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 2vrt_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKRMLINATQ QEELRVALVD GQRLYDLDIX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXFI SLAGSYLVLM PNNPRAGGIS RRIEGDDRTE DATA SEQUENCE LKEALASLEL PEGMGLIVRT AGVXXSAEAL QWDLSFRLKH WEAIKKAAES DATA SEQUENCE XXAPFLIHQX XNVIVRAFRD YLRXDIGEIL IDNPKVLELA RQHIAXXXXP DATA SEQUENCE DFSSKIKLYT GEIPLFSHYQ IESQIESAFQ REVRLPSGGS IVIDSTEALT DATA SEQUENCE AIDINSAXXX XXGDIEETAF NTNLEAADEI ARQLRLRDLG GLIVIDFIDM DATA SEQUENCE TPVRHQRAVE NRLREAVRQD RARIQISHIS RFGLLEMSRQ RLSPSXXXXX DATA SEQUENCE HHVCPRCSGT GTVRDNESLS LSILRLIEEE ALKENTQEVH AIVPVPIASY DATA SEQUENCE LLNEKRSAVN AIETRQDGVR CVIVPNDQME TPHYHVLRVR KGEETPTLSY DATA SEQUENCE MLPKLHEE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.331 176.300 0.052 0.000 1.140 1 M CA 0.000 55.318 55.300 0.031 0.000 0.988 1 M CB 0.000 32.617 32.600 0.029 0.000 1.302 2 K N 4.646 125.087 120.400 0.068 0.000 2.258 2 K HA 0.544 4.864 4.320 -0.000 0.000 0.284 2 K C -0.782 175.889 176.600 0.118 0.000 1.051 2 K CA -0.346 56.015 56.287 0.124 0.000 0.923 2 K CB 1.168 33.754 32.500 0.142 0.000 1.046 2 K HN 0.585 nan 8.250 nan 0.000 0.474 3 R N 2.288 122.856 120.500 0.113 0.000 2.740 3 R HA 0.354 4.694 4.340 -0.000 0.000 0.282 3 R C -0.614 175.718 176.300 0.054 0.000 0.969 3 R CA -0.848 55.297 56.100 0.074 0.000 0.918 3 R CB 2.001 32.322 30.300 0.035 0.000 1.175 3 R HN 0.467 nan 8.270 nan 0.000 0.464 4 M N 4.408 124.041 119.600 0.055 0.000 2.080 4 M HA 0.322 4.802 4.480 -0.000 0.000 0.350 4 M C -1.489 174.805 176.300 -0.011 0.000 1.173 4 M CA -0.430 54.887 55.300 0.028 0.000 1.052 4 M CB 0.510 33.162 32.600 0.086 0.000 1.577 4 M HN 0.480 nan 8.290 nan 0.000 0.455 5 L N 6.975 128.150 121.223 -0.079 0.000 2.272 5 L HA 0.543 4.882 4.340 -0.000 0.000 0.289 5 L C -0.787 175.969 176.870 -0.189 0.000 1.032 5 L CA -0.504 54.213 54.840 -0.206 0.000 0.810 5 L CB 1.451 43.282 42.059 -0.380 0.000 1.205 5 L HN 0.719 nan 8.230 nan 0.000 0.422 6 I N 3.312 123.784 120.570 -0.162 0.000 2.433 6 I HA 0.364 4.534 4.170 -0.000 0.000 0.292 6 I C -0.433 175.641 176.117 -0.072 0.000 1.001 6 I CA -0.442 60.828 61.300 -0.051 0.000 1.119 6 I CB 1.950 39.947 38.000 -0.005 0.000 1.289 6 I HN 0.516 nan 8.210 nan 0.000 0.438 7 N N 4.585 123.369 118.700 0.142 0.000 2.258 7 N HA 0.749 5.489 4.740 -0.000 0.000 0.299 7 N C -0.974 174.668 175.510 0.220 0.000 1.047 7 N CA -0.498 52.702 53.050 0.251 0.000 0.814 7 N CB 2.234 41.318 38.487 0.994 0.000 1.413 7 N HN 0.682 nan 8.380 nan 0.000 0.478 8 A N 1.970 124.875 122.820 0.142 0.000 3.339 8 A HA 0.213 4.533 4.320 -0.000 0.000 0.219 8 A C 0.640 178.272 177.584 0.081 0.000 0.974 8 A CA -0.056 52.037 52.037 0.093 0.000 1.050 8 A CB -0.875 18.165 19.000 0.066 0.000 1.271 8 A HN 0.685 nan 8.150 nan 0.000 0.565 9 T N -3.208 111.401 114.554 0.092 0.000 3.040 9 T HA 0.168 4.518 4.350 -0.000 0.000 0.252 9 T C 0.628 175.361 174.700 0.055 0.000 1.064 9 T CA 0.523 62.669 62.100 0.075 0.000 1.110 9 T CB 0.012 68.933 68.868 0.089 0.000 0.921 9 T HN 0.230 nan 8.240 nan 0.000 0.480 10 Q N 1.504 121.334 119.800 0.050 0.000 2.303 10 Q HA 0.484 4.824 4.340 -0.000 0.000 0.257 10 Q C 0.688 176.703 176.000 0.025 0.000 0.941 10 Q CA -0.205 55.617 55.803 0.031 0.000 0.931 10 Q CB 1.697 30.448 28.738 0.021 0.000 1.215 10 Q HN 0.249 nan 8.270 nan 0.000 0.437 11 Q N 1.209 121.022 119.800 0.021 0.000 2.234 11 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 11 Q C 0.627 176.633 176.000 0.011 0.000 0.980 11 Q CA 1.370 57.184 55.803 0.017 0.000 0.869 11 Q CB 0.322 29.069 28.738 0.015 0.000 0.912 11 Q HN 0.618 nan 8.270 nan 0.000 0.436 12 E N -0.016 120.190 120.200 0.009 0.000 2.444 12 E HA 0.080 4.430 4.350 -0.000 0.000 0.191 12 E C -0.407 176.193 176.600 -0.001 0.000 1.041 12 E CA 0.118 56.521 56.400 0.004 0.000 0.883 12 E CB 0.438 30.141 29.700 0.006 0.000 1.024 12 E HN 0.254 nan 8.360 nan 0.000 0.470 13 E N 1.074 121.273 120.200 -0.002 0.000 2.640 13 E HA 0.229 4.579 4.350 -0.000 0.000 0.360 13 E C -1.313 175.281 176.600 -0.010 0.000 1.014 13 E CA -0.166 56.225 56.400 -0.014 0.000 0.757 13 E CB 0.757 30.443 29.700 -0.025 0.000 1.565 13 E HN 0.101 nan 8.360 nan 0.000 0.381 14 L N 3.896 125.115 121.223 -0.007 0.000 2.290 14 L HA 0.507 4.847 4.340 -0.000 0.000 0.284 14 L C 0.239 177.108 176.870 -0.001 0.000 1.078 14 L CA -0.166 54.679 54.840 0.008 0.000 0.815 14 L CB 0.674 42.732 42.059 -0.002 0.000 1.162 14 L HN 0.260 nan 8.230 nan 0.000 0.435 15 R N 3.251 123.781 120.500 0.050 0.000 2.561 15 R HA 0.694 5.034 4.340 -0.000 0.000 0.297 15 R C -1.425 174.996 176.300 0.202 0.000 0.969 15 R CA -0.844 55.285 56.100 0.047 0.000 0.879 15 R CB 2.641 32.836 30.300 -0.175 0.000 1.178 15 R HN 0.279 nan 8.270 nan 0.000 0.445 16 V N 1.751 121.727 119.914 0.103 0.000 2.483 16 V HA 0.642 4.762 4.120 -0.000 0.000 0.297 16 V C -0.564 175.570 176.094 0.066 0.000 1.027 16 V CA -0.778 61.568 62.300 0.077 0.000 0.855 16 V CB 1.677 33.481 31.823 -0.032 0.000 0.995 16 V HN 0.931 nan 8.190 nan 0.000 0.424 17 A N 5.801 128.678 122.820 0.096 0.000 2.343 17 A HA 0.869 5.189 4.320 -0.000 0.000 0.308 17 A C -0.919 176.611 177.584 -0.091 0.000 1.092 17 A CA -0.551 51.505 52.037 0.031 0.000 0.751 17 A CB 1.045 20.163 19.000 0.196 0.000 1.203 17 A HN 0.810 nan 8.150 nan 0.000 0.452 18 L N 2.931 124.000 121.223 -0.258 0.000 2.265 18 L HA 0.513 4.853 4.340 -0.000 0.000 0.288 18 L C -0.806 175.796 176.870 -0.447 0.000 1.058 18 L CA -0.573 54.011 54.840 -0.426 0.000 0.809 18 L CB 1.251 42.830 42.059 -0.800 0.000 1.179 18 L HN 0.428 nan 8.230 nan 0.000 0.429 19 V N 2.432 122.312 119.914 -0.056 0.000 2.531 19 V HA 0.235 4.355 4.120 -0.000 0.000 0.301 19 V C -0.419 175.830 176.094 0.258 0.000 1.034 19 V CA -0.694 61.678 62.300 0.119 0.000 0.865 19 V CB 2.160 34.011 31.823 0.047 0.000 0.995 19 V HN 0.657 nan 8.190 nan 0.000 0.424 20 D N 3.818 124.411 120.400 0.322 0.000 2.428 20 D HA 0.472 5.112 4.640 -0.000 0.000 0.221 20 D C 0.956 177.310 176.300 0.090 0.000 1.123 20 D CA 1.111 55.208 54.000 0.162 0.000 0.869 20 D CB 1.399 42.218 40.800 0.032 0.000 1.032 20 D HN 0.820 nan 8.370 nan 0.000 0.506 21 G N 4.986 113.825 108.800 0.066 0.000 2.846 21 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.317 21 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.317 21 G C 0.678 175.606 174.900 0.047 0.000 1.210 21 G CA 0.411 45.538 45.100 0.045 0.000 0.972 21 G HN 0.571 nan 8.290 nan 0.000 0.567 22 Q N 1.163 120.991 119.800 0.046 0.000 2.139 22 Q HA 0.464 4.804 4.340 -0.000 0.000 0.219 22 Q C 1.135 177.170 176.000 0.058 0.000 0.805 22 Q CA 0.558 56.388 55.803 0.045 0.000 1.024 22 Q CB 0.967 29.726 28.738 0.035 0.000 1.163 22 Q HN 0.823 nan 8.270 nan 0.000 0.485 23 R N 1.292 121.839 120.500 0.078 0.000 2.215 23 R HA 0.341 4.681 4.340 -0.000 0.000 0.336 23 R C -0.619 175.769 176.300 0.146 0.000 0.996 23 R CA -0.566 55.590 56.100 0.094 0.000 0.847 23 R CB -0.080 30.268 30.300 0.080 0.000 1.127 23 R HN 0.140 nan 8.270 nan 0.000 0.465 24 L N 3.613 124.900 121.223 0.105 0.000 2.462 24 L HA 0.254 4.594 4.340 -0.000 0.000 0.272 24 L C 0.563 177.512 176.870 0.131 0.000 1.166 24 L CA 0.497 55.386 54.840 0.081 0.000 0.880 24 L CB 0.408 42.495 42.059 0.045 0.000 1.142 24 L HN 0.808 nan 8.230 nan 0.000 0.473 25 Y N 1.069 121.377 120.300 0.013 0.000 2.448 25 Y HA 0.542 5.092 4.550 -0.000 0.000 0.257 25 Y C -0.211 175.688 175.900 -0.002 0.000 1.089 25 Y CA -0.750 57.352 58.100 0.003 0.000 1.245 25 Y CB 0.394 38.855 38.460 0.002 0.000 1.282 25 Y HN 0.519 nan 8.280 nan 0.000 0.529 26 D N 0.871 121.039 120.400 -0.387 0.000 2.736 26 D HA 0.459 5.099 4.640 -0.000 0.000 0.223 26 D C -2.219 173.959 176.300 -0.203 0.000 1.231 26 D CA -0.262 53.576 54.000 -0.271 0.000 0.818 26 D CB 2.815 43.407 40.800 -0.347 0.000 1.587 26 D HN 0.178 nan 8.370 nan 0.000 0.463 27 L N 2.204 123.351 121.223 -0.127 0.000 2.482 27 L HA 0.541 4.881 4.340 -0.000 0.000 0.263 27 L C -1.924 174.894 176.870 -0.087 0.000 0.957 27 L CA -0.337 54.448 54.840 -0.093 0.000 0.836 27 L CB 2.113 44.123 42.059 -0.083 0.000 1.324 27 L HN 0.175 nan 8.230 nan 0.000 0.406 28 D N 5.048 125.405 120.400 -0.073 0.000 2.787 28 D HA 0.708 5.348 4.640 -0.000 0.000 0.246 28 D C -0.620 175.641 176.300 -0.065 0.000 1.150 28 D CA 0.114 54.071 54.000 -0.072 0.000 0.864 28 D CB 2.349 43.104 40.800 -0.074 0.000 1.481 28 D HN 0.463 nan 8.370 nan 0.000 0.509 120 I N 2.759 123.270 120.570 -0.098 0.000 2.693 120 I HA 0.779 4.949 4.170 -0.000 0.000 0.303 120 I C 0.110 176.139 176.117 -0.147 0.000 1.025 120 I CA -1.285 59.958 61.300 -0.095 0.000 1.086 120 I CB 2.549 40.501 38.000 -0.081 0.000 1.268 120 I HN 0.746 nan 8.210 nan 0.000 0.440 121 S N 5.666 121.314 115.700 -0.086 0.000 2.571 121 S HA 0.667 5.137 4.470 -0.000 0.000 0.284 121 S C -1.071 173.493 174.600 -0.059 0.000 1.128 121 S CA -0.822 57.325 58.200 -0.089 0.000 0.970 121 S CB 1.286 64.452 63.200 -0.058 0.000 1.039 121 S HN 0.462 nan 8.310 nan 0.000 0.485 122 L N 2.973 124.150 121.223 -0.077 0.000 2.295 122 L HA 0.688 5.028 4.340 -0.000 0.000 0.281 122 L C 0.331 177.166 176.870 -0.058 0.000 1.018 122 L CA -0.754 54.042 54.840 -0.074 0.000 0.841 122 L CB 1.334 43.353 42.059 -0.067 0.000 1.218 122 L HN 0.945 nan 8.230 nan 0.000 0.424 123 A N 2.677 125.466 122.820 -0.053 0.000 2.328 123 A HA 0.756 5.076 4.320 -0.000 0.000 0.284 123 A C 0.401 177.956 177.584 -0.048 0.000 1.160 123 A CA 0.016 52.029 52.037 -0.040 0.000 0.818 123 A CB 0.844 19.825 19.000 -0.032 0.000 1.087 123 A HN 0.736 nan 8.150 nan 0.000 0.504 124 G N -0.080 108.698 108.800 -0.037 0.000 3.016 124 G HA2 0.450 4.410 3.960 -0.000 0.000 0.270 124 G HA3 0.450 4.410 3.960 -0.000 0.000 0.270 124 G C 0.807 175.631 174.900 -0.127 0.000 1.352 124 G CA 0.312 45.378 45.100 -0.057 0.000 1.060 124 G HN 0.624 nan 8.290 nan 0.000 0.538 125 S N -1.112 114.434 115.700 -0.257 0.000 2.399 125 S HA -0.098 4.372 4.470 -0.000 0.000 0.231 125 S C 1.435 175.702 174.600 -0.555 0.000 1.022 125 S CA 1.607 59.494 58.200 -0.522 0.000 0.983 125 S CB -0.293 62.364 63.200 -0.906 0.000 0.803 125 S HN 0.549 nan 8.310 nan 0.000 0.480 126 Y N -0.477 119.817 120.300 -0.009 0.000 2.452 126 Y HA 0.525 5.075 4.550 -0.000 0.000 0.262 126 Y C 0.288 176.193 175.900 0.008 0.000 1.089 126 Y CA -0.490 57.611 58.100 0.002 0.000 1.262 126 Y CB 0.532 39.000 38.460 0.013 0.000 1.236 126 Y HN 0.014 nan 8.280 nan 0.000 0.512 127 L N 0.560 121.866 121.223 0.138 0.000 2.431 127 L HA 0.597 4.937 4.340 -0.000 0.000 0.266 127 L C -1.251 175.643 176.870 0.040 0.000 0.978 127 L CA -1.069 53.827 54.840 0.094 0.000 0.822 127 L CB 2.814 44.943 42.059 0.117 0.000 1.310 127 L HN -0.390 nan 8.230 nan 0.000 0.409 128 V N 3.720 123.645 119.914 0.019 0.000 2.350 128 V HA 0.299 4.419 4.120 -0.000 0.000 0.276 128 V C -0.088 175.996 176.094 -0.017 0.000 1.028 128 V CA -0.476 61.820 62.300 -0.007 0.000 0.860 128 V CB 1.658 33.472 31.823 -0.015 0.000 0.990 128 V HN 0.415 nan 8.190 nan 0.000 0.453 129 L N 6.784 127.989 121.223 -0.032 0.000 2.305 129 L HA 0.485 4.824 4.340 -0.000 0.000 0.281 129 L C 0.183 176.980 176.870 -0.121 0.000 1.085 129 L CA 0.338 55.141 54.840 -0.062 0.000 0.813 129 L CB 1.096 43.125 42.059 -0.050 0.000 1.157 129 L HN 0.531 nan 8.230 nan 0.000 0.436 130 M N 7.661 127.178 119.600 -0.138 0.000 2.808 130 M HA 0.287 4.767 4.480 -0.000 0.000 0.225 130 M C -1.858 174.285 176.300 -0.262 0.000 1.103 130 M CA -1.682 53.510 55.300 -0.179 0.000 0.982 130 M CB 0.534 33.067 32.600 -0.112 0.000 1.314 130 M HN 0.344 nan 8.290 nan 0.000 0.505 131 P HA -0.066 nan 4.420 nan 0.000 0.234 131 P C 0.849 177.859 177.300 -0.482 0.000 1.167 131 P CA 1.168 63.900 63.100 -0.613 0.000 0.763 131 P CB 0.299 31.121 31.700 -1.463 0.000 0.835 132 N N 0.442 118.902 118.700 -0.401 0.000 2.402 132 N HA -0.020 4.720 4.740 -0.000 0.000 0.174 132 N C 0.274 175.725 175.510 -0.098 0.000 1.027 132 N CA 0.318 53.241 53.050 -0.212 0.000 0.891 132 N CB 0.030 38.401 38.487 -0.193 0.000 1.016 132 N HN 0.195 nan 8.380 nan 0.000 0.439 133 N N -0.787 117.853 118.700 -0.100 0.000 2.260 133 N HA 0.292 5.032 4.740 -0.000 0.000 0.293 133 N C -2.750 172.731 175.510 -0.049 0.000 1.058 133 N CA -1.334 51.683 53.050 -0.055 0.000 0.824 133 N CB 2.559 41.021 38.487 -0.042 0.000 1.551 133 N HN -0.209 nan 8.380 nan 0.000 0.475 134 P HA 0.048 nan 4.420 nan 0.000 0.227 134 P C 1.471 178.760 177.300 -0.019 0.000 1.161 134 P CA 1.306 64.393 63.100 -0.022 0.000 0.788 134 P CB 0.169 31.863 31.700 -0.011 0.000 0.822 135 R N 0.530 121.019 120.500 -0.018 0.000 2.152 135 R HA 0.183 4.523 4.340 -0.000 0.000 0.232 135 R C 1.447 177.738 176.300 -0.015 0.000 1.117 135 R CA 1.450 57.541 56.100 -0.014 0.000 0.981 135 R CB -1.718 28.575 30.300 -0.012 0.000 0.870 135 R HN 0.394 nan 8.270 nan 0.000 0.451 136 A N -0.762 122.045 122.820 -0.022 0.000 2.293 136 A HA 0.734 5.054 4.320 -0.000 0.000 0.302 136 A C 0.756 178.328 177.584 -0.020 0.000 1.119 136 A CA 0.109 52.133 52.037 -0.022 0.000 0.823 136 A CB 0.641 19.623 19.000 -0.030 0.000 1.097 136 A HN 1.626 nan 8.150 nan 0.000 0.491 137 G N -1.327 107.465 108.800 -0.014 0.000 2.350 137 G HA2 0.682 4.642 3.960 -0.000 0.000 0.304 137 G HA3 0.682 4.642 3.960 -0.000 0.000 0.304 137 G C -0.091 174.807 174.900 -0.003 0.000 1.421 137 G CA 0.510 45.604 45.100 -0.009 0.000 0.934 137 G HN 2.662 nan 8.290 nan 0.000 0.632 138 G N -1.218 107.582 108.800 0.001 0.000 2.225 138 G HA2 0.414 4.373 3.960 -0.000 0.000 0.203 138 G HA3 0.414 4.373 3.960 -0.000 0.000 0.203 138 G C -1.300 173.606 174.900 0.009 0.000 1.335 138 G CA -0.103 45.000 45.100 0.005 0.000 1.183 138 G HN 1.397 nan 8.290 nan 0.000 0.488 139 I N 1.354 121.930 120.570 0.009 0.000 2.466 139 I HA 0.471 4.641 4.170 -0.000 0.000 0.289 139 I C 0.789 176.913 176.117 0.012 0.000 1.026 139 I CA -0.659 60.648 61.300 0.013 0.000 1.078 139 I CB 2.007 40.014 38.000 0.012 0.000 1.249 139 I HN 0.632 nan 8.210 nan 0.000 0.429 140 S N 4.354 120.064 115.700 0.016 0.000 2.702 140 S HA -0.052 4.418 4.470 -0.000 0.000 0.314 140 S C 1.636 176.243 174.600 0.011 0.000 1.244 140 S CA 0.676 58.883 58.200 0.013 0.000 1.058 140 S CB 0.528 63.738 63.200 0.017 0.000 0.783 140 S HN 0.800 nan 8.310 nan 0.000 0.503 141 R N 3.560 124.064 120.500 0.008 0.000 2.341 141 R HA -0.026 4.314 4.340 -0.000 0.000 0.213 141 R C 2.061 178.366 176.300 0.008 0.000 1.082 141 R CA 1.663 57.767 56.100 0.007 0.000 1.017 141 R CB -1.054 29.249 30.300 0.005 0.000 0.860 141 R HN 0.651 nan 8.270 nan 0.000 0.473 142 R N -0.071 120.435 120.500 0.010 0.000 2.388 142 R HA 0.338 4.678 4.340 -0.000 0.000 0.247 142 R C 0.038 176.346 176.300 0.014 0.000 0.931 142 R CA 0.054 56.161 56.100 0.011 0.000 1.082 142 R CB -0.308 29.998 30.300 0.010 0.000 1.135 142 R HN 0.483 nan 8.270 nan 0.000 0.525 143 I N 1.869 122.447 120.570 0.014 0.000 2.377 143 I HA 0.456 4.626 4.170 -0.000 0.000 0.293 143 I C -0.249 175.876 176.117 0.014 0.000 0.987 143 I CA -1.262 60.047 61.300 0.016 0.000 1.185 143 I CB 1.633 39.644 38.000 0.018 0.000 1.341 143 I HN 0.146 nan 8.210 nan 0.000 0.455 144 E N 3.032 123.240 120.200 0.014 0.000 2.277 144 E HA 0.790 5.140 4.350 -0.000 0.000 0.266 144 E C 0.343 176.950 176.600 0.012 0.000 0.901 144 E CA -0.671 55.737 56.400 0.013 0.000 0.782 144 E CB 1.263 30.971 29.700 0.013 0.000 1.228 144 E HN 0.838 nan 8.360 nan 0.000 0.424 145 G N 1.661 110.468 108.800 0.010 0.000 2.601 145 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.252 145 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.252 145 G C 0.600 175.505 174.900 0.009 0.000 1.294 145 G CA 0.188 45.294 45.100 0.010 0.000 0.912 145 G HN 0.700 nan 8.290 nan 0.000 0.574 146 D N 0.568 120.973 120.400 0.008 0.000 2.271 146 D HA -0.042 4.598 4.640 -0.000 0.000 0.207 146 D C 2.336 178.641 176.300 0.008 0.000 0.983 146 D CA 2.614 56.618 54.000 0.007 0.000 0.878 146 D CB -0.937 39.867 40.800 0.006 0.000 0.920 146 D HN 0.820 nan 8.370 nan 0.000 0.479 147 D N -0.375 120.031 120.400 0.010 0.000 2.127 147 D HA -0.276 4.364 4.640 -0.000 0.000 0.190 147 D C 2.300 178.607 176.300 0.012 0.000 1.000 147 D CA 3.300 57.307 54.000 0.012 0.000 0.839 147 D CB -1.101 39.708 40.800 0.015 0.000 0.955 147 D HN 0.451 nan 8.370 nan 0.000 0.446 148 R N -0.401 120.106 120.500 0.011 0.000 2.189 148 R HA 0.255 4.595 4.340 -0.000 0.000 0.218 148 R C 2.772 179.077 176.300 0.008 0.000 1.074 148 R CA 2.307 58.413 56.100 0.010 0.000 0.991 148 R CB -1.857 28.449 30.300 0.010 0.000 0.883 148 R HN 0.786 nan 8.270 nan 0.000 0.457 149 T N -0.394 114.164 114.554 0.007 0.000 2.698 149 T HA 0.110 4.460 4.350 -0.000 0.000 0.260 149 T C 2.328 177.031 174.700 0.004 0.000 1.044 149 T CA 2.407 64.511 62.100 0.006 0.000 1.149 149 T CB -0.474 68.398 68.868 0.005 0.000 0.864 149 T HN 0.567 nan 8.240 nan 0.000 0.419 150 E N 0.667 120.869 120.200 0.003 0.000 2.274 150 E HA 0.372 4.722 4.350 -0.000 0.000 0.194 150 E C 2.406 179.006 176.600 0.001 0.000 0.996 150 E CA 1.320 57.720 56.400 0.001 0.000 0.840 150 E CB -1.406 28.294 29.700 -0.000 0.000 0.772 150 E HN 0.906 nan 8.360 nan 0.000 0.491 151 L N -0.170 121.054 121.223 0.002 0.000 2.395 151 L HA 0.423 4.763 4.340 -0.000 0.000 0.218 151 L C 2.874 179.747 176.870 0.006 0.000 1.130 151 L CA 2.198 57.040 54.840 0.003 0.000 0.826 151 L CB -1.810 40.253 42.059 0.008 0.000 0.941 151 L HN 0.656 nan 8.230 nan 0.000 0.451 152 K N -0.179 120.224 120.400 0.005 0.000 2.217 152 K HA -0.127 4.193 4.320 -0.000 0.000 0.202 152 K C 2.016 178.619 176.600 0.004 0.000 1.051 152 K CA 1.394 57.684 56.287 0.005 0.000 0.952 152 K CB -0.467 32.036 32.500 0.005 0.000 0.736 152 K HN 0.834 nan 8.250 nan 0.000 0.453 153 E N -0.749 119.453 120.200 0.003 0.000 2.170 153 E HA 0.100 4.450 4.350 -0.000 0.000 0.191 153 E C 2.172 178.773 176.600 0.002 0.000 0.981 153 E CA 0.700 57.101 56.400 0.003 0.000 0.830 153 E CB 0.039 29.741 29.700 0.002 0.000 0.775 153 E HN 0.509 nan 8.360 nan 0.000 0.470 154 A N 1.018 123.839 122.820 0.001 0.000 1.975 154 A HA 0.042 4.361 4.320 -0.000 0.000 0.215 154 A C 2.457 180.043 177.584 0.004 0.000 1.170 154 A CA 1.124 53.161 52.037 0.000 0.000 0.656 154 A CB -0.880 18.117 19.000 -0.005 0.000 0.821 154 A HN 0.296 nan 8.150 nan 0.000 0.449 155 L N -0.996 120.231 121.223 0.006 0.000 2.083 155 L HA 0.210 4.550 4.340 -0.000 0.000 0.209 155 L C 2.829 179.705 176.870 0.009 0.000 1.083 155 L CA 2.560 57.406 54.840 0.010 0.000 0.752 155 L CB -2.063 40.003 42.059 0.011 0.000 0.899 155 L HN 0.629 nan 8.230 nan 0.000 0.433 156 A N -0.184 122.640 122.820 0.006 0.000 2.066 156 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 156 A C 2.709 180.296 177.584 0.004 0.000 1.157 156 A CA 1.737 53.777 52.037 0.005 0.000 0.670 156 A CB -0.672 18.331 19.000 0.004 0.000 0.804 156 A HN 1.170 nan 8.150 nan 0.000 0.453 157 S N -1.180 114.523 115.700 0.004 0.000 2.496 157 S HA 0.346 4.816 4.470 -0.000 0.000 0.224 157 S C 0.888 175.490 174.600 0.003 0.000 0.996 157 S CA 0.507 58.709 58.200 0.003 0.000 0.927 157 S CB -1.318 61.883 63.200 0.002 0.000 0.774 157 S HN 1.005 nan 8.310 nan 0.000 0.524 158 L N 0.982 122.209 121.223 0.007 0.000 2.453 158 L HA 0.871 5.211 4.340 -0.000 0.000 0.261 158 L C 0.784 177.659 176.870 0.008 0.000 1.179 158 L CA -0.141 54.705 54.840 0.010 0.000 0.813 158 L CB -1.091 40.981 42.059 0.020 0.000 1.110 158 L HN 0.585 nan 8.230 nan 0.000 0.466 159 E N 2.273 122.477 120.200 0.008 0.000 2.360 159 E HA 0.637 4.987 4.350 -0.000 0.000 0.253 159 E C -0.127 176.482 176.600 0.015 0.000 1.189 159 E CA 0.115 56.520 56.400 0.007 0.000 1.252 159 E CB -0.255 29.444 29.700 -0.001 0.000 1.408 159 E HN 2.357 nan 8.360 nan 0.000 0.464 160 L N 0.956 122.188 121.223 0.017 0.000 2.418 160 L HA 0.637 4.977 4.340 -0.000 0.000 0.274 160 L C -1.653 175.229 176.870 0.020 0.000 1.135 160 L CA -1.631 53.221 54.840 0.019 0.000 0.870 160 L CB -0.094 41.973 42.059 0.013 0.000 1.154 160 L HN 0.386 nan 8.230 nan 0.000 0.462 161 P HA 0.404 nan 4.420 nan 0.000 0.266 161 P C 1.303 178.619 177.300 0.027 0.000 1.195 161 P CA 0.645 63.767 63.100 0.035 0.000 0.768 161 P CB 0.537 32.273 31.700 0.060 0.000 0.838 162 E N 2.450 122.664 120.200 0.025 0.000 2.108 162 E HA -0.212 4.138 4.350 -0.000 0.000 0.203 162 E C 2.066 178.676 176.600 0.017 0.000 1.022 162 E CA 2.084 58.495 56.400 0.019 0.000 0.823 162 E CB -1.724 27.987 29.700 0.019 0.000 0.744 162 E HN 0.701 nan 8.360 nan 0.000 0.456 163 G N -0.016 108.799 108.800 0.026 0.000 2.956 163 G HA2 0.331 4.291 3.960 -0.000 0.000 0.207 163 G HA3 0.331 4.291 3.960 -0.000 0.000 0.207 163 G C 0.726 175.626 174.900 0.000 0.000 1.162 163 G CA 0.623 45.737 45.100 0.023 0.000 0.796 163 G HN 0.667 nan 8.290 nan 0.000 0.527 164 M N -0.802 118.791 119.600 -0.011 0.000 2.324 164 M HA 0.670 5.150 4.480 -0.000 0.000 0.288 164 M C -0.157 176.121 176.300 -0.037 0.000 1.097 164 M CA -0.917 54.355 55.300 -0.047 0.000 0.928 164 M CB 2.019 34.572 32.600 -0.080 0.000 1.648 164 M HN -0.093 nan 8.290 nan 0.000 0.460 165 G N 3.123 111.896 108.800 -0.046 0.000 2.511 165 G HA2 0.878 4.838 3.960 -0.000 0.000 0.316 165 G HA3 0.878 4.838 3.960 -0.000 0.000 0.316 165 G C -1.018 173.859 174.900 -0.037 0.000 1.210 165 G CA -1.074 44.007 45.100 -0.032 0.000 0.969 165 G HN 1.097 nan 8.290 nan 0.000 0.492 166 L N -2.151 119.060 121.223 -0.020 0.000 2.622 166 L HA 0.767 5.107 4.340 -0.000 0.000 0.258 166 L C -1.661 175.208 176.870 -0.002 0.000 0.996 166 L CA -1.159 53.673 54.840 -0.014 0.000 0.858 166 L CB 1.982 44.041 42.059 -0.000 0.000 1.449 166 L HN 0.421 nan 8.230 nan 0.000 0.411 167 I N 1.964 122.535 120.570 0.003 0.000 2.433 167 I HA 0.443 4.613 4.170 -0.000 0.000 0.292 167 I C -0.197 175.936 176.117 0.026 0.000 1.001 167 I CA -1.111 60.194 61.300 0.010 0.000 1.119 167 I CB 2.157 40.159 38.000 0.002 0.000 1.289 167 I HN 0.342 nan 8.210 nan 0.000 0.438 168 V N 6.139 126.072 119.914 0.032 0.000 2.470 168 V HA 0.206 4.326 4.120 -0.000 0.000 0.276 168 V C 0.620 176.744 176.094 0.050 0.000 1.040 168 V CA -0.303 62.027 62.300 0.050 0.000 1.008 168 V CB 0.758 32.606 31.823 0.043 0.000 0.990 168 V HN 0.632 nan 8.190 nan 0.000 0.477 169 R N 2.915 123.457 120.500 0.071 0.000 2.707 169 R HA 0.204 4.544 4.340 -0.000 0.000 0.270 169 R C 1.534 177.868 176.300 0.057 0.000 1.083 169 R CA 0.532 56.664 56.100 0.053 0.000 1.182 169 R CB 0.376 30.703 30.300 0.047 0.000 1.084 169 R HN 0.831 nan 8.270 nan 0.000 0.528 170 T N 0.916 115.491 114.554 0.035 0.000 2.788 170 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 170 T C 1.581 176.311 174.700 0.050 0.000 1.044 170 T CA 1.529 63.649 62.100 0.033 0.000 1.139 170 T CB -0.209 68.668 68.868 0.016 0.000 0.867 170 T HN 0.672 nan 8.240 nan 0.000 0.454 171 A N 1.238 124.090 122.820 0.053 0.000 2.172 171 A HA 0.245 4.565 4.320 -0.000 0.000 0.216 171 A C 2.405 180.115 177.584 0.209 0.000 1.154 171 A CA 1.217 53.301 52.037 0.079 0.000 0.701 171 A CB -0.924 18.074 19.000 -0.005 0.000 0.789 171 A HN 0.513 nan 8.150 nan 0.000 0.465 172 G N -0.798 108.137 108.800 0.224 0.000 2.848 172 G HA2 0.245 4.205 3.960 -0.000 0.000 0.208 172 G HA3 0.245 4.205 3.960 -0.000 0.000 0.208 172 G C 0.803 175.754 174.900 0.084 0.000 1.152 172 G CA 0.574 45.812 45.100 0.231 0.000 0.789 172 G HN 0.390 nan 8.290 nan 0.000 0.531 177 A N 0.876 123.687 122.820 -0.015 0.000 1.908 177 A HA 0.150 4.470 4.320 -0.000 0.000 0.218 177 A C 2.260 179.857 177.584 0.022 0.000 1.181 177 A CA 2.609 54.645 52.037 -0.002 0.000 0.627 177 A CB -1.934 17.067 19.000 0.002 0.000 0.818 177 A HN 1.534 nan 8.150 nan 0.000 0.445 178 E N -0.513 119.714 120.200 0.046 0.000 2.153 178 E HA 0.088 4.438 4.350 -0.000 0.000 0.194 178 E C 2.151 178.897 176.600 0.243 0.000 0.988 178 E CA 1.757 58.219 56.400 0.103 0.000 0.811 178 E CB -0.984 28.789 29.700 0.122 0.000 0.746 178 E HN 1.013 nan 8.360 nan 0.000 0.466 179 A N -0.225 122.686 122.820 0.152 0.000 2.067 179 A HA 0.261 4.581 4.320 -0.000 0.000 0.217 179 A C 2.376 179.994 177.584 0.057 0.000 1.156 179 A CA 1.114 53.219 52.037 0.113 0.000 0.683 179 A CB -0.113 18.803 19.000 -0.139 0.000 0.808 179 A HN 0.437 nan 8.150 nan 0.000 0.455 180 L N -1.508 119.722 121.223 0.011 0.000 2.168 180 L HA -0.069 4.271 4.340 -0.000 0.000 0.203 180 L C 3.325 180.286 176.870 0.151 0.000 1.078 180 L CA 1.054 55.919 54.840 0.042 0.000 0.780 180 L CB -0.893 41.165 42.059 -0.001 0.000 0.939 180 L HN 0.520 nan 8.230 nan 0.000 0.451 181 Q N -0.095 119.774 119.800 0.115 0.000 2.096 181 Q HA -0.312 4.028 4.340 -0.000 0.000 0.204 181 Q C 1.744 177.829 176.000 0.142 0.000 0.982 181 Q CA 2.322 58.173 55.803 0.080 0.000 0.850 181 Q CB -1.805 26.929 28.738 -0.006 0.000 0.901 181 Q HN 0.612 nan 8.270 nan 0.000 0.422 182 W N 0.526 121.899 121.300 0.121 0.000 2.275 182 W HA -0.291 4.369 4.660 -0.000 0.000 0.321 182 W C 2.132 178.820 176.519 0.282 0.000 1.269 182 W CA 1.673 59.136 57.345 0.197 0.000 1.274 182 W CB -0.028 29.493 29.460 0.102 0.000 1.141 182 W HN 0.562 nan 8.180 nan 0.000 0.493 183 D N -0.811 119.872 120.400 0.472 0.000 2.144 183 D HA -0.131 4.509 4.640 -0.000 0.000 0.207 183 D C 2.559 179.053 176.300 0.323 0.000 0.970 183 D CA 2.110 56.326 54.000 0.360 0.000 0.853 183 D CB -0.803 40.200 40.800 0.339 0.000 1.007 183 D HN 0.030 nan 8.370 nan 0.000 0.469 184 L N 0.858 122.223 121.223 0.236 0.000 2.089 184 L HA -0.211 4.129 4.340 -0.000 0.000 0.213 184 L C 2.677 179.650 176.870 0.171 0.000 1.079 184 L CA 3.088 58.026 54.840 0.164 0.000 0.758 184 L CB -2.124 39.999 42.059 0.107 0.000 0.891 184 L HN 0.379 nan 8.230 nan 0.000 0.433 185 S N -1.736 114.084 115.700 0.200 0.000 2.345 185 S HA -0.208 4.262 4.470 -0.000 0.000 0.220 185 S C 2.072 176.768 174.600 0.161 0.000 1.031 185 S CA 1.353 59.633 58.200 0.134 0.000 0.996 185 S CB -1.072 62.162 63.200 0.058 0.000 0.882 185 S HN 0.622 nan 8.310 nan 0.000 0.445 186 F N 2.841 122.879 119.950 0.147 0.000 2.333 186 F HA 0.055 4.582 4.527 -0.000 0.000 0.300 186 F C 2.764 178.648 175.800 0.141 0.000 1.083 186 F CA 0.849 58.942 58.000 0.155 0.000 1.395 186 F CB -0.171 38.934 39.000 0.174 0.000 1.056 186 F HN 0.142 nan 8.300 nan 0.000 0.529 187 R N 0.032 120.701 120.500 0.282 0.000 2.055 187 R HA 0.003 4.343 4.340 -0.000 0.000 0.226 187 R C 2.310 178.751 176.300 0.236 0.000 1.135 187 R CA 0.914 57.138 56.100 0.207 0.000 0.959 187 R CB -1.212 29.168 30.300 0.133 0.000 0.854 187 R HN 0.324 nan 8.270 nan 0.000 0.431 188 L N 1.719 123.058 121.223 0.194 0.000 2.043 188 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 188 L C 3.157 180.139 176.870 0.186 0.000 1.075 188 L CA 2.452 57.416 54.840 0.207 0.000 0.752 188 L CB -1.020 41.119 42.059 0.133 0.000 0.891 188 L HN 0.291 nan 8.230 nan 0.000 0.432 189 K N -0.299 120.168 120.400 0.113 0.000 2.057 189 K HA -0.269 4.051 4.320 -0.000 0.000 0.207 189 K C 1.838 178.494 176.600 0.094 0.000 1.049 189 K CA 1.966 58.281 56.287 0.047 0.000 0.931 189 K CB -1.445 31.022 32.500 -0.054 0.000 0.714 189 K HN 0.580 nan 8.250 nan 0.000 0.440 190 H N -1.804 117.317 119.070 0.086 0.000 2.389 190 H HA -0.057 4.499 4.556 -0.000 0.000 0.299 190 H C 2.054 177.470 175.328 0.146 0.000 1.081 190 H CA 1.929 58.030 56.048 0.088 0.000 1.345 190 H CB -0.162 29.640 29.762 0.067 0.000 1.393 190 H HN 0.674 nan 8.280 nan 0.000 0.520 191 W N 1.487 122.851 121.300 0.108 0.000 2.363 191 W HA -0.157 4.503 4.660 -0.000 0.000 0.296 191 W C 1.287 177.802 176.519 -0.007 0.000 1.212 191 W CA 1.117 58.496 57.345 0.056 0.000 1.260 191 W CB 0.231 29.730 29.460 0.065 0.000 1.131 191 W HN 0.317 nan 8.180 nan 0.000 0.530 192 E N 0.641 120.768 120.200 -0.121 0.000 2.072 192 E HA -0.170 4.179 4.350 -0.000 0.000 0.191 192 E C 2.341 178.797 176.600 -0.239 0.000 0.985 192 E CA 1.481 57.729 56.400 -0.253 0.000 0.801 192 E CB -0.935 28.697 29.700 -0.114 0.000 0.750 192 E HN 0.332 nan 8.360 nan 0.000 0.452 193 A N 1.651 124.364 122.820 -0.177 0.000 1.933 193 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 193 A C 2.653 180.107 177.584 -0.216 0.000 1.175 193 A CA 2.095 54.022 52.037 -0.183 0.000 0.628 193 A CB -1.070 17.820 19.000 -0.183 0.000 0.814 193 A HN 0.243 nan 8.150 nan 0.000 0.444 194 I N 1.404 121.813 120.570 -0.269 0.000 2.113 194 I HA -0.205 3.965 4.170 -0.000 0.000 0.238 194 I C 2.439 178.429 176.117 -0.211 0.000 1.070 194 I CA 2.539 63.732 61.300 -0.178 0.000 1.332 194 I CB -1.558 36.455 38.000 0.022 0.000 1.044 194 I HN 0.671 nan 8.210 nan 0.000 0.402 195 K N 1.070 121.186 120.400 -0.474 0.000 2.283 195 K HA -0.104 4.216 4.320 -0.000 0.000 0.202 195 K C 2.121 178.573 176.600 -0.248 0.000 1.048 195 K CA 1.846 57.839 56.287 -0.491 0.000 0.948 195 K CB -0.492 31.483 32.500 -0.876 0.000 0.742 195 K HN 0.570 nan 8.250 nan 0.000 0.458 196 K N 1.197 121.476 120.400 -0.202 0.000 2.166 196 K HA 0.268 4.588 4.320 -0.000 0.000 0.201 196 K C 2.188 178.756 176.600 -0.053 0.000 1.052 196 K CA 0.774 56.990 56.287 -0.118 0.000 0.969 196 K CB -0.616 31.812 32.500 -0.119 0.000 0.761 196 K HN 0.359 nan 8.250 nan 0.000 0.459 197 A N 0.929 123.730 122.820 -0.032 0.000 2.121 197 A HA 0.350 4.670 4.320 -0.000 0.000 0.218 197 A C 2.588 180.271 177.584 0.166 0.000 1.154 197 A CA 1.752 53.809 52.037 0.033 0.000 0.679 197 A CB -0.521 18.512 19.000 0.055 0.000 0.795 197 A HN 0.726 nan 8.150 nan 0.000 0.458 198 A N -0.534 122.390 122.820 0.173 0.000 1.844 198 A HA -0.019 4.301 4.320 -0.000 0.000 0.212 198 A C 1.894 179.610 177.584 0.221 0.000 1.221 198 A CA 1.169 53.392 52.037 0.310 0.000 0.607 198 A CB -0.531 18.525 19.000 0.093 0.000 0.878 198 A HN 0.476 nan 8.150 nan 0.000 0.451 199 E N 0.278 120.518 120.200 0.067 0.000 2.396 199 E HA -0.080 4.270 4.350 -0.000 0.000 0.200 199 E C 1.085 177.699 176.600 0.024 0.000 1.023 199 E CA 0.588 57.008 56.400 0.032 0.000 0.857 199 E CB -0.212 29.478 29.700 -0.018 0.000 0.775 199 E HN 0.686 nan 8.360 nan 0.000 0.525 204 P HA 0.668 nan 4.420 nan 0.000 0.273 204 P C -1.165 176.273 177.300 0.230 0.000 1.531 204 P CA 0.073 63.226 63.100 0.088 0.000 1.027 204 P CB -0.622 31.125 31.700 0.079 0.000 1.387 205 F N 0.590 120.551 119.950 0.018 0.000 2.725 205 F HA 0.474 5.001 4.527 -0.000 0.000 0.309 205 F C -1.584 174.232 175.800 0.026 0.000 1.132 205 F CA -1.804 56.207 58.000 0.018 0.000 0.957 205 F CB 0.569 39.578 39.000 0.015 0.000 1.286 205 F HN 0.080 nan 8.300 nan 0.000 0.440 206 L N 2.886 124.219 121.223 0.184 0.000 2.439 206 L HA 0.686 5.026 4.340 -0.000 0.000 0.269 206 L C 0.348 177.349 176.870 0.217 0.000 1.179 206 L CA 0.698 55.605 54.840 0.112 0.000 0.828 206 L CB 1.132 43.248 42.059 0.093 0.000 1.106 206 L HN 0.976 nan 8.230 nan 0.000 0.467 207 I N 2.205 122.864 120.570 0.149 0.000 3.570 207 I HA 0.271 4.441 4.170 -0.000 0.000 0.270 207 I C 0.401 176.660 176.117 0.237 0.000 1.162 207 I CA 0.834 62.260 61.300 0.209 0.000 1.413 207 I CB -0.658 37.439 38.000 0.162 0.000 1.437 207 I HN 0.926 nan 8.210 nan 0.000 0.457 208 H N 0.283 119.433 119.070 0.133 0.000 2.759 208 H HA 0.626 5.181 4.556 -0.000 0.000 0.354 208 H C -0.519 174.881 175.328 0.120 0.000 1.074 208 H CA 0.105 56.253 56.048 0.167 0.000 1.226 208 H CB 1.587 31.528 29.762 0.298 0.000 1.648 208 H HN 0.508 nan 8.280 nan 0.000 0.529 213 V N 0.317 120.190 119.914 -0.069 0.000 2.343 213 V HA -0.045 4.075 4.120 -0.000 0.000 0.247 213 V C 1.880 177.885 176.094 -0.148 0.000 1.051 213 V CA 1.784 64.030 62.300 -0.091 0.000 1.036 213 V CB -0.906 30.868 31.823 -0.083 0.000 0.654 213 V HN 0.604 nan 8.190 nan 0.000 0.451 214 I N -0.700 119.758 120.570 -0.187 0.000 2.226 214 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 214 I C 2.362 178.269 176.117 -0.349 0.000 1.100 214 I CA 1.587 62.651 61.300 -0.393 0.000 1.374 214 I CB -0.223 37.569 38.000 -0.348 0.000 1.057 214 I HN 0.205 nan 8.210 nan 0.000 0.413 215 V N 0.829 120.698 119.914 -0.076 0.000 2.278 215 V HA -0.326 3.794 4.120 -0.000 0.000 0.251 215 V C 2.595 178.705 176.094 0.026 0.000 1.062 215 V CA 1.820 64.165 62.300 0.075 0.000 1.038 215 V CB -0.855 31.075 31.823 0.178 0.000 0.646 215 V HN 0.390 nan 8.190 nan 0.000 0.447 216 R N 0.032 120.509 120.500 -0.038 0.000 2.073 216 R HA 0.043 4.383 4.340 -0.000 0.000 0.229 216 R C 2.440 178.693 176.300 -0.079 0.000 1.120 216 R CA 1.460 57.531 56.100 -0.049 0.000 0.967 216 R CB -1.176 29.090 30.300 -0.056 0.000 0.862 216 R HN 0.539 nan 8.270 nan 0.000 0.436 217 A N 0.796 123.522 122.820 -0.156 0.000 1.883 217 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 217 A C 2.206 179.757 177.584 -0.056 0.000 1.186 217 A CA 1.290 53.224 52.037 -0.172 0.000 0.624 217 A CB -0.795 18.020 19.000 -0.309 0.000 0.822 217 A HN 0.255 nan 8.150 nan 0.000 0.444 218 F N -0.867 119.047 119.950 -0.060 0.000 2.060 218 F HA -0.129 4.398 4.527 -0.000 0.000 0.295 218 F C 2.655 178.372 175.800 -0.137 0.000 1.120 218 F CA 1.205 59.144 58.000 -0.101 0.000 1.205 218 F CB -0.253 38.714 39.000 -0.055 0.000 0.986 218 F HN 0.181 nan 8.300 nan 0.000 0.470 219 R N 0.883 121.449 120.500 0.110 0.000 2.112 219 R HA -0.232 4.108 4.340 -0.000 0.000 0.242 219 R C 1.549 177.805 176.300 -0.073 0.000 1.137 219 R CA 2.621 58.713 56.100 -0.014 0.000 0.944 219 R CB -0.537 29.760 30.300 -0.005 0.000 0.857 219 R HN 0.193 nan 8.270 nan 0.000 0.435 220 D N -1.658 118.709 120.400 -0.055 0.000 2.137 220 D HA -0.119 4.521 4.640 -0.000 0.000 0.202 220 D C 1.063 177.322 176.300 -0.069 0.000 0.970 220 D CA 1.906 55.860 54.000 -0.077 0.000 0.837 220 D CB -0.036 40.722 40.800 -0.069 0.000 0.981 220 D HN 0.477 nan 8.370 nan 0.000 0.475 221 Y N 0.030 120.304 120.300 -0.042 0.000 2.720 221 Y HA 0.532 5.082 4.550 -0.000 0.000 0.277 221 Y C 0.392 176.281 175.900 -0.018 0.000 1.144 221 Y CA -0.433 57.651 58.100 -0.027 0.000 1.221 221 Y CB -0.387 38.057 38.460 -0.026 0.000 1.163 221 Y HN -0.086 nan 8.280 nan 0.000 0.537 222 L N 2.740 123.917 121.223 -0.076 0.000 2.272 222 L HA 0.659 4.999 4.340 -0.000 0.000 0.284 222 L C 0.349 177.110 176.870 -0.183 0.000 1.045 222 L CA -0.468 54.263 54.840 -0.183 0.000 0.842 222 L CB 0.959 42.799 42.059 -0.364 0.000 1.224 222 L HN 0.699 nan 8.230 nan 0.000 0.430 226 I N 1.916 122.580 120.570 0.158 0.000 2.308 226 I HA 0.423 4.593 4.170 -0.000 0.000 0.293 226 I C 1.658 177.867 176.117 0.153 0.000 1.078 226 I CA 0.046 61.452 61.300 0.176 0.000 1.292 226 I CB 1.483 39.614 38.000 0.220 0.000 1.423 226 I HN 0.180 nan 8.210 nan 0.000 0.493 227 G N 5.715 114.569 108.800 0.090 0.000 2.453 227 G HA2 0.030 3.990 3.960 -0.000 0.000 0.215 227 G HA3 0.030 3.990 3.960 -0.000 0.000 0.215 227 G C 0.444 175.372 174.900 0.047 0.000 1.147 227 G CA 0.231 45.357 45.100 0.042 0.000 0.802 227 G HN 0.579 nan 8.290 nan 0.000 0.535 228 E N -0.966 119.278 120.200 0.074 0.000 2.340 228 E HA 0.524 4.874 4.350 -0.000 0.000 0.273 228 E C -1.411 175.245 176.600 0.094 0.000 0.891 228 E CA -0.642 55.801 56.400 0.071 0.000 0.757 228 E CB 2.550 32.279 29.700 0.049 0.000 1.231 228 E HN 0.037 nan 8.360 nan 0.000 0.439 229 I N 3.281 123.913 120.570 0.103 0.000 2.555 229 I HA 0.219 4.389 4.170 -0.000 0.000 0.275 229 I C -0.699 175.471 176.117 0.088 0.000 1.082 229 I CA -0.396 60.975 61.300 0.120 0.000 1.167 229 I CB 0.364 38.479 38.000 0.191 0.000 1.312 229 I HN 0.240 nan 8.210 nan 0.000 0.493 230 L N 6.250 127.496 121.223 0.038 0.000 2.313 230 L HA 0.463 4.803 4.340 -0.000 0.000 0.282 230 L C -0.263 176.607 176.870 -0.000 0.000 1.092 230 L CA -0.087 54.767 54.840 0.023 0.000 0.831 230 L CB 0.438 42.481 42.059 -0.027 0.000 1.159 230 L HN 0.458 nan 8.230 nan 0.000 0.442 231 I N 2.823 123.426 120.570 0.054 0.000 2.406 231 I HA 0.154 4.324 4.170 -0.000 0.000 0.290 231 I C 0.199 176.366 176.117 0.085 0.000 0.999 231 I CA -0.462 60.869 61.300 0.050 0.000 1.124 231 I CB 1.914 39.964 38.000 0.083 0.000 1.289 231 I HN 0.598 nan 8.210 nan 0.000 0.441 232 D N 2.947 123.388 120.400 0.067 0.000 2.328 232 D HA -0.013 4.627 4.640 -0.000 0.000 0.221 232 D C 0.165 176.532 176.300 0.112 0.000 1.072 232 D CA 0.201 54.287 54.000 0.144 0.000 0.850 232 D CB 0.002 40.886 40.800 0.140 0.000 0.922 232 D HN 0.295 nan 8.370 nan 0.000 0.516 233 N N 0.360 119.110 118.700 0.084 0.000 2.491 233 N HA 0.259 4.999 4.740 -0.000 0.000 0.274 233 N C -2.228 173.319 175.510 0.062 0.000 1.023 233 N CA -2.125 50.966 53.050 0.069 0.000 0.902 233 N CB 2.383 40.908 38.487 0.062 0.000 1.267 233 N HN -0.314 nan 8.380 nan 0.000 0.503 234 P HA -0.153 nan 4.420 nan 0.000 0.215 234 P C 1.275 178.603 177.300 0.046 0.000 1.157 234 P CA 2.329 65.457 63.100 0.047 0.000 0.874 234 P CB 0.282 32.003 31.700 0.035 0.000 0.790 235 K N -0.252 120.174 120.400 0.042 0.000 2.103 235 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 235 K C 2.185 178.814 176.600 0.047 0.000 1.048 235 K CA 2.076 58.387 56.287 0.040 0.000 0.930 235 K CB -1.800 30.720 32.500 0.034 0.000 0.716 235 K HN 0.015 nan 8.250 nan 0.000 0.444 236 V N 0.540 120.485 119.914 0.052 0.000 2.346 236 V HA -0.121 3.999 4.120 -0.000 0.000 0.244 236 V C 2.439 178.580 176.094 0.078 0.000 1.037 236 V CA 1.459 63.794 62.300 0.058 0.000 1.029 236 V CB -0.282 31.572 31.823 0.052 0.000 0.663 236 V HN 0.579 nan 8.190 nan 0.000 0.454 237 L N 0.744 122.016 121.223 0.081 0.000 2.051 237 L HA -0.280 4.060 4.340 -0.000 0.000 0.214 237 L C 2.762 179.690 176.870 0.096 0.000 1.076 237 L CA 2.712 57.611 54.840 0.097 0.000 0.758 237 L CB -0.609 41.500 42.059 0.083 0.000 0.890 237 L HN 0.519 nan 8.230 nan 0.000 0.433 238 E N -0.026 120.219 120.200 0.075 0.000 2.038 238 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 238 E C 2.000 178.649 176.600 0.082 0.000 1.000 238 E CA 1.817 58.258 56.400 0.068 0.000 0.803 238 E CB -1.208 28.522 29.700 0.050 0.000 0.750 238 E HN 0.660 nan 8.360 nan 0.000 0.448 239 L N -0.183 121.091 121.223 0.085 0.000 2.187 239 L HA -0.103 4.237 4.340 -0.000 0.000 0.213 239 L C 2.979 179.938 176.870 0.147 0.000 1.100 239 L CA 1.124 56.023 54.840 0.098 0.000 0.765 239 L CB -0.190 41.918 42.059 0.082 0.000 0.904 239 L HN 0.480 nan 8.230 nan 0.000 0.437 240 A N -0.281 122.646 122.820 0.180 0.000 1.970 240 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 240 A C 2.354 180.087 177.584 0.248 0.000 1.170 240 A CA 0.958 53.185 52.037 0.317 0.000 0.645 240 A CB -0.276 18.942 19.000 0.363 0.000 0.816 240 A HN 0.311 nan 8.150 nan 0.000 0.447 241 R N -0.565 120.021 120.500 0.143 0.000 2.090 241 R HA -0.086 4.254 4.340 -0.000 0.000 0.228 241 R C 2.355 178.705 176.300 0.084 0.000 1.110 241 R CA 1.437 57.588 56.100 0.085 0.000 0.973 241 R CB -0.295 30.044 30.300 0.065 0.000 0.869 241 R HN 0.643 nan 8.270 nan 0.000 0.440 242 Q N -0.897 118.961 119.800 0.096 0.000 2.124 242 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 242 Q C 2.363 178.438 176.000 0.124 0.000 0.977 242 Q CA 1.989 57.846 55.803 0.090 0.000 0.850 242 Q CB -0.319 28.468 28.738 0.082 0.000 0.901 242 Q HN 0.731 nan 8.270 nan 0.000 0.429 243 H N 0.763 119.942 119.070 0.182 0.000 2.326 243 H HA 0.012 4.568 4.556 -0.000 0.000 0.301 243 H C 1.929 177.388 175.328 0.219 0.000 1.081 243 H CA 1.432 57.635 56.048 0.257 0.000 1.334 243 H CB -0.577 29.422 29.762 0.395 0.000 1.385 243 H HN 0.172 nan 8.280 nan 0.000 0.504 244 I N 0.695 121.327 120.570 0.104 0.000 2.252 244 I HA -0.012 4.158 4.170 -0.000 0.000 0.245 244 I C 2.196 178.357 176.117 0.073 0.000 1.102 244 I CA 0.629 61.921 61.300 -0.015 0.000 1.385 244 I CB -0.573 37.326 38.000 -0.168 0.000 1.064 244 I HN 0.645 nan 8.210 nan 0.000 0.414 251 D N 0.345 120.835 120.400 0.151 0.000 2.348 251 D HA -0.038 4.602 4.640 -0.000 0.000 0.216 251 D C 1.016 177.255 176.300 -0.101 0.000 0.970 251 D CA 0.449 54.470 54.000 0.035 0.000 0.889 251 D CB -0.711 40.110 40.800 0.034 0.000 0.912 251 D HN 0.268 nan 8.370 nan 0.000 0.524 252 F N 0.419 120.372 119.950 0.004 0.000 2.664 252 F HA 0.254 4.781 4.527 -0.000 0.000 0.303 252 F C 2.088 177.849 175.800 -0.065 0.000 1.092 252 F CA -0.199 57.773 58.000 -0.047 0.000 1.305 252 F CB 0.521 39.459 39.000 -0.103 0.000 1.054 252 F HN -0.162 nan 8.300 nan 0.000 0.565 253 S N -0.752 114.999 115.700 0.086 0.000 2.446 253 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 253 S C 2.249 176.865 174.600 0.027 0.000 1.016 253 S CA 1.111 59.339 58.200 0.046 0.000 0.943 253 S CB -0.239 62.986 63.200 0.042 0.000 0.786 253 S HN 0.441 nan 8.310 nan 0.000 0.508 254 S N 1.823 117.527 115.700 0.006 0.000 2.447 254 S HA 0.060 4.530 4.470 -0.000 0.000 0.233 254 S C 1.511 176.109 174.600 -0.003 0.000 1.006 254 S CA 0.662 58.858 58.200 -0.005 0.000 0.957 254 S CB -0.228 62.957 63.200 -0.026 0.000 0.773 254 S HN 0.387 nan 8.310 nan 0.000 0.507 255 K N 0.419 120.818 120.400 -0.002 0.000 2.262 255 K HA 0.317 4.637 4.320 -0.000 0.000 0.200 255 K C 0.246 176.877 176.600 0.053 0.000 1.049 255 K CA 0.071 56.367 56.287 0.014 0.000 0.979 255 K CB -0.070 32.430 32.500 0.000 0.000 0.773 255 K HN 0.410 nan 8.250 nan 0.000 0.474 256 I N 2.815 123.422 120.570 0.062 0.000 2.668 256 I HA -0.082 4.088 4.170 -0.000 0.000 0.285 256 I C -0.108 176.048 176.117 0.065 0.000 1.168 256 I CA 0.729 62.074 61.300 0.076 0.000 1.424 256 I CB 0.283 38.329 38.000 0.076 0.000 1.377 256 I HN 0.011 nan 8.210 nan 0.000 0.560 257 K N 6.096 126.540 120.400 0.072 0.000 2.422 257 K HA 0.481 4.801 4.320 -0.000 0.000 0.251 257 K C -1.238 175.410 176.600 0.081 0.000 0.933 257 K CA -1.052 55.275 56.287 0.066 0.000 0.798 257 K CB 2.684 35.221 32.500 0.061 0.000 1.238 257 K HN 0.267 nan 8.250 nan 0.000 0.428 258 L N 2.847 124.113 121.223 0.071 0.000 2.319 258 L HA 0.207 4.547 4.340 -0.000 0.000 0.280 258 L C -0.946 175.985 176.870 0.102 0.000 1.099 258 L CA -0.134 54.754 54.840 0.080 0.000 0.828 258 L CB 0.122 42.210 42.059 0.049 0.000 1.150 258 L HN 0.535 nan 8.230 nan 0.000 0.442 259 Y N 3.966 124.264 120.300 -0.004 0.000 2.627 259 Y HA 0.171 4.721 4.550 -0.000 0.000 0.347 259 Y C 1.459 177.355 175.900 -0.006 0.000 1.099 259 Y CA 0.284 58.377 58.100 -0.013 0.000 1.408 259 Y CB 0.396 38.835 38.460 -0.035 0.000 1.247 259 Y HN 0.888 nan 8.280 nan 0.000 0.506 260 T N 0.645 114.971 114.554 -0.380 0.000 2.812 260 T HA 0.062 4.412 4.350 -0.000 0.000 0.264 260 T C 1.162 175.618 174.700 -0.405 0.000 1.042 260 T CA 0.621 62.537 62.100 -0.307 0.000 1.140 260 T CB -0.587 68.166 68.868 -0.192 0.000 0.870 260 T HN 0.680 nan 8.240 nan 0.000 0.445 261 G N 1.237 109.624 108.800 -0.688 0.000 2.406 261 G HA2 0.285 4.245 3.960 -0.000 0.000 0.251 261 G HA3 0.285 4.245 3.960 -0.000 0.000 0.251 261 G C 0.599 175.350 174.900 -0.248 0.000 1.271 261 G CA -0.416 44.437 45.100 -0.412 0.000 0.859 261 G HN 0.156 nan 8.290 nan 0.000 0.540 262 E N 1.952 122.105 120.200 -0.078 0.000 2.160 262 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 262 E C 1.601 178.261 176.600 0.101 0.000 0.991 262 E CA 0.040 56.451 56.400 0.018 0.000 0.810 262 E CB -0.262 29.446 29.700 0.013 0.000 0.742 262 E HN 0.575 nan 8.360 nan 0.000 0.466 263 I N 3.756 124.389 120.570 0.105 0.000 3.089 263 I HA -0.149 4.021 4.170 -0.000 0.000 0.321 263 I C -1.865 174.407 176.117 0.258 0.000 1.222 263 I CA -0.384 61.011 61.300 0.158 0.000 1.452 263 I CB -0.019 38.072 38.000 0.152 0.000 1.321 263 I HN 0.056 nan 8.210 nan 0.000 0.539 264 P HA 0.033 nan 4.420 nan 0.000 0.271 264 P C 1.042 178.379 177.300 0.062 0.000 1.233 264 P CA 0.031 63.226 63.100 0.158 0.000 0.764 264 P CB 0.678 32.457 31.700 0.131 0.000 0.825 265 L N 4.212 125.366 121.223 -0.114 0.000 2.010 265 L HA -0.269 4.071 4.340 -0.000 0.000 0.219 265 L C 2.477 179.087 176.870 -0.433 0.000 1.077 265 L CA 2.322 56.760 54.840 -0.669 0.000 0.773 265 L CB -2.692 38.859 42.059 -0.848 0.000 0.892 265 L HN 0.257 nan 8.230 nan 0.000 0.436 266 F N 0.359 120.218 119.950 -0.152 0.000 2.202 266 F HA -0.159 4.368 4.527 -0.000 0.000 0.301 266 F C 2.812 178.579 175.800 -0.056 0.000 1.082 266 F CA 1.828 59.773 58.000 -0.091 0.000 1.313 266 F CB -0.653 38.314 39.000 -0.055 0.000 1.024 266 F HN 0.228 nan 8.300 nan 0.000 0.495 267 S N -1.525 114.254 115.700 0.131 0.000 2.387 267 S HA -0.176 4.294 4.470 -0.000 0.000 0.226 267 S C 2.292 176.923 174.600 0.053 0.000 1.026 267 S CA 1.193 59.446 58.200 0.089 0.000 0.972 267 S CB -1.005 62.249 63.200 0.089 0.000 0.814 267 S HN 0.704 nan 8.310 nan 0.000 0.477 268 H N -1.555 117.529 119.070 0.023 0.000 2.423 268 H HA -0.004 4.552 4.556 -0.000 0.000 0.297 268 H C 1.923 177.255 175.328 0.006 0.000 1.075 268 H CA 1.727 57.794 56.048 0.032 0.000 1.342 268 H CB -1.083 28.723 29.762 0.073 0.000 1.395 268 H HN 0.724 nan 8.280 nan 0.000 0.530 269 Y N 0.129 120.411 120.300 -0.031 0.000 2.468 269 Y HA 0.407 4.957 4.550 -0.000 0.000 0.268 269 Y C 1.333 177.247 175.900 0.024 0.000 1.177 269 Y CA 0.363 58.453 58.100 -0.016 0.000 1.265 269 Y CB -0.470 37.952 38.460 -0.063 0.000 1.103 269 Y HN 0.634 nan 8.280 nan 0.000 0.522 270 Q N -0.485 119.340 119.800 0.040 0.000 2.487 270 Q HA -0.236 4.104 4.340 -0.000 0.000 0.279 270 Q C 1.026 177.063 176.000 0.063 0.000 1.228 270 Q CA 1.335 57.169 55.803 0.050 0.000 0.873 270 Q CB -2.542 26.219 28.738 0.039 0.000 1.260 270 Q HN 1.052 nan 8.270 nan 0.000 0.471 271 I N -4.625 116.001 120.570 0.093 0.000 4.035 271 I HA 0.116 4.286 4.170 -0.000 0.000 0.321 271 I C 1.745 177.911 176.117 0.082 0.000 1.289 271 I CA 0.334 61.695 61.300 0.103 0.000 1.236 271 I CB 0.084 38.174 38.000 0.150 0.000 1.076 271 I HN -0.109 nan 8.210 nan 0.000 0.418 272 E N 2.384 122.631 120.200 0.079 0.000 2.204 272 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 272 E C 2.258 178.877 176.600 0.032 0.000 0.990 272 E CA 1.898 58.316 56.400 0.030 0.000 0.821 272 E CB -0.112 29.605 29.700 0.029 0.000 0.750 272 E HN 0.722 nan 8.360 nan 0.000 0.477 273 S N -0.484 115.240 115.700 0.040 0.000 2.357 273 S HA -0.169 4.301 4.470 -0.000 0.000 0.221 273 S C 1.961 176.590 174.600 0.048 0.000 1.031 273 S CA 0.875 59.099 58.200 0.039 0.000 0.982 273 S CB -0.376 62.844 63.200 0.033 0.000 0.853 273 S HN 0.302 nan 8.310 nan 0.000 0.458 274 Q N 0.899 120.726 119.800 0.045 0.000 2.079 274 Q HA 0.092 4.432 4.340 -0.000 0.000 0.200 274 Q C 2.256 178.279 176.000 0.038 0.000 0.974 274 Q CA 1.451 57.278 55.803 0.041 0.000 0.840 274 Q CB -0.547 28.214 28.738 0.039 0.000 0.898 274 Q HN 0.566 nan 8.270 nan 0.000 0.430 275 I N 1.125 121.715 120.570 0.034 0.000 2.185 275 I HA -0.301 3.868 4.170 -0.000 0.000 0.246 275 I C 2.256 178.433 176.117 0.100 0.000 1.088 275 I CA 1.111 62.424 61.300 0.021 0.000 1.347 275 I CB -0.216 37.774 38.000 -0.016 0.000 1.041 275 I HN 0.197 nan 8.210 nan 0.000 0.415 276 E N 0.422 120.714 120.200 0.153 0.000 2.204 276 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 276 E C 2.334 179.123 176.600 0.315 0.000 0.989 276 E CA 1.483 58.061 56.400 0.297 0.000 0.824 276 E CB -0.252 29.521 29.700 0.123 0.000 0.756 276 E HN 0.560 nan 8.360 nan 0.000 0.477 277 S N 0.527 116.311 115.700 0.141 0.000 2.442 277 S HA -0.036 4.434 4.470 -0.000 0.000 0.236 277 S C 2.056 176.687 174.600 0.052 0.000 1.007 277 S CA 0.875 59.131 58.200 0.093 0.000 0.965 277 S CB -0.124 63.105 63.200 0.047 0.000 0.773 277 S HN 0.201 nan 8.310 nan 0.000 0.504 278 A N 0.004 122.810 122.820 -0.024 0.000 2.259 278 A HA 0.204 4.523 4.320 -0.000 0.000 0.212 278 A C 1.456 178.859 177.584 -0.302 0.000 1.178 278 A CA 0.721 52.645 52.037 -0.188 0.000 0.734 278 A CB -0.942 17.879 19.000 -0.299 0.000 0.774 278 A HN 0.640 nan 8.150 nan 0.000 0.481 279 F N -0.661 119.283 119.950 -0.011 0.000 2.656 279 F HA 0.129 4.656 4.527 -0.000 0.000 0.291 279 F C 1.445 177.235 175.800 -0.016 0.000 1.122 279 F CA 0.026 58.020 58.000 -0.010 0.000 1.427 279 F CB -0.001 38.985 39.000 -0.024 0.000 1.125 279 F HN 0.179 nan 8.300 nan 0.000 0.583 280 Q N 0.103 119.985 119.800 0.137 0.000 2.474 280 Q HA 0.248 4.588 4.340 -0.000 0.000 0.256 280 Q C 1.683 177.704 176.000 0.034 0.000 1.048 280 Q CA 0.479 56.325 55.803 0.071 0.000 0.922 280 Q CB 0.666 29.433 28.738 0.048 0.000 1.288 280 Q HN 0.356 nan 8.270 nan 0.000 0.484 281 R N 1.144 121.656 120.500 0.021 0.000 2.105 281 R HA 0.123 4.463 4.340 -0.000 0.000 0.214 281 R C 0.924 177.221 176.300 -0.005 0.000 1.091 281 R CA 1.527 57.629 56.100 0.004 0.000 1.007 281 R CB -0.909 29.392 30.300 0.002 0.000 0.912 281 R HN 0.754 nan 8.270 nan 0.000 0.450 282 E N 0.141 120.341 120.200 -0.000 0.000 2.191 282 E HA 0.638 4.988 4.350 -0.000 0.000 0.278 282 E C -1.121 175.479 176.600 -0.000 0.000 0.972 282 E CA -0.483 55.915 56.400 -0.004 0.000 0.804 282 E CB 1.832 31.530 29.700 -0.003 0.000 1.110 282 E HN 0.378 nan 8.360 nan 0.000 0.394 283 V N 3.931 123.843 119.914 -0.004 0.000 2.482 283 V HA 0.429 4.549 4.120 -0.000 0.000 0.295 283 V C -0.066 176.027 176.094 -0.001 0.000 1.026 283 V CA -1.134 61.166 62.300 -0.001 0.000 0.856 283 V CB 1.581 33.401 31.823 -0.005 0.000 1.001 283 V HN 0.796 nan 8.190 nan 0.000 0.424 284 R N 3.000 123.502 120.500 0.003 0.000 2.489 284 R HA 0.479 4.819 4.340 -0.000 0.000 0.287 284 R C 0.038 176.340 176.300 0.002 0.000 1.053 284 R CA -0.052 56.049 56.100 0.003 0.000 1.036 284 R CB 0.877 31.180 30.300 0.004 0.000 0.966 284 R HN 0.697 nan 8.270 nan 0.000 0.432 285 L N 4.407 125.631 121.223 0.001 0.000 2.395 285 L HA 0.248 4.588 4.340 -0.000 0.000 0.269 285 L C -1.081 175.787 176.870 -0.002 0.000 1.133 285 L CA -1.451 53.388 54.840 -0.001 0.000 0.812 285 L CB -0.522 41.536 42.059 -0.001 0.000 1.125 285 L HN 0.464 nan 8.230 nan 0.000 0.452 286 P HA -0.168 nan 4.420 nan 0.000 0.217 286 P C 1.532 178.829 177.300 -0.005 0.000 1.158 286 P CA 2.083 65.180 63.100 -0.005 0.000 0.887 286 P CB 0.253 31.947 31.700 -0.010 0.000 0.792 287 S N -2.417 113.278 115.700 -0.009 0.000 2.650 287 S HA 0.289 4.759 4.470 -0.000 0.000 0.219 287 S C 1.485 176.083 174.600 -0.002 0.000 0.960 287 S CA 0.775 58.971 58.200 -0.007 0.000 0.925 287 S CB -0.444 62.748 63.200 -0.012 0.000 0.775 287 S HN 0.410 nan 8.310 nan 0.000 0.525 288 G N 0.540 109.339 108.800 -0.001 0.000 2.253 288 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.209 288 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.209 288 G C 0.451 175.353 174.900 0.003 0.000 0.997 288 G CA -0.287 44.815 45.100 0.002 0.000 0.640 288 G HN 0.736 nan 8.290 nan 0.000 0.496 289 G N 0.030 108.832 108.800 0.003 0.000 2.525 289 G HA2 0.703 4.663 3.960 -0.000 0.000 0.276 289 G HA3 0.703 4.663 3.960 -0.000 0.000 0.276 289 G C 0.353 175.255 174.900 0.003 0.000 1.388 289 G CA 1.177 46.280 45.100 0.005 0.000 1.050 289 G HN 1.883 nan 8.290 nan 0.000 0.520 290 S N -1.999 113.703 115.700 0.002 0.000 2.587 290 S HA 0.551 5.021 4.470 -0.000 0.000 0.269 290 S C -0.784 173.811 174.600 -0.008 0.000 1.154 290 S CA -0.771 57.428 58.200 -0.002 0.000 0.824 290 S CB 1.136 64.334 63.200 -0.003 0.000 1.118 290 S HN 1.321 nan 8.310 nan 0.000 0.462 291 I N -0.701 119.859 120.570 -0.016 0.000 2.441 291 I HA 0.887 5.057 4.170 -0.000 0.000 0.295 291 I C -1.160 174.939 176.117 -0.031 0.000 0.994 291 I CA -1.254 60.027 61.300 -0.032 0.000 1.144 291 I CB 1.832 39.806 38.000 -0.043 0.000 1.314 291 I HN 0.422 nan 8.210 nan 0.000 0.445 292 V N 6.996 126.887 119.914 -0.038 0.000 2.357 292 V HA 0.434 4.554 4.120 -0.000 0.000 0.284 292 V C 0.087 176.155 176.094 -0.043 0.000 1.018 292 V CA -0.338 61.942 62.300 -0.033 0.000 0.841 292 V CB 1.416 33.223 31.823 -0.028 0.000 0.991 292 V HN 0.566 nan 8.190 nan 0.000 0.437 293 I N 4.809 125.357 120.570 -0.038 0.000 2.312 293 I HA 0.430 4.599 4.170 -0.000 0.000 0.290 293 I C -0.505 175.591 176.117 -0.035 0.000 1.008 293 I CA -0.183 61.090 61.300 -0.043 0.000 1.226 293 I CB 1.110 39.084 38.000 -0.044 0.000 1.371 293 I HN 0.502 nan 8.210 nan 0.000 0.468 294 D N 4.721 125.098 120.400 -0.039 0.000 2.362 294 D HA 0.354 4.994 4.640 -0.000 0.000 0.247 294 D C -0.497 175.782 176.300 -0.034 0.000 1.050 294 D CA -0.219 53.762 54.000 -0.032 0.000 0.839 294 D CB 2.387 43.168 40.800 -0.032 0.000 1.283 294 D HN 0.481 nan 8.370 nan 0.000 0.477 295 S N 0.202 115.885 115.700 -0.028 0.000 2.472 295 S HA 0.723 5.193 4.470 -0.000 0.000 0.303 295 S C 0.196 174.780 174.600 -0.027 0.000 1.099 295 S CA -0.572 57.611 58.200 -0.029 0.000 1.077 295 S CB 1.738 64.921 63.200 -0.027 0.000 1.031 295 S HN 0.463 nan 8.310 nan 0.000 0.487 296 T N 0.092 114.629 114.554 -0.029 0.000 2.844 296 T HA 0.500 4.850 4.350 -0.000 0.000 0.274 296 T C 0.949 175.633 174.700 -0.025 0.000 0.991 296 T CA -0.388 61.695 62.100 -0.027 0.000 0.983 296 T CB 0.699 69.549 68.868 -0.030 0.000 1.310 296 T HN 0.611 nan 8.240 nan 0.000 0.596 297 E N 0.528 120.714 120.200 -0.024 0.000 2.023 297 E HA -0.057 4.293 4.350 -0.000 0.000 0.196 297 E C 2.218 178.804 176.600 -0.023 0.000 1.003 297 E CA 1.843 58.229 56.400 -0.022 0.000 0.809 297 E CB -0.827 28.860 29.700 -0.021 0.000 0.755 297 E HN 0.734 nan 8.360 nan 0.000 0.449 298 A N -0.543 122.262 122.820 -0.025 0.000 2.021 298 A HA 0.276 4.596 4.320 -0.000 0.000 0.216 298 A C 0.482 178.051 177.584 -0.026 0.000 1.163 298 A CA 1.062 53.084 52.037 -0.024 0.000 0.676 298 A CB -0.308 18.677 19.000 -0.025 0.000 0.818 298 A HN 0.329 nan 8.150 nan 0.000 0.453 299 L N -5.969 115.237 121.223 -0.029 0.000 2.892 299 L HA 0.623 4.963 4.340 -0.000 0.000 0.269 299 L C -0.907 175.942 176.870 -0.035 0.000 1.058 299 L CA -0.645 54.176 54.840 -0.031 0.000 0.923 299 L CB 1.198 43.238 42.059 -0.032 0.000 1.518 299 L HN -0.245 nan 8.230 nan 0.000 0.402 300 T N 0.885 115.416 114.554 -0.039 0.000 2.767 300 T HA 0.847 5.197 4.350 -0.000 0.000 0.284 300 T C -0.278 174.392 174.700 -0.051 0.000 0.973 300 T CA 0.061 62.135 62.100 -0.044 0.000 0.996 300 T CB 1.321 70.161 68.868 -0.047 0.000 0.927 300 T HN 0.929 nan 8.240 nan 0.000 0.456 301 A N 3.952 126.740 122.820 -0.053 0.000 2.318 301 A HA 0.804 5.124 4.320 -0.000 0.000 0.317 301 A C -0.531 177.009 177.584 -0.073 0.000 1.159 301 A CA -0.748 51.251 52.037 -0.063 0.000 0.799 301 A CB 0.414 19.382 19.000 -0.055 0.000 1.194 301 A HN 0.866 nan 8.150 nan 0.000 0.479 302 I N 2.086 122.596 120.570 -0.100 0.000 2.389 302 I HA 0.310 4.480 4.170 -0.000 0.000 0.288 302 I C -0.650 175.386 176.117 -0.136 0.000 0.999 302 I CA -0.449 60.782 61.300 -0.115 0.000 1.129 302 I CB 1.957 39.874 38.000 -0.140 0.000 1.288 302 I HN 0.693 nan 8.210 nan 0.000 0.444 303 D N 6.295 126.636 120.400 -0.098 0.000 2.268 303 D HA 0.668 5.308 4.640 -0.000 0.000 0.249 303 D C -0.940 175.314 176.300 -0.077 0.000 1.008 303 D CA -0.233 53.716 54.000 -0.084 0.000 0.939 303 D CB 1.524 42.295 40.800 -0.049 0.000 1.170 303 D HN 0.318 nan 8.370 nan 0.000 0.468 304 I N 2.486 123.023 120.570 -0.055 0.000 2.466 304 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 304 I C -0.628 175.493 176.117 0.007 0.000 1.026 304 I CA -0.930 60.357 61.300 -0.023 0.000 1.078 304 I CB 1.729 39.727 38.000 -0.004 0.000 1.249 304 I HN 0.208 nan 8.210 nan 0.000 0.429 305 N N 3.941 122.645 118.700 0.008 0.000 2.314 305 N HA 0.467 5.207 4.740 -0.000 0.000 0.304 305 N C -0.586 174.934 175.510 0.018 0.000 1.073 305 N CA -0.580 52.478 53.050 0.014 0.000 0.822 305 N CB 2.211 40.702 38.487 0.007 0.000 1.280 305 N HN 0.646 nan 8.380 nan 0.000 0.489 306 S N -0.093 115.620 115.700 0.022 0.000 2.707 306 S HA 0.739 5.209 4.470 -0.000 0.000 0.276 306 S C 0.623 175.232 174.600 0.014 0.000 1.179 306 S CA -0.839 57.373 58.200 0.020 0.000 0.992 306 S CB 0.970 64.185 63.200 0.026 0.000 1.030 306 S HN 0.695 nan 8.310 nan 0.000 0.554 314 D N 1.093 121.506 120.400 0.021 0.000 2.371 314 D HA 0.247 4.887 4.640 -0.000 0.000 0.256 314 D C 1.683 178.001 176.300 0.029 0.000 1.193 314 D CA -0.410 53.605 54.000 0.025 0.000 0.881 314 D CB 0.888 41.704 40.800 0.026 0.000 1.143 314 D HN 0.247 nan 8.370 nan 0.000 0.473 315 I N 2.761 123.350 120.570 0.031 0.000 2.179 315 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 315 I C 2.234 178.379 176.117 0.047 0.000 1.088 315 I CA 0.793 62.115 61.300 0.036 0.000 1.357 315 I CB -0.159 37.861 38.000 0.034 0.000 1.051 315 I HN 0.566 nan 8.210 nan 0.000 0.409 316 E N 1.049 121.280 120.200 0.052 0.000 2.077 316 E HA -0.281 4.069 4.350 -0.000 0.000 0.193 316 E C 2.305 178.926 176.600 0.036 0.000 0.989 316 E CA 1.825 58.265 56.400 0.068 0.000 0.800 316 E CB 0.064 29.822 29.700 0.097 0.000 0.746 316 E HN 0.570 nan 8.360 nan 0.000 0.452 317 E N 0.089 120.309 120.200 0.033 0.000 2.072 317 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 317 E C 1.987 178.626 176.600 0.064 0.000 0.985 317 E CA 1.639 58.067 56.400 0.047 0.000 0.801 317 E CB -1.256 28.469 29.700 0.042 0.000 0.750 317 E HN 0.308 nan 8.360 nan 0.000 0.452 318 T N 0.363 114.944 114.554 0.045 0.000 2.674 318 T HA 0.036 4.385 4.350 -0.000 0.000 0.265 318 T C 2.415 177.139 174.700 0.040 0.000 1.039 318 T CA 1.863 63.984 62.100 0.034 0.000 1.150 318 T CB -0.554 68.332 68.868 0.030 0.000 0.864 318 T HN 0.617 nan 8.240 nan 0.000 0.427 319 A N 1.263 124.119 122.820 0.060 0.000 1.892 319 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 319 A C 2.048 179.684 177.584 0.086 0.000 1.188 319 A CA 1.757 53.840 52.037 0.077 0.000 0.631 319 A CB -1.069 17.988 19.000 0.095 0.000 0.822 319 A HN 0.454 nan 8.150 nan 0.000 0.447 320 F N 1.539 121.423 119.950 -0.111 0.000 2.075 320 F HA -0.162 4.365 4.527 -0.000 0.000 0.297 320 F C 2.718 178.447 175.800 -0.119 0.000 1.113 320 F CA 2.100 59.990 58.000 -0.184 0.000 1.218 320 F CB -1.089 37.662 39.000 -0.414 0.000 0.984 320 F HN 0.366 nan 8.300 nan 0.000 0.472 321 N N -0.650 117.943 118.700 -0.177 0.000 2.104 321 N HA -0.211 4.529 4.740 -0.000 0.000 0.190 321 N C 1.741 177.145 175.510 -0.176 0.000 1.024 321 N CA 2.356 55.266 53.050 -0.233 0.000 0.853 321 N CB -1.613 36.824 38.487 -0.083 0.000 1.008 321 N HN 0.455 nan 8.380 nan 0.000 0.424 322 T N 0.514 115.019 114.554 -0.083 0.000 2.684 322 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 322 T C 1.677 176.363 174.700 -0.023 0.000 1.036 322 T CA 1.235 63.314 62.100 -0.034 0.000 1.148 322 T CB -0.418 68.456 68.868 0.010 0.000 0.863 322 T HN 0.496 nan 8.240 nan 0.000 0.436 323 N N 1.271 119.954 118.700 -0.028 0.000 2.104 323 N HA 0.002 4.742 4.740 -0.000 0.000 0.190 323 N C 1.881 177.338 175.510 -0.088 0.000 1.024 323 N CA 0.867 53.933 53.050 0.028 0.000 0.853 323 N CB -0.573 37.888 38.487 -0.042 0.000 1.008 323 N HN 0.359 nan 8.380 nan 0.000 0.424 324 L N 1.235 122.287 121.223 -0.286 0.000 2.046 324 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 324 L C 2.768 179.555 176.870 -0.138 0.000 1.077 324 L CA 1.886 56.547 54.840 -0.298 0.000 0.747 324 L CB -0.911 40.861 42.059 -0.479 0.000 0.896 324 L HN 0.290 nan 8.230 nan 0.000 0.432 325 E N 0.456 120.592 120.200 -0.106 0.000 2.106 325 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 325 E C 2.264 178.862 176.600 -0.004 0.000 0.984 325 E CA 1.373 57.743 56.400 -0.050 0.000 0.806 325 E CB -0.722 28.952 29.700 -0.043 0.000 0.750 325 E HN 0.575 nan 8.360 nan 0.000 0.458 326 A N 0.967 123.808 122.820 0.035 0.000 1.877 326 A HA 0.253 4.573 4.320 -0.000 0.000 0.216 326 A C 2.866 180.518 177.584 0.113 0.000 1.186 326 A CA 2.476 54.560 52.037 0.079 0.000 0.620 326 A CB -0.834 18.245 19.000 0.132 0.000 0.822 326 A HN 1.028 nan 8.150 nan 0.000 0.443 327 A N 0.183 123.113 122.820 0.184 0.000 1.892 327 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 327 A C 1.814 179.443 177.584 0.075 0.000 1.188 327 A CA 2.084 54.230 52.037 0.182 0.000 0.631 327 A CB -0.728 18.338 19.000 0.110 0.000 0.822 327 A HN 0.494 nan 8.150 nan 0.000 0.447 328 D N -0.841 119.577 120.400 0.029 0.000 2.104 328 D HA -0.151 4.489 4.640 -0.000 0.000 0.194 328 D C 1.968 178.279 176.300 0.019 0.000 0.994 328 D CA 1.755 55.762 54.000 0.011 0.000 0.830 328 D CB -0.317 40.476 40.800 -0.012 0.000 0.959 328 D HN 0.545 nan 8.370 nan 0.000 0.452 329 E N 0.703 120.914 120.200 0.017 0.000 2.047 329 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 329 E C 2.231 178.835 176.600 0.007 0.000 0.987 329 E CA 0.574 56.981 56.400 0.012 0.000 0.799 329 E CB -0.406 29.297 29.700 0.007 0.000 0.752 329 E HN 0.280 nan 8.360 nan 0.000 0.449 330 I N 0.583 121.157 120.570 0.008 0.000 2.151 330 I HA -0.350 3.820 4.170 -0.000 0.000 0.243 330 I C 2.401 178.518 176.117 0.000 0.000 1.080 330 I CA 1.375 62.671 61.300 -0.008 0.000 1.339 330 I CB -0.521 37.471 38.000 -0.014 0.000 1.039 330 I HN 0.186 nan 8.210 nan 0.000 0.409 331 A N 0.475 123.306 122.820 0.018 0.000 1.917 331 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 331 A C 2.460 180.055 177.584 0.019 0.000 1.182 331 A CA 2.212 54.261 52.037 0.020 0.000 0.633 331 A CB -0.702 18.315 19.000 0.028 0.000 0.819 331 A HN 0.427 nan 8.150 nan 0.000 0.448 332 R N -1.456 119.058 120.500 0.025 0.000 2.127 332 R HA -0.064 4.276 4.340 -0.000 0.000 0.217 332 R C 2.154 178.452 176.300 -0.003 0.000 1.074 332 R CA 0.920 57.038 56.100 0.030 0.000 0.991 332 R CB -0.164 30.171 30.300 0.057 0.000 0.895 332 R HN 0.455 nan 8.270 nan 0.000 0.450 333 Q N 0.778 120.570 119.800 -0.014 0.000 2.119 333 Q HA -0.123 4.217 4.340 -0.000 0.000 0.201 333 Q C 2.198 178.167 176.000 -0.051 0.000 0.972 333 Q CA 1.193 56.973 55.803 -0.038 0.000 0.847 333 Q CB -0.178 28.537 28.738 -0.037 0.000 0.903 333 Q HN 0.408 nan 8.270 nan 0.000 0.433 334 L N 0.006 121.206 121.223 -0.039 0.000 2.127 334 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 334 L C 2.549 179.389 176.870 -0.050 0.000 1.089 334 L CA 1.220 56.034 54.840 -0.044 0.000 0.757 334 L CB -0.286 41.756 42.059 -0.030 0.000 0.899 334 L HN 0.170 nan 8.230 nan 0.000 0.434 335 R N -0.391 120.083 120.500 -0.043 0.000 2.066 335 R HA -0.027 4.313 4.340 -0.000 0.000 0.224 335 R C 2.532 178.787 176.300 -0.075 0.000 1.122 335 R CA 1.242 57.312 56.100 -0.051 0.000 0.974 335 R CB -0.552 29.728 30.300 -0.033 0.000 0.871 335 R HN 0.319 nan 8.270 nan 0.000 0.435 336 L N 0.836 122.011 121.223 -0.079 0.000 2.093 336 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 336 L C 2.340 179.116 176.870 -0.157 0.000 1.085 336 L CA 1.811 56.586 54.840 -0.109 0.000 0.755 336 L CB -1.150 40.850 42.059 -0.098 0.000 0.904 336 L HN 0.166 nan 8.230 nan 0.000 0.435 337 R N -1.139 119.271 120.500 -0.150 0.000 2.153 337 R HA -0.015 4.325 4.340 -0.000 0.000 0.218 337 R C 0.888 177.101 176.300 -0.145 0.000 1.072 337 R CA 0.558 56.551 56.100 -0.179 0.000 0.990 337 R CB -0.021 30.191 30.300 -0.146 0.000 0.889 337 R HN 0.739 nan 8.270 nan 0.000 0.452 338 D N 0.392 120.726 120.400 -0.110 0.000 2.775 338 D HA -0.166 4.474 4.640 -0.000 0.000 0.235 338 D C -0.994 175.257 176.300 -0.082 0.000 1.120 338 D CA 0.378 54.323 54.000 -0.092 0.000 0.708 338 D CB -0.970 39.771 40.800 -0.099 0.000 1.084 338 D HN 0.154 nan 8.370 nan 0.000 0.434 339 L N 0.478 121.656 121.223 -0.075 0.000 2.455 339 L HA 0.403 4.742 4.340 -0.000 0.000 0.272 339 L C 1.598 178.436 176.870 -0.053 0.000 1.174 339 L CA 0.833 55.634 54.840 -0.064 0.000 0.869 339 L CB 1.046 43.069 42.059 -0.060 0.000 1.130 339 L HN 0.210 nan 8.230 nan 0.000 0.474 340 G N 1.244 110.014 108.800 -0.050 0.000 2.537 340 G HA2 0.663 4.623 3.960 -0.000 0.000 0.308 340 G HA3 0.663 4.623 3.960 -0.000 0.000 0.308 340 G C -0.122 174.756 174.900 -0.037 0.000 1.237 340 G CA -0.002 45.072 45.100 -0.042 0.000 0.968 340 G HN 0.959 nan 8.290 nan 0.000 0.481 341 G N -0.914 107.868 108.800 -0.031 0.000 2.542 341 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.235 341 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.235 341 G C -0.067 174.818 174.900 -0.025 0.000 1.286 341 G CA -0.186 44.898 45.100 -0.027 0.000 0.904 341 G HN 1.034 nan 8.290 nan 0.000 0.577 342 L N 0.572 121.780 121.223 -0.024 0.000 2.367 342 L HA 0.619 4.959 4.340 -0.000 0.000 0.275 342 L C 0.448 177.301 176.870 -0.027 0.000 1.129 342 L CA -0.135 54.692 54.840 -0.022 0.000 0.839 342 L CB 0.665 42.712 42.059 -0.019 0.000 1.133 342 L HN 0.433 nan 8.230 nan 0.000 0.453 343 I N 3.451 124.005 120.570 -0.027 0.000 2.569 343 I HA 0.425 4.595 4.170 -0.000 0.000 0.290 343 I C -0.824 175.271 176.117 -0.036 0.000 1.088 343 I CA -0.698 60.580 61.300 -0.036 0.000 1.047 343 I CB 2.500 40.477 38.000 -0.039 0.000 1.237 343 I HN 0.177 nan 8.210 nan 0.000 0.421 344 V N 6.814 126.698 119.914 -0.050 0.000 2.540 344 V HA 0.535 4.655 4.120 -0.000 0.000 0.302 344 V C -0.319 175.714 176.094 -0.102 0.000 1.035 344 V CA -0.495 61.772 62.300 -0.054 0.000 0.873 344 V CB 2.212 34.010 31.823 -0.042 0.000 0.992 344 V HN 0.457 nan 8.190 nan 0.000 0.428 345 I N 3.026 123.511 120.570 -0.142 0.000 2.418 345 I HA 0.359 4.529 4.170 -0.000 0.000 0.287 345 I C -0.771 175.167 176.117 -0.298 0.000 1.008 345 I CA -0.354 60.759 61.300 -0.312 0.000 1.104 345 I CB 1.917 39.583 38.000 -0.558 0.000 1.264 345 I HN 0.543 nan 8.210 nan 0.000 0.438 346 D N 6.874 127.130 120.400 -0.241 0.000 2.522 346 D HA 0.250 4.890 4.640 -0.000 0.000 0.218 346 D C -0.478 175.754 176.300 -0.113 0.000 1.149 346 D CA -0.243 53.692 54.000 -0.108 0.000 0.981 346 D CB 0.140 40.913 40.800 -0.045 0.000 1.041 346 D HN 0.041 nan 8.370 nan 0.000 0.518 347 F N 2.533 122.505 119.950 0.036 0.000 2.563 347 F HA 0.161 4.688 4.527 -0.000 0.000 0.363 347 F C 1.349 177.176 175.800 0.044 0.000 1.123 347 F CA -0.383 57.638 58.000 0.036 0.000 1.307 347 F CB 0.311 39.338 39.000 0.046 0.000 1.115 347 F HN 0.202 nan 8.300 nan 0.000 0.592 348 I N 3.644 124.360 120.570 0.244 0.000 2.821 348 I HA -0.143 4.027 4.170 -0.000 0.000 0.294 348 I C 0.315 176.533 176.117 0.169 0.000 1.210 348 I CA 0.208 61.604 61.300 0.159 0.000 1.430 348 I CB -0.167 37.908 38.000 0.124 0.000 1.356 348 I HN 0.429 nan 8.210 nan 0.000 0.563 349 D N 7.407 127.886 120.400 0.132 0.000 2.472 349 D HA 0.229 4.869 4.640 -0.000 0.000 0.237 349 D C -0.180 176.191 176.300 0.119 0.000 1.141 349 D CA 0.693 54.765 54.000 0.121 0.000 0.875 349 D CB 0.660 41.515 40.800 0.092 0.000 1.192 349 D HN 0.323 nan 8.370 nan 0.000 0.450 350 M N 0.635 120.307 119.600 0.121 0.000 2.263 350 M HA 0.140 4.620 4.480 -0.000 0.000 0.295 350 M C 1.161 177.518 176.300 0.095 0.000 1.028 350 M CA -0.653 54.734 55.300 0.146 0.000 0.921 350 M CB 2.336 35.063 32.600 0.211 0.000 1.601 350 M HN 0.295 nan 8.290 nan 0.000 0.440 351 T N -1.077 113.522 114.554 0.075 0.000 2.770 351 T HA 0.103 4.453 4.350 -0.000 0.000 0.263 351 T C -1.398 173.267 174.700 -0.059 0.000 1.039 351 T CA 0.453 62.559 62.100 0.009 0.000 1.142 351 T CB -1.539 67.331 68.868 0.003 0.000 0.868 351 T HN 0.424 nan 8.240 nan 0.000 0.435 352 P HA 0.395 nan 4.420 nan 0.000 0.280 352 P C 1.036 178.189 177.300 -0.245 0.000 1.244 352 P CA -0.325 62.595 63.100 -0.301 0.000 0.784 352 P CB 1.656 32.965 31.700 -0.652 0.000 0.913 353 V N 2.984 122.797 119.914 -0.168 0.000 2.332 353 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 353 V C 3.095 179.137 176.094 -0.087 0.000 1.055 353 V CA 2.968 65.210 62.300 -0.097 0.000 1.038 353 V CB -1.519 30.257 31.823 -0.078 0.000 0.651 353 V HN 0.708 nan 8.190 nan 0.000 0.450 354 R N -0.917 119.494 120.500 -0.149 0.000 2.148 354 R HA -0.178 4.162 4.340 -0.000 0.000 0.227 354 R C 1.931 178.215 176.300 -0.026 0.000 1.103 354 R CA 1.784 57.826 56.100 -0.096 0.000 0.983 354 R CB -1.640 28.586 30.300 -0.123 0.000 0.874 354 R HN 0.815 nan 8.270 nan 0.000 0.451 355 H N 0.012 118.978 119.070 -0.174 0.000 2.387 355 H HA -0.133 4.423 4.556 -0.000 0.000 0.299 355 H C 2.397 177.768 175.328 0.072 0.000 1.099 355 H CA 1.436 57.370 56.048 -0.190 0.000 1.315 355 H CB 0.244 29.855 29.762 -0.251 0.000 1.380 355 H HN 0.565 nan 8.280 nan 0.000 0.513 356 Q N 0.489 120.369 119.800 0.132 0.000 2.020 356 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 356 Q C 2.426 178.456 176.000 0.050 0.000 0.982 356 Q CA 1.051 56.894 55.803 0.066 0.000 0.838 356 Q CB 0.025 28.793 28.738 0.050 0.000 0.899 356 Q HN 0.386 nan 8.270 nan 0.000 0.423 357 R N 0.175 120.712 120.500 0.062 0.000 2.096 357 R HA -0.159 4.181 4.340 -0.000 0.000 0.240 357 R C 2.285 178.625 176.300 0.066 0.000 1.139 357 R CA 1.344 57.483 56.100 0.064 0.000 0.952 357 R CB -0.538 29.794 30.300 0.053 0.000 0.854 357 R HN 0.254 nan 8.270 nan 0.000 0.436 358 A N 0.578 123.473 122.820 0.125 0.000 1.972 358 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 358 A C 2.359 179.994 177.584 0.085 0.000 1.169 358 A CA 1.396 53.542 52.037 0.181 0.000 0.635 358 A CB -0.327 18.922 19.000 0.414 0.000 0.810 358 A HN 0.133 nan 8.150 nan 0.000 0.446 359 V N -0.141 119.785 119.914 0.019 0.000 2.407 359 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 359 V C 2.304 178.260 176.094 -0.229 0.000 1.041 359 V CA 1.939 64.102 62.300 -0.228 0.000 1.040 359 V CB -0.810 30.719 31.823 -0.490 0.000 0.671 359 V HN 0.623 nan 8.190 nan 0.000 0.455 360 E N 0.544 120.657 120.200 -0.145 0.000 2.005 360 E HA -0.239 4.111 4.350 -0.000 0.000 0.198 360 E C 2.152 178.730 176.600 -0.037 0.000 1.010 360 E CA 1.481 57.839 56.400 -0.071 0.000 0.825 360 E CB -0.350 29.333 29.700 -0.028 0.000 0.769 360 E HN 0.456 nan 8.360 nan 0.000 0.456 361 N N 0.806 119.498 118.700 -0.013 0.000 2.133 361 N HA -0.244 4.496 4.740 -0.000 0.000 0.193 361 N C 1.742 177.246 175.510 -0.011 0.000 1.012 361 N CA 1.331 54.380 53.050 -0.002 0.000 0.871 361 N CB -0.329 38.169 38.487 0.018 0.000 1.011 361 N HN 0.135 nan 8.380 nan 0.000 0.435 362 R N 0.534 121.019 120.500 -0.025 0.000 2.082 362 R HA -0.102 4.238 4.340 -0.000 0.000 0.228 362 R C 2.220 178.508 176.300 -0.020 0.000 1.140 362 R CA 1.282 57.361 56.100 -0.036 0.000 0.920 362 R CB -0.802 29.451 30.300 -0.078 0.000 0.828 362 R HN 0.132 nan 8.270 nan 0.000 0.430 363 L N 1.532 122.749 121.223 -0.011 0.000 2.103 363 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 363 L C 2.330 179.210 176.870 0.018 0.000 1.080 363 L CA 1.906 56.765 54.840 0.032 0.000 0.764 363 L CB -0.429 41.685 42.059 0.091 0.000 0.890 363 L HN 0.241 nan 8.230 nan 0.000 0.435 364 R N -0.955 119.547 120.500 0.003 0.000 2.081 364 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 364 R C 2.202 178.503 176.300 0.001 0.000 1.131 364 R CA 1.407 57.506 56.100 -0.001 0.000 0.960 364 R CB -0.377 29.918 30.300 -0.010 0.000 0.856 364 R HN 0.458 nan 8.270 nan 0.000 0.436 365 E N 0.509 120.707 120.200 -0.002 0.000 2.051 365 E HA -0.152 4.197 4.350 -0.000 0.000 0.192 365 E C 1.957 178.555 176.600 -0.003 0.000 0.991 365 E CA 1.349 57.746 56.400 -0.004 0.000 0.799 365 E CB -0.139 29.555 29.700 -0.010 0.000 0.748 365 E HN 0.311 nan 8.360 nan 0.000 0.449 366 A N 0.894 123.713 122.820 -0.002 0.000 2.019 366 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 366 A C 2.271 179.864 177.584 0.015 0.000 1.164 366 A CA 1.687 53.726 52.037 0.003 0.000 0.644 366 A CB -0.357 18.648 19.000 0.008 0.000 0.805 366 A HN 0.206 nan 8.150 nan 0.000 0.449 367 V N -2.998 116.925 119.914 0.014 0.000 3.621 367 V HA 0.204 4.324 4.120 -0.000 0.000 0.285 367 V C 1.835 177.936 176.094 0.012 0.000 1.346 367 V CA 0.865 63.174 62.300 0.015 0.000 1.104 367 V CB -0.760 31.070 31.823 0.011 0.000 0.913 367 V HN 0.525 nan 8.190 nan 0.000 0.432 368 R N 2.090 122.596 120.500 0.011 0.000 2.105 368 R HA -0.225 4.115 4.340 -0.000 0.000 0.239 368 R C 2.258 178.565 176.300 0.011 0.000 1.135 368 R CA 2.496 58.602 56.100 0.010 0.000 0.967 368 R CB -0.179 30.127 30.300 0.010 0.000 0.861 368 R HN 0.858 nan 8.270 nan 0.000 0.442 369 Q N -0.333 119.481 119.800 0.023 0.000 2.408 369 Q HA 0.029 4.368 4.340 -0.000 0.000 0.205 369 Q C -0.225 175.790 176.000 0.026 0.000 0.919 369 Q CA -0.100 55.724 55.803 0.035 0.000 0.932 369 Q CB 0.097 28.883 28.738 0.079 0.000 1.058 369 Q HN 0.109 nan 8.270 nan 0.000 0.517 370 D N 1.070 121.480 120.400 0.018 0.000 2.455 370 D HA 0.034 4.674 4.640 -0.000 0.000 0.241 370 D C 1.118 177.405 176.300 -0.022 0.000 1.138 370 D CA 0.716 54.715 54.000 -0.001 0.000 0.877 370 D CB 1.214 42.013 40.800 -0.002 0.000 1.187 370 D HN 0.307 nan 8.370 nan 0.000 0.451 371 R N 3.142 123.621 120.500 -0.035 0.000 2.119 371 R HA 0.257 4.597 4.340 -0.000 0.000 0.222 371 R C 1.369 177.641 176.300 -0.047 0.000 1.088 371 R CA 1.230 57.300 56.100 -0.049 0.000 0.984 371 R CB -1.042 29.225 30.300 -0.056 0.000 0.884 371 R HN 0.654 nan 8.270 nan 0.000 0.447 372 A N 0.607 123.403 122.820 -0.040 0.000 2.445 372 A HA 0.555 4.875 4.320 -0.000 0.000 0.242 372 A C 0.892 178.457 177.584 -0.032 0.000 1.075 372 A CA 0.186 52.201 52.037 -0.037 0.000 0.777 372 A CB -0.254 18.724 19.000 -0.036 0.000 1.013 372 A HN 1.051 nan 8.150 nan 0.000 0.493 373 R N 1.364 121.846 120.500 -0.030 0.000 2.404 373 R HA 0.478 4.818 4.340 -0.000 0.000 0.315 373 R C -0.485 175.804 176.300 -0.020 0.000 1.032 373 R CA 0.509 56.594 56.100 -0.024 0.000 0.992 373 R CB -0.722 29.564 30.300 -0.022 0.000 0.959 373 R HN 0.672 nan 8.270 nan 0.000 0.428 374 I N 2.155 122.715 120.570 -0.016 0.000 2.465 374 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 374 I C -0.083 176.028 176.117 -0.010 0.000 1.014 374 I CA -0.666 60.626 61.300 -0.013 0.000 1.093 374 I CB 2.405 40.399 38.000 -0.010 0.000 1.267 374 I HN 0.693 nan 8.210 nan 0.000 0.431 375 Q N 6.477 126.271 119.800 -0.010 0.000 2.340 375 Q HA 0.678 5.018 4.340 -0.000 0.000 0.268 375 Q C -1.288 174.704 176.000 -0.013 0.000 1.031 375 Q CA -0.630 55.166 55.803 -0.011 0.000 0.804 375 Q CB 3.259 31.992 28.738 -0.007 0.000 1.286 375 Q HN 0.507 nan 8.270 nan 0.000 0.448 376 I N 1.698 122.253 120.570 -0.026 0.000 2.478 376 I HA 0.281 4.451 4.170 -0.000 0.000 0.287 376 I C 0.101 176.167 176.117 -0.086 0.000 1.042 376 I CA -0.444 60.836 61.300 -0.034 0.000 1.067 376 I CB 1.981 39.965 38.000 -0.027 0.000 1.233 376 I HN 0.660 nan 8.210 nan 0.000 0.431 377 S N 4.754 120.416 115.700 -0.063 0.000 2.690 377 S HA 0.532 5.002 4.470 -0.000 0.000 0.285 377 S C -0.059 174.454 174.600 -0.146 0.000 1.135 377 S CA -0.697 57.440 58.200 -0.104 0.000 1.020 377 S CB 0.916 64.135 63.200 0.032 0.000 1.159 377 S HN 0.504 nan 8.310 nan 0.000 0.534 378 H N -0.523 118.581 119.070 0.058 0.000 2.499 378 H HA 0.399 4.955 4.556 -0.000 0.000 0.352 378 H C -0.160 175.217 175.328 0.082 0.000 1.237 378 H CA -0.558 55.525 56.048 0.059 0.000 1.343 378 H CB 0.588 30.374 29.762 0.039 0.000 1.578 378 H HN 0.484 nan 8.280 nan 0.000 0.577 379 I N 2.398 123.097 120.570 0.215 0.000 2.581 379 I HA -0.082 4.088 4.170 -0.000 0.000 0.285 379 I C 1.160 177.367 176.117 0.150 0.000 1.129 379 I CA -0.000 61.409 61.300 0.182 0.000 1.397 379 I CB 0.164 38.257 38.000 0.154 0.000 1.399 379 I HN 0.494 nan 8.210 nan 0.000 0.537 380 S N 6.629 122.422 115.700 0.155 0.000 2.617 380 S HA 0.167 4.637 4.470 -0.000 0.000 0.259 380 S C 1.181 175.814 174.600 0.056 0.000 1.301 380 S CA -0.731 57.545 58.200 0.126 0.000 0.984 380 S CB 0.740 64.066 63.200 0.211 0.000 0.954 380 S HN 0.809 nan 8.310 nan 0.000 0.572 381 R N -0.710 119.743 120.500 -0.079 0.000 2.339 381 R HA 0.107 4.447 4.340 -0.000 0.000 0.199 381 R C 0.519 176.615 176.300 -0.341 0.000 1.018 381 R CA 0.882 56.843 56.100 -0.231 0.000 1.036 381 R CB -0.706 29.386 30.300 -0.347 0.000 0.899 381 R HN 0.624 nan 8.270 nan 0.000 0.473 382 F N 0.660 120.633 119.950 0.039 0.000 2.776 382 F HA 0.358 4.885 4.527 -0.000 0.000 0.300 382 F C 1.511 177.342 175.800 0.051 0.000 1.116 382 F CA 0.424 58.447 58.000 0.037 0.000 1.375 382 F CB 0.786 39.804 39.000 0.030 0.000 1.109 382 F HN 0.275 nan 8.300 nan 0.000 0.585 383 G N 1.281 110.197 108.800 0.194 0.000 2.137 383 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.237 383 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.237 383 G C -0.098 174.922 174.900 0.198 0.000 1.002 383 G CA -0.301 44.906 45.100 0.178 0.000 0.702 383 G HN 0.258 nan 8.290 nan 0.000 0.515 384 L N -0.086 121.257 121.223 0.199 0.000 2.309 384 L HA 0.731 5.071 4.340 -0.000 0.000 0.282 384 L C 0.148 177.116 176.870 0.163 0.000 1.036 384 L CA -1.237 53.692 54.840 0.148 0.000 0.806 384 L CB 1.642 43.767 42.059 0.111 0.000 1.220 384 L HN 0.126 nan 8.230 nan 0.000 0.429 385 L N 3.362 124.675 121.223 0.150 0.000 2.287 385 L HA 0.386 4.726 4.340 -0.000 0.000 0.287 385 L C -0.329 176.588 176.870 0.079 0.000 1.022 385 L CA 0.066 55.004 54.840 0.163 0.000 0.814 385 L CB 1.266 43.511 42.059 0.311 0.000 1.217 385 L HN 0.498 nan 8.230 nan 0.000 0.420 386 E N 6.460 126.702 120.200 0.070 0.000 2.249 386 E HA 0.594 4.944 4.350 -0.000 0.000 0.280 386 E C -0.658 175.958 176.600 0.026 0.000 1.016 386 E CA -0.331 56.091 56.400 0.036 0.000 0.830 386 E CB 1.505 31.227 29.700 0.038 0.000 1.081 386 E HN 0.711 nan 8.360 nan 0.000 0.395 387 M N -0.256 119.350 119.600 0.010 0.000 2.520 387 M HA 0.556 5.036 4.480 -0.000 0.000 0.283 387 M C -1.116 175.181 176.300 -0.006 0.000 1.237 387 M CA -0.863 54.439 55.300 0.003 0.000 0.885 387 M CB 2.237 34.842 32.600 0.008 0.000 1.727 387 M HN 0.360 nan 8.290 nan 0.000 0.468 388 S N 1.355 117.050 115.700 -0.008 0.000 2.532 388 S HA 0.833 5.303 4.470 -0.000 0.000 0.301 388 S C -0.965 173.626 174.600 -0.016 0.000 1.083 388 S CA -0.890 57.302 58.200 -0.013 0.000 1.025 388 S CB 2.345 65.538 63.200 -0.011 0.000 1.056 388 S HN 0.982 nan 8.310 nan 0.000 0.494 389 R N 1.205 121.692 120.500 -0.021 0.000 2.532 389 R HA 0.311 4.651 4.340 -0.000 0.000 0.297 389 R C -0.873 175.411 176.300 -0.027 0.000 0.984 389 R CA -0.445 55.641 56.100 -0.024 0.000 0.884 389 R CB 1.617 31.900 30.300 -0.027 0.000 1.182 389 R HN 0.880 nan 8.270 nan 0.000 0.442 390 Q N 2.532 122.316 119.800 -0.027 0.000 2.311 390 Q HA 0.131 4.471 4.340 -0.000 0.000 0.272 390 Q C -0.688 175.292 176.000 -0.035 0.000 1.012 390 Q CA 0.113 55.899 55.803 -0.029 0.000 0.891 390 Q CB 0.683 29.404 28.738 -0.028 0.000 1.201 390 Q HN 0.700 nan 8.270 nan 0.000 0.391 391 R N 4.601 125.080 120.500 -0.036 0.000 2.316 391 R HA 0.214 4.554 4.340 -0.000 0.000 0.314 391 R C 0.472 176.747 176.300 -0.043 0.000 1.069 391 R CA 0.032 56.107 56.100 -0.041 0.000 0.959 391 R CB -0.292 29.983 30.300 -0.041 0.000 0.987 391 R HN 0.838 nan 8.270 nan 0.000 0.446 392 L N 0.941 122.135 121.223 -0.048 0.000 2.121 392 L HA 0.061 4.401 4.340 -0.000 0.000 0.200 392 L C 0.978 177.818 176.870 -0.050 0.000 1.077 392 L CA 0.594 55.405 54.840 -0.049 0.000 0.766 392 L CB -0.176 41.851 42.059 -0.053 0.000 0.931 392 L HN 0.629 nan 8.230 nan 0.000 0.452 393 S N 0.707 116.374 115.700 -0.055 0.000 2.562 393 S HA 0.234 4.704 4.470 -0.000 0.000 0.281 393 S C -1.977 172.594 174.600 -0.050 0.000 1.333 393 S CA -0.931 57.236 58.200 -0.055 0.000 1.052 393 S CB 0.383 63.544 63.200 -0.064 0.000 0.884 393 S HN 0.112 nan 8.310 nan 0.000 0.506 394 P HA 0.395 nan 4.420 nan 0.000 0.281 394 P C -0.310 176.966 177.300 -0.040 0.000 1.281 394 P CA -0.809 62.268 63.100 -0.039 0.000 0.811 394 P CB 0.503 32.183 31.700 -0.033 0.000 1.154 402 H N -1.064 118.095 119.070 0.149 0.000 3.513 402 H HA 0.776 5.332 4.556 -0.000 0.000 0.278 402 H C -0.445 174.930 175.328 0.079 0.000 1.683 402 H CA -0.979 55.115 56.048 0.076 0.000 1.552 402 H CB 0.161 29.950 29.762 0.044 0.000 1.474 402 H HN 0.212 nan 8.280 nan 0.000 0.870 403 V N 0.465 120.439 119.914 0.099 0.000 2.837 403 V HA 0.119 4.239 4.120 -0.000 0.000 0.310 403 V C 0.604 176.687 176.094 -0.018 0.000 1.059 403 V CA -0.773 61.546 62.300 0.031 0.000 1.004 403 V CB 1.861 33.731 31.823 0.078 0.000 1.045 403 V HN 0.887 nan 8.190 nan 0.000 0.465 404 C N 6.213 125.501 119.300 -0.019 0.000 2.435 404 C HA 0.479 4.939 4.460 -0.000 0.000 0.375 404 C C -0.402 174.612 174.990 0.040 0.000 1.281 404 C CA -1.086 57.922 59.018 -0.018 0.000 1.963 404 C CB 0.603 28.328 27.740 -0.024 0.000 2.490 404 C HN 0.855 nan 8.230 nan 0.000 0.557 405 P HA -0.010 nan 4.420 nan 0.000 0.220 405 P C 1.555 178.932 177.300 0.128 0.000 1.154 405 P CA 0.791 63.943 63.100 0.086 0.000 0.830 405 P CB 0.052 31.795 31.700 0.071 0.000 0.803 406 R N 1.209 121.774 120.500 0.109 0.000 2.132 406 R HA -0.145 4.195 4.340 -0.000 0.000 0.233 406 R C 0.950 177.338 176.300 0.147 0.000 1.125 406 R CA 2.248 58.446 56.100 0.162 0.000 0.914 406 R CB -1.251 29.095 30.300 0.077 0.000 0.845 406 R HN 0.417 nan 8.270 nan 0.000 0.431 407 C N -2.637 116.687 119.300 0.040 0.000 2.848 407 C HA 0.740 5.200 4.460 -0.000 0.000 0.317 407 C C -0.300 174.689 174.990 -0.001 0.000 1.260 407 C CA -0.980 58.022 59.018 -0.027 0.000 1.656 407 C CB 1.947 29.651 27.740 -0.061 0.000 2.174 407 C HN 0.377 nan 8.230 nan 0.000 0.479 408 S N 0.758 116.448 115.700 -0.016 0.000 3.681 408 S HA 0.539 5.009 4.470 -0.000 0.000 0.203 408 S C 1.082 175.678 174.600 -0.007 0.000 1.408 408 S CA 0.543 58.744 58.200 0.001 0.000 0.942 408 S CB -0.255 62.946 63.200 0.002 0.000 1.437 408 S HN 2.246 nan 8.310 nan 0.000 0.482 409 G N 2.006 110.804 108.800 -0.004 0.000 2.143 409 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.248 409 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.248 409 G C 0.875 175.767 174.900 -0.014 0.000 0.991 409 G CA 0.724 45.820 45.100 -0.007 0.000 0.689 409 G HN 0.741 nan 8.290 nan 0.000 0.522 410 T N -3.090 111.451 114.554 -0.021 0.000 3.010 410 T HA 0.390 4.739 4.350 -0.000 0.000 0.252 410 T C 2.563 177.249 174.700 -0.024 0.000 1.047 410 T CA 1.601 63.686 62.100 -0.026 0.000 1.140 410 T CB -0.048 68.798 68.868 -0.037 0.000 0.885 410 T HN 2.117 nan 8.240 nan 0.000 0.464 411 G N 2.014 110.801 108.800 -0.021 0.000 2.168 411 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.257 411 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.257 411 G C 0.211 175.098 174.900 -0.023 0.000 0.997 411 G CA 0.711 45.800 45.100 -0.018 0.000 0.708 411 G HN 1.279 nan 8.290 nan 0.000 0.520 412 T N -3.412 111.124 114.554 -0.029 0.000 2.916 412 T HA 0.676 5.026 4.350 -0.000 0.000 0.305 412 T C -0.826 173.849 174.700 -0.042 0.000 1.119 412 T CA -0.636 61.444 62.100 -0.033 0.000 1.008 412 T CB 3.023 71.871 68.868 -0.034 0.000 1.129 412 T HN 0.793 nan 8.240 nan 0.000 0.480 413 V N 2.128 122.017 119.914 -0.041 0.000 2.407 413 V HA 0.487 4.607 4.120 -0.000 0.000 0.291 413 V C 0.561 176.624 176.094 -0.053 0.000 1.018 413 V CA -1.006 61.264 62.300 -0.050 0.000 0.842 413 V CB 1.452 33.250 31.823 -0.042 0.000 0.996 413 V HN 0.911 nan 8.190 nan 0.000 0.426 414 R N 2.554 123.017 120.500 -0.061 0.000 2.619 414 R HA 0.221 4.561 4.340 -0.000 0.000 0.268 414 R C 0.497 176.756 176.300 -0.068 0.000 0.990 414 R CA 1.151 57.213 56.100 -0.063 0.000 1.092 414 R CB 0.204 30.464 30.300 -0.067 0.000 0.935 414 R HN 0.943 nan 8.270 nan 0.000 0.415 415 D N 1.758 122.114 120.400 -0.073 0.000 2.362 415 D HA 0.019 4.659 4.640 -0.000 0.000 0.242 415 D C 0.730 176.954 176.300 -0.127 0.000 1.132 415 D CA 0.006 53.953 54.000 -0.089 0.000 0.907 415 D CB 0.323 41.072 40.800 -0.086 0.000 1.195 415 D HN 0.806 nan 8.370 nan 0.000 0.429 416 N N -0.235 118.373 118.700 -0.153 0.000 2.061 416 N HA -0.204 4.536 4.740 -0.000 0.000 0.193 416 N C 1.711 177.005 175.510 -0.360 0.000 1.030 416 N CA 1.923 54.845 53.050 -0.213 0.000 0.856 416 N CB 0.039 38.399 38.487 -0.212 0.000 1.023 416 N HN 0.667 nan 8.380 nan 0.000 0.424 417 E N 0.389 120.307 120.200 -0.470 0.000 2.028 417 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 417 E C 2.011 178.463 176.600 -0.247 0.000 0.988 417 E CA 0.892 56.920 56.400 -0.620 0.000 0.799 417 E CB -0.338 29.103 29.700 -0.431 0.000 0.755 417 E HN 0.132 nan 8.360 nan 0.000 0.447 418 S N 0.079 115.688 115.700 -0.151 0.000 2.383 418 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 418 S C 1.868 176.426 174.600 -0.069 0.000 1.030 418 S CA 0.952 59.105 58.200 -0.079 0.000 1.002 418 S CB -0.206 62.955 63.200 -0.065 0.000 0.829 418 S HN 0.222 nan 8.310 nan 0.000 0.467 419 L N 1.344 122.512 121.223 -0.093 0.000 2.093 419 L HA 0.072 4.412 4.340 -0.000 0.000 0.208 419 L C 2.372 179.216 176.870 -0.044 0.000 1.085 419 L CA 1.924 56.723 54.840 -0.069 0.000 0.755 419 L CB -0.981 41.032 42.059 -0.078 0.000 0.904 419 L HN 0.233 nan 8.230 nan 0.000 0.435 420 S N -0.394 115.270 115.700 -0.060 0.000 2.348 420 S HA -0.120 4.350 4.470 -0.000 0.000 0.221 420 S C 1.897 176.544 174.600 0.078 0.000 1.033 420 S CA 1.665 59.886 58.200 0.035 0.000 1.010 420 S CB -0.445 62.821 63.200 0.111 0.000 0.891 420 S HN 0.452 nan 8.310 nan 0.000 0.442 421 L N 0.981 122.249 121.223 0.074 0.000 2.131 421 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 421 L C 2.668 179.559 176.870 0.036 0.000 1.092 421 L CA 0.940 55.823 54.840 0.072 0.000 0.759 421 L CB -0.559 41.541 42.059 0.070 0.000 0.903 421 L HN 0.320 nan 8.230 nan 0.000 0.435 422 S N 0.435 116.144 115.700 0.014 0.000 2.356 422 S HA -0.144 4.326 4.470 -0.000 0.000 0.223 422 S C 1.967 176.571 174.600 0.007 0.000 1.032 422 S CA 1.214 59.416 58.200 0.003 0.000 1.005 422 S CB -0.158 63.034 63.200 -0.014 0.000 0.867 422 S HN 0.307 nan 8.310 nan 0.000 0.449 423 I N 1.067 121.644 120.570 0.012 0.000 2.315 423 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 423 I C 2.327 178.461 176.117 0.028 0.000 1.117 423 I CA 0.726 62.036 61.300 0.018 0.000 1.404 423 I CB -0.357 37.656 38.000 0.022 0.000 1.071 423 I HN 0.322 nan 8.210 nan 0.000 0.419 424 L N 1.572 122.818 121.223 0.039 0.000 2.012 424 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 424 L C 2.971 179.857 176.870 0.027 0.000 1.073 424 L CA 2.591 57.455 54.840 0.040 0.000 0.748 424 L CB -0.957 41.135 42.059 0.053 0.000 0.891 424 L HN 0.191 nan 8.230 nan 0.000 0.431 425 R N -0.428 120.086 120.500 0.023 0.000 2.081 425 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 425 R C 2.124 178.431 176.300 0.012 0.000 1.131 425 R CA 1.859 57.969 56.100 0.015 0.000 0.960 425 R CB -1.923 28.384 30.300 0.012 0.000 0.856 425 R HN 0.514 nan 8.270 nan 0.000 0.436 426 L N 0.478 121.708 121.223 0.011 0.000 2.083 426 L HA 0.035 4.375 4.340 -0.000 0.000 0.209 426 L C 2.362 179.238 176.870 0.011 0.000 1.083 426 L CA 1.578 56.423 54.840 0.008 0.000 0.752 426 L CB -0.223 41.839 42.059 0.005 0.000 0.899 426 L HN 0.455 nan 8.230 nan 0.000 0.433 427 I N -0.493 120.087 120.570 0.017 0.000 2.226 427 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 427 I C 2.501 178.626 176.117 0.014 0.000 1.100 427 I CA 1.629 62.940 61.300 0.019 0.000 1.374 427 I CB -0.387 37.630 38.000 0.029 0.000 1.057 427 I HN 0.392 nan 8.210 nan 0.000 0.413 428 E N 1.404 121.612 120.200 0.013 0.000 2.051 428 E HA -0.266 4.084 4.350 -0.000 0.000 0.192 428 E C 2.040 178.643 176.600 0.005 0.000 0.991 428 E CA 1.505 57.910 56.400 0.010 0.000 0.799 428 E CB -0.030 29.675 29.700 0.010 0.000 0.748 428 E HN 0.436 nan 8.360 nan 0.000 0.449 429 E N -0.062 120.141 120.200 0.005 0.000 2.130 429 E HA -0.213 4.136 4.350 -0.000 0.000 0.196 429 E C 2.061 178.661 176.600 -0.000 0.000 0.998 429 E CA 1.188 57.590 56.400 0.002 0.000 0.806 429 E CB 0.016 29.717 29.700 0.001 0.000 0.738 429 E HN 0.329 nan 8.360 nan 0.000 0.459 430 E N 0.056 120.256 120.200 -0.001 0.000 2.158 430 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 430 E C 1.943 178.539 176.600 -0.008 0.000 0.982 430 E CA 0.753 57.150 56.400 -0.006 0.000 0.823 430 E CB -0.061 29.635 29.700 -0.007 0.000 0.766 430 E HN 0.211 nan 8.360 nan 0.000 0.468 431 A N 0.665 123.484 122.820 -0.003 0.000 2.066 431 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 431 A C 2.074 179.656 177.584 -0.003 0.000 1.157 431 A CA 0.687 52.722 52.037 -0.003 0.000 0.670 431 A CB -0.199 18.803 19.000 0.003 0.000 0.804 431 A HN 0.095 nan 8.150 nan 0.000 0.453 432 L N -0.210 121.012 121.223 -0.002 0.000 2.179 432 L HA 0.063 4.403 4.340 -0.000 0.000 0.208 432 L C 0.957 177.825 176.870 -0.004 0.000 1.096 432 L CA 0.962 55.801 54.840 -0.002 0.000 0.779 432 L CB -0.393 41.666 42.059 -0.001 0.000 0.922 432 L HN 0.196 nan 8.230 nan 0.000 0.443 433 K N 1.856 122.253 120.400 -0.006 0.000 2.530 433 K HA 0.100 4.420 4.320 -0.000 0.000 0.280 433 K C 0.535 177.130 176.600 -0.008 0.000 1.004 433 K CA 0.394 56.677 56.287 -0.007 0.000 1.071 433 K CB 0.003 32.497 32.500 -0.009 0.000 0.876 433 K HN 0.283 nan 8.250 nan 0.000 0.487 434 E N 2.378 122.575 120.200 -0.006 0.000 2.392 434 E HA -0.051 4.299 4.350 -0.000 0.000 0.264 434 E C 0.466 177.061 176.600 -0.008 0.000 1.024 434 E CA 0.129 56.525 56.400 -0.006 0.000 0.903 434 E CB 0.098 29.795 29.700 -0.005 0.000 0.963 434 E HN 0.771 nan 8.360 nan 0.000 0.432 435 N N -0.450 118.245 118.700 -0.009 0.000 2.925 435 N HA -0.146 4.594 4.740 -0.000 0.000 0.244 435 N C -0.372 175.130 175.510 -0.015 0.000 1.000 435 N CA 1.344 54.388 53.050 -0.010 0.000 0.895 435 N CB -1.551 36.930 38.487 -0.010 0.000 1.119 435 N HN 0.619 nan 8.380 nan 0.000 0.569 436 T N 0.490 115.034 114.554 -0.016 0.000 2.749 436 T HA 0.203 4.553 4.350 -0.000 0.000 0.295 436 T C 1.158 175.844 174.700 -0.023 0.000 0.936 436 T CA -0.198 61.888 62.100 -0.023 0.000 1.060 436 T CB 1.785 70.639 68.868 -0.022 0.000 0.904 436 T HN 0.196 nan 8.240 nan 0.000 0.500 437 Q N 2.714 122.496 119.800 -0.030 0.000 2.107 437 Q HA 0.182 4.522 4.340 -0.000 0.000 0.195 437 Q C 0.309 176.290 176.000 -0.031 0.000 0.964 437 Q CA 1.256 57.044 55.803 -0.026 0.000 0.833 437 Q CB 0.529 29.252 28.738 -0.026 0.000 0.910 437 Q HN 0.766 nan 8.270 nan 0.000 0.465 438 E N -1.394 118.768 120.200 -0.064 0.000 2.433 438 E HA 0.563 4.913 4.350 -0.000 0.000 0.273 438 E C -1.980 174.538 176.600 -0.136 0.000 0.950 438 E CA -0.821 55.530 56.400 -0.081 0.000 0.796 438 E CB 2.843 32.491 29.700 -0.088 0.000 1.330 438 E HN -0.042 nan 8.360 nan 0.000 0.455 439 V N 1.455 121.314 119.914 -0.091 0.000 2.686 439 V HA 0.364 4.484 4.120 -0.000 0.000 0.306 439 V C -1.823 174.310 176.094 0.064 0.000 1.065 439 V CA -0.376 61.882 62.300 -0.069 0.000 0.894 439 V CB 1.539 33.355 31.823 -0.012 0.000 1.004 439 V HN 0.706 nan 8.190 nan 0.000 0.424 440 H N 5.514 124.577 119.070 -0.013 0.000 2.595 440 H HA 0.694 5.250 4.556 -0.000 0.000 0.313 440 H C 0.131 175.447 175.328 -0.019 0.000 1.023 440 H CA -0.289 55.752 56.048 -0.013 0.000 1.218 440 H CB 1.807 31.553 29.762 -0.026 0.000 1.403 440 H HN 0.891 nan 8.280 nan 0.000 0.477 441 A N 5.592 128.489 122.820 0.128 0.000 2.294 441 A HA 0.328 4.648 4.320 -0.000 0.000 0.316 441 A C -0.010 177.618 177.584 0.074 0.000 1.359 441 A CA -0.552 51.535 52.037 0.083 0.000 0.956 441 A CB -0.298 18.743 19.000 0.068 0.000 1.155 441 A HN 0.711 nan 8.150 nan 0.000 0.544 442 I N 4.526 125.149 120.570 0.087 0.000 2.306 442 I HA 0.384 4.554 4.170 -0.000 0.000 0.288 442 I C -0.175 176.001 176.117 0.099 0.000 1.036 442 I CA -0.551 60.806 61.300 0.095 0.000 1.221 442 I CB 0.946 39.017 38.000 0.120 0.000 1.385 442 I HN 0.470 nan 8.210 nan 0.000 0.472 443 V N 4.192 124.151 119.914 0.076 0.000 3.040 443 V HA 0.690 4.809 4.120 -0.000 0.000 0.312 443 V C -2.822 173.308 176.094 0.060 0.000 1.115 443 V CA -2.816 59.522 62.300 0.063 0.000 0.998 443 V CB 1.697 33.553 31.823 0.054 0.000 1.042 443 V HN 0.328 nan 8.190 nan 0.000 0.433 444 P HA 0.193 nan 4.420 nan 0.000 0.268 444 P C 1.196 178.522 177.300 0.043 0.000 1.208 444 P CA 0.044 63.173 63.100 0.047 0.000 0.777 444 P CB 0.723 32.448 31.700 0.042 0.000 0.875 445 V N 4.236 124.173 119.914 0.039 0.000 2.250 445 V HA -0.235 3.885 4.120 -0.000 0.000 0.253 445 V C -0.682 175.438 176.094 0.045 0.000 1.065 445 V CA 2.677 65.000 62.300 0.038 0.000 1.039 445 V CB -2.434 29.407 31.823 0.029 0.000 0.647 445 V HN 0.692 nan 8.190 nan 0.000 0.446 446 P HA -0.053 nan 4.420 nan 0.000 0.221 446 P C 1.757 179.102 177.300 0.075 0.000 1.150 446 P CA 1.283 64.413 63.100 0.050 0.000 0.800 446 P CB -0.053 31.661 31.700 0.024 0.000 0.787 447 I N -0.409 120.194 120.570 0.057 0.000 2.202 447 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 447 I C 2.345 178.532 176.117 0.116 0.000 1.091 447 I CA 1.503 62.848 61.300 0.074 0.000 1.368 447 I CB -0.841 37.184 38.000 0.041 0.000 1.058 447 I HN -0.081 nan 8.210 nan 0.000 0.410 448 A N -0.279 122.592 122.820 0.084 0.000 1.933 448 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 448 A C 2.488 180.119 177.584 0.078 0.000 1.175 448 A CA 2.135 54.217 52.037 0.076 0.000 0.628 448 A CB -0.781 18.255 19.000 0.059 0.000 0.814 448 A HN 0.389 nan 8.150 nan 0.000 0.444 449 S N -1.968 113.783 115.700 0.084 0.000 2.356 449 S HA -0.210 4.260 4.470 -0.000 0.000 0.223 449 S C 1.896 176.554 174.600 0.097 0.000 1.032 449 S CA 1.728 59.974 58.200 0.077 0.000 1.005 449 S CB -0.534 62.711 63.200 0.075 0.000 0.867 449 S HN 0.643 nan 8.310 nan 0.000 0.449 450 Y N 1.792 122.098 120.300 0.009 0.000 2.145 450 Y HA -0.021 4.529 4.550 -0.000 0.000 0.286 450 Y C 2.007 177.913 175.900 0.009 0.000 1.145 450 Y CA 1.779 59.884 58.100 0.008 0.000 1.148 450 Y CB -0.378 38.085 38.460 0.006 0.000 0.981 450 Y HN 0.239 nan 8.280 nan 0.000 0.507 451 L N -0.515 120.788 121.223 0.133 0.000 2.046 451 L HA -0.223 4.116 4.340 -0.000 0.000 0.208 451 L C 1.877 178.737 176.870 -0.016 0.000 1.077 451 L CA 1.200 56.072 54.840 0.053 0.000 0.747 451 L CB -0.478 41.635 42.059 0.089 0.000 0.896 451 L HN 0.254 nan 8.230 nan 0.000 0.432 452 L N -0.660 120.562 121.223 -0.003 0.000 2.611 452 L HA 0.091 4.431 4.340 -0.000 0.000 0.229 452 L C 1.313 178.163 176.870 -0.033 0.000 1.137 452 L CA -0.082 54.752 54.840 -0.009 0.000 0.901 452 L CB -0.201 41.865 42.059 0.013 0.000 1.098 452 L HN 0.332 nan 8.230 nan 0.000 0.456 453 N N -0.817 117.840 118.700 -0.072 0.000 2.802 453 N HA -0.003 4.737 4.740 -0.000 0.000 0.254 453 N C 1.347 176.764 175.510 -0.154 0.000 1.012 453 N CA 0.232 53.229 53.050 -0.087 0.000 0.986 453 N CB 0.329 38.779 38.487 -0.061 0.000 1.711 453 N HN 0.019 nan 8.380 nan 0.000 0.581 454 E N 1.219 121.244 120.200 -0.292 0.000 2.150 454 E HA 0.003 4.353 4.350 -0.000 0.000 0.193 454 E C 0.809 177.207 176.600 -0.336 0.000 0.985 454 E CA 1.040 57.185 56.400 -0.424 0.000 0.814 454 E CB 0.227 29.355 29.700 -0.952 0.000 0.752 454 E HN -0.005 nan 8.360 nan 0.000 0.466 455 K N -0.321 119.909 120.400 -0.283 0.000 2.478 455 K HA 0.266 4.586 4.320 -0.000 0.000 0.205 455 K C 1.195 177.750 176.600 -0.076 0.000 1.033 455 K CA -0.139 56.059 56.287 -0.148 0.000 1.091 455 K CB 0.472 32.914 32.500 -0.096 0.000 0.844 455 K HN 0.124 nan 8.250 nan 0.000 0.507 456 R N 0.983 121.438 120.500 -0.075 0.000 2.083 456 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 456 R C 1.985 178.268 176.300 -0.028 0.000 1.137 456 R CA 2.306 58.382 56.100 -0.040 0.000 0.951 456 R CB -0.349 29.928 30.300 -0.038 0.000 0.851 456 R HN 0.270 nan 8.270 nan 0.000 0.434 457 S N 0.196 115.876 115.700 -0.034 0.000 2.374 457 S HA -0.211 4.259 4.470 -0.000 0.000 0.227 457 S C 1.916 176.507 174.600 -0.015 0.000 1.037 457 S CA 1.417 59.604 58.200 -0.023 0.000 1.024 457 S CB -0.246 62.939 63.200 -0.025 0.000 0.861 457 S HN 0.593 nan 8.310 nan 0.000 0.456 458 A N 0.892 123.702 122.820 -0.017 0.000 1.897 458 A HA 0.007 4.327 4.320 -0.000 0.000 0.215 458 A C 2.340 179.924 177.584 -0.000 0.000 1.181 458 A CA 1.331 53.364 52.037 -0.007 0.000 0.620 458 A CB -0.811 18.187 19.000 -0.004 0.000 0.821 458 A HN 0.342 nan 8.150 nan 0.000 0.443 459 V N 1.187 121.101 119.914 -0.001 0.000 2.295 459 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 459 V C 2.347 178.445 176.094 0.007 0.000 1.049 459 V CA 2.128 64.432 62.300 0.007 0.000 1.024 459 V CB -1.054 30.774 31.823 0.009 0.000 0.648 459 V HN 0.536 nan 8.190 nan 0.000 0.447 460 N N 0.733 119.434 118.700 0.001 0.000 2.043 460 N HA -0.178 4.562 4.740 -0.000 0.000 0.193 460 N C 1.967 177.478 175.510 0.003 0.000 1.037 460 N CA 1.920 54.972 53.050 0.002 0.000 0.851 460 N CB -0.649 37.836 38.487 -0.002 0.000 1.027 460 N HN 0.490 nan 8.380 nan 0.000 0.422 461 A N 1.201 124.021 122.820 0.001 0.000 1.948 461 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 461 A C 2.380 179.966 177.584 0.004 0.000 1.177 461 A CA 1.154 53.192 52.037 0.001 0.000 0.636 461 A CB -0.745 18.255 19.000 0.000 0.000 0.815 461 A HN 0.269 nan 8.150 nan 0.000 0.449 462 I N -0.458 120.115 120.570 0.006 0.000 2.142 462 I HA -0.211 3.958 4.170 -0.000 0.000 0.240 462 I C 3.072 179.193 176.117 0.008 0.000 1.078 462 I CA 1.674 62.979 61.300 0.008 0.000 1.343 462 I CB -0.640 37.367 38.000 0.011 0.000 1.046 462 I HN 0.514 nan 8.210 nan 0.000 0.405 463 E N -0.118 120.087 120.200 0.009 0.000 2.153 463 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 463 E C 2.233 178.837 176.600 0.007 0.000 0.988 463 E CA 1.853 58.259 56.400 0.010 0.000 0.811 463 E CB -1.233 28.474 29.700 0.013 0.000 0.746 463 E HN 0.487 nan 8.360 nan 0.000 0.466 464 T N -1.192 113.365 114.554 0.005 0.000 2.942 464 T HA -0.046 4.304 4.350 -0.000 0.000 0.265 464 T C 2.200 176.901 174.700 0.003 0.000 1.062 464 T CA 1.131 63.233 62.100 0.004 0.000 1.139 464 T CB -0.167 68.702 68.868 0.003 0.000 0.883 464 T HN 0.416 nan 8.240 nan 0.000 0.468 465 R N 0.205 120.707 120.500 0.003 0.000 2.075 465 R HA 0.100 4.440 4.340 -0.000 0.000 0.226 465 R C 0.504 176.805 176.300 0.002 0.000 1.114 465 R CA 0.730 56.831 56.100 0.002 0.000 0.972 465 R CB 0.082 30.384 30.300 0.003 0.000 0.869 465 R HN 0.334 nan 8.270 nan 0.000 0.437 466 Q N 1.215 121.017 119.800 0.003 0.000 2.835 466 Q HA 0.152 4.492 4.340 -0.000 0.000 0.235 466 Q C -0.941 175.061 176.000 0.003 0.000 1.313 466 Q CA -0.017 55.787 55.803 0.002 0.000 1.053 466 Q CB -0.062 28.677 28.738 0.002 0.000 1.443 466 Q HN 0.305 nan 8.270 nan 0.000 0.576 467 D N 0.011 120.413 120.400 0.002 0.000 2.472 467 D HA 0.380 5.020 4.640 -0.000 0.000 0.248 467 D C 1.266 177.567 176.300 0.002 0.000 1.174 467 D CA 0.492 54.493 54.000 0.002 0.000 0.883 467 D CB 0.105 40.906 40.800 0.002 0.000 1.149 467 D HN 0.586 nan 8.370 nan 0.000 0.488 468 G N -0.495 108.307 108.800 0.003 0.000 2.176 468 G HA2 0.234 4.194 3.960 -0.000 0.000 0.232 468 G HA3 0.234 4.194 3.960 -0.000 0.000 0.232 468 G C 0.601 175.503 174.900 0.004 0.000 0.986 468 G CA 0.276 45.378 45.100 0.003 0.000 0.643 468 G HN 2.025 nan 8.290 nan 0.000 0.522 469 V N 0.261 120.178 119.914 0.005 0.000 2.364 469 V HA 0.916 5.036 4.120 -0.000 0.000 0.272 469 V C 0.586 176.688 176.094 0.014 0.000 1.036 469 V CA 0.294 62.597 62.300 0.005 0.000 0.880 469 V CB 0.558 32.382 31.823 0.002 0.000 0.991 469 V HN 1.298 nan 8.190 nan 0.000 0.460 470 R N 3.165 123.678 120.500 0.021 0.000 2.254 470 R HA 0.568 4.908 4.340 -0.000 0.000 0.318 470 R C -0.367 175.967 176.300 0.056 0.000 1.031 470 R CA 0.024 56.147 56.100 0.039 0.000 0.905 470 R CB 0.700 31.030 30.300 0.050 0.000 1.050 470 R HN 1.084 nan 8.270 nan 0.000 0.456 471 C N 3.154 122.488 119.300 0.057 0.000 2.239 471 C HA 0.505 4.965 4.460 -0.000 0.000 0.325 471 C C 0.191 175.235 174.990 0.090 0.000 1.231 471 C CA -1.093 57.968 59.018 0.071 0.000 1.652 471 C CB 0.113 27.881 27.740 0.047 0.000 2.284 471 C HN 0.670 nan 8.230 nan 0.000 0.499 472 V N 5.985 125.989 119.914 0.151 0.000 2.318 472 V HA 0.320 4.440 4.120 -0.000 0.000 0.271 472 V C 0.096 176.230 176.094 0.066 0.000 1.030 472 V CA 0.023 62.382 62.300 0.098 0.000 0.844 472 V CB 0.494 32.349 31.823 0.052 0.000 1.015 472 V HN 0.725 nan 8.190 nan 0.000 0.460 473 I N 5.651 126.248 120.570 0.044 0.000 2.307 473 I HA 0.339 4.509 4.170 -0.000 0.000 0.287 473 I C -0.172 175.965 176.117 0.033 0.000 1.054 473 I CA -0.386 60.940 61.300 0.044 0.000 1.218 473 I CB 1.602 39.631 38.000 0.048 0.000 1.398 473 I HN 0.402 nan 8.210 nan 0.000 0.475 474 V N 9.492 129.422 119.914 0.027 0.000 2.370 474 V HA 0.535 4.655 4.120 -0.000 0.000 0.279 474 V C -2.106 174.018 176.094 0.050 0.000 1.029 474 V CA -2.111 60.209 62.300 0.033 0.000 0.870 474 V CB 1.709 33.538 31.823 0.010 0.000 0.984 474 V HN 0.451 nan 8.190 nan 0.000 0.451 475 P HA 0.200 nan 4.420 nan 0.000 0.271 475 P C -1.135 176.198 177.300 0.055 0.000 1.216 475 P CA -0.038 63.094 63.100 0.053 0.000 0.776 475 P CB 0.609 32.337 31.700 0.046 0.000 0.881 476 N N 2.325 121.057 118.700 0.052 0.000 2.581 476 N HA 0.068 4.808 4.740 -0.000 0.000 0.279 476 N C 0.038 175.573 175.510 0.042 0.000 1.124 476 N CA -0.483 52.599 53.050 0.052 0.000 0.833 476 N CB 0.537 39.063 38.487 0.065 0.000 1.338 476 N HN 0.198 nan 8.380 nan 0.000 0.533 477 D N 1.609 122.028 120.400 0.031 0.000 2.378 477 D HA -0.069 4.571 4.640 -0.000 0.000 0.227 477 D C 0.807 177.118 176.300 0.018 0.000 1.012 477 D CA 0.755 54.768 54.000 0.022 0.000 0.905 477 D CB 0.396 41.204 40.800 0.013 0.000 0.895 477 D HN 0.355 nan 8.370 nan 0.000 0.532 478 Q N -0.299 119.514 119.800 0.022 0.000 2.212 478 Q HA 0.171 4.511 4.340 -0.000 0.000 0.199 478 Q C 1.026 177.030 176.000 0.007 0.000 0.950 478 Q CA 0.680 56.491 55.803 0.013 0.000 0.863 478 Q CB 0.057 28.805 28.738 0.016 0.000 0.944 478 Q HN 0.494 nan 8.270 nan 0.000 0.465 479 M N -0.905 118.709 119.600 0.024 0.000 2.679 479 M HA 0.540 5.020 4.480 -0.000 0.000 0.287 479 M C 0.442 176.769 176.300 0.045 0.000 1.202 479 M CA -0.358 54.958 55.300 0.027 0.000 0.911 479 M CB 0.910 33.546 32.600 0.059 0.000 1.556 479 M HN -0.097 nan 8.290 nan 0.000 0.511 480 E N -0.220 120.024 120.200 0.074 0.000 2.476 480 E HA 0.371 4.721 4.350 -0.000 0.000 0.246 480 E C 0.530 177.167 176.600 0.062 0.000 0.872 480 E CA 0.014 56.452 56.400 0.064 0.000 0.867 480 E CB 0.130 29.866 29.700 0.060 0.000 1.533 480 E HN 0.727 nan 8.360 nan 0.000 0.399 481 T N 0.534 115.107 114.554 0.032 0.000 2.624 481 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 481 T C -0.703 173.989 174.700 -0.012 0.000 1.041 481 T CA 2.934 65.036 62.100 0.003 0.000 1.159 481 T CB -0.795 68.060 68.868 -0.021 0.000 0.863 481 T HN 0.471 nan 8.240 nan 0.000 0.434 482 P HA -0.080 nan 4.420 nan 0.000 0.210 482 P C 0.463 177.683 177.300 -0.134 0.000 1.191 482 P CA 1.180 64.211 63.100 -0.116 0.000 0.917 482 P CB -0.475 31.110 31.700 -0.191 0.000 0.778 483 H N -0.489 118.550 119.070 -0.050 0.000 2.929 483 H HA 0.253 4.809 4.556 -0.000 0.000 0.358 483 H C 0.329 175.598 175.328 -0.097 0.000 1.111 483 H CA 1.332 57.330 56.048 -0.083 0.000 1.409 483 H CB -0.240 29.485 29.762 -0.061 0.000 1.373 483 H HN 0.305 nan 8.280 nan 0.000 0.610 484 Y N -0.959 119.296 120.300 -0.074 0.000 2.779 484 Y HA 0.439 4.989 4.550 -0.000 0.000 0.340 484 Y C -1.353 174.348 175.900 -0.332 0.000 1.252 484 Y CA -1.149 56.893 58.100 -0.098 0.000 1.072 484 Y CB 1.296 39.730 38.460 -0.043 0.000 1.343 484 Y HN 0.863 nan 8.280 nan 0.000 0.450 485 H N -0.391 118.695 119.070 0.026 0.000 2.856 485 H HA 0.670 5.226 4.556 -0.000 0.000 0.355 485 H C -1.450 173.871 175.328 -0.011 0.000 1.079 485 H CA -0.806 55.243 56.048 0.001 0.000 1.240 485 H CB 2.302 32.054 29.762 -0.016 0.000 1.701 485 H HN 0.655 nan 8.280 nan 0.000 0.527 486 V N 5.194 125.165 119.914 0.095 0.000 2.304 486 V HA 0.245 4.365 4.120 -0.000 0.000 0.278 486 V C -0.452 175.652 176.094 0.017 0.000 1.018 486 V CA -0.477 61.852 62.300 0.048 0.000 0.814 486 V CB 0.578 32.418 31.823 0.028 0.000 1.021 486 V HN 0.536 nan 8.190 nan 0.000 0.440 487 L N 4.813 126.018 121.223 -0.029 0.000 2.295 487 L HA 0.608 4.948 4.340 -0.000 0.000 0.285 487 L C 0.430 177.239 176.870 -0.101 0.000 1.035 487 L CA -0.453 54.330 54.840 -0.095 0.000 0.806 487 L CB 1.592 43.493 42.059 -0.263 0.000 1.214 487 L HN 0.545 nan 8.230 nan 0.000 0.426 488 R N 2.237 122.690 120.500 -0.079 0.000 2.410 488 R HA 0.569 4.909 4.340 -0.000 0.000 0.288 488 R C -1.298 174.938 176.300 -0.107 0.000 1.051 488 R CA -0.474 55.576 56.100 -0.083 0.000 1.021 488 R CB 1.292 31.564 30.300 -0.046 0.000 1.032 488 R HN 0.423 nan 8.270 nan 0.000 0.481 489 V N 5.432 125.264 119.914 -0.137 0.000 2.407 489 V HA 0.381 4.501 4.120 -0.000 0.000 0.291 489 V C 0.088 176.137 176.094 -0.074 0.000 1.018 489 V CA -0.826 61.400 62.300 -0.122 0.000 0.842 489 V CB 1.390 33.085 31.823 -0.213 0.000 0.996 489 V HN 0.849 nan 8.190 nan 0.000 0.426 490 R N 2.196 122.669 120.500 -0.045 0.000 2.726 490 R HA 0.537 4.876 4.340 -0.000 0.000 0.272 490 R C 0.524 176.809 176.300 -0.026 0.000 1.097 490 R CA -0.346 55.736 56.100 -0.030 0.000 1.198 490 R CB 0.280 30.568 30.300 -0.020 0.000 1.114 490 R HN 0.708 nan 8.270 nan 0.000 0.550 491 K N 0.920 121.309 120.400 -0.019 0.000 2.412 491 K HA 0.272 4.592 4.320 -0.000 0.000 0.284 491 K C 1.038 177.631 176.600 -0.011 0.000 1.046 491 K CA 0.353 56.632 56.287 -0.014 0.000 0.999 491 K CB -0.438 32.056 32.500 -0.010 0.000 0.941 491 K HN 0.843 nan 8.250 nan 0.000 0.474 492 G N 1.147 109.941 108.800 -0.010 0.000 2.213 492 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.226 492 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.226 492 G C 0.573 175.469 174.900 -0.008 0.000 0.992 492 G CA 0.626 45.721 45.100 -0.008 0.000 0.632 492 G HN 1.128 nan 8.290 nan 0.000 0.511 493 E N 0.825 121.019 120.200 -0.010 0.000 2.499 493 E HA 0.306 4.656 4.350 -0.000 0.000 0.199 493 E C 0.614 177.211 176.600 -0.006 0.000 1.016 493 E CA -0.060 56.335 56.400 -0.008 0.000 0.933 493 E CB 0.142 29.838 29.700 -0.007 0.000 1.050 493 E HN 0.587 nan 8.360 nan 0.000 0.462 494 E N 1.757 121.953 120.200 -0.006 0.000 2.349 494 E HA 0.181 4.531 4.350 -0.000 0.000 0.262 494 E C -0.092 176.512 176.600 0.008 0.000 1.088 494 E CA -0.288 56.115 56.400 0.005 0.000 0.899 494 E CB 1.222 30.925 29.700 0.005 0.000 1.044 494 E HN 0.103 nan 8.360 nan 0.000 0.420 495 T N -2.236 112.328 114.554 0.017 0.000 2.926 495 T HA 0.493 4.843 4.350 -0.000 0.000 0.289 495 T C -2.142 172.559 174.700 0.001 0.000 1.054 495 T CA -1.699 60.402 62.100 0.001 0.000 1.015 495 T CB 1.330 70.189 68.868 -0.014 0.000 1.167 495 T HN 0.410 nan 8.240 nan 0.000 0.526 496 P HA 0.245 nan 4.420 nan 0.000 0.226 496 P C -0.399 176.873 177.300 -0.046 0.000 1.758 496 P CA -0.290 62.797 63.100 -0.022 0.000 0.896 496 P CB -0.827 30.861 31.700 -0.021 0.000 1.784 497 T N 1.176 115.699 114.554 -0.053 0.000 2.897 497 T HA 0.267 4.617 4.350 -0.000 0.000 0.294 497 T C 0.664 175.270 174.700 -0.156 0.000 1.004 497 T CA -0.302 61.737 62.100 -0.101 0.000 1.106 497 T CB 0.840 69.648 68.868 -0.100 0.000 0.949 497 T HN 0.077 nan 8.240 nan 0.000 0.520 498 L N 2.853 123.923 121.223 -0.254 0.000 2.416 498 L HA 0.098 4.437 4.340 -0.000 0.000 0.272 498 L C 2.120 178.709 176.870 -0.468 0.000 1.161 498 L CA -0.421 54.161 54.840 -0.429 0.000 0.845 498 L CB 0.686 42.306 42.059 -0.731 0.000 1.119 498 L HN 0.911 nan 8.230 nan 0.000 0.464 499 S N 2.447 117.926 115.700 -0.367 0.000 2.374 499 S HA -0.289 4.181 4.470 -0.000 0.000 0.227 499 S C 1.571 176.070 174.600 -0.167 0.000 1.037 499 S CA 1.810 59.875 58.200 -0.226 0.000 1.024 499 S CB -0.667 62.475 63.200 -0.097 0.000 0.861 499 S HN 0.737 nan 8.310 nan 0.000 0.456 500 Y N -0.659 119.618 120.300 -0.039 0.000 2.546 500 Y HA 0.506 5.056 4.550 -0.000 0.000 0.287 500 Y C 1.818 177.702 175.900 -0.027 0.000 1.158 500 Y CA -0.252 57.832 58.100 -0.027 0.000 1.307 500 Y CB -0.365 38.085 38.460 -0.016 0.000 1.036 500 Y HN 0.128 nan 8.280 nan 0.000 0.532 501 M N 0.302 119.796 119.600 -0.178 0.000 2.428 501 M HA 0.218 4.697 4.480 -0.000 0.000 0.239 501 M C 1.280 177.526 176.300 -0.090 0.000 1.121 501 M CA 0.169 55.425 55.300 -0.073 0.000 1.019 501 M CB -0.439 32.078 32.600 -0.139 0.000 1.485 501 M HN 0.484 nan 8.290 nan 0.000 0.484 502 L N 0.315 121.476 121.223 -0.103 0.000 2.072 502 L HA -0.084 4.256 4.340 -0.000 0.000 0.205 502 L C -0.447 176.437 176.870 0.024 0.000 1.079 502 L CA 1.188 55.974 54.840 -0.090 0.000 0.752 502 L CB -1.775 40.197 42.059 -0.146 0.000 0.906 502 L HN 0.155 nan 8.230 nan 0.000 0.436 503 P HA -0.214 nan 4.420 nan 0.000 0.216 503 P C 1.694 179.021 177.300 0.046 0.000 1.150 503 P CA 1.209 64.358 63.100 0.082 0.000 0.837 503 P CB 0.011 31.751 31.700 0.066 0.000 0.786 504 K N -0.525 119.883 120.400 0.013 0.000 2.148 504 K HA -0.077 4.243 4.320 -0.000 0.000 0.204 504 K C 2.040 178.613 176.600 -0.045 0.000 1.050 504 K CA 0.810 57.093 56.287 -0.007 0.000 0.942 504 K CB -1.429 31.069 32.500 -0.002 0.000 0.724 504 K HN 0.034 nan 8.250 nan 0.000 0.446 505 L N 0.603 121.764 121.223 -0.103 0.000 2.056 505 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 505 L C 2.317 179.045 176.870 -0.236 0.000 1.078 505 L CA 2.035 56.753 54.840 -0.205 0.000 0.749 505 L CB -0.507 41.360 42.059 -0.320 0.000 0.901 505 L HN 0.470 nan 8.230 nan 0.000 0.433 506 H N -1.608 117.446 119.070 -0.026 0.000 2.535 506 H HA -0.032 4.524 4.556 -0.000 0.000 0.273 506 H C 2.081 177.365 175.328 -0.073 0.000 0.983 506 H CA 0.906 56.927 56.048 -0.046 0.000 1.238 506 H CB -0.042 29.686 29.762 -0.057 0.000 1.412 506 H HN 0.399 nan 8.280 nan 0.000 0.562 507 E N 1.454 121.671 120.200 0.029 0.000 2.136 507 E HA -0.238 4.112 4.350 -0.000 0.000 0.208 507 E C 1.234 177.829 176.600 -0.008 0.000 1.035 507 E CA 1.439 57.837 56.400 -0.004 0.000 0.838 507 E CB -0.390 29.307 29.700 -0.004 0.000 0.748 507 E HN 0.844 nan 8.360 nan 0.000 0.459 508 E N 0.000 120.196 120.200 -0.007 0.000 2.725 508 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 508 E CA 0.000 56.397 56.400 -0.006 0.000 0.976 508 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 508 E HN 0.000 nan 8.360 nan 0.000 0.440