 93 P CB 0.525 32.227 31.700 0.003 0.000 1.951 94 S N 2.280 117.533 115.700 -0.745 0.000 2.558 94 S HA 0.038 4.507 4.470 -0.001 0.000 0.288 94 S C 1.371 175.867 174.600 -0.173 0.000 1.318 94 S CA -0.193 57.715 58.200 -0.487 0.000 1.056 94 S CB 0.363 63.121 63.200 -0.737 0.000 0.853 94 S HN 0.256 nan 8.310 nan 0.000 0.505 95 R N 3.239 123.718 120.500 -0.034 0.000 2.313 95 R HA 0.215 4.554 4.340 -0.001 0.000 0.199 95 R C 1.117 177.419 176.300 0.003 0.000 0.958 95 R CA 0.499 56.595 56.100 -0.007 0.000 1.047 95 R CB -0.107 30.206 30.300 0.021 0.000 0.955 95 R HN 0.589 nan 8.270 nan 0.000 0.481 96 L N -0.649 120.568 121.223 -0.011 0.000 2.640 96 L HA 0.182 4.522 4.340 -0.001 0.000 0.230 96 L C 0.558 177.554 176.870 0.209 0.000 1.123 96 L CA 0.135 55.019 54.840 0.074 0.000 0.900 96 L CB 0.677 42.710 42.059 -0.044 0.000 1.146 96 L HN 0.022 nan 8.230 nan 0.000 0.484 97 T N -1.351 113.263 114.554 0.100 0.000 2.830 97 T HA 0.291 4.641 4.350 -0.001 0.000 0.322 97 T C -0.108 174.602 174.700 0.018 0.000 1.501 97 T CA -0.582 61.588 62.100 0.116 0.000 1.036 97 T CB 1.504 70.498 68.868 0.210 0.000 1.379 97 T HN 0.041 nan 8.240 nan 0.000 0.493 98 R N 0.762 121.291 120.500 0.048 0.000 2.359 98 R HA 0.150 4.490 4.340 -0.001 0.000 0.231 98 R C 0.677 177.020 176.300 0.072 0.000 0.913 98 R CA -0.193 55.929 56.100 0.036 0.000 1.075 98 R CB 0.001 30.336 30.300 0.058 0.000 1.087 98 R HN 0.546 nan 8.270 nan 0.000 0.515 99 H N 1.776 120.819 119.070 -0.045 0.000 2.799 99 H HA 0.072 4.628 4.556 -0.001 0.000 0.225 99 H C -0.424 174.763 175.328 -0.236 0.000 1.904 99 H CA 0.348 56.387 56.048 -0.014 0.000 1.344 99 H CB -0.008 29.762 29.762 0.012 0.000 1.744 99 H HN 0.124 nan 8.280 nan 0.000 0.542 100 T N -2.280 112.026 114.554 -0.414 0.000 2.754 100 T HA 0.099 4.449 4.350 -0.001 0.000 0.296 100 T C 1.502 175.880 174.700 -0.536 0.000 1.205 100 T CA -0.192 61.408 62.100 -0.833 0.000 1.009 100 T CB 0.827 69.343 68.868 -0.586 0.000 1.368 100 T HN 0.014 nan 8.240 nan 0.000 0.509 101 V N -0.546 119.066 119.914 -0.503 0.000 2.688 101 V HA 0.102 4.221 4.120 -0.001 0.000 0.256 101 V C 2.854 179.051 176.094 0.170 0.000 1.084 101 V CA 1.840 64.172 62.300 0.054 0.000 1.103 101 V CB -2.045 29.915 31.823 0.227 0.000 0.688 101 V HN 1.060 nan 8.190 nan 0.000 0.480 102 A N 0.239 123.076 122.820 0.029 0.000 2.067 102 A HA -0.063 4.257 4.320 -0.001 0.000 0.219 102 A C 2.291 179.926 177.584 0.085 0.000 1.158 102 A CA 1.869 53.939 52.037 0.055 0.000 0.661 102 A CB -0.573 18.424 19.000 -0.004 0.000 0.801 102 A HN 0.580 nan 8.150 nan 0.000 0.452 103 S N -0.256 115.504 115.700 0.101 0.000 2.556 103 S HA 0.139 4.608 4.470 -0.001 0.000 0.216 103 S C 0.859 175.565 174.600 0.177 0.000 0.970 103 S CA 0.328 58.604 58.200 0.126 0.000 0.912 103 S CB -0.163 63.111 63.200 0.124 0.000 0.790 103 S HN 0.754 nan 8.310 nan 0.000 0.504 104 S N 1.311 117.161 115.700 0.250 0.000 2.718 104 S HA 0.512 4.982 4.470 -0.001 0.000 0.300 104 S C -2.591 172.166 174.600 0.261 0.000 1.117 104 S CA -1.355 57.022 58.200 0.294 0.000 1.002 104 S CB 1.202 64.701 63.200 0.498 0.000 1.092 104 S HN -0.102 nan 8.310 nan 0.000 0.542 105 P HA 0.126 nan 4.420 nan 0.000 0.241 105 P C -0.253 177.184 177.300 0.229 0.000 1.191 105 P CA -0.095 63.111 63.100 0.176 0.000 0.771 105 P CB -0.132 31.643 31.700 0.125 0.000 0.929 106 W N 3.074 124.454 121.300 0.134 0.000 2.322 106 W HA 0.049 4.709 4.660 -0.001 0.000 0.328 106 W C 0.682 177.271 176.519 0.117 0.000 1.395 106 W CA 0.256 57.675 57.345 0.123 0.000 1.267 106 W CB 0.026 29.626 29.460 0.233 0.000 1.259 106 W HN -0.002 nan 8.180 nan 0.000 0.560 107 R N 4.950 125.202 120.500 -0.414 0.000 3.516 107 R HA -0.302 4.037 4.340 -0.001 0.000 0.271 107 R C 0.257 176.442 176.300 -0.193 0.000 1.098 107 R CA 1.262 57.087 56.100 -0.457 0.000 0.732 107 R CB -2.054 27.747 30.300 -0.832 0.000 1.152 107 R HN 0.884 nan 8.270 nan 0.000 0.455 108 E N -2.034 118.124 120.200 -0.069 0.000 2.722 108 E HA -0.296 4.054 4.350 -0.001 0.000 0.265 108 E C 0.866 177.473 176.600 0.011 0.000 1.081 108 E CA 1.084 57.474 56.400 -0.015 0.000 0.781 108 E CB -1.415 28.265 29.700 -0.034 0.000 1.372 108 E HN 0.885 nan 8.360 nan 0.000 0.423 109 G N 0.098 108.928 108.800 0.050 0.000 2.179 109 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.260 109 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.260 109 G C 0.565 175.495 174.900 0.050 0.000 0.977 109 G CA 0.734 45.886 45.100 0.087 0.000 0.641 109 G HN 0.326 nan 8.290 nan 0.000 0.533 110 K N 0.472 120.862 120.400 -0.016 0.000 2.455 110 K HA 0.390 4.710 4.320 -0.001 0.000 0.206 110 K C 1.349 177.910 176.600 -0.066 0.000 1.027 110 K CA 0.153 56.422 56.287 -0.030 0.000 1.113 110 K CB 1.098 33.569 32.500 -0.049 0.000 0.850 110 K HN 0.367 nan 8.250 nan 0.000 0.503 111 G N 0.992 109.736 108.800 -0.094 0.000 2.507 111 G HA2 0.124 4.084 3.960 -0.001 0.000 0.271 111 G HA3 0.124 4.084 3.960 -0.001 0.000 0.271 111 G C -0.958 174.058 174.900 0.192 0.000 1.189 111 G CA -0.060 44.921 45.100 -0.197 0.000 0.859 111 G HN 0.076 nan 8.290 nan 0.000 0.542 112 D N 1.136 121.703 120.400 0.278 0.000 2.323 112 D HA 0.081 4.721 4.640 -0.001 0.000 0.242 112 D C 0.814 177.364 176.300 0.417 0.000 1.347 112 D CA -0.675 53.548 54.000 0.371 0.000 0.988 112 D CB 1.483 42.458 40.800 0.292 0.000 1.314 112 D HN 0.115 nan 8.370 nan 0.000 0.564 113 L N 3.957 125.486 121.223 0.510 0.000 2.141 113 L HA -0.017 4.322 4.340 -0.001 0.000 0.209 113 L C 1.752 178.731 176.870 0.181 0.000 1.094 113 L CA 1.458 56.533 54.840 0.393 0.000 0.763 113 L CB -0.064 42.176 42.059 0.302 0.000 0.908 113 L HN 0.366 nan 8.230 nan 0.000 0.437 114 V N -0.224 119.745 119.914 0.092 0.000 2.295 114 V HA -0.300 3.820 4.120 -0.001 0.000 0.246 114 V C 2.749 178.653 176.094 -0.317 0.000 1.049 114 V CA 2.022 64.207 62.300 -0.191 0.000 1.024 114 V CB -0.740 30.737 31.823 -0.576 0.000 0.648 114 V HN 0.498 nan 8.190 nan 0.000 0.447 115 R N 0.533 120.992 120.500 -0.068 0.000 2.083 115 R HA -0.189 4.151 4.340 -0.001 0.000 0.237 115 R C 2.207 178.505 176.300 -0.004 0.000 1.137 115 R CA 2.031 58.202 56.100 0.117 0.000 0.951 115 R CB -0.429 30.029 30.300 0.263 0.000 0.851 115 R HN 0.629 nan 8.270 nan 0.000 0.434 116 E N -0.635 119.582 120.200 0.029 0.000 2.051 116 E HA -0.169 4.181 4.350 -0.001 0.000 0.192 116 E C 1.960 178.504 176.600 -0.092 0.000 0.991 116 E CA 1.680 58.074 56.400 -0.011 0.000 0.799 116 E CB -0.025 29.702 29.700 0.045 0.000 0.748 116 E HN 0.184 nan 8.360 nan 0.000 0.449 117 V N 1.511 121.361 119.914 -0.106 0.000 2.358 117 V HA -0.244 3.875 4.120 -0.001 0.000 0.246 117 V C 2.575 178.515 176.094 -0.256 0.000 1.047 117 V CA 1.947 64.187 62.300 -0.099 0.000 1.035 117 V CB -0.546 31.340 31.823 0.105 0.000 0.658 117 V HN 0.343 nan 8.190 nan 0.000 0.452 118 S N 0.185 115.513 115.700 -0.622 0.000 2.368 118 S HA -0.230 4.239 4.470 -0.001 0.000 0.224 118 S C 1.807 176.233 174.600 -0.290 0.000 1.029 118 S CA 1.580 59.258 58.200 -0.870 0.000 0.988 118 S CB -0.515 61.985 63.200 -1.167 0.000 0.838 118 S HN 0.706 nan 8.310 nan 0.000 0.462 119 E N 1.135 121.237 120.200 -0.164 0.000 2.077 119 E HA -0.100 4.250 4.350 -0.001 0.000 0.193 119 E C 2.291 178.886 176.600 -0.008 0.000 0.989 119 E CA 1.177 57.543 56.400 -0.056 0.000 0.800 119 E CB -0.312 29.370 29.700 -0.030 0.000 0.746 119 E HN 0.602 nan 8.360 nan 0.000 0.452 120 S N 0.412 116.106 115.700 -0.010 0.000 2.383 120 S HA -0.128 4.342 4.470 -0.001 0.000 0.227 120 S C 2.109 176.812 174.600 0.172 0.000 1.026 120 S CA 1.044 59.293 58.200 0.082 0.000 0.981 120 S CB -0.122 63.072 63.200 -0.011 0.000 0.818 120 S HN 0.326 nan 8.310 nan 0.000 0.472 121 A N 2.348 125.215 122.820 0.077 0.000 1.883 121 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 121 A C 2.237 179.912 177.584 0.151 0.000 1.186 121 A CA 1.833 53.950 52.037 0.132 0.000 0.624 121 A CB -0.908 18.198 19.000 0.177 0.000 0.822 121 A HN 0.640 nan 8.150 nan 0.000 0.444 122 R N -0.423 120.136 120.500 0.099 0.000 2.083 122 R HA -0.147 4.193 4.340 -0.001 0.000 0.237 122 R C 2.333 178.675 176.300 0.070 0.000 1.137 122 R CA 1.655 57.802 56.100 0.080 0.000 0.951 122 R CB -0.330 29.998 30.300 0.047 0.000 0.851 122 R HN 0.525 nan 8.270 nan 0.000 0.434 123 R N -0.870 119.673 120.500 0.072 0.000 2.127 123 R HA -0.142 4.197 4.340 -0.001 0.000 0.238 123 R C 1.469 177.728 176.300 -0.069 0.000 1.134 123 R CA 1.648 57.745 56.100 -0.004 0.000 0.975 123 R CB -0.246 30.038 30.300 -0.026 0.000 0.865 123 R HN 0.473 nan 8.270 nan 0.000 0.447 124 H N -1.537 117.544 119.070 0.018 0.000 2.539 124 H HA 0.194 4.750 4.556 -0.001 0.000 0.269 124 H C 0.941 176.286 175.328 0.028 0.000 0.980 124 H CA 0.611 56.674 56.048 0.024 0.000 1.152 124 H CB 0.876 30.659 29.762 0.035 0.000 1.407 124 H HN 0.420 nan 8.280 nan 0.000 0.564 125 G N 0.600 109.469 108.800 0.114 0.000 2.160 125 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.244 125 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.244 125 G C -0.195 174.752 174.900 0.079 0.000 1.022 125 G CA 0.046 45.191 45.100 0.075 0.000 0.741 125 G HN 0.280 nan 8.290 nan 0.000 0.508 126 L N -0.291 120.997 121.223 0.108 0.000 2.325 126 L HA 0.538 4.878 4.340 -0.001 0.000 0.278 126 L C 0.878 177.807 176.870 0.098 0.000 1.023 126 L CA -1.063 53.830 54.840 0.088 0.000 0.811 126 L CB 1.435 43.567 42.059 0.120 0.000 1.249 126 L HN 0.009 nan 8.230 nan 0.000 0.431 127 K N 1.454 121.865 120.400 0.018 0.000 2.168 127 K HA 0.339 4.658 4.320 -0.001 0.000 0.258 127 K C -1.014 175.778 176.600 0.319 0.000 1.010 127 K CA -0.229 56.105 56.287 0.078 0.000 0.929 127 K CB 0.848 33.224 32.500 -0.206 0.000 0.998 127 K HN 0.258 nan 8.250 nan 0.000 0.479 128 F N 0.276 120.426 119.950 0.333 0.000 2.507 128 F HA 0.554 5.081 4.527 -0.001 0.000 0.325 128 F C -0.166 175.821 175.800 0.312 0.000 1.116 128 F CA -0.400 57.785 58.000 0.309 0.000 0.930 128 F CB 1.596 40.692 39.000 0.161 0.000 1.146 128 F HN 0.534 nan 8.300 nan 0.000 0.447 129 G N 3.420 111.839 108.800 -0.634 0.000 2.658 129 G HA2 0.662 4.621 3.960 -0.001 0.000 0.292 129 G HA3 0.662 4.621 3.960 -0.001 0.000 0.292 129 G C -1.861 172.463 174.900 -0.961 0.000 1.320 129 G CA -0.632 43.925 45.100 -0.904 0.000 0.933 129 G HN 1.108 nan 8.290 nan 0.000 0.476 130 V N -2.176 117.380 119.914 -0.597 0.000 2.876 130 V HA 0.804 4.923 4.120 -0.001 0.000 0.312 130 V C -1.540 174.515 176.094 -0.066 0.000 1.085 130 V CA -1.303 60.774 62.300 -0.371 0.000 0.945 130 V CB 1.666 33.292 31.823 -0.328 0.000 1.017 130 V HN 0.901 nan 8.190 nan 0.000 0.428 131 Y N 4.628 124.891 120.300 -0.061 0.000 2.326 131 Y HA 0.809 5.359 4.550 -0.001 0.000 0.331 131 Y C -1.233 174.737 175.900 0.117 0.000 0.962 131 Y CA -1.538 56.643 58.100 0.134 0.000 1.167 131 Y CB 1.892 40.532 38.460 0.299 0.000 1.148 131 Y HN 0.877 nan 8.280 nan 0.000 0.463 132 L N 6.321 127.319 121.223 -0.375 0.000 2.318 132 L HA 0.487 4.826 4.340 -0.001 0.000 0.277 132 L C -0.362 176.285 176.870 -0.373 0.000 1.008 132 L CA -0.237 54.386 54.840 -0.363 0.000 0.846 132 L CB 1.371 43.245 42.059 -0.309 0.000 1.220 132 L HN 0.677 nan 8.230 nan 0.000 0.423 133 S N 6.381 121.786 115.700 -0.492 0.000 2.515 133 S HA 0.221 4.691 4.470 -0.001 0.000 0.285 133 S C -1.582 173.171 174.600 0.254 0.000 1.265 133 S CA -0.674 57.430 58.200 -0.160 0.000 1.079 133 S CB 0.677 63.916 63.200 0.065 0.000 0.877 133 S HN 0.622 nan 8.310 nan 0.000 0.493 134 P HA -0.052 nan 4.420 nan 0.000 0.215 134 P C 0.065 177.537 177.300 0.288 0.000 1.153 134 P CA 0.538 63.515 63.100 -0.205 0.000 0.853 134 P CB -0.024 31.042 31.700 -1.058 0.000 0.788 135 W N 2.029 123.391 121.300 0.104 0.000 2.251 135 W HA 0.199 4.859 4.660 -0.001 0.000 0.327 135 W C -0.274 176.159 176.519 -0.144 0.000 1.361 135 W CA 0.131 57.464 57.345 -0.020 0.000 1.234 135 W CB -0.545 28.793 29.460 -0.204 0.000 1.212 135 W HN -0.082 nan 8.180 nan 0.000 0.557 136 D N 5.286 125.450 120.400 -0.392 0.000 2.575 136 D HA 0.223 4.863 4.640 -0.001 0.000 0.250 136 D C 0.498 176.410 176.300 -0.647 0.000 1.279 136 D CA -0.426 53.355 54.000 -0.365 0.000 0.925 136 D CB 1.084 41.894 40.800 0.016 0.000 1.261 136 D HN 0.480 nan 8.370 nan 0.000 0.567 137 R N 1.265 121.441 120.500 -0.541 0.000 2.310 137 R HA 0.113 4.452 4.340 -0.001 0.000 0.202 137 R C 1.114 177.161 176.300 -0.422 0.000 0.933 137 R CA 0.578 56.400 56.100 -0.464 0.000 1.054 137 R CB 0.631 30.661 30.300 -0.450 0.000 0.985 137 R HN 0.289 nan 8.270 nan 0.000 0.489 138 T N -0.457 113.819 114.554 -0.463 0.000 3.085 138 T HA -0.028 4.321 4.350 -0.001 0.000 0.241 138 T C 0.216 174.660 174.700 -0.425 0.000 0.988 138 T CA -0.143 61.513 62.100 -0.741 0.000 1.117 138 T CB 0.191 68.579 68.868 -0.800 0.000 0.978 138 T HN 0.069 nan 8.240 nan 0.000 0.454 139 E N 2.854 122.894 120.200 -0.267 0.000 2.480 139 E HA -0.052 4.297 4.350 -0.001 0.000 0.258 139 E C 1.141 177.660 176.600 -0.135 0.000 0.984 139 E CA 0.144 56.396 56.400 -0.246 0.000 0.930 139 E CB 0.508 29.977 29.700 -0.385 0.000 0.936 139 E HN 0.411 nan 8.360 nan 0.000 0.466 140 E N 2.842 122.977 120.200 -0.110 0.000 2.130 140 E HA -0.252 4.098 4.350 -0.001 0.000 0.196 140 E C 1.153 177.753 176.600 -0.000 0.000 0.998 140 E CA 1.550 57.935 56.400 -0.025 0.000 0.806 140 E CB -0.052 29.638 29.700 -0.016 0.000 0.738 140 E HN 0.659 nan 8.360 nan 0.000 0.459 141 S N -0.750 114.942 115.700 -0.015 0.000 2.515 141 S HA -0.131 4.338 4.470 -0.001 0.000 0.231 141 S C 0.645 175.310 174.600 0.108 0.000 0.987 141 S CA -0.245 57.995 58.200 0.067 0.000 0.936 141 S CB -0.434 62.829 63.200 0.105 0.000 0.766 141 S HN 0.353 nan 8.310 nan 0.000 0.528 142 Y N 2.728 122.980 120.300 -0.080 0.000 2.632 142 Y HA 0.391 4.941 4.550 -0.001 0.000 0.329 142 Y C 1.457 177.260 175.900 -0.162 0.000 1.174 142 Y CA 1.029 58.956 58.100 -0.289 0.000 1.469 142 Y CB 0.016 38.239 38.460 -0.396 0.000 1.242 142 Y HN 0.337 nan 8.280 nan 0.000 0.540 143 G N 4.212 112.629 108.800 -0.637 0.000 2.254 143 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.225 143 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.225 143 G C 1.151 175.922 174.900 -0.215 0.000 1.003 143 G CA 0.318 45.183 45.100 -0.391 0.000 0.622 143 G HN 0.611 nan 8.290 nan 0.000 0.507 144 K N 0.912 121.236 120.400 -0.127 0.000 2.432 144 K HA 0.387 4.706 4.320 -0.001 0.000 0.196 144 K C 1.897 178.476 176.600 -0.036 0.000 1.038 144 K CA 0.949 57.207 56.287 -0.049 0.000 0.986 144 K CB 0.138 32.640 32.500 0.003 0.000 0.782 144 K HN 1.311 nan 8.250 nan 0.000 0.485 145 G N 1.830 110.596 108.800 -0.058 0.000 2.848 145 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.246 145 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.246 145 G C 0.681 175.606 174.900 0.042 0.000 1.374 145 G CA 0.252 45.334 45.100 -0.030 0.000 0.982 145 G HN 0.180 nan 8.290 nan 0.000 0.563 146 K N 1.136 121.558 120.400 0.035 0.000 2.103 146 K HA 0.080 4.400 4.320 -0.001 0.000 0.207 146 K C 2.883 179.536 176.600 0.089 0.000 1.048 146 K CA 2.402 58.722 56.287 0.055 0.000 0.930 146 K CB -0.529 31.991 32.500 0.034 0.000 0.716 146 K HN 0.933 nan 8.250 nan 0.000 0.444 147 A N 0.303 123.177 122.820 0.090 0.000 1.908 147 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 147 A C 2.048 179.739 177.584 0.179 0.000 1.181 147 A CA 1.570 53.675 52.037 0.113 0.000 0.627 147 A CB -0.866 18.188 19.000 0.091 0.000 0.818 147 A HN 0.603 nan 8.150 nan 0.000 0.445 148 Y N 1.020 121.374 120.300 0.091 0.000 2.200 148 Y HA -0.157 4.393 4.550 -0.001 0.000 0.290 148 Y C 1.901 177.977 175.900 0.294 0.000 1.137 148 Y CA 1.659 59.865 58.100 0.176 0.000 1.163 148 Y CB -0.165 38.345 38.460 0.083 0.000 0.988 148 Y HN 0.351 nan 8.280 nan 0.000 0.518 149 D N 0.312 120.804 120.400 0.153 0.000 2.133 149 D HA -0.205 4.435 4.640 -0.001 0.000 0.195 149 D C 1.646 178.011 176.300 0.108 0.000 0.997 149 D CA 1.740 55.847 54.000 0.178 0.000 0.840 149 D CB -0.313 40.605 40.800 0.197 0.000 0.947 149 D HN 0.448 nan 8.370 nan 0.000 0.452 150 D N -0.068 120.390 120.400 0.096 0.000 2.104 150 D HA -0.157 4.483 4.640 -0.001 0.000 0.194 150 D C 1.896 178.228 176.300 0.052 0.000 0.994 150 D CA 0.463 54.509 54.000 0.076 0.000 0.830 150 D CB -0.606 40.246 40.800 0.088 0.000 0.959 150 D HN 0.221 nan 8.370 nan 0.000 0.452 151 F N 0.482 120.376 119.950 -0.095 0.000 2.069 151 F HA -0.276 4.251 4.527 -0.001 0.000 0.298 151 F C 2.385 178.067 175.800 -0.197 0.000 1.113 151 F CA 1.292 59.220 58.000 -0.120 0.000 1.214 151 F CB -0.596 38.344 39.000 -0.099 0.000 0.978 151 F HN -0.064 nan 8.300 nan 0.000 0.474 152 Y N 0.415 120.472 120.300 -0.405 0.000 2.128 152 Y HA -0.247 4.303 4.550 -0.001 0.000 0.284 152 Y C 2.373 177.987 175.900 -0.475 0.000 1.154 152 Y CA 2.223 60.000 58.100 -0.538 0.000 1.149 152 Y CB -0.790 37.262 38.460 -0.680 0.000 0.976 152 Y HN -0.052 nan 8.280 nan 0.000 0.505 153 V N -0.048 119.725 119.914 -0.235 0.000 2.392 153 V HA -0.314 3.806 4.120 -0.001 0.000 0.249 153 V C 2.557 178.520 176.094 -0.219 0.000 1.059 153 V CA 1.957 64.142 62.300 -0.191 0.000 1.051 153 V CB -1.533 30.280 31.823 -0.018 0.000 0.658 153 V HN 0.660 nan 8.190 nan 0.000 0.455 154 G N -1.321 107.347 108.800 -0.218 0.000 2.418 154 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.217 154 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.217 154 G C 1.494 176.251 174.900 -0.238 0.000 1.158 154 G CA 0.670 45.654 45.100 -0.193 0.000 0.771 154 G HN 0.533 nan 8.290 nan 0.000 0.545 155 Q N -0.728 118.834 119.800 -0.397 0.000 2.123 155 Q HA 0.033 4.373 4.340 -0.001 0.000 0.199 155 Q C 2.526 178.336 176.000 -0.316 0.000 0.966 155 Q CA 0.591 56.236 55.803 -0.263 0.000 0.845 155 Q CB -0.195 28.340 28.738 -0.339 0.000 0.907 155 Q HN 0.384 nan 8.270 nan 0.000 0.439 156 L N 0.530 121.472 121.223 -0.469 0.000 2.083 156 L HA -0.159 4.180 4.340 -0.001 0.000 0.209 156 L C 2.156 178.887 176.870 -0.232 0.000 1.083 156 L CA 1.834 56.431 54.840 -0.404 0.000 0.752 156 L CB -0.695 41.110 42.059 -0.423 0.000 0.899 156 L HN 0.129 nan 8.230 nan 0.000 0.433 157 T N -0.862 113.586 114.554 -0.177 0.000 2.746 157 T HA -0.171 4.179 4.350 -0.001 0.000 0.267 157 T C 1.675 176.321 174.700 -0.090 0.000 1.039 157 T CA 1.534 63.571 62.100 -0.104 0.000 1.142 157 T CB -0.148 68.674 68.868 -0.076 0.000 0.866 157 T HN 0.449 nan 8.240 nan 0.000 0.444 158 E N 0.879 121.028 120.200 -0.085 0.000 2.038 158 E HA -0.089 4.261 4.350 -0.001 0.000 0.195 158 E C 2.251 178.799 176.600 -0.087 0.000 1.000 158 E CA 1.038 57.415 56.400 -0.038 0.000 0.803 158 E CB -0.339 29.440 29.700 0.133 0.000 0.750 158 E HN 0.404 nan 8.360 nan 0.000 0.448 159 L N 0.618 121.706 121.223 -0.224 0.000 2.131 159 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 159 L C 2.268 179.147 176.870 0.015 0.000 1.092 159 L CA 0.786 55.516 54.840 -0.182 0.000 0.759 159 L CB -0.241 41.548 42.059 -0.450 0.000 0.903 159 L HN 0.177 nan 8.230 nan 0.000 0.435 160 L N -0.865 120.326 121.223 -0.053 0.000 2.567 160 L HA 0.010 4.350 4.340 -0.001 0.000 0.225 160 L C 2.099 178.966 176.870 -0.006 0.000 1.119 160 L CA 0.877 55.708 54.840 -0.016 0.000 0.871 160 L CB -0.400 41.635 42.059 -0.040 0.000 1.036 160 L HN 0.405 nan 8.230 nan 0.000 0.459 161 T N -6.020 108.512 114.554 -0.036 0.000 2.959 161 T HA 0.060 4.410 4.350 -0.001 0.000 0.254 161 T C 1.545 176.168 174.700 -0.129 0.000 1.003 161 T CA -0.212 61.852 62.100 -0.061 0.000 0.950 161 T CB 0.346 69.177 68.868 -0.061 0.000 1.090 161 T HN 0.012 nan 8.240 nan 0.000 0.503 162 Q N -0.091 119.560 119.800 -0.248 0.000 2.319 162 Q HA 0.284 4.624 4.340 -0.001 0.000 0.209 162 Q C -0.182 175.355 176.000 -0.772 0.000 0.884 162 Q CA 0.438 55.896 55.803 -0.574 0.000 0.938 162 Q CB 0.354 28.582 28.738 -0.850 0.000 1.098 162 Q HN 0.728 nan 8.270 nan 0.000 0.517 163 Y N -0.743 119.538 120.300 -0.032 0.000 2.738 163 Y HA 0.424 4.973 4.550 -0.001 0.000 0.249 163 Y C 1.090 176.988 175.900 -0.003 0.000 1.157 163 Y CA 0.010 58.087 58.100 -0.038 0.000 1.189 163 Y CB 0.811 39.248 38.460 -0.038 0.000 1.262 163 Y HN 0.098 nan 8.280 nan 0.000 0.554 164 G N 1.007 109.861 108.800 0.090 0.000 2.681 164 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.220 164 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.220 164 G C -2.813 172.170 174.900 0.138 0.000 1.353 164 G CA -1.341 43.813 45.100 0.090 0.000 0.872 164 G HN 0.002 nan 8.290 nan 0.000 0.557 165 P HA 0.467 nan 4.420 nan 0.000 0.268 165 P C -0.093 177.328 177.300 0.201 0.000 1.204 165 P CA -0.132 63.052 63.100 0.140 0.000 0.768 165 P CB 0.506 32.281 31.700 0.125 0.000 0.842 166 I N 4.175 124.834 120.570 0.147 0.000 2.406 166 I HA 0.167 4.336 4.170 -0.001 0.000 0.290 166 I C 0.984 177.146 176.117 0.076 0.000 0.999 166 I CA -0.658 60.701 61.300 0.098 0.000 1.124 166 I CB 1.117 39.118 38.000 0.002 0.000 1.289 166 I HN 0.431 nan 8.210 nan 0.000 0.441 167 F N 3.485 123.428 119.950 -0.011 0.000 2.569 167 F HA 0.303 4.829 4.527 -0.001 0.000 0.295 167 F C 0.694 176.478 175.800 -0.028 0.000 1.115 167 F CA -0.062 57.932 58.000 -0.009 0.000 1.450 167 F CB 0.185 39.175 39.000 -0.017 0.000 1.107 167 F HN 0.384 nan 8.300 nan 0.000 0.563 168 S N 0.113 115.273 115.700 -0.900 0.000 2.533 168 S HA 0.650 5.120 4.470 -0.001 0.000 0.271 168 S C -1.548 172.783 174.600 -0.447 0.000 1.143 168 S CA -0.637 57.151 58.200 -0.687 0.000 0.891 168 S CB 1.618 64.246 63.200 -0.954 0.000 1.105 168 S HN 0.012 nan 8.310 nan 0.000 0.468 169 V N 4.372 124.164 119.914 -0.204 0.000 2.334 169 V HA 0.466 4.585 4.120 -0.001 0.000 0.281 169 V C -0.714 175.421 176.094 0.067 0.000 1.016 169 V CA -0.546 61.716 62.300 -0.065 0.000 0.832 169 V CB 0.878 32.696 31.823 -0.009 0.000 0.999 169 V HN 0.894 nan 8.190 nan 0.000 0.439 170 W N 6.591 127.873 121.300 -0.029 0.000 2.361 170 W HA 0.717 5.377 4.660 -0.001 0.000 0.309 170 W C -0.893 175.810 176.519 0.306 0.000 1.122 170 W CA -0.376 57.009 57.345 0.067 0.000 1.208 170 W CB 1.091 30.521 29.460 -0.050 0.000 1.246 170 W HN 0.389 nan 8.180 nan 0.000 0.490 171 L N 7.227 128.439 121.223 -0.019 0.000 2.409 171 L HA 0.346 4.685 4.340 -0.001 0.000 0.272 171 L C -0.287 176.526 176.870 -0.095 0.000 0.980 171 L CA -0.998 53.958 54.840 0.193 0.000 0.826 171 L CB 1.597 43.828 42.059 0.287 0.000 1.268 171 L HN 0.438 nan 8.230 nan 0.000 0.407 172 D N 1.567 122.110 120.400 0.238 0.000 2.392 172 D HA 0.368 5.007 4.640 -0.001 0.000 0.246 172 D C 0.543 177.028 176.300 0.308 0.000 1.013 172 D CA -0.638 53.441 54.000 0.133 0.000 0.993 172 D CB 2.266 43.227 40.800 0.269 0.000 1.219 172 D HN 0.505 nan 8.370 nan 0.000 0.538 173 G N -1.191 107.756 108.800 0.245 0.000 3.192 173 G HA2 0.410 4.370 3.960 -0.001 0.000 0.239 173 G HA3 0.410 4.370 3.960 -0.001 0.000 0.239 173 G C 0.564 175.670 174.900 0.343 0.000 1.084 173 G CA 0.185 45.537 45.100 0.419 0.000 0.784 173 G HN 0.763 nan 8.290 nan 0.000 0.540 174 A N 1.449 124.387 122.820 0.196 0.000 2.565 174 A HA 0.449 4.769 4.320 -0.001 0.000 0.237 174 A C 0.459 177.943 177.584 -0.168 0.000 1.053 174 A CA 0.388 52.407 52.037 -0.029 0.000 0.755 174 A CB 0.022 19.015 19.000 -0.012 0.000 0.980 174 A HN 0.602 nan 8.150 nan 0.000 0.506 175 N N 0.759 119.113 118.700 -0.576 0.000 2.902 175 N HA 0.828 5.567 4.740 -0.001 0.000 0.268 175 N C -0.284 174.506 175.510 -1.201 0.000 1.450 175 N CA -0.026 52.555 53.050 -0.782 0.000 0.819 175 N CB 0.983 39.201 38.487 -0.448 0.000 1.540 175 N HN 1.038 nan 8.380 nan 0.000 0.545 176 G N -0.940 107.411 108.800 -0.749 0.000 2.561 176 G HA2 0.401 4.361 3.960 -0.001 0.000 0.310 176 G HA3 0.401 4.361 3.960 -0.001 0.000 0.310 176 G C -1.745 173.132 174.900 -0.039 0.000 1.292 176 G CA -0.713 44.175 45.100 -0.354 0.000 0.811 176 G HN 0.559 nan 8.290 nan 0.000 0.482 177 E N -0.545 119.685 120.200 0.051 0.000 2.319 177 E HA 0.494 4.844 4.350 -0.001 0.000 0.268 177 E C 0.582 177.296 176.600 0.189 0.000 1.050 177 E CA -0.272 56.156 56.400 0.047 0.000 0.878 177 E CB 1.648 31.354 29.700 0.011 0.000 1.066 177 E HN 0.605 nan 8.360 nan 0.000 0.406 178 G N 0.926 109.799 108.800 0.121 0.000 2.563 178 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.283 178 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.283 178 G C 0.733 175.689 174.900 0.093 0.000 1.309 178 G CA -0.367 44.835 45.100 0.170 0.000 1.022 178 G HN 0.360 nan 8.290 nan 0.000 0.501 179 K N 0.419 120.869 120.400 0.084 0.000 2.127 179 K HA -0.154 4.166 4.320 -0.001 0.000 0.208 179 K C 2.027 178.641 176.600 0.025 0.000 1.047 179 K CA 1.646 57.963 56.287 0.051 0.000 0.927 179 K CB -0.172 32.355 32.500 0.044 0.000 0.716 179 K HN 0.661 nan 8.250 nan 0.000 0.450 180 N N -0.427 118.282 118.700 0.015 0.000 2.449 180 N HA -0.034 4.706 4.740 -0.001 0.000 0.191 180 N C 1.039 176.544 175.510 -0.008 0.000 1.161 180 N CA 1.065 54.114 53.050 -0.001 0.000 0.863 180 N CB -0.075 38.406 38.487 -0.010 0.000 0.980 180 N HN 0.220 nan 8.380 nan 0.000 0.458 181 G N -0.215 108.584 108.800 -0.002 0.000 2.189 181 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.267 181 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.267 181 G C -0.261 174.620 174.900 -0.032 0.000 0.975 181 G CA 0.463 45.557 45.100 -0.009 0.000 0.644 181 G HN 0.516 nan 8.290 nan 0.000 0.537 182 K N 0.905 121.274 120.400 -0.051 0.000 2.156 182 K HA 0.488 4.807 4.320 -0.001 0.000 0.271 182 K C 0.066 176.565 176.600 -0.167 0.000 0.995 182 K CA -0.378 55.856 56.287 -0.089 0.000 0.890 182 K CB 1.171 33.620 32.500 -0.084 0.000 1.073 182 K HN 0.070 nan 8.250 nan 0.000 0.454 183 T N 2.778 117.195 114.554 -0.229 0.000 2.814 183 T HA 0.009 4.359 4.350 -0.001 0.000 0.297 183 T C 0.009 174.284 174.700 -0.709 0.000 0.956 183 T CA -0.133 61.700 62.100 -0.445 0.000 1.123 183 T CB 0.731 69.299 68.868 -0.500 0.000 0.902 183 T HN 0.380 nan 8.240 nan 0.000 0.528 184 Q N 2.494 121.787 119.800 -0.844 0.000 2.267 184 Q HA 0.345 4.684 4.340 -0.001 0.000 0.255 184 Q C -1.662 173.599 176.000 -1.230 0.000 0.923 184 Q CA -0.072 55.135 55.803 -0.994 0.000 0.925 184 Q CB 0.363 28.211 28.738 -1.483 0.000 1.195 184 Q HN 0.606 nan 8.270 nan 0.000 0.417 185 Y N 2.526 122.432 120.300 -0.657 0.000 2.509 185 Y HA 0.469 5.018 4.550 -0.001 0.000 0.341 185 Y C -1.044 174.411 175.900 -0.742 0.000 1.038 185 Y CA -0.783 56.898 58.100 -0.698 0.000 1.089 185 Y CB 1.281 39.520 38.460 -0.367 0.000 1.241 185 Y HN 0.510 nan 8.280 nan 0.000 0.468 186 Y N 0.208 120.303 120.300 -0.341 0.000 2.360 186 Y HA 0.241 4.791 4.550 -0.001 0.000 0.337 186 Y C 0.125 175.411 175.900 -1.024 0.000 1.039 186 Y CA -1.700 55.920 58.100 -0.799 0.000 1.109 186 Y CB 0.901 38.546 38.460 -1.358 0.000 1.201 186 Y HN 0.478 nan 8.280 nan 0.000 0.458 187 D N 2.598 122.490 120.400 -0.847 0.000 2.551 187 D HA 0.020 4.659 4.640 -0.001 0.000 0.223 187 D C 0.230 175.903 176.300 -1.044 0.000 1.144 187 D CA -0.089 53.495 54.000 -0.693 0.000 1.025 187 D CB -0.171 40.402 40.800 -0.379 0.000 1.085 187 D HN 0.619 nan 8.370 nan 0.000 0.506 188 W N 1.283 122.139 121.300 -0.741 0.000 2.335 188 W HA -0.176 4.483 4.660 -0.001 0.000 0.311 188 W C 2.108 178.000 176.519 -1.045 0.000 1.213 188 W CA 0.691 57.465 57.345 -0.953 0.000 1.274 188 W CB -0.152 28.902 29.460 -0.677 0.000 1.148 188 W HN 0.307 nan 8.180 nan 0.000 0.498 189 D N 0.034 120.225 120.400 -0.347 0.000 2.149 189 D HA -0.208 4.431 4.640 -0.001 0.000 0.198 189 D C 2.147 178.406 176.300 -0.068 0.000 0.990 189 D CA 1.417 55.334 54.000 -0.139 0.000 0.839 189 D CB -0.197 40.592 40.800 -0.018 0.000 0.948 189 D HN -0.006 nan 8.370 nan 0.000 0.460 190 R N -1.236 119.194 120.500 -0.116 0.000 2.075 190 R HA -0.149 4.191 4.340 -0.001 0.000 0.232 190 R C 1.969 178.383 176.300 0.190 0.000 1.126 190 R CA 1.023 57.140 56.100 0.030 0.000 0.963 190 R CB -0.288 30.027 30.300 0.025 0.000 0.858 190 R HN 0.245 nan 8.270 nan 0.000 0.435 191 Y N -0.279 119.995 120.300 -0.043 0.000 2.181 191 Y HA -0.220 4.330 4.550 -0.001 0.000 0.288 191 Y C 2.189 178.200 175.900 0.185 0.000 1.146 191 Y CA 0.544 58.682 58.100 0.063 0.000 1.164 191 Y CB -1.132 37.360 38.460 0.054 0.000 0.982 191 Y HN 0.104 nan 8.280 nan 0.000 0.515 192 Y N -0.096 120.377 120.300 0.289 0.000 2.224 192 Y HA -0.203 4.347 4.550 -0.001 0.000 0.289 192 Y C 2.448 178.421 175.900 0.122 0.000 1.146 192 Y CA 0.879 59.087 58.100 0.179 0.000 1.182 192 Y CB -1.329 37.210 38.460 0.132 0.000 0.983 192 Y HN 0.216 nan 8.280 nan 0.000 0.524 193 N N 0.239 119.098 118.700 0.265 0.000 2.188 193 N HA -0.133 4.606 4.740 -0.001 0.000 0.184 193 N C 1.691 177.279 175.510 0.131 0.000 1.018 193 N CA 1.161 54.309 53.050 0.164 0.000 0.858 193 N CB -0.289 38.270 38.487 0.120 0.000 0.989 193 N HN 0.052 nan 8.380 nan 0.000 0.426 194 V N 0.825 120.826 119.914 0.144 0.000 2.295 194 V HA -0.209 3.910 4.120 -0.001 0.000 0.246 194 V C 2.187 178.330 176.094 0.081 0.000 1.049 194 V CA 1.601 63.958 62.300 0.095 0.000 1.024 194 V CB -0.487 31.387 31.823 0.084 0.000 0.648 194 V HN 0.345 nan 8.190 nan 0.000 0.447 195 I N -0.835 119.807 120.570 0.120 0.000 2.179 195 I HA -0.186 3.984 4.170 -0.001 0.000 0.242 195 I C 2.769 178.926 176.117 0.066 0.000 1.088 195 I CA 1.262 62.615 61.300 0.088 0.000 1.357 195 I CB -0.540 37.535 38.000 0.125 0.000 1.051 195 I HN 0.168 nan 8.210 nan 0.000 0.409 196 R N 0.668 121.218 120.500 0.082 0.000 2.105 196 R HA -0.111 4.229 4.340 -0.001 0.000 0.239 196 R C 2.443 178.770 176.300 0.045 0.000 1.135 196 R CA 1.456 57.589 56.100 0.056 0.000 0.967 196 R CB -0.856 29.483 30.300 0.064 0.000 0.861 196 R HN 0.342 nan 8.270 nan 0.000 0.442 197 S N 0.877 116.607 115.700 0.050 0.000 2.362 197 S HA 0.052 4.522 4.470 -0.001 0.000 0.221 197 S C 2.088 176.704 174.600 0.027 0.000 1.032 197 S CA 0.725 58.947 58.200 0.037 0.000 0.973 197 S CB -0.020 63.203 63.200 0.039 0.000 0.849 197 S HN 0.189 nan 8.310 nan 0.000 0.465 198 L N 0.352 121.590 121.223 0.025 0.000 2.162 198 L HA 0.116 4.455 4.340 -0.001 0.000 0.205 198 L C 0.597 177.478 176.870 0.018 0.000 1.086 198 L CA 0.800 55.649 54.840 0.014 0.000 0.778 198 L CB -0.056 42.005 42.059 0.003 0.000 0.928 198 L HN 0.197 nan 8.230 nan 0.000 0.446 199 Q N -0.543 119.269 119.800 0.022 0.000 3.122 199 Q HA 0.222 4.562 4.340 -0.001 0.000 0.282 199 Q C -1.949 174.066 176.000 0.026 0.000 0.947 199 Q CA -1.431 54.387 55.803 0.025 0.000 0.812 199 Q CB 1.344 30.093 28.738 0.018 0.000 1.333 199 Q HN 0.055 nan 8.270 nan 0.000 0.430 200 P HA -0.132 nan 4.420 nan 0.000 0.219 200 P C 0.444 177.760 177.300 0.026 0.000 1.146 200 P CA 1.211 64.326 63.100 0.025 0.000 0.808 200 P CB 0.486 32.200 31.700 0.025 0.000 0.779 201 D N -1.024 119.398 120.400 0.037 0.000 2.349 201 D HA 0.102 4.742 4.640 -0.001 0.000 0.215 201 D C 0.940 177.275 176.300 0.058 0.000 1.016 201 D CA 0.229 54.260 54.000 0.051 0.000 0.870 201 D CB -0.312 40.527 40.800 0.065 0.000 0.917 201 D HN 0.095 nan 8.370 nan 0.000 0.524 202 A N 1.039 123.879 122.820 0.034 0.000 2.425 202 A HA 0.378 4.698 4.320 -0.001 0.000 0.249 202 A C 0.507 178.075 177.584 -0.026 0.000 1.084 202 A CA -0.522 51.518 52.037 0.005 0.000 0.781 202 A CB 0.520 19.498 19.000 -0.036 0.000 1.019 202 A HN 0.045 nan 8.150 nan 0.000 0.490 203 V N 1.129 121.008 119.914 -0.059 0.000 2.465 203 V HA 0.561 4.681 4.120 -0.001 0.000 0.279 203 V C -0.021 175.973 176.094 -0.167 0.000 1.045 203 V CA -0.528 61.687 62.300 -0.141 0.000 0.938 203 V CB 0.552 32.208 31.823 -0.278 0.000 0.986 203 V HN 0.566 nan 8.190 nan 0.000 0.467 204 I N 4.485 124.957 120.570 -0.163 0.000 2.312 204 I HA 0.392 4.562 4.170 -0.001 0.000 0.291 204 I C 0.383 176.387 176.117 -0.188 0.000 1.031 204 I CA 0.392 61.607 61.300 -0.142 0.000 1.293 204 I CB 1.065 38.960 38.000 -0.174 0.000 1.403 204 I HN 0.734 nan 8.210 nan 0.000 0.484 205 S N 4.548 120.130 115.700 -0.197 0.000 2.532 205 S HA 0.649 5.118 4.470 -0.001 0.000 0.301 205 S C 0.735 175.074 174.600 -0.435 0.000 1.083 205 S CA -0.589 57.438 58.200 -0.287 0.000 1.025 205 S CB 2.428 65.491 63.200 -0.228 0.000 1.056 205 S HN 0.589 nan 8.310 nan 0.000 0.494 206 V N -0.062 119.640 119.914 -0.352 0.000 0.661 206 V HA -0.326 3.794 4.120 -0.001 0.000 0.092 206 V C 1.053 177.003 176.094 -0.239 0.000 1.201 206 V CA 1.525 63.615 62.300 -0.349 0.000 3.194 206 V CB -1.491 29.870 31.823 -0.771 0.000 0.411 206 V HN 0.952 nan 8.190 nan 0.000 0.399 207 C N 3.479 122.589 119.300 -0.317 0.000 3.089 207 C HA 0.666 5.126 4.460 -0.001 0.000 0.548 207 C C 0.851 175.707 174.990 -0.224 0.000 1.205 207 C CA 0.371 59.179 59.018 -0.350 0.000 1.398 207 C CB -2.119 25.303 27.740 -0.531 0.000 1.764 207 C HN 1.138 nan 8.230 nan 0.000 0.638 208 G N 1.355 110.051 108.800 -0.173 0.000 2.576 208 G HA2 0.489 4.448 3.960 -0.001 0.000 0.290 208 G HA3 0.489 4.448 3.960 -0.001 0.000 0.290 208 G C -2.654 172.097 174.900 -0.249 0.000 1.442 208 G CA -0.388 44.539 45.100 -0.289 0.000 0.792 208 G HN -0.046 nan 8.290 nan 0.000 0.491 209 P HA 0.160 nan 4.420 nan 0.000 0.245 209 P C 0.183 177.407 177.300 -0.128 0.000 1.203 209 P CA 0.589 63.471 63.100 -0.363 0.000 0.792 209 P CB 0.727 32.195 31.700 -0.388 0.000 0.997 210 D N -0.447 119.912 120.400 -0.069 0.000 2.277 210 D HA 0.071 4.711 4.640 -0.001 0.000 0.209 210 D C 0.520 176.766 176.300 -0.089 0.000 0.970 210 D CA 0.791 54.756 54.000 -0.058 0.000 0.874 210 D CB 0.740 41.440 40.800 -0.167 0.000 0.982 210 D HN 0.028 nan 8.370 nan 0.000 0.504 211 V N 0.650 120.472 119.914 -0.153 0.000 2.733 211 V HA 0.274 4.394 4.120 -0.001 0.000 0.306 211 V C -0.465 175.344 176.094 -0.476 0.000 1.084 211 V CA -1.009 61.002 62.300 -0.482 0.000 0.905 211 V CB 3.239 34.630 31.823 -0.720 0.000 1.010 211 V HN -0.115 nan 8.190 nan 0.000 0.424 212 R N 2.896 122.947 120.500 -0.748 0.000 2.460 212 R HA 0.380 4.720 4.340 -0.001 0.000 0.303 212 R C -1.106 175.060 176.300 -0.223 0.000 0.968 212 R CA -0.628 54.975 56.100 -0.830 0.000 0.889 212 R CB 1.166 30.664 30.300 -1.336 0.000 1.123 212 R HN 0.728 nan 8.270 nan 0.000 0.455 213 W N 4.729 125.892 121.300 -0.229 0.000 2.381 213 W HA 0.213 4.872 4.660 -0.001 0.000 0.321 213 W C 0.267 176.758 176.519 -0.047 0.000 1.407 213 W CA -0.055 57.251 57.345 -0.064 0.000 1.274 213 W CB 0.560 30.003 29.460 -0.027 0.000 1.310 213 W HN 0.842 nan 8.180 nan 0.000 0.551 214 A N 5.358 127.943 122.820 -0.391 0.000 2.076 214 A HA 0.112 4.431 4.320 -0.001 0.000 0.220 214 A C 1.993 179.116 177.584 -0.769 0.000 1.160 214 A CA 1.397 53.168 52.037 -0.444 0.000 0.653 214 A CB -1.160 17.694 19.000 -0.243 0.000 0.801 214 A HN 1.816 nan 8.150 nan 0.000 0.455 215 G N 0.192 107.953 108.800 -1.732 0.000 2.249 215 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.273 215 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.273 215 G C -0.084 174.356 174.900 -0.766 0.000 1.036 215 G CA 0.351 44.289 45.100 -1.936 0.000 0.824 215 G HN 1.071 nan 8.290 nan 0.000 0.504 216 N N 0.104 118.517 118.700 -0.478 0.000 2.509 216 N HA 0.349 5.089 4.740 -0.001 0.000 0.287 216 N C 0.076 175.587 175.510 0.002 0.000 1.121 216 N CA -0.494 52.461 53.050 -0.158 0.000 0.977 216 N CB 1.472 39.906 38.487 -0.089 0.000 1.167 216 N HN 0.535 nan 8.380 nan 0.000 0.476 217 E N 0.617 120.871 120.200 0.091 0.000 2.392 217 E HA 0.217 4.566 4.350 -0.001 0.000 0.264 217 E C -0.211 176.488 176.600 0.165 0.000 1.024 217 E CA -0.713 55.797 56.400 0.183 0.000 0.903 217 E CB 0.576 30.431 29.700 0.259 0.000 0.963 217 E HN 0.692 nan 8.360 nan 0.000 0.432 218 A N 3.289 126.180 122.820 0.119 0.000 2.573 218 A HA 0.273 4.593 4.320 -0.001 0.000 0.250 218 A C 1.214 178.723 177.584 -0.126 0.000 1.049 218 A CA 0.894 52.949 52.037 0.029 0.000 0.767 218 A CB -0.789 18.230 19.000 0.032 0.000 0.965 218 A HN 1.120 nan 8.150 nan 0.000 0.514 219 G N 2.072 110.776 108.800 -0.160 0.000 2.176 219 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.253 219 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.253 219 G C -0.011 174.635 174.900 -0.424 0.000 0.979 219 G CA 0.735 45.657 45.100 -0.297 0.000 0.641 219 G HN 1.244 nan 8.290 nan 0.000 0.530 220 H N -1.236 117.821 119.070 -0.022 0.000 2.731 220 H HA 0.740 5.296 4.556 -0.001 0.000 0.368 220 H C 0.081 175.377 175.328 -0.054 0.000 1.168 220 H CA -0.568 55.458 56.048 -0.035 0.000 1.181 220 H CB 2.575 32.320 29.762 -0.028 0.000 1.743 220 H HN 0.761 nan 8.280 nan 0.000 0.547 221 V N -1.046 118.912 119.914 0.073 0.000 3.078 221 V HA 0.550 4.669 4.120 -0.001 0.000 0.311 221 V C -0.202 175.880 176.094 -0.020 0.000 1.138 221 V CA -1.411 60.883 62.300 -0.009 0.000 1.007 221 V CB 2.037 33.829 31.823 -0.053 0.000 1.045 221 V HN 0.706 nan 8.190 nan 0.000 0.432 222 R N 1.483 121.952 120.500 -0.051 0.000 2.570 222 R HA 0.123 4.462 4.340 -0.001 0.000 0.277 222 R C 0.399 176.668 176.300 -0.051 0.000 1.039 222 R CA -0.023 56.047 56.100 -0.049 0.000 1.065 222 R CB 0.370 30.636 30.300 -0.056 0.000 0.964 222 R HN 0.827 nan 8.270 nan 0.000 0.428 223 D N 1.032 121.411 120.400 -0.035 0.000 2.149 223 D HA -0.110 4.530 4.640 -0.001 0.000 0.198 223 D C -0.025 176.238 176.300 -0.062 0.000 0.990 223 D CA 1.618 55.598 54.000 -0.034 0.000 0.839 223 D CB 0.120 40.915 40.800 -0.008 0.000 0.948 223 D HN 0.381 nan 8.370 nan 0.000 0.460 224 N N 1.053 119.717 118.700 -0.060 0.000 2.573 224 N HA 0.136 4.875 4.740 -0.001 0.000 0.262 224 N C -1.156 174.258 175.510 -0.160 0.000 1.029 224 N CA -0.275 52.696 53.050 -0.131 0.000 0.882 224 N CB 1.902 40.376 38.487 -0.021 0.000 1.204 224 N HN -0.047 nan 8.380 nan 0.000 0.519 225 E N 1.831 121.879 120.200 -0.253 0.000 2.081 225 E HA 0.236 4.585 4.350 -0.001 0.000 0.281 225 E C -1.276 175.130 176.600 -0.323 0.000 0.986 225 E CA -0.387 55.892 56.400 -0.201 0.000 0.796 225 E CB 0.512 30.117 29.700 -0.158 0.000 1.085 225 E HN 0.313 nan 8.360 nan 0.000 0.398 226 W N 3.362 124.598 121.300 -0.106 0.000 2.361 226 W HA 0.251 4.911 4.660 -0.001 0.000 0.309 226 W C 1.082 177.455 176.519 -0.245 0.000 1.122 226 W CA -0.449 56.812 57.345 -0.139 0.000 1.208 226 W CB 1.725 31.126 29.460 -0.098 0.000 1.246 226 W HN 0.497 nan 8.180 nan 0.000 0.490 227 S N 1.242 116.839 115.700 -0.171 0.000 2.496 227 S HA -0.000 4.469 4.470 -0.001 0.000 0.224 227 S C 0.470 174.722 174.600 -0.580 0.000 0.996 227 S CA 0.059 57.893 58.200 -0.611 0.000 0.927 227 S CB -0.026 62.384 63.200 -1.318 0.000 0.774 227 S HN 0.205 nan 8.310 nan 0.000 0.524 228 V N 3.714 123.521 119.914 -0.179 0.000 2.348 228 V HA 0.488 4.607 4.120 -0.001 0.000 0.270 228 V C -0.060 176.019 176.094 -0.025 0.000 1.037 228 V CA -0.396 61.887 62.300 -0.028 0.000 0.872 228 V CB 0.495 32.375 31.823 0.095 0.000 1.002 228 V HN 0.234 nan 8.190 nan 0.000 0.464 229 V N 3.514 123.411 119.914 -0.028 0.000 3.159 229 V HA 0.723 4.843 4.120 -0.001 0.000 0.308 229 V C -3.006 173.023 176.094 -0.109 0.000 1.190 229 V CA -3.140 59.122 62.300 -0.063 0.000 1.037 229 V CB 2.237 34.049 31.823 -0.018 0.000 1.060 229 V HN 0.498 nan 8.190 nan 0.000 0.437 230 P HA 0.153 nan 4.420 nan 0.000 0.264 230 P C 0.508 177.664 177.300 -0.241 0.000 1.183 230 P CA 0.327 63.170 63.100 -0.427 0.000 0.763 230 P CB 0.407 31.580 31.700 -0.878 0.000 0.807 231 R N 4.547 124.941 120.500 -0.177 0.000 2.152 231 R HA -0.184 4.156 4.340 -0.001 0.000 0.232 231 R C 2.138 178.339 176.300 -0.166 0.000 1.117 231 R CA 1.348 57.360 56.100 -0.146 0.000 0.981 231 R CB -0.095 30.157 30.300 -0.081 0.000 0.870 231 R HN 0.453 nan 8.270 nan 0.000 0.451 232 R N 0.208 120.626 120.500 -0.137 0.000 2.159 232 R HA -0.142 4.197 4.340 -0.001 0.000 0.237 232 R C 1.994 178.238 176.300 -0.093 0.000 1.131 232 R CA 1.412 57.457 56.100 -0.092 0.000 0.982 232 R CB -0.814 29.463 30.300 -0.038 0.000 0.868 232 R HN 0.266 nan 8.270 nan 0.000 0.453 233 L N 0.752 121.920 121.223 -0.092 0.000 2.261 233 L HA -0.070 4.269 4.340 -0.001 0.000 0.216 233 L C 2.595 179.460 176.870 -0.008 0.000 1.114 233 L CA 1.201 56.049 54.840 0.014 0.000 0.777 233 L CB -0.325 41.807 42.059 0.122 0.000 0.910 233 L HN 0.229 nan 8.230 nan 0.000 0.440 234 R N -0.826 119.485 120.500 -0.316 0.000 2.193 234 R HA -0.071 4.268 4.340 -0.001 0.000 0.229 234 R C 1.739 177.899 176.300 -0.234 0.000 1.110 234 R CA 1.160 56.936 56.100 -0.540 0.000 0.988 234 R CB -0.074 29.835 30.300 -0.651 0.000 0.871 234 R HN 0.239 nan 8.270 nan 0.000 0.458 235 S N -0.356 115.257 115.700 -0.145 0.000 2.557 235 S HA 0.191 4.660 4.470 -0.001 0.000 0.223 235 S C 1.364 175.916 174.600 -0.080 0.000 0.969 235 S CA 0.130 58.258 58.200 -0.119 0.000 0.927 235 S CB 1.154 64.304 63.200 -0.084 0.000 0.806 235 S HN 0.347 nan 8.310 nan 0.000 0.489 236 A N 2.067 124.871 122.820 -0.026 0.000 1.930 236 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 236 A C 1.722 179.314 177.584 0.015 0.000 1.175 236 A CA 1.104 53.154 52.037 0.022 0.000 0.627 236 A CB -0.131 18.917 19.000 0.080 0.000 0.815 236 A HN 0.285 nan 8.150 nan 0.000 0.443 237 E N -0.233 119.954 120.200 -0.020 0.000 2.444 237 E HA 0.230 4.579 4.350 -0.001 0.000 0.191 237 E C -0.401 176.116 176.600 -0.137 0.000 1.041 237 E CA -0.065 56.302 56.400 -0.055 0.000 0.883 237 E CB -0.042 29.616 29.700 -0.070 0.000 1.024 237 E HN 0.560 nan 8.360 nan 0.000 0.470 238 L N 1.100 122.212 121.223 -0.185 0.000 2.305 238 L HA 0.199 4.538 4.340 -0.001 0.000 0.281 238 L C 0.997 177.901 176.870 0.057 0.000 1.085 238 L CA -0.238 54.446 54.840 -0.260 0.000 0.813 238 L CB 1.080 42.866 42.059 -0.456 0.000 1.157 238 L HN -0.116 nan 8.230 nan 0.000 0.436 255 V N 1.330 121.285 119.914 0.067 0.000 3.078 255 V HA 0.949 5.068 4.120 -0.001 0.000 0.311 255 V C -0.979 175.145 176.094 0.049 0.000 1.138 255 V CA 0.370 62.705 62.300 0.059 0.000 1.007 255 V CB 2.094 33.954 31.823 0.061 0.000 1.045 255 V HN 1.168 nan 8.190 nan 0.000 0.432 256 S N 2.430 118.156 115.700 0.045 0.000 2.564 256 S HA 0.423 4.892 4.470 -0.001 0.000 0.274 256 S C 0.737 175.366 174.600 0.049 0.000 1.124 256 S CA 0.202 58.438 58.200 0.060 0.000 0.869 256 S CB 2.007 65.248 63.200 0.068 0.000 1.105 256 S HN 0.859 nan 8.310 nan 0.000 0.472 257 S N 2.140 117.889 115.700 0.082 0.000 2.440 257 S HA -0.111 4.358 4.470 -0.001 0.000 0.238 257 S C 1.449 176.003 174.600 -0.078 0.000 1.010 257 S CA 1.356 59.581 58.200 0.040 0.000 0.972 257 S CB -0.290 63.016 63.200 0.177 0.000 0.774 257 S HN 0.777 nan 8.310 nan 0.000 0.501 258 Q N 0.525 120.305 119.800 -0.033 0.000 2.392 258 Q HA 0.098 4.437 4.340 -0.001 0.000 0.203 258 Q C -0.502 175.464 176.000 -0.056 0.000 0.917 258 Q CA -0.027 55.722 55.803 -0.089 0.000 0.939 258 Q CB 0.135 28.873 28.738 -0.000 0.000 1.063 258 Q HN 0.427 nan 8.270 nan 0.000 0.516 259 D N 1.391 121.775 120.400 -0.027 0.000 2.423 259 D HA -0.060 4.580 4.640 -0.001 0.000 0.238 259 D C 0.495 176.780 176.300 -0.025 0.000 1.142 259 D CA 0.256 54.248 54.000 -0.013 0.000 0.884 259 D CB 0.771 41.574 40.800 0.005 0.000 1.199 259 D HN -0.011 nan 8.370 nan 0.000 0.438 260 D N 0.007 120.398 120.400 -0.016 0.000 2.144 260 D HA -0.121 4.518 4.640 -0.001 0.000 0.200 260 D C 0.373 176.680 176.300 0.012 0.000 0.978 260 D CA 1.140 55.131 54.000 -0.015 0.000 0.833 260 D CB 0.118 40.910 40.800 -0.013 0.000 0.961 260 D HN 0.329 nan 8.370 nan 0.000 0.470 261 D N -0.088 120.328 120.400 0.027 0.000 2.460 261 D HA 0.193 4.833 4.640 -0.001 0.000 0.232 261 D C 0.698 177.026 176.300 0.046 0.000 1.079 261 D CA -0.252 53.783 54.000 0.058 0.000 0.864 261 D CB 0.787 41.621 40.800 0.057 0.000 1.048 261 D HN -0.065 nan 8.370 nan 0.000 0.523 262 L N 2.026 123.284 121.223 0.058 0.000 2.470 262 L HA 0.347 4.687 4.340 -0.001 0.000 0.219 262 L C 1.787 178.648 176.870 -0.015 0.000 1.071 262 L CA 0.377 55.227 54.840 0.018 0.000 0.850 262 L CB 0.570 42.634 42.059 0.008 0.000 1.040 262 L HN 0.486 nan 8.230 nan 0.000 0.475 263 G N -0.714 108.092 108.800 0.010 0.000 3.443 263 G HA2 0.044 4.003 3.960 -0.001 0.000 0.252 263 G HA3 0.044 4.003 3.960 -0.001 0.000 0.252 263 G C 0.525 174.980 174.900 -0.743 0.000 1.015 263 G CA 0.301 45.243 45.100 -0.263 0.000 0.891 263 G HN 0.254 nan 8.290 nan 0.000 0.510 264 S N -0.049 115.455 115.700 -0.328 0.000 2.587 264 S HA 0.206 4.675 4.470 -0.001 0.000 0.260 264 S C 1.480 175.915 174.600 -0.274 0.000 1.353 264 S CA -0.214 57.825 58.200 -0.268 0.000 0.995 264 S CB 1.276 64.490 63.200 0.023 0.000 0.912 264 S HN 0.293 nan 8.310 nan 0.000 0.568 265 R N 1.368 121.749 120.500 -0.199 0.000 2.091 265 R HA -0.165 4.175 4.340 -0.001 0.000 0.238 265 R C 2.430 178.689 176.300 -0.068 0.000 1.136 265 R CA 2.043 58.062 56.100 -0.134 0.000 0.959 265 R CB -0.637 29.619 30.300 -0.074 0.000 0.856 265 R HN 0.940 nan 8.270 nan 0.000 0.437 266 E N 0.817 120.994 120.200 -0.039 0.000 2.110 266 E HA -0.162 4.188 4.350 -0.001 0.000 0.193 266 E C 1.950 178.550 176.600 0.000 0.000 0.988 266 E CA 1.252 57.644 56.400 -0.014 0.000 0.804 266 E CB -0.237 29.463 29.700 0.000 0.000 0.745 266 E HN 0.333 nan 8.360 nan 0.000 0.458 267 A N 1.656 124.472 122.820 -0.006 0.000 1.968 267 A HA -0.042 4.278 4.320 -0.001 0.000 0.217 267 A C 2.447 180.091 177.584 0.100 0.000 1.169 267 A CA 1.353 53.410 52.037 0.033 0.000 0.638 267 A CB -0.423 18.579 19.000 0.004 0.000 0.812 267 A HN 0.292 nan 8.150 nan 0.000 0.446 268 V N -3.816 116.123 119.914 0.041 0.000 3.650 268 V HA 0.425 4.544 4.120 -0.001 0.000 0.271 268 V C 2.116 178.301 176.094 0.153 0.000 1.281 268 V CA 0.589 62.971 62.300 0.137 0.000 1.120 268 V CB -0.985 30.824 31.823 -0.024 0.000 0.856 268 V HN 0.489 nan 8.190 nan 0.000 0.443 269 A N 2.335 125.184 122.820 0.048 0.000 1.887 269 A HA -0.256 4.064 4.320 -0.001 0.000 0.225 269 A C 2.226 179.793 177.584 -0.028 0.000 1.464 269 A CA 2.923 54.959 52.037 -0.002 0.000 0.717 269 A CB -1.698 17.289 19.000 -0.023 0.000 0.848 269 A HN 1.015 nan 8.150 nan 0.000 0.477 270 G N -3.670 105.067 108.800 -0.106 0.000 2.956 270 G HA2 0.157 4.117 3.960 -0.001 0.000 0.207 270 G HA3 0.157 4.117 3.960 -0.001 0.000 0.207 270 G C 0.968 175.674 174.900 -0.322 0.000 1.162 270 G CA 0.745 45.708 45.100 -0.227 0.000 0.796 270 G HN 0.593 nan 8.290 nan 0.000 0.527 271 Y N 0.305 120.571 120.300 -0.056 0.000 2.510 271 Y HA 0.259 4.809 4.550 -0.001 0.000 0.273 271 Y C 2.316 178.162 175.900 -0.090 0.000 1.119 271 Y CA -0.047 58.016 58.100 -0.061 0.000 1.286 271 Y CB 0.195 38.626 38.460 -0.048 0.000 1.061 271 Y HN 0.303 nan 8.280 nan 0.000 0.542 272 G N 1.508 110.313 108.800 0.007 0.000 2.660 272 G HA2 -0.436 3.523 3.960 -0.001 0.000 0.321 272 G HA3 -0.436 3.523 3.960 -0.001 0.000 0.321 272 G C 0.956 175.732 174.900 -0.208 0.000 1.246 272 G CA 0.866 45.910 45.100 -0.094 0.000 1.000 272 G HN 0.453 nan 8.290 nan 0.000 0.550 273 D N 1.108 121.284 120.400 -0.373 0.000 2.340 273 D HA 0.012 4.652 4.640 -0.001 0.000 0.220 273 D C 1.247 177.404 176.300 -0.239 0.000 1.039 273 D CA 0.527 54.081 54.000 -0.743 0.000 0.866 273 D CB -0.166 40.155 40.800 -0.799 0.000 0.913 273 D HN 0.281 nan 8.370 nan 0.000 0.523 274 N N 1.330 119.990 118.700 -0.068 0.000 2.878 274 N HA 0.041 4.780 4.740 -0.001 0.000 0.282 274 N C -0.458 175.075 175.510 0.039 0.000 1.284 274 N CA -0.227 52.837 53.050 0.025 0.000 1.053 274 N CB -0.093 38.442 38.487 0.080 0.000 1.382 274 N HN 0.185 nan 8.380 nan 0.000 0.529 275 V N -2.113 117.853 119.914 0.086 0.000 3.074 275 V HA 0.855 4.974 4.120 -0.001 0.000 0.314 275 V C 0.069 176.251 176.094 0.146 0.000 1.117 275 V CA -1.059 61.289 62.300 0.081 0.000 1.014 275 V CB 1.300 33.187 31.823 0.107 0.000 1.057 275 V HN 0.311 nan 8.190 nan 0.000 0.438 276 C N -0.229 119.129 119.300 0.097 0.000 3.336 276 C HA 0.672 5.132 4.460 -0.001 0.000 0.339 276 C C -0.870 174.234 174.990 0.189 0.000 1.468 276 C CA -0.707 58.391 59.018 0.133 0.000 1.287 276 C CB 1.503 29.274 27.740 0.052 0.000 1.682 276 C HN 1.331 nan 8.230 nan 0.000 0.451 277 W N 2.372 123.704 121.300 0.053 0.000 2.332 277 W HA 0.530 5.190 4.660 -0.001 0.000 0.306 277 W C -1.748 174.865 176.519 0.156 0.000 1.149 277 W CA 0.105 57.505 57.345 0.093 0.000 1.271 277 W CB 0.955 30.452 29.460 0.062 0.000 1.243 277 W HN 0.838 nan 8.180 nan 0.000 0.459 278 Y N 9.507 129.646 120.300 -0.269 0.000 2.517 278 Y HA 0.275 4.824 4.550 -0.001 0.000 0.346 278 Y C -2.328 173.414 175.900 -0.264 0.000 1.113 278 Y CA -2.791 55.198 58.100 -0.185 0.000 1.295 278 Y CB 0.624 39.008 38.460 -0.128 0.000 1.094 278 Y HN 0.185 nan 8.280 nan 0.000 0.608 279 P HA 0.427 nan 4.420 nan 0.000 0.276 279 P C -0.689 176.510 177.300 -0.168 0.000 1.244 279 P CA -0.245 62.722 63.100 -0.221 0.000 0.801 279 P CB 1.774 33.532 31.700 0.096 0.000 1.006 280 A N 1.329 124.121 122.820 -0.047 0.000 2.310 280 A HA 0.386 4.706 4.320 -0.001 0.000 0.299 280 A C -0.010 177.678 177.584 0.173 0.000 1.147 280 A CA -0.485 51.525 52.037 -0.045 0.000 0.818 280 A CB 0.197 19.143 19.000 -0.091 0.000 1.096 280 A HN 0.634 nan 8.150 nan 0.000 0.495 281 E N 2.338 122.641 120.200 0.172 0.000 2.191 281 E HA 0.494 4.843 4.350 -0.001 0.000 0.263 281 E C -1.554 175.174 176.600 0.212 0.000 0.881 281 E CA -0.524 56.065 56.400 0.316 0.000 0.757 281 E CB 1.488 31.492 29.700 0.506 0.000 1.147 281 E HN 0.395 nan 8.360 nan 0.000 0.414 282 V N 4.476 124.469 119.914 0.133 0.000 2.498 282 V HA 0.183 4.302 4.120 -0.001 0.000 0.279 282 V C -0.280 175.940 176.094 0.210 0.000 1.048 282 V CA -0.183 62.187 62.300 0.117 0.000 0.967 282 V CB 1.153 32.991 31.823 0.024 0.000 0.988 282 V HN 0.763 nan 8.190 nan 0.000 0.473 283 D N 2.344 122.949 120.400 0.342 0.000 2.619 283 D HA 0.692 5.332 4.640 -0.001 0.000 0.241 283 D C -0.526 176.012 176.300 0.397 0.000 1.087 283 D CA -0.527 53.724 54.000 0.419 0.000 0.851 283 D CB 2.277 43.451 40.800 0.622 0.000 1.474 283 D HN 0.494 nan 8.370 nan 0.000 0.478 284 T N 0.007 114.717 114.554 0.259 0.000 2.802 284 T HA 0.560 4.910 4.350 -0.001 0.000 0.311 284 T C -1.639 172.855 174.700 -0.343 0.000 1.405 284 T CA -0.740 61.360 62.100 0.000 0.000 1.016 284 T CB 1.447 70.299 68.868 -0.027 0.000 1.352 284 T HN 0.420 nan 8.240 nan 0.000 0.498 285 S N 1.542 116.801 115.700 -0.734 0.000 2.509 285 S HA 0.505 4.974 4.470 -0.001 0.000 0.297 285 S C 1.263 175.604 174.600 -0.431 0.000 1.118 285 S CA -0.820 56.897 58.200 -0.806 0.000 1.074 285 S CB 0.788 63.181 63.200 -1.345 0.000 1.038 285 S HN 0.696 nan 8.310 nan 0.000 0.498 286 I N 3.018 123.407 120.570 -0.302 0.000 2.700 286 I HA -0.002 4.167 4.170 -0.001 0.000 0.261 286 I C 0.717 176.710 176.117 -0.207 0.000 1.219 286 I CA 0.940 62.121 61.300 -0.198 0.000 1.463 286 I CB -0.011 37.907 38.000 -0.136 0.000 1.092 286 I HN 0.561 nan 8.210 nan 0.000 0.452 287 R N -0.693 119.639 120.500 -0.280 0.000 2.919 287 R HA 0.338 4.678 4.340 -0.001 0.000 0.260 287 R C -1.861 174.264 176.300 -0.292 0.000 1.067 287 R CA -1.500 54.451 56.100 -0.248 0.000 1.003 287 R CB 0.529 30.687 30.300 -0.237 0.000 1.192 287 R HN -0.279 nan 8.270 nan 0.000 0.488 288 P HA -0.080 nan 4.420 nan 0.000 0.217 288 P C 0.174 177.328 177.300 -0.244 0.000 1.150 288 P CA 0.930 63.913 63.100 -0.196 0.000 0.832 288 P CB 0.190 31.819 31.700 -0.120 0.000 0.787 289 G N -2.322 106.353 108.800 -0.207 0.000 2.488 289 G HA2 0.228 4.187 3.960 -0.001 0.000 0.318 289 G HA3 0.228 4.187 3.960 -0.001 0.000 0.318 289 G C -0.348 174.322 174.900 -0.382 0.000 1.188 289 G CA -0.488 44.511 45.100 -0.167 0.000 0.944 289 G HN 0.070 nan 8.290 nan 0.000 0.495 290 W N -0.498 120.609 121.300 -0.323 0.000 2.576 290 W HA 0.326 4.986 4.660 -0.001 0.000 0.275 290 W C 0.522 176.600 176.519 -0.735 0.000 1.241 290 W CA -0.231 56.711 57.345 -0.671 0.000 1.328 290 W CB 0.032 28.869 29.460 -1.039 0.000 1.092 290 W HN 0.209 nan 8.180 nan 0.000 0.586 291 F N -0.951 118.860 119.950 -0.232 0.000 2.380 291 F HA 0.237 4.764 4.527 -0.001 0.000 0.321 291 F C 0.191 175.699 175.800 -0.488 0.000 1.103 291 F CA -1.537 56.284 58.000 -0.299 0.000 1.067 291 F CB 0.024 38.828 39.000 -0.328 0.000 1.265 291 F HN -0.349 nan 8.300 nan 0.000 0.517 292 Y N 2.376 122.513 120.300 -0.271 0.000 2.442 292 Y HA 0.186 4.735 4.550 -0.001 0.000 0.330 292 Y C -0.453 175.092 175.900 -0.591 0.000 1.129 292 Y CA -0.090 57.819 58.100 -0.319 0.000 1.365 292 Y CB -0.113 38.269 38.460 -0.129 0.000 1.233 292 Y HN 0.337 nan 8.280 nan 0.000 0.529 293 H N 5.780 124.473 119.070 -0.629 0.000 2.782 293 H HA 0.088 4.643 4.556 -0.001 0.000 0.347 293 H C 0.427 175.371 175.328 -0.641 0.000 1.038 293 H CA -0.589 55.210 56.048 -0.415 0.000 1.255 293 H CB 2.094 31.714 29.762 -0.236 0.000 1.623 293 H HN 0.741 nan 8.280 nan 0.000 0.525 294 Q N 2.535 122.223 119.800 -0.186 0.000 2.112 294 Q HA -0.178 4.161 4.340 -0.001 0.000 0.206 294 Q C 1.636 177.581 176.000 -0.092 0.000 0.987 294 Q CA 2.436 58.201 55.803 -0.064 0.000 0.858 294 Q CB 0.025 28.825 28.738 0.103 0.000 0.905 294 Q HN 0.666 nan 8.270 nan 0.000 0.420 295 S N -1.072 114.589 115.700 -0.064 0.000 2.547 295 S HA -0.069 4.401 4.470 -0.001 0.000 0.235 295 S C 1.064 175.612 174.600 -0.088 0.000 0.980 295 S CA 0.953 59.117 58.200 -0.059 0.000 0.941 295 S CB -0.088 63.082 63.200 -0.049 0.000 0.763 295 S HN 0.526 nan 8.310 nan 0.000 0.532 296 E N 0.377 120.493 120.200 -0.141 0.000 2.498 296 E HA 0.100 4.450 4.350 -0.001 0.000 0.203 296 E C 0.422 176.926 176.600 -0.159 0.000 1.013 296 E CA -0.087 56.224 56.400 -0.149 0.000 0.927 296 E CB 0.150 29.756 29.700 -0.156 0.000 1.012 296 E HN 0.359 nan 8.360 nan 0.000 0.482 297 D N 1.882 122.193 120.400 -0.149 0.000 2.221 297 D HA -0.167 4.472 4.640 -0.001 0.000 0.204 297 D C 1.206 177.474 176.300 -0.054 0.000 0.982 297 D CA 1.217 55.167 54.000 -0.083 0.000 0.857 297 D CB -0.079 40.710 40.800 -0.018 0.000 0.934 297 D HN 0.328 nan 8.370 nan 0.000 0.475 298 D N -0.638 119.729 120.400 -0.055 0.000 2.342 298 D HA -0.007 4.633 4.640 -0.001 0.000 0.221 298 D C 0.376 176.646 176.300 -0.050 0.000 1.101 298 D CA 0.098 54.073 54.000 -0.042 0.000 0.837 298 D CB -0.157 40.624 40.800 -0.032 0.000 0.938 298 D HN 0.071 nan 8.370 nan 0.000 0.508 299 K N 0.371 120.730 120.400 -0.068 0.000 2.676 299 K HA 0.231 4.551 4.320 -0.001 0.000 0.205 299 K C -0.109 176.440 176.600 -0.085 0.000 1.084 299 K CA -0.318 55.926 56.287 -0.072 0.000 1.057 299 K CB 1.818 34.271 32.500 -0.079 0.000 0.791 299 K HN -0.071 nan 8.250 nan 0.000 0.484 303 A N 1.067 123.876 122.820 -0.019 0.000 1.917 303 A HA -0.106 4.214 4.320 -0.001 0.000 0.219 303 A C 1.655 179.251 177.584 0.020 0.000 1.182 303 A CA 2.431 54.458 52.037 -0.017 0.000 0.633 303 A CB -1.358 17.613 19.000 -0.049 0.000 0.819 303 A HN 0.846 nan 8.150 nan 0.000 0.448 304 D N -0.603 119.808 120.400 0.018 0.000 2.123 304 D HA -0.159 4.480 4.640 -0.001 0.000 0.196 304 D C 2.219 178.566 176.300 0.078 0.000 0.992 304 D CA 1.607 55.644 54.000 0.060 0.000 0.833 304 D CB -0.417 40.402 40.800 0.032 0.000 0.954 304 D HN 0.649 nan 8.370 nan 0.000 0.455 305 Q N -0.249 119.570 119.800 0.032 0.000 2.084 305 Q HA -0.051 4.289 4.340 -0.001 0.000 0.202 305 Q C 2.462 178.477 176.000 0.025 0.000 0.978 305 Q CA 0.694 56.504 55.803 0.012 0.000 0.844 305 Q CB -0.030 28.699 28.738 -0.016 0.000 0.898 305 Q HN 0.313 nan 8.270 nan 0.000 0.426 306 L N -0.711 120.537 121.223 0.041 0.000 2.093 306 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 306 L C 2.233 179.184 176.870 0.135 0.000 1.085 306 L CA 0.738 55.613 54.840 0.058 0.000 0.755 306 L CB -0.373 41.709 42.059 0.038 0.000 0.904 306 L HN 0.221 nan 8.230 nan 0.000 0.435 307 F N 1.370 121.306 119.950 -0.024 0.000 2.146 307 F HA -0.214 4.312 4.527 -0.001 0.000 0.298 307 F C 2.170 177.998 175.800 0.047 0.000 1.096 307 F CA 1.493 59.484 58.000 -0.015 0.000 1.275 307 F CB -0.296 38.654 39.000 -0.084 0.000 1.008 307 F HN 0.104 nan 8.300 nan 0.000 0.480 308 D N 0.255 120.633 120.400 -0.036 0.000 2.123 308 D HA -0.177 4.463 4.640 -0.001 0.000 0.196 308 D C 2.290 178.511 176.300 -0.131 0.000 0.992 308 D CA 1.230 55.145 54.000 -0.142 0.000 0.833 308 D CB -0.583 40.181 40.800 -0.059 0.000 0.954 308 D HN 0.307 nan 8.370 nan 0.000 0.455 309 L N -0.422 120.770 121.223 -0.052 0.000 2.056 309 L HA -0.070 4.269 4.340 -0.001 0.000 0.207 309 L C 2.053 178.900 176.870 -0.039 0.000 1.078 309 L CA 1.505 56.317 54.840 -0.046 0.000 0.749 309 L CB -0.818 41.232 42.059 -0.016 0.000 0.901 309 L HN 0.164 nan 8.230 nan 0.000 0.433 310 W N -0.053 121.127 121.300 -0.199 0.000 2.355 310 W HA -0.214 4.446 4.660 -0.001 0.000 0.309 310 W C 2.253 178.589 176.519 -0.305 0.000 1.206 310 W CA 2.053 59.273 57.345 -0.209 0.000 1.284 310 W CB -0.211 29.159 29.460 -0.150 0.000 1.145 310 W HN 0.116 nan 8.180 nan 0.000 0.502 311 L N 0.035 121.106 121.223 -0.253 0.000 2.042 311 L HA -0.274 4.066 4.340 -0.001 0.000 0.210 311 L C 2.556 179.200 176.870 -0.377 0.000 1.076 311 L CA 1.769 56.337 54.840 -0.452 0.000 0.749 311 L CB -1.063 40.696 42.059 -0.500 0.000 0.893 311 L HN -0.086 nan 8.230 nan 0.000 0.432 312 S N -0.485 115.053 115.700 -0.269 0.000 2.371 312 S HA -0.055 4.415 4.470 -0.001 0.000 0.224 312 S C 2.057 176.533 174.600 -0.207 0.000 1.029 312 S CA 1.061 59.141 58.200 -0.201 0.000 0.978 312 S CB -0.087 63.029 63.200 -0.140 0.000 0.833 312 S HN 0.491 nan 8.310 nan 0.000 0.466 313 A N 0.994 123.675 122.820 -0.231 0.000 1.850 313 A HA 0.111 4.431 4.320 -0.001 0.000 0.212 313 A C 2.233 179.641 177.584 -0.293 0.000 1.208 313 A CA 0.967 52.875 52.037 -0.216 0.000 0.609 313 A CB -0.841 18.056 19.000 -0.171 0.000 0.860 313 A HN 0.299 nan 8.150 nan 0.000 0.448 314 V N 0.122 119.744 119.914 -0.487 0.000 2.809 314 V HA -0.061 4.059 4.120 -0.001 0.000 0.256 314 V C 2.268 178.083 176.094 -0.464 0.000 1.080 314 V CA 1.590 63.547 62.300 -0.572 0.000 1.102 314 V CB -0.767 30.402 31.823 -1.090 0.000 0.705 314 V HN 0.609 nan 8.190 nan 0.000 0.475 315 G N -0.359 108.156 108.800 -0.475 0.000 3.314 315 G HA2 0.358 4.318 3.960 -0.001 0.000 0.238 315 G HA3 0.358 4.318 3.960 -0.001 0.000 0.238 315 G C 0.789 175.567 174.900 -0.203 0.000 1.184 315 G CA 0.587 45.498 45.100 -0.314 0.000 0.806 315 G HN 0.597 nan 8.290 nan 0.000 0.536 316 G N 0.149 108.836 108.800 -0.187 0.000 4.867 316 G HA2 0.258 4.217 3.960 -0.001 0.000 0.258 316 G HA3 0.258 4.217 3.960 -0.001 0.000 0.258 316 G C 0.253 175.078 174.900 -0.125 0.000 0.999 316 G CA -0.276 44.736 45.100 -0.147 0.000 0.797 316 G HN 0.202 nan 8.290 nan 0.000 0.505 317 N N 0.137 118.784 118.700 -0.089 0.000 2.727 317 N HA -0.209 4.531 4.740 -0.001 0.000 0.249 317 N C -0.395 175.084 175.510 -0.050 0.000 1.048 317 N CA 1.112 54.139 53.050 -0.039 0.000 0.714 317 N CB -1.156 37.281 38.487 -0.082 0.000 0.959 317 N HN 0.344 nan 8.380 nan 0.000 0.544 318 S N -1.127 114.528 115.700 -0.076 0.000 2.564 318 S HA 0.672 5.142 4.470 -0.001 0.000 0.274 318 S C -0.313 174.213 174.600 -0.124 0.000 1.124 318 S CA -0.367 57.797 58.200 -0.060 0.000 0.869 318 S CB 1.814 64.974 63.200 -0.067 0.000 1.105 318 S HN 0.474 nan 8.310 nan 0.000 0.472 319 S N 1.034 116.680 115.700 -0.090 0.000 2.652 319 S HA 0.752 5.222 4.470 -0.001 0.000 0.270 319 S C -0.704 173.814 174.600 -0.137 0.000 1.243 319 S CA -0.673 57.402 58.200 -0.208 0.000 0.999 319 S CB 0.722 63.752 63.200 -0.283 0.000 0.973 319 S HN 0.570 nan 8.310 nan 0.000 0.544 320 L N 1.844 122.910 121.223 -0.262 0.000 2.349 320 L HA 0.674 5.014 4.340 -0.001 0.000 0.278 320 L C -1.319 175.310 176.870 -0.402 0.000 0.996 320 L CA -0.904 53.812 54.840 -0.206 0.000 0.825 320 L CB 1.466 43.448 42.059 -0.129 0.000 1.243 320 L HN 0.811 nan 8.230 nan 0.000 0.412 321 L N 6.192 127.285 121.223 -0.216 0.000 2.276 321 L HA 0.617 4.957 4.340 -0.001 0.000 0.286 321 L C -1.552 175.345 176.870 0.045 0.000 1.024 321 L CA -0.326 54.404 54.840 -0.184 0.000 0.826 321 L CB 1.358 43.474 42.059 0.094 0.000 1.211 321 L HN 0.680 nan 8.230 nan 0.000 0.422 322 L N 5.316 126.561 121.223 0.037 0.000 2.305 322 L HA 0.546 4.886 4.340 -0.001 0.000 0.284 322 L C -0.560 176.381 176.870 0.117 0.000 1.013 322 L CA -0.149 54.725 54.840 0.057 0.000 0.819 322 L CB 1.276 43.343 42.059 0.012 0.000 1.227 322 L HN 0.795 nan 8.230 nan 0.000 0.417 323 N N 4.581 123.334 118.700 0.089 0.000 2.472 323 N HA 0.561 5.300 4.740 -0.001 0.000 0.277 323 N C -1.313 174.163 175.510 -0.056 0.000 1.081 323 N CA -0.042 53.065 53.050 0.095 0.000 0.973 323 N CB 0.647 39.153 38.487 0.032 0.000 1.105 323 N HN 0.543 nan 8.380 nan 0.000 0.470 324 I N 4.628 125.182 120.570 -0.026 0.000 2.468 324 I HA 0.351 4.521 4.170 -0.001 0.000 0.284 324 I C -2.403 173.632 176.117 -0.137 0.000 1.038 324 I CA -1.661 59.584 61.300 -0.092 0.000 1.083 324 I CB 2.302 40.257 38.000 -0.075 0.000 1.223 324 I HN 0.468 nan 8.210 nan 0.000 0.443 325 P HA 0.423 nan 4.420 nan 0.000 0.297 325 P C -2.755 174.470 177.300 -0.125 0.000 1.331 325 P CA -2.112 60.917 63.100 -0.118 0.000 0.803 325 P CB 0.990 32.647 31.700 -0.072 0.000 0.929 326 P HA 0.036 nan 4.420 nan 0.000 0.269 326 P C 0.479 177.627 177.300 -0.252 0.000 1.215 326 P CA 0.189 62.981 63.100 -0.514 0.000 0.780 326 P CB 0.308 31.295 31.700 -1.189 0.000 0.898 327 S N 2.321 117.707 115.700 -0.523 0.000 2.624 327 S HA 0.254 4.724 4.470 -0.001 0.000 0.263 327 S C -1.715 172.744 174.600 -0.235 0.000 1.287 327 S CA -0.905 56.727 58.200 -0.945 0.000 0.990 327 S CB -0.238 62.330 63.200 -1.053 0.000 0.950 327 S HN 0.266 nan 8.310 nan 0.000 0.561 328 P HA -0.076 nan 4.420 nan 0.000 0.221 328 P C 1.209 178.499 177.300 -0.017 0.000 1.145 328 P CA 1.099 64.176 63.100 -0.038 0.000 0.795 328 P CB -0.024 31.645 31.700 -0.052 0.000 0.775 329 E N -0.040 120.126 120.200 -0.057 0.000 2.204 329 E HA -0.059 4.290 4.350 -0.001 0.000 0.194 329 E C 0.951 177.576 176.600 0.041 0.000 0.989 329 E CA 1.037 57.426 56.400 -0.018 0.000 0.824 329 E CB -0.531 29.148 29.700 -0.036 0.000 0.756 329 E HN 0.187 nan 8.360 nan 0.000 0.477 330 G N 0.341 109.181 108.800 0.066 0.000 2.141 330 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.164 330 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.164 330 G C -0.295 174.765 174.900 0.267 0.000 1.009 330 G CA 0.090 45.264 45.100 0.125 0.000 0.677 330 G HN 0.167 nan 8.290 nan 0.000 0.508 331 L N 0.095 121.387 121.223 0.116 0.000 2.371 331 L HA 0.622 4.962 4.340 -0.001 0.000 0.262 331 L C 0.638 177.453 176.870 -0.092 0.000 1.006 331 L CA -1.274 53.668 54.840 0.170 0.000 0.818 331 L CB 1.989 44.092 42.059 0.073 0.000 1.354 331 L HN -0.037 nan 8.230 nan 0.000 0.415 332 L N 2.132 123.303 121.223 -0.087 0.000 2.410 332 L HA 0.329 4.668 4.340 -0.001 0.000 0.273 332 L C 0.727 177.564 176.870 -0.055 0.000 1.144 332 L CA -0.156 54.587 54.840 -0.161 0.000 0.863 332 L CB 1.118 43.104 42.059 -0.122 0.000 1.140 332 L HN 0.741 nan 8.230 nan 0.000 0.463 333 A N 3.404 126.204 122.820 -0.033 0.000 2.386 333 A HA 0.117 4.436 4.320 -0.001 0.000 0.246 333 A C 1.141 178.741 177.584 0.026 0.000 1.089 333 A CA -0.178 51.874 52.037 0.026 0.000 0.790 333 A CB 0.291 19.382 19.000 0.152 0.000 1.042 333 A HN 0.900 nan 8.150 nan 0.000 0.497 334 E N 0.394 120.611 120.200 0.029 0.000 2.077 334 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 334 E C -0.749 175.857 176.600 0.010 0.000 0.989 334 E CA 1.670 58.080 56.400 0.017 0.000 0.800 334 E CB -0.963 28.747 29.700 0.016 0.000 0.746 334 E HN 0.582 nan 8.360 nan 0.000 0.452 335 P HA -0.117 nan 4.420 nan 0.000 0.217 335 P C 0.325 177.618 177.300 -0.010 0.000 1.150 335 P CA 1.295 64.394 63.100 -0.002 0.000 0.832 335 P CB 0.036 31.734 31.700 -0.004 0.000 0.787 336 D N -0.795 119.602 120.400 -0.005 0.000 2.117 336 D HA -0.110 4.529 4.640 -0.001 0.000 0.198 336 D C 1.948 178.236 176.300 -0.019 0.000 0.982 336 D CA 0.817 54.805 54.000 -0.020 0.000 0.828 336 D CB -1.035 39.752 40.800 -0.023 0.000 0.967 336 D HN -0.048 nan 8.370 nan 0.000 0.464 337 V N 0.490 120.398 119.914 -0.010 0.000 2.427 337 V HA -0.236 3.884 4.120 -0.001 0.000 0.248 337 V C 2.366 178.454 176.094 -0.011 0.000 1.051 337 V CA 1.464 63.761 62.300 -0.005 0.000 1.048 337 V CB -0.421 31.406 31.823 0.006 0.000 0.666 337 V HN 0.127 nan 8.190 nan 0.000 0.456 338 Q N 0.430 120.222 119.800 -0.013 0.000 2.079 338 Q HA -0.145 4.195 4.340 -0.001 0.000 0.200 338 Q C 2.341 178.324 176.000 -0.027 0.000 0.974 338 Q CA 2.326 58.118 55.803 -0.019 0.000 0.840 338 Q CB -0.561 28.168 28.738 -0.017 0.000 0.898 338 Q HN 0.577 nan 8.270 nan 0.000 0.430 339 S N 0.103 115.786 115.700 -0.028 0.000 2.368 339 S HA -0.095 4.375 4.470 -0.001 0.000 0.225 339 S C 1.836 176.414 174.600 -0.035 0.000 1.030 339 S CA 1.219 59.400 58.200 -0.032 0.000 0.999 339 S CB -0.358 62.822 63.200 -0.033 0.000 0.844 339 S HN 0.377 nan 8.310 nan 0.000 0.459 340 L N 0.991 122.196 121.223 -0.030 0.000 2.017 340 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 340 L C 2.554 179.400 176.870 -0.040 0.000 1.073 340 L CA 1.297 56.119 54.840 -0.029 0.000 0.745 340 L CB -0.416 41.633 42.059 -0.017 0.000 0.894 340 L HN 0.194 nan 8.230 nan 0.000 0.432 341 K N 0.495 120.874 120.400 -0.035 0.000 2.103 341 K HA -0.128 4.191 4.320 -0.001 0.000 0.207 341 K C 1.883 178.442 176.600 -0.068 0.000 1.048 341 K CA 1.600 57.861 56.287 -0.043 0.000 0.930 341 K CB -0.766 31.716 32.500 -0.031 0.000 0.716 341 K HN 0.270 nan 8.250 nan 0.000 0.444 342 G N 0.530 109.287 108.800 -0.070 0.000 2.403 342 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.216 342 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.216 342 G C 1.412 176.229 174.900 -0.139 0.000 1.154 342 G CA 0.783 45.825 45.100 -0.097 0.000 0.784 342 G HN 0.333 nan 8.290 nan 0.000 0.538 343 L N 1.654 122.811 121.223 -0.110 0.000 2.017 343 L HA 0.126 4.466 4.340 -0.001 0.000 0.208 343 L C 2.750 179.496 176.870 -0.207 0.000 1.073 343 L CA 2.545 57.307 54.840 -0.130 0.000 0.745 343 L CB -1.059 40.959 42.059 -0.067 0.000 0.894 343 L HN 0.145 nan 8.230 nan 0.000 0.432 344 G N -0.947 107.760 108.800 -0.156 0.000 2.442 344 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.219 344 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.219 344 G C 1.819 176.609 174.900 -0.184 0.000 1.141 344 G CA 0.858 45.863 45.100 -0.158 0.000 0.763 344 G HN 0.450 nan 8.290 nan 0.000 0.554 345 R N 0.159 120.553 120.500 -0.178 0.000 2.075 345 R HA 0.037 4.376 4.340 -0.001 0.000 0.232 345 R C 2.737 178.877 176.300 -0.267 0.000 1.126 345 R CA 1.091 57.084 56.100 -0.178 0.000 0.963 345 R CB -0.189 30.024 30.300 -0.146 0.000 0.858 345 R HN 0.282 nan 8.270 nan 0.000 0.435 346 R N -0.451 119.802 120.500 -0.411 0.000 2.092 346 R HA -0.054 4.286 4.340 -0.001 0.000 0.231 346 R C 2.231 178.086 176.300 -0.742 0.000 1.119 346 R CA 1.381 57.034 56.100 -0.746 0.000 0.970 346 R CB -0.203 29.366 30.300 -1.218 0.000 0.864 346 R HN 0.085 nan 8.270 nan 0.000 0.440 347 V N 0.063 119.642 119.914 -0.558 0.000 2.295 347 V HA -0.253 3.866 4.120 -0.001 0.000 0.246 347 V C 2.317 178.308 176.094 -0.173 0.000 1.049 347 V CA 2.076 64.098 62.300 -0.463 0.000 1.024 347 V CB -0.475 30.947 31.823 -0.667 0.000 0.648 347 V HN 0.342 nan 8.190 nan 0.000 0.447 348 S N -0.539 115.062 115.700 -0.164 0.000 2.368 348 S HA -0.243 4.226 4.470 -0.001 0.000 0.225 348 S C 1.958 176.528 174.600 -0.049 0.000 1.030 348 S CA 1.946 60.099 58.200 -0.079 0.000 0.999 348 S CB -0.249 62.901 63.200 -0.083 0.000 0.844 348 S HN 0.728 nan 8.310 nan 0.000 0.459 349 E N -0.598 119.553 120.200 -0.081 0.000 2.150 349 E HA -0.081 4.268 4.350 -0.001 0.000 0.193 349 E C 1.682 178.297 176.600 0.025 0.000 0.985 349 E CA 1.036 57.406 56.400 -0.051 0.000 0.814 349 E CB -0.207 29.436 29.700 -0.094 0.000 0.752 349 E HN 0.676 nan 8.360 nan 0.000 0.466 350 F N 1.758 121.660 119.950 -0.079 0.000 2.146 350 F HA -0.075 4.451 4.527 -0.001 0.000 0.298 350 F C 2.105 177.938 175.800 0.056 0.000 1.096 350 F CA 1.322 59.349 58.000 0.044 0.000 1.275 350 F CB 0.105 39.216 39.000 0.185 0.000 1.008 350 F HN -0.232 nan 8.300 nan 0.000 0.480 351 R N -0.060 120.470 120.500 0.050 0.000 2.092 351 R HA -0.174 4.166 4.340 -0.001 0.000 0.231 351 R C 2.151 178.398 176.300 -0.088 0.000 1.119 351 R CA 1.442 57.519 56.100 -0.039 0.000 0.970 351 R CB -0.466 29.873 30.300 0.066 0.000 0.864 351 R HN 0.321 nan 8.270 nan 0.000 0.440 352 E N 1.324 121.488 120.200 -0.060 0.000 2.031 352 E HA -0.159 4.191 4.350 -0.001 0.000 0.193 352 E C 1.809 178.359 176.600 -0.085 0.000 0.994 352 E CA 1.883 58.248 56.400 -0.059 0.000 0.800 352 E CB -0.290 29.384 29.700 -0.044 0.000 0.752 352 E HN 0.256 nan 8.360 nan 0.000 0.447 353 A N 0.897 123.654 122.820 -0.104 0.000 1.940 353 A HA -0.127 4.192 4.320 -0.001 0.000 0.219 353 A C 2.191 179.681 177.584 -0.157 0.000 1.176 353 A CA 1.435 53.407 52.037 -0.110 0.000 0.631 353 A CB -0.754 18.194 19.000 -0.087 0.000 0.814 353 A HN 0.393 nan 8.150 nan 0.000 0.446 354 L N -0.315 120.753 121.223 -0.257 0.000 1.971 354 L HA -0.199 4.141 4.340 -0.001 0.000 0.215 354 L C 2.864 179.657 176.870 -0.128 0.000 1.072 354 L CA 2.475 57.170 54.840 -0.243 0.000 0.758 354 L CB -1.484 40.395 42.059 -0.301 0.000 0.889 354 L HN 0.428 nan 8.230 nan 0.000 0.433 355 A N -2.288 120.473 122.820 -0.099 0.000 2.014 355 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 355 A C 2.441 179.994 177.584 -0.050 0.000 1.163 355 A CA 1.463 53.464 52.037 -0.060 0.000 0.652 355 A CB -0.542 18.432 19.000 -0.044 0.000 0.808 355 A HN 0.451 nan 8.150 nan 0.000 0.449 356 S N -0.604 115.062 115.700 -0.056 0.000 2.442 356 S HA -0.033 4.436 4.470 -0.001 0.000 0.236 356 S C 0.913 175.491 174.600 -0.037 0.000 1.007 356 S CA 0.963 59.138 58.200 -0.042 0.000 0.965 356 S CB -0.656 62.519 63.200 -0.041 0.000 0.773 356 S HN 0.668 nan 8.310 nan 0.000 0.504 357 V N 1.452 121.339 119.914 -0.045 0.000 2.385 357 V HA 0.550 4.669 4.120 -0.001 0.000 0.269 357 V C -0.187 175.888 176.094 -0.032 0.000 1.043 357 V CA -0.791 61.488 62.300 -0.035 0.000 0.906 357 V CB 0.832 32.633 31.823 -0.037 0.000 0.995 357 V HN 0.050 nan 8.190 nan 0.000 0.467 358 R N 4.014 124.499 120.500 -0.025 0.000 2.666 358 R HA 0.418 4.757 4.340 -0.001 0.000 0.275 358 R C -0.704 175.581 176.300 -0.024 0.000 1.266 358 R CA -0.221 55.865 56.100 -0.024 0.000 1.401 358 R CB 0.482 30.770 30.300 -0.020 0.000 1.145 358 R HN 0.804 nan 8.270 nan 0.000 0.581 359 C N 1.286 120.570 119.300 -0.028 0.000 2.463 359 C HA 0.205 4.664 4.460 -0.001 0.000 0.380 359 C C 1.042 176.010 174.990 -0.037 0.000 1.264 359 C CA -0.435 58.564 59.018 -0.032 0.000 2.161 359 C CB 0.755 28.474 27.740 -0.035 0.000 2.515 359 C HN 0.550 nan 8.230 nan 0.000 0.565 360 E N 1.543 121.718 120.200 -0.041 0.000 2.152 360 E HA 0.503 4.852 4.350 -0.001 0.000 0.285 360 E C -0.280 176.278 176.600 -0.070 0.000 1.043 360 E CA 0.111 56.482 56.400 -0.049 0.000 0.839 360 E CB 0.721 30.395 29.700 -0.043 0.000 1.069 360 E HN 0.755 nan 8.360 nan 0.000 0.399 361 A N 5.366 128.135 122.820 -0.084 0.000 2.290 361 A HA 0.675 4.994 4.320 -0.001 0.000 0.310 361 A C -0.312 177.181 177.584 -0.153 0.000 1.202 361 A CA -0.520 51.441 52.037 -0.127 0.000 0.837 361 A CB 0.569 19.488 19.000 -0.135 0.000 1.139 361 A HN 0.685 nan 8.150 nan 0.000 0.509 362 R N 0.336 120.724 120.500 -0.186 0.000 2.854 362 R HA 0.756 5.096 4.340 -0.001 0.000 0.271 362 R C -0.716 175.404 176.300 -0.299 0.000 0.994 362 R CA -0.529 55.453 56.100 -0.196 0.000 0.945 362 R CB 2.433 32.655 30.300 -0.130 0.000 1.194 362 R HN 0.818 nan 8.270 nan 0.000 0.476 363 T N -2.792 111.582 114.554 -0.300 0.000 2.906 363 T HA 0.185 4.534 4.350 -0.001 0.000 0.295 363 T C 0.924 175.550 174.700 -0.125 0.000 1.075 363 T CA -0.731 61.118 62.100 -0.418 0.000 1.005 363 T CB 1.720 70.114 68.868 -0.791 0.000 1.136 363 T HN 0.563 nan 8.240 nan 0.000 0.498 364 S N 0.572 116.261 115.700 -0.018 0.000 2.423 364 S HA 0.175 4.644 4.470 -0.001 0.000 0.231 364 S C 0.982 175.679 174.600 0.162 0.000 1.014 364 S CA 0.498 58.754 58.200 0.094 0.000 0.965 364 S CB -0.684 62.602 63.200 0.142 0.000 0.785 364 S HN 1.432 nan 8.310 nan 0.000 0.495 365 S N -0.933 114.948 115.700 0.301 0.000 2.672 365 S HA 0.704 5.173 4.470 -0.001 0.000 0.271 365 S C -0.101 174.723 174.600 0.373 0.000 1.171 365 S CA -0.521 57.830 58.200 0.252 0.000 0.817 365 S CB 0.766 64.075 63.200 0.181 0.000 1.150 365 S HN 1.593 nan 8.310 nan 0.000 0.478 366 A N 0.547 123.496 122.820 0.216 0.000 2.466 366 A HA -0.134 4.186 4.320 -0.001 0.000 0.295 366 A C 1.308 179.052 177.584 0.267 0.000 1.465 366 A CA 0.862 53.019 52.037 0.200 0.000 0.744 366 A CB -2.550 16.513 19.000 0.104 0.000 1.098 366 A HN 1.357 nan 8.150 nan 0.000 0.402 367 S N -0.518 115.264 115.700 0.137 0.000 2.442 367 S HA -0.013 4.456 4.470 -0.001 0.000 0.236 367 S C 2.225 176.828 174.600 0.006 0.000 1.007 367 S CA 1.494 59.725 58.200 0.051 0.000 0.965 367 S CB -0.228 62.979 63.200 0.011 0.000 0.773 367 S HN 1.705 nan 8.310 nan 0.000 0.504 368 A N 0.781 123.604 122.820 0.004 0.000 2.070 368 A HA 0.244 4.564 4.320 -0.001 0.000 0.220 368 A C 1.944 179.438 177.584 -0.151 0.000 1.159 368 A CA 1.388 53.395 52.037 -0.049 0.000 0.656 368 A CB -0.430 18.550 19.000 -0.033 0.000 0.800 368 A HN 0.504 nan 8.150 nan 0.000 0.453 369 A N -1.306 121.436 122.820 -0.131 0.000 2.390 369 A HA 0.621 4.940 4.320 -0.001 0.000 0.232 369 A C 1.948 179.406 177.584 -0.210 0.000 1.233 369 A CA 0.925 52.717 52.037 -0.409 0.000 0.907 369 A CB -0.437 18.451 19.000 -0.187 0.000 0.967 369 A HN 0.778 nan 8.150 nan 0.000 0.512 370 A N 0.395 123.152 122.820 -0.105 0.000 1.940 370 A HA 0.090 4.409 4.320 -0.001 0.000 0.219 370 A C 2.345 179.862 177.584 -0.112 0.000 1.176 370 A CA 1.890 53.820 52.037 -0.179 0.000 0.631 370 A CB -0.757 18.121 19.000 -0.203 0.000 0.814 370 A HN 1.116 nan 8.150 nan 0.000 0.446 371 A N -0.866 121.898 122.820 -0.093 0.000 2.070 371 A HA -0.184 4.135 4.320 -0.001 0.000 0.220 371 A C 1.749 179.411 177.584 0.131 0.000 1.159 371 A CA 1.455 53.496 52.037 0.007 0.000 0.656 371 A CB -1.053 17.965 19.000 0.031 0.000 0.800 371 A HN 0.804 nan 8.150 nan 0.000 0.453 372 H N -0.838 118.251 119.070 0.030 0.000 2.521 372 H HA 0.071 4.626 4.556 -0.001 0.000 0.286 372 H C 1.542 176.912 175.328 0.070 0.000 1.034 372 H CA 0.600 56.676 56.048 0.047 0.000 1.278 372 H CB -0.049 29.744 29.762 0.051 0.000 1.386 372 H HN 0.410 nan 8.280 nan 0.000 0.567 373 L N 0.601 121.920 121.223 0.161 0.000 2.313 373 L HA -0.047 4.293 4.340 -0.001 0.000 0.214 373 L C 1.615 178.514 176.870 0.048 0.000 1.119 373 L CA 0.501 55.396 54.840 0.092 0.000 0.809 373 L CB 0.347 42.405 42.059 -0.002 0.000 0.933 373 L HN 0.252 nan 8.230 nan 0.000 0.449 374 V N -4.943 114.995 119.914 0.041 0.000 3.252 374 V HA 0.172 4.292 4.120 -0.001 0.000 0.320 374 V C 0.870 176.978 176.094 0.023 0.000 1.459 374 V CA 0.081 62.391 62.300 0.016 0.000 1.095 374 V CB 0.067 31.886 31.823 -0.007 0.000 0.997 374 V HN 0.305 nan 8.190 nan 0.000 0.469 375 D N 1.039 121.465 120.400 0.044 0.000 2.340 375 D HA 0.197 4.836 4.640 -0.001 0.000 0.220 375 D C 1.721 178.034 176.300 0.022 0.000 1.039 375 D CA 0.738 54.759 54.000 0.034 0.000 0.866 375 D CB 0.117 40.944 40.800 0.045 0.000 0.913 375 D HN 0.980 nan 8.370 nan 0.000 0.523 376 G N 0.514 109.328 108.800 0.023 0.000 2.153 376 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.252 376 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.252 376 G C -0.050 174.864 174.900 0.023 0.000 0.994 376 G CA 0.164 45.275 45.100 0.019 0.000 0.698 376 G HN 0.588 nan 8.290 nan 0.000 0.521 377 N N 0.246 118.961 118.700 0.025 0.000 2.469 377 N HA 0.318 5.058 4.740 -0.001 0.000 0.253 377 N C 1.676 177.210 175.510 0.039 0.000 0.970 377 N CA -0.494 52.568 53.050 0.020 0.000 0.940 377 N CB 0.643 39.126 38.487 -0.008 0.000 1.128 377 N HN 0.519 nan 8.380 nan 0.000 0.503 378 R N 2.000 122.529 120.500 0.048 0.000 2.237 378 R HA 0.017 4.357 4.340 -0.001 0.000 0.219 378 R C -0.415 175.947 176.300 0.102 0.000 1.080 378 R CA 1.082 57.223 56.100 0.069 0.000 0.995 378 R CB 0.101 30.444 30.300 0.071 0.000 0.875 378 R HN 0.319 nan 8.270 nan 0.000 0.462 379 D N 1.390 121.837 120.400 0.078 0.000 2.339 379 D HA 0.001 4.640 4.640 -0.001 0.000 0.217 379 D C 0.083 176.431 176.300 0.079 0.000 1.050 379 D CA 0.750 54.809 54.000 0.098 0.000 0.856 379 D CB 0.759 41.589 40.800 0.051 0.000 0.922 379 D HN 0.405 nan 8.370 nan 0.000 0.518 380 T N -1.008 113.561 114.554 0.024 0.000 2.863 380 T HA 0.643 4.993 4.350 -0.001 0.000 0.285 380 T C -0.408 174.352 174.700 0.099 0.000 1.009 380 T CA -0.943 61.047 62.100 -0.184 0.000 0.989 380 T CB 1.754 70.315 68.868 -0.513 0.000 1.004 380 T HN 0.005 nan 8.240 nan 0.000 0.455 381 F N -0.829 119.208 119.950 0.145 0.000 2.662 381 F HA 0.824 5.351 4.527 -0.001 0.000 0.312 381 F C -1.621 174.398 175.800 0.365 0.000 1.113 381 F CA -2.163 55.984 58.000 0.246 0.000 0.951 381 F CB 0.968 40.057 39.000 0.150 0.000 1.344 381 F HN 0.838 nan 8.300 nan 0.000 0.462 382 W N 3.567 125.083 121.300 0.361 0.000 2.469 382 W HA 0.742 5.402 4.660 -0.001 0.000 0.320 382 W C -1.072 175.622 176.519 0.292 0.000 1.086 382 W CA -1.073 56.393 57.345 0.201 0.000 1.211 382 W CB 1.333 30.843 29.460 0.084 0.000 1.298 382 W HN 0.846 nan 8.180 nan 0.000 0.525 383 R N 7.928 128.042 120.500 -0.644 0.000 2.538 383 R HA 0.455 4.795 4.340 -0.001 0.000 0.292 383 R C -2.611 172.985 176.300 -1.173 0.000 1.008 383 R CA -1.872 53.779 56.100 -0.748 0.000 0.896 383 R CB 2.116 32.319 30.300 -0.163 0.000 1.187 383 R HN 0.269 nan 8.270 nan 0.000 0.440 384 P HA 0.080 nan 4.420 nan 0.000 0.274 384 P C -0.863 176.262 177.300 -0.292 0.000 1.231 384 P CA -0.232 62.451 63.100 -0.695 0.000 0.790 384 P CB 0.680 32.141 31.700 -0.397 0.000 0.951 385 D N 0.559 120.886 120.400 -0.122 0.000 2.390 385 D HA 0.051 4.690 4.640 -0.001 0.000 0.236 385 D C 1.579 177.848 176.300 -0.052 0.000 1.189 385 D CA 0.181 54.142 54.000 -0.064 0.000 0.887 385 D CB 0.358 41.153 40.800 -0.009 0.000 1.198 385 D HN 0.340 nan 8.370 nan 0.000 0.444 386 A N 1.965 124.763 122.820 -0.038 0.000 1.940 386 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 386 A C 1.280 178.860 177.584 -0.007 0.000 1.176 386 A CA 1.829 53.852 52.037 -0.024 0.000 0.631 386 A CB -0.301 18.689 19.000 -0.017 0.000 0.814 386 A HN 0.640 nan 8.150 nan 0.000 0.446 387 D N -0.520 119.881 120.400 0.002 0.000 2.325 387 D HA 0.042 4.681 4.640 -0.001 0.000 0.225 387 D C -0.200 176.114 176.300 0.024 0.000 1.096 387 D CA -0.173 53.835 54.000 0.013 0.000 0.844 387 D CB -0.372 40.436 40.800 0.013 0.000 0.925 387 D HN 0.221 nan 8.370 nan 0.000 0.513 388 D N 0.688 121.105 120.400 0.027 0.000 2.352 388 D HA 0.268 4.907 4.640 -0.001 0.000 0.245 388 D C 0.981 177.313 176.300 0.055 0.000 1.224 388 D CA -0.245 53.786 54.000 0.052 0.000 0.879 388 D CB 1.286 42.128 40.800 0.070 0.000 1.057 388 D HN 0.098 nan 8.370 nan 0.000 0.491 389 A N 3.384 126.238 122.820 0.056 0.000 2.067 389 A HA 0.274 4.594 4.320 -0.001 0.000 0.217 389 A C 1.108 178.736 177.584 0.074 0.000 1.156 389 A CA 0.893 52.963 52.037 0.056 0.000 0.683 389 A CB 0.261 19.288 19.000 0.046 0.000 0.808 389 A HN 0.569 nan 8.150 nan 0.000 0.455 390 A N 0.407 123.284 122.820 0.095 0.000 3.082 390 A HA 0.600 4.920 4.320 -0.001 0.000 0.328 390 A C -3.029 174.650 177.584 0.158 0.000 1.089 390 A CA -1.269 50.842 52.037 0.122 0.000 0.802 390 A CB 0.201 19.272 19.000 0.117 0.000 1.138 390 A HN 0.101 nan 8.150 nan 0.000 0.474 391 P HA 0.414 nan 4.420 nan 0.000 0.267 391 P C -0.139 177.309 177.300 0.248 0.000 1.209 391 P CA 0.503 63.771 63.100 0.280 0.000 0.763 391 P CB 1.283 33.137 31.700 0.256 0.000 0.816 392 A N 3.775 126.709 122.820 0.190 0.000 2.574 392 A HA 0.739 5.058 4.320 -0.001 0.000 0.297 392 A C -1.265 176.169 177.584 -0.250 0.000 1.062 392 A CA -0.555 51.448 52.037 -0.056 0.000 0.686 392 A CB 1.123 20.040 19.000 -0.139 0.000 1.285 392 A HN 0.412 nan 8.150 nan 0.000 0.403 393 I N 1.279 121.657 120.570 -0.319 0.000 2.436 393 I HA 0.446 4.616 4.170 -0.001 0.000 0.289 393 I C -0.417 175.528 176.117 -0.288 0.000 1.010 393 I CA -0.290 60.770 61.300 -0.400 0.000 1.098 393 I CB 2.559 40.338 38.000 -0.369 0.000 1.266 393 I HN 0.581 nan 8.210 nan 0.000 0.434 394 T N 7.206 121.608 114.554 -0.253 0.000 2.786 394 T HA 0.554 4.903 4.350 -0.001 0.000 0.283 394 T C -0.318 174.295 174.700 -0.144 0.000 0.992 394 T CA -0.442 61.550 62.100 -0.180 0.000 0.954 394 T CB 0.823 69.603 68.868 -0.146 0.000 0.934 394 T HN 0.262 nan 8.240 nan 0.000 0.440 395 L N 3.602 124.759 121.223 -0.109 0.000 2.280 395 L HA 0.447 4.786 4.340 -0.001 0.000 0.287 395 L C 0.341 177.177 176.870 -0.056 0.000 1.023 395 L CA -0.713 54.079 54.840 -0.080 0.000 0.819 395 L CB 1.099 43.122 42.059 -0.060 0.000 1.212 395 L HN 0.535 nan 8.230 nan 0.000 0.420 396 T N 4.329 118.851 114.554 -0.052 0.000 2.767 396 T HA 0.424 4.773 4.350 -0.001 0.000 0.284 396 T C 0.103 174.786 174.700 -0.028 0.000 0.973 396 T CA -0.544 61.533 62.100 -0.038 0.000 0.996 396 T CB 1.193 70.037 68.868 -0.039 0.000 0.927 396 T HN 0.149 nan 8.240 nan 0.000 0.456 397 L N 5.373 126.585 121.223 -0.018 0.000 2.395 397 L HA 0.282 4.622 4.340 -0.001 0.000 0.269 397 L C -1.058 175.805 176.870 -0.013 0.000 1.133 397 L CA -2.067 52.765 54.840 -0.013 0.000 0.812 397 L CB 0.480 42.536 42.059 -0.004 0.000 1.125 397 L HN 0.411 nan 8.230 nan 0.000 0.452 398 P HA -0.141 nan 4.420 nan 0.000 0.216 398 P C -0.329 176.966 177.300 -0.009 0.000 1.150 398 P CA 1.159 64.252 63.100 -0.012 0.000 0.843 398 P CB 0.356 32.049 31.700 -0.012 0.000 0.787 399 Q N -3.849 115.948 119.800 -0.006 0.000 2.630 399 Q HA 0.506 4.846 4.340 -0.001 0.000 0.295 399 Q C -3.216 172.784 176.000 0.000 0.000 0.944 399 Q CA -2.511 53.290 55.803 -0.003 0.000 0.766 399 Q CB 0.390 29.126 28.738 -0.003 0.000 1.471 399 Q HN -0.315 nan 8.270 nan 0.000 0.416 400 P HA 0.021 nan 4.420 nan 0.000 0.261 400 P C -0.858 176.448 177.300 0.011 0.000 1.183 400 P CA 0.697 63.801 63.100 0.007 0.000 0.761 400 P CB 0.489 32.194 31.700 0.007 0.000 0.785 401 T N 0.196 114.760 114.554 0.017 0.000 2.900 401 T HA 0.430 4.779 4.350 -0.001 0.000 0.303 401 T C -0.550 174.171 174.700 0.035 0.000 1.142 401 T CA -0.652 61.460 62.100 0.020 0.000 1.007 401 T CB 0.841 69.717 68.868 0.014 0.000 1.156 401 T HN 0.064 nan 8.240 nan 0.000 0.490 402 T N 3.904 118.479 114.554 0.035 0.000 2.832 402 T HA 0.574 4.924 4.350 -0.001 0.000 0.296 402 T C 0.301 175.036 174.700 0.057 0.000 0.968 402 T CA -0.313 61.817 62.100 0.050 0.000 1.107 402 T CB -0.360 68.532 68.868 0.040 0.000 0.916 402 T HN 0.754 nan 8.240 nan 0.000 0.517 403 I N 0.577 121.204 120.570 0.095 0.000 3.042 403 I HA 0.735 4.904 4.170 -0.001 0.000 0.310 403 I C -0.216 175.938 176.117 0.062 0.000 1.117 403 I CA -1.222 60.130 61.300 0.088 0.000 1.003 403 I CB 2.432 40.518 38.000 0.143 0.000 1.228 403 I HN 0.488 nan 8.210 nan 0.000 0.443 404 N N 1.788 120.378 118.700 -0.183 0.000 2.110 404 N HA 0.558 5.297 4.740 -0.001 0.000 0.230 404 N C -0.773 174.050 175.510 -1.145 0.000 1.353 404 N CA 0.097 52.787 53.050 -0.600 0.000 0.807 404 N CB 1.168 39.506 38.487 -0.248 0.000 1.244 404 N HN 1.007 nan 8.380 nan 0.000 0.504 405 A N 0.101 122.451 122.820 -0.783 0.000 2.612 405 A HA 0.734 5.054 4.320 -0.001 0.000 0.293 405 A C -1.589 175.988 177.584 -0.011 0.000 1.075 405 A CA -0.812 50.934 52.037 -0.485 0.000 0.680 405 A CB 0.901 19.814 19.000 -0.145 0.000 1.279 405 A HN 0.371 nan 8.150 nan 0.000 0.411 406 I N -1.615 119.047 120.570 0.154 0.000 2.846 406 I HA 0.889 5.059 4.170 -0.001 0.000 0.307 406 I C -0.891 175.289 176.117 0.105 0.000 1.053 406 I CA -1.045 60.349 61.300 0.157 0.000 1.050 406 I CB 2.032 40.148 38.000 0.193 0.000 1.239 406 I HN 0.319 nan 8.210 nan 0.000 0.439 407 V N 5.486 125.446 119.914 0.076 0.000 2.540 407 V HA 0.613 4.733 4.120 -0.001 0.000 0.302 407 V C -0.477 175.632 176.094 0.025 0.000 1.035 407 V CA -0.461 61.876 62.300 0.062 0.000 0.873 407 V CB 1.552 33.426 31.823 0.084 0.000 0.992 407 V HN 0.826 nan 8.190 nan 0.000 0.428 408 I N 3.212 123.784 120.570 0.004 0.000 2.686 408 I HA 0.664 4.834 4.170 -0.001 0.000 0.295 408 I C -1.016 175.081 176.117 -0.034 0.000 1.114 408 I CA -0.207 61.092 61.300 -0.003 0.000 1.038 408 I CB 2.487 40.493 38.000 0.010 0.000 1.238 408 I HN 0.718 nan 8.210 nan 0.000 0.420 409 E N 5.683 125.865 120.200 -0.031 0.000 2.256 409 E HA 0.362 4.712 4.350 -0.001 0.000 0.268 409 E C -1.484 175.109 176.600 -0.013 0.000 0.877 409 E CA -0.751 55.602 56.400 -0.078 0.000 0.757 409 E CB 2.235 31.842 29.700 -0.156 0.000 1.183 409 E HN 0.526 nan 8.360 nan 0.000 0.418 410 E N 0.941 121.138 120.200 -0.005 0.000 2.319 410 E HA 0.386 4.736 4.350 -0.001 0.000 0.268 410 E C -0.565 176.054 176.600 0.031 0.000 1.050 410 E CA -0.661 55.756 56.400 0.029 0.000 0.878 410 E CB 1.256 30.984 29.700 0.047 0.000 1.066 410 E HN 0.503 nan 8.360 nan 0.000 0.406 411 A N 3.507 126.325 122.820 -0.003 0.000 2.981 411 A HA 0.088 4.407 4.320 -0.001 0.000 0.280 411 A C 1.081 178.661 177.584 -0.007 0.000 1.743 411 A CA -0.064 51.970 52.037 -0.005 0.000 1.430 411 A CB -1.242 17.672 19.000 -0.143 0.000 1.085 411 A HN 0.696 nan 8.150 nan 0.000 0.597 412 I N -0.384 120.217 120.570 0.051 0.000 2.916 412 I HA -0.190 3.980 4.170 -0.001 0.000 0.267 412 I C 1.757 177.773 176.117 -0.168 0.000 1.263 412 I CA 1.510 62.849 61.300 0.066 0.000 1.471 412 I CB -0.394 37.773 38.000 0.277 0.000 1.089 412 I HN 0.713 nan 8.210 nan 0.000 0.468 413 E N 1.105 121.180 120.200 -0.210 0.000 2.267 413 E HA -0.253 4.096 4.350 -0.001 0.000 0.197 413 E C 1.251 177.534 176.600 -0.528 0.000 0.998 413 E CA 1.411 57.573 56.400 -0.396 0.000 0.830 413 E CB -0.575 28.891 29.700 -0.391 0.000 0.751 413 E HN 0.680 nan 8.360 nan 0.000 0.491 414 H N 0.414 119.376 119.070 -0.179 0.000 2.549 414 H HA 0.367 4.922 4.556 -0.001 0.000 0.279 414 H C 0.874 176.129 175.328 -0.122 0.000 1.018 414 H CA 0.579 56.527 56.048 -0.167 0.000 1.175 414 H CB 1.042 30.672 29.762 -0.221 0.000 1.485 414 H HN 0.344 nan 8.280 nan 0.000 0.543 415 G N 0.872 109.655 108.800 -0.029 0.000 2.408 415 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.682 415 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.682 415 G C -1.272 173.807 174.900 0.298 0.000 1.303 415 G CA -0.928 44.253 45.100 0.135 0.000 0.966 415 G HN 0.254 nan 8.290 nan 0.000 0.560 416 Q N -0.468 119.600 119.800 0.447 0.000 2.325 416 Q HA 0.720 5.060 4.340 -0.001 0.000 0.270 416 Q C 0.764 176.994 176.000 0.383 0.000 1.020 416 Q CA -0.816 55.217 55.803 0.383 0.000 0.785 416 Q CB 1.045 30.021 28.738 0.397 0.000 1.259 416 Q HN 0.608 nan 8.270 nan 0.000 0.452 417 R N 2.887 123.543 120.500 0.260 0.000 2.470 417 R HA 0.327 4.667 4.340 -0.001 0.000 0.210 417 R C 0.208 176.660 176.300 0.253 0.000 0.873 417 R CA -0.244 56.012 56.100 0.260 0.000 1.015 417 R CB 0.667 31.053 30.300 0.142 0.000 1.348 417 R HN 0.535 nan 8.270 nan 0.000 0.650 418 I N 2.151 122.803 120.570 0.136 0.000 2.648 418 I HA -0.071 4.098 4.170 -0.001 0.000 0.284 418 I C 0.894 177.076 176.117 0.108 0.000 1.153 418 I CA 0.920 62.280 61.300 0.099 0.000 1.426 418 I CB 0.801 38.822 38.000 0.035 0.000 1.381 418 I HN 0.229 nan 8.210 nan 0.000 0.571 419 E N 3.257 123.568 120.200 0.185 0.000 2.474 419 E HA 0.153 4.503 4.350 -0.001 0.000 0.215 419 E C -0.092 176.651 176.600 0.237 0.000 0.867 419 E CA 0.028 56.583 56.400 0.259 0.000 1.135 419 E CB 0.881 30.780 29.700 0.331 0.000 1.147 419 E HN 0.494 nan 8.360 nan 0.000 0.534 420 H N 0.107 119.226 119.070 0.082 0.000 3.087 420 H HA 0.348 4.904 4.556 -0.001 0.000 0.348 420 H C -2.028 173.338 175.328 0.063 0.000 1.092 420 H CA -0.692 55.394 56.048 0.062 0.000 1.285 420 H CB 1.908 31.709 29.762 0.065 0.000 1.875 420 H HN -0.016 nan 8.280 nan 0.000 0.512 421 L N 5.170 126.124 121.223 -0.448 0.000 2.381 421 L HA 0.491 4.830 4.340 -0.001 0.000 0.274 421 L C -0.829 175.853 176.870 -0.313 0.000 0.988 421 L CA -0.482 54.224 54.840 -0.224 0.000 0.824 421 L CB 1.515 43.502 42.059 -0.120 0.000 1.263 421 L HN 0.671 nan 8.230 nan 0.000 0.410 422 R N 4.314 124.777 120.500 -0.061 0.000 2.494 422 R HA 0.815 5.154 4.340 -0.001 0.000 0.305 422 R C -1.925 174.434 176.300 0.099 0.000 0.959 422 R CA -0.606 55.496 56.100 0.003 0.000 0.864 422 R CB 1.743 32.082 30.300 0.066 0.000 1.159 422 R HN 0.516 nan 8.270 nan 0.000 0.446 423 V N 3.797 123.726 119.914 0.026 0.000 2.495 423 V HA 0.453 4.573 4.120 -0.001 0.000 0.298 423 V C -0.016 176.055 176.094 -0.038 0.000 1.031 423 V CA -0.608 61.699 62.300 0.011 0.000 0.871 423 V CB 1.694 33.475 31.823 -0.069 0.000 0.988 423 V HN 1.008 nan 8.190 nan 0.000 0.432 424 T N 1.110 115.681 114.554 0.028 0.000 2.924 424 T HA 0.864 5.213 4.350 -0.001 0.000 0.291 424 T C -0.110 174.558 174.700 -0.054 0.000 1.045 424 T CA -0.593 61.500 62.100 -0.012 0.000 1.015 424 T CB 2.112 71.034 68.868 0.090 0.000 1.103 424 T HN 0.975 nan 8.240 nan 0.000 0.496 425 G N -0.271 108.485 108.800 -0.073 0.000 2.542 425 G HA2 0.670 4.630 3.960 -0.001 0.000 0.311 425 G HA3 0.670 4.630 3.960 -0.001 0.000 0.311 425 G C -0.788 174.095 174.900 -0.027 0.000 1.298 425 G CA -0.954 44.111 45.100 -0.058 0.000 0.973 425 G HN 1.083 nan 8.290 nan 0.000 0.487 426 A N 1.946 124.757 122.820 -0.016 0.000 2.252 426 A HA 0.678 4.998 4.320 -0.001 0.000 0.309 426 A C -0.243 177.338 177.584 -0.005 0.000 1.285 426 A CA -0.366 51.666 52.037 -0.008 0.000 0.900 426 A CB 0.420 19.416 19.000 -0.007 0.000 1.157 426 A HN 0.516 nan 8.150 nan 0.000 0.536 427 L N 3.858 125.079 121.223 -0.003 0.000 2.439 427 L HA 0.381 4.720 4.340 -0.001 0.000 0.261 427 L C -1.309 175.563 176.870 0.002 0.000 1.153 427 L CA -1.419 53.423 54.840 0.002 0.000 0.808 427 L CB 0.314 42.375 42.059 0.003 0.000 1.126 427 L HN 0.424 nan 8.230 nan 0.000 0.460 428 P HA -0.140 nan 4.420 nan 0.000 0.218 428 P C 0.609 177.910 177.300 0.002 0.000 1.148 428 P CA 1.020 64.122 63.100 0.003 0.000 0.822 428 P CB 0.079 31.781 31.700 0.005 0.000 0.784 429 D N -1.524 118.878 120.400 0.003 0.000 2.371 429 D HA 0.000 4.640 4.640 -0.001 0.000 0.221 429 D C 1.479 177.779 176.300 0.001 0.000 0.986 429 D CA 1.059 55.061 54.000 0.002 0.000 0.899 429 D CB -0.947 39.855 40.800 0.003 0.000 0.902 429 D HN 0.260 nan 8.370 nan 0.000 0.530 430 G N -0.399 108.402 108.800 0.000 0.000 2.195 430 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.224 430 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.224 430 G C 0.515 175.415 174.900 -0.001 0.000 0.990 430 G CA 0.399 45.499 45.100 -0.000 0.000 0.639 430 G HN 0.807 nan 8.290 nan 0.000 0.514 431 T N -1.453 113.101 114.554 -0.001 0.000 2.849 431 T HA 0.619 4.968 4.350 -0.001 0.000 0.284 431 T C -0.007 174.691 174.700 -0.004 0.000 1.004 431 T CA 0.311 62.410 62.100 -0.002 0.000 1.021 431 T CB 2.498 71.364 68.868 -0.002 0.000 1.013 431 T HN 0.554 nan 8.240 nan 0.000 0.527 432 E N 0.116 120.312 120.200 -0.007 0.000 2.207 432 E HA 0.464 4.814 4.350 -0.001 0.000 0.270 432 E C -0.703 175.885 176.600 -0.019 0.000 0.927 432 E CA -1.069 55.324 56.400 -0.010 0.000 0.799 432 E CB 1.442 31.138 29.700 -0.006 0.000 1.172 432 E HN 0.673 nan 8.360 nan 0.000 0.404 433 R N 3.005 123.485 120.500 -0.032 0.000 2.670 433 R HA 0.375 4.714 4.340 -0.001 0.000 0.289 433 R C -1.442 174.815 176.300 -0.072 0.000 0.965 433 R CA -0.736 55.336 56.100 -0.047 0.000 0.899 433 R CB 1.777 32.047 30.300 -0.050 0.000 1.173 433 R HN 0.378 nan 8.270 nan 0.000 0.456 434 V N 6.839 126.712 119.914 -0.069 0.000 2.405 434 V HA 0.065 4.184 4.120 -0.001 0.000 0.264 434 V C 1.425 177.435 176.094 -0.141 0.000 1.048 434 V CA 0.026 62.274 62.300 -0.087 0.000 0.966 434 V CB 0.868 32.657 31.823 -0.055 0.000 1.015 434 V HN 0.811 nan 8.190 nan 0.000 0.477 435 L N 4.026 125.095 121.223 -0.255 0.000 2.049 435 L HA 0.367 4.707 4.340 -0.001 0.000 0.203 435 L C 1.197 177.877 176.870 -0.317 0.000 1.074 435 L CA 1.312 55.847 54.840 -0.508 0.000 0.749 435 L CB -0.261 41.155 42.059 -1.072 0.000 0.907 435 L HN 0.803 nan 8.230 nan 0.000 0.439 436 G N -1.360 107.327 108.800 -0.189 0.000 2.441 436 G HA2 0.522 4.481 3.960 -0.001 0.000 0.294 436 G HA3 0.522 4.481 3.960 -0.001 0.000 0.294 436 G C -1.994 172.889 174.900 -0.027 0.000 1.393 436 G CA -0.522 44.559 45.100 -0.033 0.000 0.796 436 G HN -0.002 nan 8.290 nan 0.000 0.494 437 Q N -1.386 118.409 119.800 -0.008 0.000 2.416 437 Q HA 0.817 5.156 4.340 -0.001 0.000 0.281 437 Q C -0.459 175.488 176.000 -0.087 0.000 1.067 437 Q CA -0.283 55.476 55.803 -0.074 0.000 0.809 437 Q CB 2.607 31.339 28.738 -0.009 0.000 1.418 437 Q HN 1.359 nan 8.270 nan 0.000 0.411 438 A N -0.143 122.554 122.820 -0.205 0.000 2.594 438 A HA 0.894 5.213 4.320 -0.001 0.000 0.291 438 A C -0.140 177.337 177.584 -0.178 0.000 1.105 438 A CA -0.037 51.919 52.037 -0.135 0.000 0.694 438 A CB 1.259 20.203 19.000 -0.093 0.000 1.291 438 A HN 0.723 nan 8.150 nan 0.000 0.410 439 G N -0.473 108.281 108.800 -0.076 0.000 2.756 439 G HA2 0.435 4.394 3.960 -0.001 0.000 0.203 439 G HA3 0.435 4.394 3.960 -0.001 0.000 0.203 439 G C 0.719 175.550 174.900 -0.116 0.000 2.015 439 G CA 0.821 45.907 45.100 -0.023 0.000 0.835 439 G HN 1.450 nan 8.290 nan 0.000 0.648 440 T N -1.060 113.347 114.554 -0.245 0.000 2.856 440 T HA 0.398 4.748 4.350 -0.001 0.000 0.306 440 T C 0.827 175.364 174.700 -0.270 0.000 1.062 440 T CA -0.026 61.814 62.100 -0.433 0.000 1.083 440 T CB 1.811 70.218 68.868 -0.768 0.000 0.984 440 T HN 0.071 nan 8.240 nan 0.000 0.542 441 V N 1.592 121.359 119.914 -0.244 0.000 3.097 441 V HA 0.508 4.627 4.120 -0.001 0.000 0.223 441 V C 2.002 178.025 176.094 -0.118 0.000 1.199 441 V CA 0.955 63.171 62.300 -0.140 0.000 1.260 441 V CB -1.065 30.713 31.823 -0.074 0.000 1.155 441 V HN 1.480 nan 8.190 nan 0.000 0.509 442 G N -0.094 108.657 108.800 -0.083 0.000 2.550 442 G HA2 -0.451 3.509 3.960 -0.001 0.000 0.277 442 G HA3 -0.451 3.509 3.960 -0.001 0.000 0.277 442 G C 0.592 175.549 174.900 0.095 0.000 1.190 442 G CA 1.252 46.366 45.100 0.023 0.000 0.971 442 G HN 0.524 nan 8.290 nan 0.000 0.559 443 Y N 2.235 122.553 120.300 0.031 0.000 2.165 443 Y HA 0.137 4.687 4.550 -0.001 0.000 0.286 443 Y C 1.675 177.570 175.900 -0.008 0.000 1.155 443 Y CA 2.791 60.913 58.100 0.035 0.000 1.164 443 Y CB 0.077 38.553 38.460 0.026 0.000 0.978 443 Y HN 0.748 nan 8.280 nan 0.000 0.513 444 R N 0.073 120.549 120.500 -0.040 0.000 2.579 444 R HA 0.356 4.696 4.340 -0.001 0.000 0.260 444 R C -2.046 174.199 176.300 -0.092 0.000 1.103 444 R CA -0.900 55.120 56.100 -0.134 0.000 0.942 444 R CB 1.161 31.354 30.300 -0.177 0.000 1.251 444 R HN 0.065 nan 8.270 nan 0.000 0.450 445 R N 4.910 125.359 120.500 -0.086 0.000 2.393 445 R HA 0.476 4.815 4.340 -0.001 0.000 0.315 445 R C -1.301 174.967 176.300 -0.054 0.000 0.952 445 R CA -0.376 55.675 56.100 -0.081 0.000 0.842 445 R CB 0.997 31.255 30.300 -0.070 0.000 1.163 445 R HN 0.578 nan 8.270 nan 0.000 0.450 446 I N 5.920 126.447 120.570 -0.072 0.000 2.328 446 I HA 0.280 4.450 4.170 -0.001 0.000 0.287 446 I C -0.855 175.242 176.117 -0.033 0.000 1.012 446 I CA -1.099 60.183 61.300 -0.030 0.000 1.195 446 I CB 1.430 39.383 38.000 -0.079 0.000 1.350 446 I HN 0.425 nan 8.210 nan 0.000 0.464 447 L N 8.312 129.547 121.223 0.019 0.000 2.287 447 L HA 0.523 4.863 4.340 -0.001 0.000 0.287 447 L C -0.326 176.570 176.870 0.043 0.000 1.022 447 L CA -0.084 54.787 54.840 0.052 0.000 0.814 447 L CB 0.717 42.840 42.059 0.108 0.000 1.217 447 L HN 0.476 nan 8.230 nan 0.000 0.420 448 R N 5.005 125.499 120.500 -0.011 0.000 2.604 448 R HA 0.802 5.142 4.340 -0.001 0.000 0.287 448 R C -1.234 175.043 176.300 -0.038 0.000 0.970 448 R CA -0.450 55.546 56.100 -0.173 0.000 0.946 448 R CB 1.556 31.779 30.300 -0.130 0.000 1.127 448 R HN 0.650 nan 8.270 nan 0.000 0.473 449 F N -2.247 117.715 119.950 0.020 0.000 2.779 449 F HA 0.329 4.856 4.527 -0.001 0.000 0.316 449 F C -0.838 174.976 175.800 0.022 0.000 1.164 449 F CA -1.732 56.279 58.000 0.018 0.000 0.924 449 F CB 0.376 39.386 39.000 0.016 0.000 1.348 449 F HN 0.240 nan 8.300 nan 0.000 0.467 450 D N 1.388 121.968 120.400 0.299 0.000 2.458 450 D HA 0.103 4.743 4.640 -0.001 0.000 0.243 450 D C -0.668 175.768 176.300 0.226 0.000 1.146 450 D CA 0.441 54.550 54.000 0.182 0.000 0.877 450 D CB 0.321 41.205 40.800 0.140 0.000 1.176 450 D HN 0.484 nan 8.370 nan 0.000 0.461 451 D N 1.360 121.828 120.400 0.113 0.000 2.583 451 D HA 0.182 4.821 4.640 -0.001 0.000 0.232 451 D C -0.342 176.038 176.300 0.133 0.000 1.128 451 D CA 0.489 54.550 54.000 0.102 0.000 0.859 451 D CB 0.642 41.475 40.800 0.055 0.000 1.169 451 D HN 0.060 nan 8.370 nan 0.000 0.481 452 V N 1.831 121.838 119.914 0.154 0.000 3.000 452 V HA 0.206 4.325 4.120 -0.001 0.000 0.300 452 V C -1.311 174.842 176.094 0.098 0.000 1.251 452 V CA -0.863 61.508 62.300 0.119 0.000 0.972 452 V CB 2.211 34.108 31.823 0.123 0.000 1.065 452 V HN 0.559 nan 8.190 nan 0.000 0.431 453 E N 4.330 124.568 120.200 0.062 0.000 2.152 453 E HA 0.592 4.941 4.350 -0.001 0.000 0.285 453 E C -0.692 175.931 176.600 0.039 0.000 1.043 453 E CA -0.369 56.059 56.400 0.047 0.000 0.839 453 E CB 1.465 31.184 29.700 0.032 0.000 1.069 453 E HN 0.850 nan 8.360 nan 0.000 0.399 454 V N 1.283 121.221 119.914 0.039 0.000 3.046 454 V HA 0.452 4.572 4.120 -0.001 0.000 0.316 454 V C 0.418 176.521 176.094 0.016 0.000 1.104 454 V CA -0.510 61.805 62.300 0.025 0.000 1.006 454 V CB 1.847 33.686 31.823 0.027 0.000 1.058 454 V HN 0.634 nan 8.190 nan 0.000 0.440 455 S N 0.899 116.602 115.700 0.006 0.000 2.475 455 S HA 0.263 4.733 4.470 -0.001 0.000 0.224 455 S C 0.753 175.349 174.600 -0.006 0.000 1.042 455 S CA 0.506 58.706 58.200 0.000 0.000 0.935 455 S CB -0.073 63.125 63.200 -0.003 0.000 0.801 455 S HN 1.424 nan 8.310 nan 0.000 0.509 456 S N 0.589 116.284 115.700 -0.008 0.000 2.596 456 S HA 0.734 5.203 4.470 -0.001 0.000 0.270 456 S C -1.001 173.587 174.600 -0.020 0.000 1.155 456 S CA -0.753 57.436 58.200 -0.018 0.000 0.827 456 S CB 1.648 64.830 63.200 -0.030 0.000 1.130 456 S HN 0.531 nan 8.310 nan 0.000 0.467 457 V N -1.349 118.547 119.914 -0.030 0.000 2.914 457 V HA 0.933 5.053 4.120 -0.001 0.000 0.314 457 V C -0.713 175.335 176.094 -0.076 0.000 1.084 457 V CA -0.488 61.787 62.300 -0.040 0.000 0.963 457 V CB 1.483 33.296 31.823 -0.017 0.000 1.025 457 V HN 0.998 nan 8.190 nan 0.000 0.432 458 T N 5.744 120.241 114.554 -0.094 0.000 2.812 458 T HA 0.611 4.961 4.350 -0.001 0.000 0.282 458 T C -0.754 173.801 174.700 -0.242 0.000 0.990 458 T CA -0.396 61.573 62.100 -0.218 0.000 0.960 458 T CB 1.243 69.930 68.868 -0.302 0.000 0.948 458 T HN 0.616 nan 8.240 nan 0.000 0.438 459 L N 4.551 125.620 121.223 -0.257 0.000 2.262 459 L HA 0.389 4.729 4.340 -0.001 0.000 0.288 459 L C -0.189 176.564 176.870 -0.195 0.000 1.035 459 L CA -0.393 54.362 54.840 -0.141 0.000 0.820 459 L CB -0.008 42.004 42.059 -0.078 0.000 1.204 459 L HN 0.734 nan 8.230 nan 0.000 0.424 460 H N 1.809 120.883 119.070 0.007 0.000 2.640 460 H HA 0.293 4.849 4.556 -0.001 0.000 0.297 460 H C 0.006 175.371 175.328 0.062 0.000 1.073 460 H CA -0.456 55.616 56.048 0.040 0.000 1.305 460 H CB 1.440 31.226 29.762 0.038 0.000 1.404 460 H HN 0.243 nan 8.280 nan 0.000 0.459 461 V N 4.257 124.281 119.914 0.184 0.000 2.276 461 V HA -0.035 4.085 4.120 -0.001 0.000 0.249 461 V C 0.483 176.684 176.094 0.178 0.000 1.160 461 V CA -0.003 62.396 62.300 0.165 0.000 1.042 461 V CB 0.270 32.198 31.823 0.175 0.000 1.224 461 V HN 0.852 nan 8.190 nan 0.000 0.496 462 D N 3.316 123.837 120.400 0.201 0.000 2.269 462 D HA 0.076 4.716 4.640 -0.001 0.000 0.208 462 D C 1.114 177.517 176.300 0.172 0.000 0.963 462 D CA 1.142 55.264 54.000 0.203 0.000 0.864 462 D CB 0.535 41.514 40.800 0.298 0.000 0.936 462 D HN 0.650 nan 8.370 nan 0.000 0.505 463 G N -0.848 108.067 108.800 0.191 0.000 2.741 463 G HA2 0.487 4.446 3.960 -0.001 0.000 0.293 463 G HA3 0.487 4.446 3.960 -0.001 0.000 0.293 463 G C -1.263 173.734 174.900 0.163 0.000 1.457 463 G CA -0.314 44.887 45.100 0.168 0.000 1.098 463 G HN -0.019 nan 8.290 nan 0.000 0.536 464 S N 0.642 116.426 115.700 0.139 0.000 2.537 464 S HA 0.518 4.987 4.470 -0.001 0.000 0.271 464 S C -0.737 173.937 174.600 0.123 0.000 1.148 464 S CA -0.807 57.477 58.200 0.139 0.000 0.868 464 S CB 1.269 64.531 63.200 0.104 0.000 1.115 464 S HN 0.616 nan 8.310 nan 0.000 0.461 465 R N 3.497 124.083 120.500 0.143 0.000 2.248 465 R HA 0.563 4.903 4.340 -0.001 0.000 0.337 465 R C 0.048 176.392 176.300 0.074 0.000 1.106 465 R CA -0.127 56.035 56.100 0.103 0.000 0.959 465 R CB -0.424 29.945 30.300 0.115 0.000 1.075 465 R HN 0.680 nan 8.270 nan 0.000 0.480 466 L N 0.059 121.312 121.223 0.051 0.000 5.699 466 L HA -0.321 4.018 4.340 -0.001 0.000 0.276 466 L C 0.123 177.003 176.870 0.016 0.000 1.125 466 L CA 0.630 55.486 54.840 0.028 0.000 1.287 466 L CB -0.872 41.199 42.059 0.020 0.000 2.083 466 L HN 0.681 nan 8.230 nan 0.000 0.864 467 A N 2.045 124.856 122.820 -0.015 0.000 2.454 467 A HA 0.593 4.912 4.320 -0.001 0.000 0.260 467 A C -1.715 175.833 177.584 -0.060 0.000 1.106 467 A CA -0.719 51.287 52.037 -0.051 0.000 0.780 467 A CB -0.175 18.770 19.000 -0.093 0.000 1.044 467 A HN 0.476 nan 8.150 nan 0.000 0.498 471 S N 4.445 120.276 115.700 0.218 0.000 2.524 471 S HA 0.305 4.775 4.470 -0.001 0.000 0.216 471 S C 0.615 175.302 174.600 0.146 0.000 0.987 471 S CA -0.010 58.329 58.200 0.232 0.000 0.909 471 S CB 0.399 63.711 63.200 0.187 0.000 0.781 471 S HN 0.695 nan 8.310 nan 0.000 0.521 472 R N -0.075 120.485 120.500 0.101 0.000 2.579 472 R HA 0.613 4.952 4.340 -0.001 0.000 0.260 472 R C -2.314 174.008 176.300 0.037 0.000 1.103 472 R CA -0.175 55.957 56.100 0.055 0.000 0.942 472 R CB 1.563 31.871 30.300 0.013 0.000 1.251 472 R HN 0.242 nan 8.270 nan 0.000 0.450 473 A N 2.188 125.019 122.820 0.018 0.000 2.455 473 A HA 0.899 5.218 4.320 -0.001 0.000 0.300 473 A C -1.653 175.924 177.584 -0.012 0.000 1.040 473 A CA -0.095 51.942 52.037 0.000 0.000 0.697 473 A CB 1.967 20.956 19.000 -0.019 0.000 1.265 473 A HN 0.923 nan 8.150 nan 0.000 0.407 474 A N 0.584 123.401 122.820 -0.005 0.000 2.594 474 A HA 0.927 5.246 4.320 -0.001 0.000 0.295 474 A C -0.513 177.077 177.584 0.011 0.000 1.071 474 A CA 0.059 52.089 52.037 -0.012 0.000 0.685 474 A CB 1.175 20.157 19.000 -0.030 0.000 1.285 474 A HN 2.504 nan 8.150 nan 0.000 0.405 475 A N 0.306 123.132 122.820 0.010 0.000 2.330 475 A HA 0.858 5.178 4.320 -0.001 0.000 0.327 475 A C -0.666 176.926 177.584 0.013 0.000 1.155 475 A CA -0.514 51.551 52.037 0.047 0.000 0.803 475 A CB 1.326 20.367 19.000 0.069 0.000 1.208 475 A HN 2.232 nan 8.150 nan 0.000 0.477 476 V N 2.206 122.130 119.914 0.017 0.000 3.188 476 V HA 0.695 4.814 4.120 -0.001 0.000 0.305 476 V C -0.903 175.189 176.094 -0.002 0.000 1.232 476 V CA -0.920 61.366 62.300 -0.023 0.000 1.043 476 V CB 2.239 34.002 31.823 -0.101 0.000 1.068 476 V HN 0.999 nan 8.190 nan 0.000 0.439 477 R N 3.683 124.185 120.500 0.003 0.000 2.288 477 R HA 0.612 4.952 4.340 -0.001 0.000 0.326 477 R C -0.655 175.691 176.300 0.077 0.000 0.959 477 R CA -0.463 55.649 56.100 0.020 0.000 0.834 477 R CB 0.987 31.297 30.300 0.017 0.000 1.157 477 R HN 0.746 nan 8.270 nan 0.000 0.470 478 I N 0.000 120.641 120.570 0.118 0.000 2.984 478 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 478 I CA 0.000 61.437 61.300 0.228 0.000 1.566 478 I CB 0.000 38.150 38.000 0.250 0.000 1.214 478 I HN 0.000 nan 8.210 nan 0.000 0.494