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 3hm7_1_C DATA FIRST_RESID 3 DATA SEQUENCE RFDLIIRSST VVTETTTYRA DVAIRNGIVS AITEPGSISS DDGPAIDGTG DATA SEQUENCE LHLFPGMVDV HVHFNEPGRT EWEGFASGSK SLAAGGVTTY FDMPLNSNPP DATA SEQUENCE TITREELDKK RQLANEKSLV DYRFWGGLVP GNIDHLQDLH DGGVIGFKAF DATA SEQUENCE MSECGTDDFQ FSHDETLLKG MKKIAALGSI LAVHAESNEM VNALTTIAIE DATA SEQUENCE EQRLTVKDYS EARPIVSELE AVERILRFAQ LTCCPIHICH VSSRKVLKRI DATA SEQUENCE KQAKGEGVNV SVETCPHYLL FSLDEFAEIG YLAKCAPPLR ERQEVEDLWD DATA SEQUENCE GLMAGEIDLI SSDHSPSLPQ MKTGKTIFEV WGGIAGCQNT LAVMLTEGYH DATA SEQUENCE KRKMPLTQIV QLLSTEPAKR FGLYPQKGTI QVGAEASFTL IDLNESYTLN DATA SEQUENCE ASDLYYRHPI SPYVGQRFRG KVKHTICQGK HVYQD 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.058 176.300 -0.404 0.000 0.893 3 R CA 0.000 55.893 56.100 -0.345 0.000 0.921 3 R CB 0.000 29.988 30.300 -0.520 0.000 0.687 4 F N 1.362 121.313 119.950 0.003 0.000 2.538 4 F HA 0.355 4.882 4.527 -0.000 0.000 0.325 4 F C 0.791 176.594 175.800 0.007 0.000 1.066 4 F CA -0.943 57.062 58.000 0.007 0.000 0.946 4 F CB 1.660 40.667 39.000 0.012 0.000 1.199 4 F HN -0.073 nan 8.300 nan 0.000 0.473 5 D N 0.577 121.120 120.400 0.238 0.000 2.183 5 D HA 0.100 4.739 4.640 -0.000 0.000 0.203 5 D C -0.113 176.249 176.300 0.103 0.000 0.969 5 D CA 1.509 55.582 54.000 0.122 0.000 0.842 5 D CB 0.267 41.119 40.800 0.086 0.000 0.957 5 D HN 0.191 nan 8.370 nan 0.000 0.484 6 L N -0.953 120.339 121.223 0.115 0.000 2.671 6 L HA 0.499 4.839 4.340 -0.000 0.000 0.259 6 L C -2.034 174.875 176.870 0.066 0.000 1.021 6 L CA -0.855 54.036 54.840 0.085 0.000 0.871 6 L CB 2.365 44.470 42.059 0.076 0.000 1.472 6 L HN -0.133 nan 8.230 nan 0.000 0.410 7 I N 2.026 122.626 120.570 0.051 0.000 2.644 7 I HA 0.520 4.690 4.170 -0.000 0.000 0.291 7 I C -1.523 174.600 176.117 0.010 0.000 1.180 7 I CA -0.588 60.718 61.300 0.012 0.000 1.040 7 I CB 1.624 39.637 38.000 0.022 0.000 1.255 7 I HN 0.344 nan 8.210 nan 0.000 0.422 8 I N 7.319 127.881 120.570 -0.014 0.000 2.297 8 I HA 0.417 4.587 4.170 -0.000 0.000 0.291 8 I C 0.216 176.292 176.117 -0.068 0.000 1.033 8 I CA -0.303 60.977 61.300 -0.034 0.000 1.253 8 I CB 0.679 38.642 38.000 -0.062 0.000 1.396 8 I HN 0.552 nan 8.210 nan 0.000 0.476 9 R N 3.664 124.135 120.500 -0.048 0.000 2.428 9 R HA 0.361 4.701 4.340 -0.000 0.000 0.294 9 R C 0.649 176.916 176.300 -0.055 0.000 1.000 9 R CA -0.405 55.667 56.100 -0.047 0.000 0.960 9 R CB 1.325 31.609 30.300 -0.026 0.000 1.076 9 R HN 0.682 nan 8.270 nan 0.000 0.475 10 S N 0.000 115.663 115.700 -0.062 0.000 3.358 10 S HA -0.183 4.287 4.470 -0.000 0.000 0.309 10 S C 0.184 174.726 174.600 -0.097 0.000 1.247 10 S CA 1.365 59.525 58.200 -0.066 0.000 0.961 10 S CB -1.116 62.060 63.200 -0.039 0.000 1.074 10 S HN 0.851 nan 8.310 nan 0.000 0.625 11 S N 0.369 115.990 115.700 -0.131 0.000 2.525 11 S HA 0.605 5.075 4.470 -0.000 0.000 0.290 11 S C 0.003 174.440 174.600 -0.273 0.000 1.152 11 S CA -0.528 57.567 58.200 -0.175 0.000 1.072 11 S CB 1.572 64.693 63.200 -0.132 0.000 1.027 11 S HN 0.192 nan 8.310 nan 0.000 0.500 12 T N 3.383 117.710 114.554 -0.380 0.000 2.775 12 T HA 0.195 4.545 4.350 -0.000 0.000 0.281 12 T C 0.090 174.521 174.700 -0.449 0.000 0.908 12 T CA -0.362 61.461 62.100 -0.461 0.000 1.123 12 T CB -0.326 68.114 68.868 -0.713 0.000 0.879 12 T HN 0.569 nan 8.240 nan 0.000 0.547 13 V N 5.981 125.562 119.914 -0.554 0.000 2.421 13 V HA 0.169 4.289 4.120 -0.000 0.000 0.271 13 V C 0.683 176.424 176.094 -0.588 0.000 1.031 13 V CA -0.411 61.504 62.300 -0.641 0.000 1.032 13 V CB -0.100 31.186 31.823 -0.895 0.000 1.009 13 V HN 0.743 nan 8.190 nan 0.000 0.477 14 V N 3.314 122.953 119.914 -0.458 0.000 2.630 14 V HA 0.997 5.117 4.120 -0.000 0.000 0.305 14 V C 0.074 175.997 176.094 -0.285 0.000 1.046 14 V CA 0.038 62.098 62.300 -0.400 0.000 0.934 14 V CB 1.848 33.303 31.823 -0.612 0.000 1.003 14 V HN 0.873 nan 8.190 nan 0.000 0.451 15 T N 0.717 115.183 114.554 -0.148 0.000 2.626 15 T HA 0.459 4.809 4.350 -0.000 0.000 0.279 15 T C 0.840 175.540 174.700 -0.001 0.000 0.983 15 T CA 0.072 62.148 62.100 -0.040 0.000 1.059 15 T CB 1.314 70.198 68.868 0.028 0.000 1.396 15 T HN 0.864 nan 8.240 nan 0.000 0.519 16 E N 0.406 120.636 120.200 0.050 0.000 2.204 16 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 16 E C 1.634 178.260 176.600 0.043 0.000 0.990 16 E CA 1.822 58.258 56.400 0.059 0.000 0.821 16 E CB -0.523 29.229 29.700 0.086 0.000 0.750 16 E HN 0.766 nan 8.360 nan 0.000 0.477 17 T N -3.418 111.161 114.554 0.043 0.000 3.019 17 T HA 0.110 4.460 4.350 -0.000 0.000 0.247 17 T C 0.833 175.552 174.700 0.032 0.000 0.992 17 T CA 0.489 62.611 62.100 0.036 0.000 1.036 17 T CB 0.782 69.674 68.868 0.040 0.000 1.063 17 T HN 0.078 nan 8.240 nan 0.000 0.476 18 T N 2.051 116.632 114.554 0.044 0.000 2.896 18 T HA 0.618 4.968 4.350 -0.000 0.000 0.297 18 T C -1.498 173.242 174.700 0.066 0.000 1.108 18 T CA -0.271 61.869 62.100 0.067 0.000 1.004 18 T CB 1.949 70.873 68.868 0.094 0.000 1.159 18 T HN 0.545 nan 8.240 nan 0.000 0.499 19 T N 1.622 116.217 114.554 0.069 0.000 2.824 19 T HA 0.778 5.128 4.350 -0.000 0.000 0.282 19 T C -1.222 173.542 174.700 0.107 0.000 0.993 19 T CA -0.694 61.405 62.100 -0.003 0.000 0.967 19 T CB 0.907 69.752 68.868 -0.039 0.000 0.960 19 T HN 0.778 nan 8.240 nan 0.000 0.441 20 Y N 0.043 120.278 120.300 -0.107 0.000 2.480 20 Y HA 0.638 5.188 4.550 -0.000 0.000 0.329 20 Y C -0.681 175.145 175.900 -0.123 0.000 1.127 20 Y CA -1.530 56.512 58.100 -0.098 0.000 1.037 20 Y CB 1.260 39.672 38.460 -0.080 0.000 1.320 20 Y HN 0.515 nan 8.280 nan 0.000 0.446 21 R N 2.759 123.245 120.500 -0.025 0.000 2.404 21 R HA 0.675 5.015 4.340 -0.000 0.000 0.315 21 R C -0.502 175.789 176.300 -0.016 0.000 1.032 21 R CA 0.496 56.543 56.100 -0.089 0.000 0.992 21 R CB 0.383 30.651 30.300 -0.053 0.000 0.959 21 R HN 0.968 nan 8.270 nan 0.000 0.428 22 A N 2.749 125.501 122.820 -0.113 0.000 2.557 22 A HA 0.450 4.770 4.320 -0.000 0.000 0.292 22 A C -1.566 175.950 177.584 -0.114 0.000 1.139 22 A CA -0.852 51.157 52.037 -0.047 0.000 0.665 22 A CB 1.522 20.583 19.000 0.102 0.000 1.285 22 A HN 0.455 nan 8.150 nan 0.000 0.433 23 D N 0.318 120.671 120.400 -0.079 0.000 2.308 23 D HA 0.538 5.178 4.640 -0.000 0.000 0.242 23 D C -0.835 175.388 176.300 -0.129 0.000 1.059 23 D CA 0.092 54.031 54.000 -0.102 0.000 0.830 23 D CB 1.816 42.579 40.800 -0.061 0.000 1.161 23 D HN 0.291 nan 8.370 nan 0.000 0.494 24 V N 1.634 121.438 119.914 -0.182 0.000 2.394 24 V HA 0.703 4.823 4.120 -0.000 0.000 0.282 24 V C 0.177 176.164 176.094 -0.177 0.000 1.031 24 V CA -0.935 61.244 62.300 -0.202 0.000 0.881 24 V CB 1.334 32.954 31.823 -0.338 0.000 0.982 24 V HN 0.671 nan 8.190 nan 0.000 0.451 25 A N 6.428 129.086 122.820 -0.271 0.000 2.271 25 A HA 0.832 5.152 4.320 -0.000 0.000 0.317 25 A C -0.576 176.754 177.584 -0.423 0.000 1.245 25 A CA -0.424 51.311 52.037 -0.503 0.000 0.857 25 A CB 0.234 18.582 19.000 -1.085 0.000 1.175 25 A HN 0.785 nan 8.150 nan 0.000 0.512 26 I N 2.596 123.034 120.570 -0.219 0.000 2.359 26 I HA 0.472 4.642 4.170 -0.000 0.000 0.294 26 I C 0.594 176.718 176.117 0.012 0.000 0.987 26 I CA -0.255 61.016 61.300 -0.049 0.000 1.225 26 I CB 1.232 39.261 38.000 0.047 0.000 1.366 26 I HN 0.619 nan 8.210 nan 0.000 0.466 27 R N 5.946 126.470 120.500 0.039 0.000 2.507 27 R HA 0.297 4.637 4.340 -0.000 0.000 0.298 27 R C -0.981 175.355 176.300 0.059 0.000 1.087 27 R CA -0.642 55.527 56.100 0.116 0.000 0.917 27 R CB 0.677 31.100 30.300 0.206 0.000 1.173 27 R HN 0.847 nan 8.270 nan 0.000 0.472 28 N N 2.907 121.635 118.700 0.047 0.000 2.641 28 N HA -0.255 4.485 4.740 -0.000 0.000 0.267 28 N C 0.760 176.268 175.510 -0.004 0.000 1.087 28 N CA 1.077 54.139 53.050 0.019 0.000 0.731 28 N CB -0.654 37.847 38.487 0.023 0.000 0.886 28 N HN 1.094 nan 8.380 nan 0.000 0.547 29 G N -0.593 108.195 108.800 -0.021 0.000 2.550 29 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.233 29 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.233 29 G C 0.372 175.240 174.900 -0.054 0.000 1.170 29 G CA 0.639 45.711 45.100 -0.047 0.000 0.693 29 G HN 0.887 nan 8.290 nan 0.000 0.512 30 I N -0.866 119.686 120.570 -0.030 0.000 3.076 30 I HA 0.828 4.998 4.170 -0.000 0.000 0.313 30 I C 0.402 176.516 176.117 -0.006 0.000 1.053 30 I CA -1.549 59.736 61.300 -0.025 0.000 1.048 30 I CB 1.861 39.848 38.000 -0.021 0.000 1.264 30 I HN 0.004 nan 8.210 nan 0.000 0.498 31 V N 2.826 122.743 119.914 0.005 0.000 2.461 31 V HA 0.149 4.269 4.120 -0.000 0.000 0.275 31 V C 0.962 177.046 176.094 -0.017 0.000 1.047 31 V CA 0.176 62.482 62.300 0.011 0.000 0.955 31 V CB 0.736 32.586 31.823 0.046 0.000 0.988 31 V HN 0.958 nan 8.190 nan 0.000 0.471 32 S N 3.124 118.787 115.700 -0.061 0.000 2.412 32 S HA 0.503 4.973 4.470 -0.000 0.000 0.223 32 S C 0.537 175.101 174.600 -0.060 0.000 1.048 32 S CA 0.684 58.857 58.200 -0.046 0.000 0.954 32 S CB 0.233 63.396 63.200 -0.063 0.000 0.840 32 S HN 1.138 nan 8.310 nan 0.000 0.503 33 A N 0.285 123.016 122.820 -0.149 0.000 2.577 33 A HA 0.637 4.957 4.320 -0.000 0.000 0.297 33 A C -1.546 175.963 177.584 -0.125 0.000 1.060 33 A CA -0.725 51.250 52.037 -0.103 0.000 0.697 33 A CB 0.741 19.704 19.000 -0.060 0.000 1.281 33 A HN 0.350 nan 8.150 nan 0.000 0.402 34 I N 2.080 122.613 120.570 -0.062 0.000 2.377 34 I HA 0.633 4.803 4.170 -0.000 0.000 0.293 34 I C 0.578 176.683 176.117 -0.020 0.000 0.987 34 I CA -0.377 60.898 61.300 -0.042 0.000 1.185 34 I CB 2.155 40.164 38.000 0.015 0.000 1.341 34 I HN 0.837 nan 8.210 nan 0.000 0.455 35 T N 0.922 115.465 114.554 -0.019 0.000 2.831 35 T HA 0.471 4.821 4.350 -0.000 0.000 0.287 35 T C -0.418 174.287 174.700 0.008 0.000 1.070 35 T CA -1.098 61.001 62.100 -0.001 0.000 1.010 35 T CB 1.399 70.270 68.868 0.006 0.000 1.264 35 T HN 0.577 nan 8.240 nan 0.000 0.532 36 E N 0.759 120.965 120.200 0.009 0.000 2.409 36 E HA 0.276 4.626 4.350 -0.000 0.000 0.257 36 E C -2.559 174.042 176.600 0.002 0.000 1.150 36 E CA -1.951 54.455 56.400 0.011 0.000 0.942 36 E CB -0.714 28.990 29.700 0.006 0.000 0.979 36 E HN 0.327 nan 8.360 nan 0.000 0.447 37 P HA -0.010 nan 4.420 nan 0.000 0.257 37 P C 0.399 177.694 177.300 -0.007 0.000 1.189 37 P CA 1.253 64.344 63.100 -0.014 0.000 0.780 37 P CB 0.007 31.697 31.700 -0.017 0.000 0.772 38 G N 3.030 111.826 108.800 -0.007 0.000 2.176 38 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.252 38 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.252 38 G C 1.258 176.167 174.900 0.014 0.000 1.024 38 G CA 0.421 45.523 45.100 0.004 0.000 0.755 38 G HN 0.527 nan 8.290 nan 0.000 0.507 39 S N -1.395 114.315 115.700 0.017 0.000 2.406 39 S HA 0.226 4.696 4.470 -0.000 0.000 0.228 39 S C 1.298 175.924 174.600 0.044 0.000 1.020 39 S CA 0.823 59.038 58.200 0.025 0.000 0.965 39 S CB -0.079 63.135 63.200 0.022 0.000 0.798 39 S HN 0.474 nan 8.310 nan 0.000 0.488 40 I N 1.954 122.563 120.570 0.064 0.000 2.519 40 I HA 0.238 4.407 4.170 -0.000 0.000 0.287 40 I C 0.611 176.774 176.117 0.078 0.000 1.047 40 I CA 0.058 61.422 61.300 0.107 0.000 1.381 40 I CB 1.261 39.390 38.000 0.215 0.000 1.417 40 I HN 0.069 nan 8.210 nan 0.000 0.540 41 S N 3.428 119.165 115.700 0.062 0.000 2.561 41 S HA -0.094 4.376 4.470 -0.000 0.000 0.294 41 S C 1.543 176.166 174.600 0.037 0.000 1.294 41 S CA 0.602 58.822 58.200 0.034 0.000 1.055 41 S CB 0.351 63.558 63.200 0.013 0.000 0.819 41 S HN 0.756 nan 8.310 nan 0.000 0.503 42 S N 2.550 118.264 115.700 0.023 0.000 2.419 42 S HA -0.084 4.386 4.470 -0.000 0.000 0.233 42 S C 0.662 175.272 174.600 0.017 0.000 1.016 42 S CA 1.480 59.692 58.200 0.020 0.000 0.974 42 S CB -0.328 62.878 63.200 0.011 0.000 0.786 42 S HN 0.811 nan 8.310 nan 0.000 0.492 43 D N 1.084 121.490 120.400 0.011 0.000 2.587 43 D HA 0.232 4.872 4.640 -0.000 0.000 0.233 43 D C -1.077 175.224 176.300 0.001 0.000 1.213 43 D CA -0.024 53.979 54.000 0.004 0.000 0.827 43 D CB 0.383 41.181 40.800 -0.004 0.000 1.006 43 D HN 0.154 nan 8.370 nan 0.000 0.490 44 D N 0.636 121.047 120.400 0.018 0.000 2.460 44 D HA 0.501 5.141 4.640 -0.000 0.000 0.268 44 D C 0.564 176.907 176.300 0.072 0.000 1.153 44 D CA 0.046 54.052 54.000 0.010 0.000 0.929 44 D CB 0.653 41.446 40.800 -0.011 0.000 1.015 44 D HN 0.186 nan 8.370 nan 0.000 0.502 45 G N 2.254 111.084 108.800 0.050 0.000 2.663 45 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.686 45 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.686 45 G C -2.823 172.111 174.900 0.056 0.000 1.246 45 G CA -1.366 43.782 45.100 0.079 0.000 0.795 45 G HN 0.211 nan 8.290 nan 0.000 0.627 46 P HA 0.556 nan 4.420 nan 0.000 0.276 46 P C -0.042 177.266 177.300 0.013 0.000 1.235 46 P CA 0.503 63.610 63.100 0.013 0.000 0.772 46 P CB 1.354 33.053 31.700 -0.002 0.000 0.871 47 A N 3.844 126.660 122.820 -0.006 0.000 2.340 47 A HA 0.703 5.023 4.320 -0.000 0.000 0.331 47 A C -0.704 176.854 177.584 -0.042 0.000 1.140 47 A CA -0.586 51.446 52.037 -0.009 0.000 0.801 47 A CB 0.679 19.678 19.000 -0.003 0.000 1.234 47 A HN 0.401 nan 8.150 nan 0.000 0.469 48 I N 2.271 122.817 120.570 -0.041 0.000 2.382 48 I HA 0.205 4.375 4.170 -0.000 0.000 0.286 48 I C -0.588 175.489 176.117 -0.068 0.000 1.002 48 I CA -0.461 60.784 61.300 -0.091 0.000 1.135 48 I CB 1.220 39.162 38.000 -0.097 0.000 1.288 48 I HN 0.746 nan 8.210 nan 0.000 0.448 49 D N 4.868 125.233 120.400 -0.059 0.000 2.339 49 D HA 0.338 4.978 4.640 -0.000 0.000 0.256 49 D C 0.922 177.228 176.300 0.010 0.000 1.214 49 D CA 0.129 54.118 54.000 -0.018 0.000 0.877 49 D CB 1.141 41.941 40.800 0.001 0.000 1.111 49 D HN 0.736 nan 8.370 nan 0.000 0.478 50 G N 2.784 111.587 108.800 0.005 0.000 4.044 50 G HA2 0.084 4.044 3.960 -0.000 0.000 0.297 50 G HA3 0.084 4.044 3.960 -0.000 0.000 0.297 50 G C 0.190 175.099 174.900 0.015 0.000 1.101 50 G CA -0.443 44.673 45.100 0.028 0.000 0.884 50 G HN 0.463 nan 8.290 nan 0.000 0.538 51 T N 0.715 115.280 114.554 0.019 0.000 2.853 51 T HA 0.409 4.759 4.350 -0.000 0.000 0.298 51 T C 1.586 176.306 174.700 0.035 0.000 0.978 51 T CA 1.252 63.359 62.100 0.012 0.000 1.152 51 T CB 1.077 69.954 68.868 0.014 0.000 0.914 51 T HN 0.998 nan 8.240 nan 0.000 0.539 52 G N 2.709 111.524 108.800 0.026 0.000 2.205 52 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.261 52 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.261 52 G C 0.092 175.064 174.900 0.120 0.000 0.980 52 G CA -0.054 45.087 45.100 0.067 0.000 0.632 52 G HN 0.651 nan 8.290 nan 0.000 0.533 53 L N -0.246 121.030 121.223 0.088 0.000 2.358 53 L HA 0.790 5.130 4.340 -0.000 0.000 0.268 53 L C 0.303 177.224 176.870 0.085 0.000 1.032 53 L CA -1.279 53.657 54.840 0.161 0.000 0.805 53 L CB 1.241 43.384 42.059 0.140 0.000 1.253 53 L HN 0.110 nan 8.230 nan 0.000 0.452 54 H N 0.704 119.817 119.070 0.072 0.000 2.495 54 H HA 0.453 5.009 4.556 -0.000 0.000 0.348 54 H C -1.019 174.336 175.328 0.045 0.000 1.113 54 H CA -0.505 55.546 56.048 0.005 0.000 1.195 54 H CB 2.012 31.781 29.762 0.012 0.000 1.521 54 H HN 0.240 nan 8.280 nan 0.000 0.509 55 L N 4.358 125.552 121.223 -0.048 0.000 2.272 55 L HA 0.361 4.701 4.340 -0.000 0.000 0.284 55 L C -1.399 175.411 176.870 -0.100 0.000 1.045 55 L CA -0.055 54.758 54.840 -0.046 0.000 0.842 55 L CB -0.576 41.347 42.059 -0.228 0.000 1.224 55 L HN 0.454 nan 8.230 nan 0.000 0.430 56 F N 6.348 126.307 119.950 0.015 0.000 2.394 56 F HA 0.510 5.037 4.527 -0.000 0.000 0.340 56 F C -1.703 174.148 175.800 0.086 0.000 1.105 56 F CA -1.951 56.065 58.000 0.028 0.000 1.124 56 F CB 0.734 39.752 39.000 0.029 0.000 1.145 56 F HN 0.433 nan 8.300 nan 0.000 0.505 57 P HA 0.137 nan 4.420 nan 0.000 0.274 57 P C -0.192 177.231 177.300 0.205 0.000 1.231 57 P CA -0.443 62.803 63.100 0.244 0.000 0.790 57 P CB 0.586 32.387 31.700 0.169 0.000 0.951 58 G N 3.522 112.410 108.800 0.147 0.000 2.313 58 G HA2 0.218 4.178 3.960 -0.000 0.000 0.250 58 G HA3 0.218 4.178 3.960 -0.000 0.000 0.250 58 G C 0.299 175.238 174.900 0.065 0.000 1.281 58 G CA -0.460 44.691 45.100 0.085 0.000 0.917 58 G HN 0.307 nan 8.290 nan 0.000 0.501 59 M N 1.707 121.335 119.600 0.046 0.000 2.261 59 M HA -0.006 4.474 4.480 -0.000 0.000 0.350 59 M C 0.128 176.437 176.300 0.016 0.000 1.343 59 M CA 0.223 55.538 55.300 0.025 0.000 1.003 59 M CB 0.364 32.961 32.600 -0.005 0.000 1.848 59 M HN 0.084 nan 8.290 nan 0.000 0.456 60 V N 3.674 123.583 119.914 -0.009 0.000 2.294 60 V HA 0.161 4.281 4.120 -0.000 0.000 0.272 60 V C 0.138 176.148 176.094 -0.139 0.000 1.027 60 V CA -0.757 61.502 62.300 -0.069 0.000 0.823 60 V CB 1.121 32.890 31.823 -0.089 0.000 1.030 60 V HN 0.678 nan 8.190 nan 0.000 0.457 61 D N 3.869 124.220 120.400 -0.082 0.000 2.380 61 D HA 0.166 4.806 4.640 -0.000 0.000 0.230 61 D C 0.871 177.091 176.300 -0.135 0.000 1.154 61 D CA -0.074 53.902 54.000 -0.041 0.000 0.859 61 D CB 2.087 42.930 40.800 0.072 0.000 1.045 61 D HN 0.467 nan 8.370 nan 0.000 0.495 62 V N 2.056 121.859 119.914 -0.184 0.000 3.649 62 V HA 0.194 4.314 4.120 -0.000 0.000 0.275 62 V C 0.436 176.691 176.094 0.267 0.000 1.281 62 V CA 0.446 62.616 62.300 -0.217 0.000 1.143 62 V CB -0.609 31.044 31.823 -0.283 0.000 0.892 62 V HN 0.532 nan 8.190 nan 0.000 0.441 63 H N 0.754 119.894 119.070 0.117 0.000 2.569 63 H HA 0.652 5.208 4.556 -0.000 0.000 0.247 63 H C -0.900 174.438 175.328 0.016 0.000 1.346 63 H CA -0.362 55.727 56.048 0.068 0.000 1.502 63 H CB 1.290 31.111 29.762 0.098 0.000 1.512 63 H HN 0.402 nan 8.280 nan 0.000 0.502 64 V N 0.546 120.477 119.914 0.029 0.000 2.680 64 V HA 0.446 4.566 4.120 -0.000 0.000 0.309 64 V C -0.342 175.547 176.094 -0.342 0.000 1.052 64 V CA -0.796 61.391 62.300 -0.189 0.000 0.908 64 V CB 2.111 33.460 31.823 -0.791 0.000 1.001 64 V HN 0.647 nan 8.190 nan 0.000 0.431 65 H N 4.807 123.911 119.070 0.056 0.000 2.539 65 H HA 0.407 4.963 4.556 -0.000 0.000 0.247 65 H C -0.541 174.957 175.328 0.282 0.000 1.363 65 H CA -0.324 55.819 56.048 0.159 0.000 1.371 65 H CB 0.908 30.828 29.762 0.263 0.000 1.438 65 H HN 0.724 nan 8.280 nan 0.000 0.523 66 F N 1.108 121.197 119.950 0.233 0.000 2.743 66 F HA -0.026 4.501 4.527 -0.000 0.000 0.297 66 F C 1.117 176.885 175.800 -0.054 0.000 1.131 66 F CA -0.165 57.883 58.000 0.081 0.000 1.426 66 F CB -0.364 38.606 39.000 -0.049 0.000 1.116 66 F HN 0.474 nan 8.300 nan 0.000 0.583 67 N N -0.563 118.208 118.700 0.118 0.000 2.863 67 N HA -0.293 4.447 4.740 -0.000 0.000 0.245 67 N C 0.220 175.613 175.510 -0.194 0.000 1.001 67 N CA 0.815 53.825 53.050 -0.067 0.000 0.901 67 N CB -1.349 37.047 38.487 -0.152 0.000 1.124 67 N HN 0.472 nan 8.380 nan 0.000 0.582 68 E N 0.846 120.878 120.200 -0.279 0.000 2.283 68 E HA 0.190 4.540 4.350 -0.000 0.000 0.278 68 E C -1.745 174.760 176.600 -0.160 0.000 1.027 68 E CA -2.234 53.982 56.400 -0.307 0.000 0.843 68 E CB 1.218 30.578 29.700 -0.566 0.000 1.062 68 E HN -0.074 nan 8.360 nan 0.000 0.401 69 P HA -0.027 nan 4.420 nan 0.000 0.213 69 P C 1.106 178.345 177.300 -0.102 0.000 1.169 69 P CA 1.189 64.258 63.100 -0.052 0.000 0.885 69 P CB 0.071 31.754 31.700 -0.027 0.000 0.779 70 G N 0.009 108.734 108.800 -0.125 0.000 2.418 70 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 70 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 70 G C 1.003 175.762 174.900 -0.235 0.000 1.158 70 G CA 0.415 45.423 45.100 -0.154 0.000 0.771 70 G HN 0.249 nan 8.290 nan 0.000 0.545 71 R N 0.505 120.784 120.500 -0.370 0.000 2.983 71 R HA 0.277 4.617 4.340 -0.000 0.000 0.300 71 R C 0.885 176.911 176.300 -0.456 0.000 1.367 71 R CA -0.081 55.653 56.100 -0.610 0.000 1.564 71 R CB 0.547 30.070 30.300 -1.294 0.000 1.314 71 R HN 0.086 nan 8.270 nan 0.000 0.622 72 T N 0.919 115.352 114.554 -0.201 0.000 2.737 72 T HA -0.162 4.188 4.350 -0.000 0.000 0.265 72 T C 1.195 175.912 174.700 0.029 0.000 1.038 72 T CA 1.266 63.313 62.100 -0.090 0.000 1.144 72 T CB 0.044 68.876 68.868 -0.060 0.000 0.866 72 T HN 0.558 nan 8.240 nan 0.000 0.434 73 E N 0.084 120.347 120.200 0.105 0.000 2.352 73 E HA -0.069 4.281 4.350 -0.000 0.000 0.197 73 E C 0.466 177.356 176.600 0.484 0.000 1.224 73 E CA 0.013 56.538 56.400 0.208 0.000 1.118 73 E CB -0.246 29.565 29.700 0.184 0.000 1.198 73 E HN 0.585 nan 8.360 nan 0.000 0.454 74 W N 0.616 121.963 121.300 0.078 0.000 2.850 74 W HA 0.272 4.932 4.660 -0.000 0.000 0.260 74 W C 1.939 178.518 176.519 0.100 0.000 1.129 74 W CA 0.185 57.614 57.345 0.140 0.000 1.587 74 W CB 0.506 29.972 29.460 0.010 0.000 1.041 74 W HN 0.090 nan 8.180 nan 0.000 0.614 75 E N -2.174 118.189 120.200 0.273 0.000 3.875 75 E HA 0.340 4.690 4.350 -0.000 0.000 0.239 75 E C 0.574 177.156 176.600 -0.030 0.000 1.293 75 E CA 1.231 57.695 56.400 0.107 0.000 1.646 75 E CB 0.604 30.426 29.700 0.203 0.000 1.954 75 E HN -0.041 nan 8.360 nan 0.000 0.686 76 G N 0.977 109.727 108.800 -0.084 0.000 2.712 76 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.683 76 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.683 76 G C 0.084 174.817 174.900 -0.277 0.000 1.320 76 G CA -0.084 44.892 45.100 -0.207 0.000 0.847 76 G HN 0.100 nan 8.290 nan 0.000 0.553 77 F N 0.992 120.941 119.950 -0.001 0.000 2.325 77 F HA 0.234 4.761 4.527 -0.000 0.000 0.299 77 F C 2.913 178.659 175.800 -0.089 0.000 1.090 77 F CA 2.175 60.173 58.000 -0.003 0.000 1.392 77 F CB -0.677 38.390 39.000 0.112 0.000 1.053 77 F HN 0.745 nan 8.300 nan 0.000 0.521 78 A N 0.016 122.891 122.820 0.092 0.000 1.840 78 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 78 A C 2.358 179.908 177.584 -0.056 0.000 1.198 78 A CA 1.858 53.914 52.037 0.031 0.000 0.608 78 A CB -1.213 17.811 19.000 0.040 0.000 0.839 78 A HN 0.336 nan 8.150 nan 0.000 0.443 79 S N -0.627 115.022 115.700 -0.085 0.000 2.453 79 S HA 0.104 4.574 4.470 -0.000 0.000 0.231 79 S C 1.882 176.371 174.600 -0.184 0.000 1.005 79 S CA 1.120 59.269 58.200 -0.084 0.000 0.949 79 S CB -0.635 62.538 63.200 -0.044 0.000 0.774 79 S HN 0.638 nan 8.310 nan 0.000 0.510 80 G N 2.014 110.546 108.800 -0.447 0.000 2.395 80 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.214 80 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.214 80 G C 1.722 176.119 174.900 -0.839 0.000 1.177 80 G CA 0.842 45.337 45.100 -1.010 0.000 0.794 80 G HN 0.729 nan 8.290 nan 0.000 0.532 81 S N 0.178 115.539 115.700 -0.565 0.000 2.436 81 S HA 0.047 4.517 4.470 -0.000 0.000 0.228 81 S C 2.017 176.511 174.600 -0.177 0.000 1.014 81 S CA 1.438 59.467 58.200 -0.285 0.000 0.950 81 S CB -0.050 63.143 63.200 -0.012 0.000 0.784 81 S HN 0.348 nan 8.310 nan 0.000 0.504 82 K N 1.288 121.575 120.400 -0.188 0.000 2.217 82 K HA 0.124 4.444 4.320 -0.000 0.000 0.202 82 K C 2.016 178.418 176.600 -0.330 0.000 1.051 82 K CA 1.053 57.204 56.287 -0.228 0.000 0.952 82 K CB -0.192 32.201 32.500 -0.179 0.000 0.736 82 K HN 0.388 nan 8.250 nan 0.000 0.453 83 S N 0.826 116.397 115.700 -0.215 0.000 2.387 83 S HA -0.043 4.427 4.470 -0.000 0.000 0.226 83 S C 1.714 176.202 174.600 -0.187 0.000 1.026 83 S CA 0.826 58.931 58.200 -0.159 0.000 0.972 83 S CB -0.128 63.076 63.200 0.007 0.000 0.814 83 S HN 0.227 nan 8.310 nan 0.000 0.477 84 L N 1.226 122.354 121.223 -0.159 0.000 2.056 84 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 84 L C 2.835 179.601 176.870 -0.174 0.000 1.078 84 L CA 1.127 55.902 54.840 -0.108 0.000 0.749 84 L CB -0.710 41.334 42.059 -0.025 0.000 0.901 84 L HN 0.321 nan 8.230 nan 0.000 0.433 85 A N 0.155 122.842 122.820 -0.222 0.000 1.940 85 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 85 A C 2.454 179.661 177.584 -0.628 0.000 1.176 85 A CA 1.808 53.677 52.037 -0.279 0.000 0.631 85 A CB -0.714 18.169 19.000 -0.194 0.000 0.814 85 A HN 0.417 nan 8.150 nan 0.000 0.446 86 A N -1.006 121.254 122.820 -0.933 0.000 2.121 86 A HA 0.233 4.553 4.320 -0.000 0.000 0.218 86 A C 1.937 179.184 177.584 -0.561 0.000 1.154 86 A CA 1.500 52.771 52.037 -1.275 0.000 0.679 86 A CB -0.708 17.774 19.000 -0.864 0.000 0.795 86 A HN 0.838 nan 8.150 nan 0.000 0.458 87 G N -2.169 106.424 108.800 -0.346 0.000 3.502 87 G HA2 0.408 4.368 3.960 -0.000 0.000 0.267 87 G HA3 0.408 4.368 3.960 -0.000 0.000 0.267 87 G C 0.988 175.788 174.900 -0.165 0.000 1.090 87 G CA 0.375 45.351 45.100 -0.206 0.000 0.795 87 G HN 1.469 nan 8.290 nan 0.000 0.535 88 G N -0.775 107.925 108.800 -0.167 0.000 2.143 88 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.248 88 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.248 88 G C 0.151 175.017 174.900 -0.056 0.000 0.991 88 G CA 0.244 45.288 45.100 -0.093 0.000 0.689 88 G HN 0.766 nan 8.290 nan 0.000 0.522 89 V N 0.840 120.718 119.914 -0.060 0.000 2.439 89 V HA 0.657 4.777 4.120 -0.000 0.000 0.282 89 V C 1.342 177.447 176.094 0.018 0.000 1.039 89 V CA 0.558 62.855 62.300 -0.006 0.000 0.913 89 V CB 1.489 33.323 31.823 0.018 0.000 0.983 89 V HN 0.679 nan 8.190 nan 0.000 0.460 90 T N -0.692 113.884 114.554 0.037 0.000 2.959 90 T HA 0.184 4.534 4.350 -0.000 0.000 0.254 90 T C 0.525 175.258 174.700 0.055 0.000 1.003 90 T CA 0.064 62.180 62.100 0.028 0.000 0.950 90 T CB 0.424 69.281 68.868 -0.019 0.000 1.090 90 T HN 0.587 nan 8.240 nan 0.000 0.503 91 T N 2.111 116.718 114.554 0.089 0.000 2.916 91 T HA 0.634 4.984 4.350 -0.000 0.000 0.298 91 T C -1.686 173.139 174.700 0.207 0.000 1.031 91 T CA -0.830 61.321 62.100 0.085 0.000 0.993 91 T CB 1.762 70.649 68.868 0.032 0.000 1.045 91 T HN 0.466 nan 8.240 nan 0.000 0.454 92 Y N -0.095 120.290 120.300 0.141 0.000 2.581 92 Y HA 0.866 5.416 4.550 -0.000 0.000 0.345 92 Y C -2.038 174.074 175.900 0.353 0.000 1.036 92 Y CA -2.082 56.135 58.100 0.195 0.000 1.042 92 Y CB 1.218 39.794 38.460 0.194 0.000 1.289 92 Y HN 0.412 nan 8.280 nan 0.000 0.471 93 F N 2.123 122.112 119.950 0.064 0.000 2.434 93 F HA 0.284 4.811 4.527 -0.000 0.000 0.367 93 F C -0.338 175.592 175.800 0.218 0.000 1.093 93 F CA -1.431 56.553 58.000 -0.027 0.000 1.085 93 F CB 0.778 39.789 39.000 0.018 0.000 1.322 93 F HN 0.608 nan 8.300 nan 0.000 0.452 94 D N 3.359 123.984 120.400 0.376 0.000 2.383 94 D HA 0.125 4.765 4.640 -0.000 0.000 0.252 94 D C 0.280 176.860 176.300 0.466 0.000 1.166 94 D CA 0.033 54.283 54.000 0.418 0.000 0.879 94 D CB 0.797 42.029 40.800 0.721 0.000 1.164 94 D HN 0.184 nan 8.370 nan 0.000 0.462 95 M N 5.100 124.779 119.600 0.132 0.000 2.226 95 M HA 0.134 4.614 4.480 -0.000 0.000 0.324 95 M C -1.377 175.000 176.300 0.128 0.000 1.112 95 M CA -1.624 53.659 55.300 -0.027 0.000 1.176 95 M CB 0.636 32.955 32.600 -0.469 0.000 1.430 95 M HN 0.346 nan 8.290 nan 0.000 0.462 96 P HA 0.028 nan 4.420 nan 0.000 0.224 96 P C 0.310 177.652 177.300 0.070 0.000 1.157 96 P CA 0.732 63.933 63.100 0.168 0.000 0.799 96 P CB -0.138 31.742 31.700 0.301 0.000 0.809 97 L N -2.692 118.443 121.223 -0.146 0.000 2.475 97 L HA 0.281 4.621 4.340 -0.000 0.000 0.253 97 L C 0.933 177.787 176.870 -0.026 0.000 1.198 97 L CA -0.241 54.430 54.840 -0.281 0.000 0.814 97 L CB -0.803 40.696 42.059 -0.933 0.000 1.134 97 L HN -0.093 nan 8.230 nan 0.000 0.478 98 N N -1.755 116.920 118.700 -0.041 0.000 1.904 98 N HA -0.270 4.470 4.740 -0.000 0.000 0.217 98 N C -0.018 175.361 175.510 -0.219 0.000 1.020 98 N CA 1.545 54.537 53.050 -0.098 0.000 3.606 98 N CB -1.018 37.454 38.487 -0.025 0.000 0.733 98 N HN 1.018 nan 8.380 nan 0.000 0.351 99 S N 1.109 116.732 115.700 -0.128 0.000 2.537 99 S HA 0.267 4.737 4.470 -0.000 0.000 0.286 99 S C -0.204 174.341 174.600 -0.090 0.000 1.299 99 S CA -0.275 57.845 58.200 -0.135 0.000 1.067 99 S CB 1.327 64.489 63.200 -0.063 0.000 0.864 99 S HN 0.351 nan 8.310 nan 0.000 0.494 100 N N 3.074 121.705 118.700 -0.115 0.000 2.407 100 N HA 0.570 5.310 4.740 -0.000 0.000 0.277 100 N C -2.852 172.626 175.510 -0.053 0.000 0.995 100 N CA -1.792 51.214 53.050 -0.073 0.000 0.903 100 N CB 1.227 39.656 38.487 -0.097 0.000 1.218 100 N HN 0.398 nan 8.380 nan 0.000 0.487 101 P HA 0.313 nan 4.420 nan 0.000 0.274 101 P C -2.554 174.755 177.300 0.016 0.000 1.231 101 P CA -0.969 62.128 63.100 -0.006 0.000 0.790 101 P CB 0.175 31.868 31.700 -0.012 0.000 0.951 102 P HA 0.033 nan 4.420 nan 0.000 0.271 102 P C -0.293 177.068 177.300 0.102 0.000 1.244 102 P CA 0.063 63.242 63.100 0.131 0.000 0.793 102 P CB -0.125 31.760 31.700 0.308 0.000 0.984 103 T N 1.697 116.331 114.554 0.133 0.000 3.859 103 T HA 0.087 4.437 4.350 -0.000 0.000 0.251 103 T C 1.079 175.863 174.700 0.140 0.000 1.079 103 T CA 0.201 62.361 62.100 0.101 0.000 1.151 103 T CB -0.892 68.041 68.868 0.108 0.000 1.173 103 T HN 0.171 nan 8.240 nan 0.000 0.885 104 I N 0.836 121.449 120.570 0.072 0.000 3.132 104 I HA 0.104 4.274 4.170 -0.000 0.000 0.255 104 I C 1.700 177.794 176.117 -0.037 0.000 1.118 104 I CA 0.637 61.968 61.300 0.052 0.000 1.463 104 I CB -0.872 37.130 38.000 0.003 0.000 1.356 104 I HN 0.418 nan 8.210 nan 0.000 0.463 105 T N 0.218 114.669 114.554 -0.171 0.000 2.847 105 T HA 0.176 4.526 4.350 -0.000 0.000 0.279 105 T C 1.215 175.866 174.700 -0.081 0.000 0.984 105 T CA -0.300 61.625 62.100 -0.292 0.000 0.988 105 T CB 1.763 70.402 68.868 -0.383 0.000 1.040 105 T HN 0.175 nan 8.240 nan 0.000 0.528 106 R N 1.152 121.633 120.500 -0.032 0.000 2.115 106 R HA 0.041 4.381 4.340 -0.000 0.000 0.230 106 R C 2.110 178.395 176.300 -0.026 0.000 1.111 106 R CA 2.261 58.366 56.100 0.008 0.000 0.976 106 R CB -0.593 29.736 30.300 0.049 0.000 0.870 106 R HN 0.859 nan 8.270 nan 0.000 0.445 107 E N 0.061 120.235 120.200 -0.043 0.000 2.077 107 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 107 E C 1.444 178.009 176.600 -0.059 0.000 0.989 107 E CA 1.465 57.837 56.400 -0.046 0.000 0.800 107 E CB 0.009 29.682 29.700 -0.046 0.000 0.746 107 E HN 0.424 nan 8.360 nan 0.000 0.452 108 E N -0.025 120.134 120.200 -0.069 0.000 2.208 108 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 108 E C 1.809 178.351 176.600 -0.098 0.000 0.988 108 E CA 0.388 56.747 56.400 -0.070 0.000 0.828 108 E CB -0.039 29.627 29.700 -0.056 0.000 0.763 108 E HN 0.202 nan 8.360 nan 0.000 0.478 109 L N 0.745 121.910 121.223 -0.096 0.000 2.027 109 L HA -0.143 4.197 4.340 -0.000 0.000 0.206 109 L C 1.299 178.060 176.870 -0.181 0.000 1.074 109 L CA 1.893 56.641 54.840 -0.153 0.000 0.745 109 L CB -0.358 41.654 42.059 -0.079 0.000 0.898 109 L HN 0.021 nan 8.230 nan 0.000 0.433 110 D N -0.423 119.914 120.400 -0.105 0.000 2.218 110 D HA -0.200 4.440 4.640 -0.000 0.000 0.204 110 D C 2.120 178.361 176.300 -0.097 0.000 0.976 110 D CA 1.031 54.981 54.000 -0.085 0.000 0.853 110 D CB 0.059 40.831 40.800 -0.047 0.000 0.939 110 D HN 0.385 nan 8.370 nan 0.000 0.481 111 K N 0.677 121.017 120.400 -0.100 0.000 2.031 111 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 111 K C 1.994 178.535 176.600 -0.098 0.000 1.049 111 K CA 0.846 57.086 56.287 -0.079 0.000 0.939 111 K CB 0.174 32.638 32.500 -0.060 0.000 0.717 111 K HN -0.119 nan 8.250 nan 0.000 0.438 112 K N 0.349 120.643 120.400 -0.176 0.000 2.148 112 K HA -0.172 4.148 4.320 -0.000 0.000 0.204 112 K C 2.187 178.507 176.600 -0.466 0.000 1.050 112 K CA 1.060 57.206 56.287 -0.236 0.000 0.942 112 K CB 0.030 32.282 32.500 -0.414 0.000 0.724 112 K HN -0.055 nan 8.250 nan 0.000 0.446 113 R N 1.145 121.369 120.500 -0.460 0.000 2.083 113 R HA -0.113 4.227 4.340 -0.000 0.000 0.237 113 R C 1.543 177.708 176.300 -0.225 0.000 1.137 113 R CA 1.908 57.848 56.100 -0.266 0.000 0.951 113 R CB -0.082 30.160 30.300 -0.096 0.000 0.851 113 R HN 0.273 nan 8.270 nan 0.000 0.434 114 Q N -0.434 119.272 119.800 -0.155 0.000 2.280 114 Q HA 0.121 4.461 4.340 -0.000 0.000 0.201 114 Q C 1.492 177.433 176.000 -0.098 0.000 0.890 114 Q CA 0.122 55.865 55.803 -0.101 0.000 0.947 114 Q CB 0.555 29.265 28.738 -0.047 0.000 1.081 114 Q HN 0.365 nan 8.270 nan 0.000 0.502 115 L N -0.415 120.735 121.223 -0.121 0.000 2.298 115 L HA 0.115 4.455 4.340 -0.000 0.000 0.209 115 L C 2.244 179.007 176.870 -0.179 0.000 1.084 115 L CA 0.505 55.332 54.840 -0.021 0.000 0.816 115 L CB -0.088 42.080 42.059 0.180 0.000 0.967 115 L HN 0.150 nan 8.230 nan 0.000 0.460 116 A N 0.259 122.641 122.820 -0.731 0.000 1.929 116 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 116 A C 1.984 179.199 177.584 -0.615 0.000 1.176 116 A CA 1.654 52.990 52.037 -1.168 0.000 0.628 116 A CB -0.582 17.302 19.000 -1.860 0.000 0.816 116 A HN 0.437 nan 8.150 nan 0.000 0.444 117 N N 0.288 118.732 118.700 -0.426 0.000 2.094 117 N HA -0.223 4.517 4.740 -0.000 0.000 0.191 117 N C 1.714 177.223 175.510 -0.002 0.000 1.023 117 N CA 2.111 55.139 53.050 -0.036 0.000 0.857 117 N CB -0.290 38.204 38.487 0.013 0.000 1.013 117 N HN 0.628 nan 8.380 nan 0.000 0.426 118 E N -0.741 119.438 120.200 -0.035 0.000 2.072 118 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 118 E C 1.029 177.650 176.600 0.036 0.000 0.982 118 E CA 0.971 57.378 56.400 0.011 0.000 0.803 118 E CB 0.137 29.847 29.700 0.017 0.000 0.755 118 E HN 0.232 nan 8.360 nan 0.000 0.453 119 K N -0.320 120.105 120.400 0.041 0.000 2.391 119 K HA 0.151 4.471 4.320 -0.000 0.000 0.197 119 K C 0.247 176.922 176.600 0.125 0.000 1.087 119 K CA -0.081 56.266 56.287 0.100 0.000 1.012 119 K CB 1.043 33.649 32.500 0.177 0.000 0.925 119 K HN -0.165 nan 8.250 nan 0.000 0.547 120 S N 1.029 116.800 115.700 0.118 0.000 2.455 120 S HA 0.102 4.572 4.470 -0.000 0.000 0.278 120 S C 0.912 175.629 174.600 0.195 0.000 1.216 120 S CA -0.387 57.948 58.200 0.224 0.000 1.055 120 S CB 0.306 63.693 63.200 0.312 0.000 0.939 120 S HN 0.202 nan 8.310 nan 0.000 0.494 121 L N 7.093 128.407 121.223 0.152 0.000 2.109 121 L HA 0.132 4.472 4.340 -0.000 0.000 0.207 121 L C 0.753 177.686 176.870 0.104 0.000 1.086 121 L CA 1.300 56.195 54.840 0.092 0.000 0.760 121 L CB -0.101 41.976 42.059 0.031 0.000 0.910 121 L HN 0.694 nan 8.230 nan 0.000 0.437 122 V N -3.148 116.872 119.914 0.177 0.000 3.193 122 V HA 0.367 4.487 4.120 -0.000 0.000 0.320 122 V C -0.223 175.979 176.094 0.181 0.000 1.112 122 V CA -0.943 61.453 62.300 0.161 0.000 1.026 122 V CB 1.110 33.035 31.823 0.171 0.000 1.128 122 V HN 0.265 nan 8.190 nan 0.000 0.452 123 D N 0.301 120.703 120.400 0.003 0.000 2.329 123 D HA 0.322 4.962 4.640 -0.000 0.000 0.246 123 D C -1.082 174.979 176.300 -0.399 0.000 1.111 123 D CA -0.164 53.684 54.000 -0.252 0.000 0.941 123 D CB 1.601 42.195 40.800 -0.342 0.000 1.169 123 D HN 0.782 nan 8.370 nan 0.000 0.441 124 Y N -1.698 118.273 120.300 -0.549 0.000 2.512 124 Y HA 0.707 5.257 4.550 -0.000 0.000 0.348 124 Y C -0.426 174.947 175.900 -0.879 0.000 0.990 124 Y CA -1.327 56.169 58.100 -1.007 0.000 1.033 124 Y CB 1.416 39.185 38.460 -1.151 0.000 1.259 124 Y HN 0.145 nan 8.280 nan 0.000 0.461 125 R N 1.684 121.665 120.500 -0.865 0.000 2.867 125 R HA 0.617 4.957 4.340 -0.000 0.000 0.268 125 R C -1.980 173.664 176.300 -1.094 0.000 1.014 125 R CA -1.491 54.034 56.100 -0.959 0.000 0.946 125 R CB 2.147 31.741 30.300 -1.176 0.000 1.208 125 R HN 0.861 nan 8.270 nan 0.000 0.477 126 F N -0.331 119.318 119.950 -0.502 0.000 2.556 126 F HA 0.403 4.930 4.527 -0.000 0.000 0.314 126 F C -0.422 175.147 175.800 -0.385 0.000 1.106 126 F CA -0.786 57.042 58.000 -0.286 0.000 0.911 126 F CB 1.650 40.583 39.000 -0.112 0.000 1.190 126 F HN 0.284 nan 8.300 nan 0.000 0.448 127 W N 1.801 123.122 121.300 0.035 0.000 2.272 127 W HA 0.550 5.210 4.660 -0.000 0.000 0.318 127 W C 0.601 177.143 176.519 0.038 0.000 1.255 127 W CA -0.290 57.038 57.345 -0.027 0.000 1.200 127 W CB 0.850 30.319 29.460 0.015 0.000 1.170 127 W HN 0.580 nan 8.180 nan 0.000 0.549 128 G N 1.094 110.014 108.800 0.201 0.000 2.528 128 G HA2 0.563 4.523 3.960 -0.000 0.000 0.289 128 G HA3 0.563 4.523 3.960 -0.000 0.000 0.289 128 G C -0.276 174.904 174.900 0.467 0.000 1.192 128 G CA -0.600 44.660 45.100 0.266 0.000 0.921 128 G HN 0.664 nan 8.290 nan 0.000 0.512 129 G N -1.713 107.361 108.800 0.456 0.000 2.491 129 G HA2 0.543 4.503 3.960 -0.000 0.000 0.327 129 G HA3 0.543 4.503 3.960 -0.000 0.000 0.327 129 G C -1.416 173.710 174.900 0.377 0.000 1.189 129 G CA -0.510 44.875 45.100 0.475 0.000 0.956 129 G HN 0.818 nan 8.290 nan 0.000 0.491 130 L N 1.575 122.958 121.223 0.266 0.000 2.534 130 L HA 0.418 4.758 4.340 -0.000 0.000 0.259 130 L C -0.054 176.752 176.870 -0.106 0.000 1.108 130 L CA -0.759 54.140 54.840 0.098 0.000 0.905 130 L CB 1.091 43.245 42.059 0.158 0.000 1.138 130 L HN 0.537 nan 8.230 nan 0.000 0.475 131 V N 2.495 122.278 119.914 -0.218 0.000 2.837 131 V HA 0.678 4.798 4.120 -0.000 0.000 0.310 131 V C -1.536 174.450 176.094 -0.180 0.000 1.059 131 V CA -1.483 60.632 62.300 -0.308 0.000 1.004 131 V CB 0.773 32.386 31.823 -0.351 0.000 1.045 131 V HN 0.438 nan 8.190 nan 0.000 0.465 132 P HA -0.172 nan 4.420 nan 0.000 0.226 132 P C 0.888 178.135 177.300 -0.088 0.000 1.154 132 P CA 2.528 65.544 63.100 -0.140 0.000 0.918 132 P CB -0.039 31.623 31.700 -0.063 0.000 0.790 133 G N -1.158 107.606 108.800 -0.059 0.000 4.912 133 G HA2 0.162 4.122 3.960 -0.000 0.000 0.307 133 G HA3 0.162 4.122 3.960 -0.000 0.000 0.307 133 G C -0.064 174.834 174.900 -0.004 0.000 1.381 133 G CA -0.216 44.866 45.100 -0.030 0.000 1.057 133 G HN 0.262 nan 8.290 nan 0.000 0.593 134 N N 0.252 118.948 118.700 -0.007 0.000 2.497 134 N HA 0.080 4.820 4.740 -0.000 0.000 0.284 134 N C 1.063 176.568 175.510 -0.009 0.000 1.459 134 N CA -0.630 52.459 53.050 0.066 0.000 0.899 134 N CB 0.027 38.595 38.487 0.134 0.000 1.316 134 N HN 0.250 nan 8.380 nan 0.000 0.500 135 I N -0.398 120.126 120.570 -0.076 0.000 2.361 135 I HA -0.156 4.014 4.170 -0.000 0.000 0.251 135 I C 0.873 176.905 176.117 -0.141 0.000 1.133 135 I CA 1.227 62.463 61.300 -0.108 0.000 1.413 135 I CB -0.335 37.605 38.000 -0.100 0.000 1.073 135 I HN -0.006 nan 8.210 nan 0.000 0.424 136 D N -0.162 120.097 120.400 -0.235 0.000 2.224 136 D HA -0.117 4.523 4.640 -0.000 0.000 0.205 136 D C 1.681 177.803 176.300 -0.296 0.000 0.965 136 D CA 1.275 55.083 54.000 -0.319 0.000 0.852 136 D CB -0.412 40.108 40.800 -0.467 0.000 0.947 136 D HN 0.542 nan 8.370 nan 0.000 0.494 137 H N -0.586 118.492 119.070 0.013 0.000 2.551 137 H HA 0.280 4.836 4.556 -0.000 0.000 0.271 137 H C 1.549 176.933 175.328 0.094 0.000 0.984 137 H CA -0.079 56.000 56.048 0.051 0.000 1.164 137 H CB 0.304 30.100 29.762 0.057 0.000 1.437 137 H HN 0.054 nan 8.280 nan 0.000 0.550 138 L N 0.113 121.397 121.223 0.101 0.000 2.156 138 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 138 L C 2.452 179.423 176.870 0.168 0.000 1.095 138 L CA 0.988 55.856 54.840 0.047 0.000 0.770 138 L CB -0.154 41.726 42.059 -0.299 0.000 0.914 138 L HN 0.278 nan 8.230 nan 0.000 0.439 139 Q N 0.564 120.421 119.800 0.094 0.000 2.079 139 Q HA -0.245 4.095 4.340 -0.000 0.000 0.200 139 Q C 1.778 177.887 176.000 0.183 0.000 0.974 139 Q CA 1.861 57.734 55.803 0.116 0.000 0.840 139 Q CB -0.116 28.649 28.738 0.046 0.000 0.898 139 Q HN 0.275 nan 8.270 nan 0.000 0.430 140 D N -0.769 119.734 120.400 0.172 0.000 2.178 140 D HA -0.089 4.551 4.640 -0.000 0.000 0.202 140 D C 1.637 178.045 176.300 0.181 0.000 0.974 140 D CA 0.810 54.910 54.000 0.166 0.000 0.841 140 D CB 0.039 40.950 40.800 0.184 0.000 0.953 140 D HN 0.345 nan 8.370 nan 0.000 0.478 141 L N -0.593 120.782 121.223 0.254 0.000 2.131 141 L HA -0.078 4.262 4.340 -0.000 0.000 0.206 141 L C 2.517 179.483 176.870 0.161 0.000 1.087 141 L CA 0.697 55.669 54.840 0.221 0.000 0.767 141 L CB -0.396 41.859 42.059 0.327 0.000 0.917 141 L HN 0.215 nan 8.230 nan 0.000 0.441 142 H N 0.538 119.714 119.070 0.177 0.000 2.357 142 H HA -0.163 4.393 4.556 -0.000 0.000 0.301 142 H C 1.297 176.652 175.328 0.045 0.000 1.082 142 H CA 1.806 57.910 56.048 0.092 0.000 1.342 142 H CB 0.253 30.146 29.762 0.219 0.000 1.389 142 H HN 0.316 nan 8.280 nan 0.000 0.511 143 D N -0.309 120.206 120.400 0.192 0.000 2.269 143 D HA -0.054 4.586 4.640 -0.000 0.000 0.208 143 D C 2.193 178.503 176.300 0.018 0.000 0.963 143 D CA 0.859 54.920 54.000 0.101 0.000 0.864 143 D CB -0.544 40.332 40.800 0.127 0.000 0.936 143 D HN 0.530 nan 8.370 nan 0.000 0.505 144 G N 0.260 109.072 108.800 0.020 0.000 2.414 144 G HA2 0.114 4.074 3.960 -0.000 0.000 0.215 144 G HA3 0.114 4.074 3.960 -0.000 0.000 0.215 144 G C 1.096 175.962 174.900 -0.057 0.000 1.188 144 G CA 0.862 45.958 45.100 -0.007 0.000 0.783 144 G HN 0.476 nan 8.290 nan 0.000 0.537 145 G N -1.019 107.713 108.800 -0.112 0.000 2.925 145 G HA2 0.264 4.224 3.960 -0.000 0.000 0.224 145 G HA3 0.264 4.224 3.960 -0.000 0.000 0.224 145 G C -0.045 174.711 174.900 -0.240 0.000 1.015 145 G CA -0.019 44.972 45.100 -0.182 0.000 1.026 145 G HN 1.190 nan 8.290 nan 0.000 0.608 146 V N -0.338 119.407 119.914 -0.280 0.000 2.775 146 V HA 0.646 4.766 4.120 -0.000 0.000 0.299 146 V C 1.709 177.497 176.094 -0.510 0.000 1.062 146 V CA 0.067 62.133 62.300 -0.390 0.000 1.063 146 V CB 0.823 32.397 31.823 -0.414 0.000 0.994 146 V HN 0.544 nan 8.190 nan 0.000 0.483 147 I N 1.163 121.314 120.570 -0.698 0.000 2.876 147 I HA 0.672 4.842 4.170 -0.000 0.000 0.264 147 I C 1.047 176.814 176.117 -0.584 0.000 1.204 147 I CA 0.947 61.806 61.300 -0.735 0.000 1.485 147 I CB -1.068 36.181 38.000 -1.251 0.000 1.103 147 I HN 1.045 nan 8.210 nan 0.000 0.446 148 G N -0.465 107.910 108.800 -0.709 0.000 2.451 148 G HA2 0.518 4.478 3.960 -0.000 0.000 0.292 148 G HA3 0.518 4.478 3.960 -0.000 0.000 0.292 148 G C -1.613 173.179 174.900 -0.178 0.000 1.427 148 G CA -0.863 44.044 45.100 -0.322 0.000 0.792 148 G HN -0.026 nan 8.290 nan 0.000 0.498 149 F N 0.190 120.438 119.950 0.497 0.000 2.483 149 F HA 0.785 5.312 4.527 -0.000 0.000 0.329 149 F C 0.521 176.657 175.800 0.559 0.000 1.064 149 F CA -0.837 57.458 58.000 0.492 0.000 0.986 149 F CB 2.438 41.629 39.000 0.319 0.000 1.218 149 F HN 0.084 nan 8.300 nan 0.000 0.484 150 K N 1.633 122.416 120.400 0.639 0.000 2.541 150 K HA 0.762 5.082 4.320 -0.000 0.000 0.250 150 K C -1.560 175.366 176.600 0.543 0.000 0.950 150 K CA -0.421 56.127 56.287 0.435 0.000 0.805 150 K CB 1.880 34.489 32.500 0.180 0.000 1.166 150 K HN 0.778 nan 8.250 nan 0.000 0.430 151 A N 3.651 126.757 122.820 0.476 0.000 2.356 151 A HA 0.795 5.115 4.320 -0.000 0.000 0.323 151 A C -1.371 176.604 177.584 0.652 0.000 1.119 151 A CA -0.582 51.764 52.037 0.514 0.000 0.790 151 A CB 0.684 19.867 19.000 0.306 0.000 1.273 151 A HN 0.507 nan 8.150 nan 0.000 0.452 152 F N 0.620 120.834 119.950 0.440 0.000 2.450 152 F HA 0.520 5.047 4.527 -0.000 0.000 0.332 152 F C 1.089 177.116 175.800 0.377 0.000 1.093 152 F CA -0.745 57.506 58.000 0.418 0.000 1.003 152 F CB 2.082 41.365 39.000 0.472 0.000 1.151 152 F HN 0.541 nan 8.300 nan 0.000 0.474 153 M N 0.827 120.654 119.600 0.379 0.000 2.346 153 M HA 0.223 4.703 4.480 -0.000 0.000 0.280 153 M C -0.152 176.284 176.300 0.226 0.000 1.075 153 M CA 0.322 55.840 55.300 0.363 0.000 0.989 153 M CB 0.402 33.124 32.600 0.204 0.000 1.447 153 M HN 0.302 nan 8.290 nan 0.000 0.511 154 S N 0.502 116.319 115.700 0.195 0.000 2.536 154 S HA 0.325 4.795 4.470 -0.000 0.000 0.287 154 S C -0.557 174.088 174.600 0.075 0.000 1.101 154 S CA -0.760 57.427 58.200 -0.021 0.000 0.950 154 S CB 1.830 65.004 63.200 -0.044 0.000 1.056 154 S HN 0.218 nan 8.310 nan 0.000 0.481 155 E N 1.400 121.517 120.200 -0.140 0.000 1.881 155 E HA 0.221 4.571 4.350 -0.000 0.000 0.264 155 E C -0.933 175.700 176.600 0.055 0.000 1.243 155 E CA 0.146 56.552 56.400 0.011 0.000 0.965 155 E CB 0.096 29.754 29.700 -0.070 0.000 1.055 155 E HN 0.303 nan 8.360 nan 0.000 0.412 156 C N 2.393 121.773 119.300 0.132 0.000 2.880 156 C HA 0.825 5.285 4.460 -0.000 0.000 0.320 156 C C 0.290 175.272 174.990 -0.015 0.000 1.176 156 C CA 0.317 59.363 59.018 0.046 0.000 1.390 156 C CB 0.891 28.681 27.740 0.083 0.000 1.846 156 C HN 0.932 nan 8.230 nan 0.000 0.478 157 G N 2.897 111.718 108.800 0.036 0.000 2.331 157 G HA2 0.123 4.083 3.960 -0.000 0.000 0.402 157 G HA3 0.123 4.083 3.960 -0.000 0.000 0.402 157 G C 0.270 175.396 174.900 0.377 0.000 1.275 157 G CA 0.313 45.526 45.100 0.187 0.000 1.003 157 G HN 0.660 nan 8.290 nan 0.000 0.500 158 T N -1.188 113.586 114.554 0.366 0.000 2.814 158 T HA 0.248 4.598 4.350 -0.000 0.000 0.254 158 T C 1.374 176.203 174.700 0.215 0.000 1.037 158 T CA 2.233 64.540 62.100 0.345 0.000 1.143 158 T CB -0.020 68.979 68.868 0.218 0.000 0.866 158 T HN 0.604 nan 8.240 nan 0.000 0.431 159 D N -0.851 119.642 120.400 0.155 0.000 2.181 159 D HA 0.049 4.689 4.640 -0.000 0.000 0.282 159 D C -0.405 175.959 176.300 0.106 0.000 1.244 159 D CA -0.198 53.872 54.000 0.117 0.000 1.190 159 D CB 0.603 41.453 40.800 0.085 0.000 1.845 159 D HN -0.077 nan 8.370 nan 0.000 0.485 160 D N 0.161 120.622 120.400 0.101 0.000 3.123 160 D HA 0.174 4.814 4.640 -0.000 0.000 0.305 160 D C -1.108 175.269 176.300 0.129 0.000 1.373 160 D CA -0.186 53.864 54.000 0.084 0.000 0.889 160 D CB 0.163 40.993 40.800 0.050 0.000 1.070 160 D HN 0.107 nan 8.370 nan 0.000 0.494 161 F N 1.814 121.756 119.950 -0.014 0.000 2.564 161 F HA 0.231 4.758 4.527 -0.000 0.000 0.361 161 F C 0.334 176.123 175.800 -0.018 0.000 1.161 161 F CA -0.662 57.304 58.000 -0.057 0.000 1.198 161 F CB 0.517 39.411 39.000 -0.176 0.000 1.424 161 F HN -0.227 nan 8.300 nan 0.000 0.517 162 Q N 3.405 123.164 119.800 -0.069 0.000 2.361 162 Q HA 0.100 4.440 4.340 -0.000 0.000 0.276 162 Q C -0.206 175.837 176.000 0.072 0.000 1.022 162 Q CA -0.204 55.625 55.803 0.043 0.000 0.898 162 Q CB 0.855 29.576 28.738 -0.029 0.000 1.246 162 Q HN 0.592 nan 8.270 nan 0.000 0.410 163 F N -0.391 119.625 119.950 0.110 0.000 2.471 163 F HA 0.289 4.816 4.527 -0.000 0.000 0.353 163 F C -0.125 175.754 175.800 0.132 0.000 1.113 163 F CA -0.750 57.366 58.000 0.195 0.000 1.262 163 F CB 0.643 39.781 39.000 0.229 0.000 1.146 163 F HN 0.152 nan 8.300 nan 0.000 0.578 164 S N 2.656 118.365 115.700 0.013 0.000 2.489 164 S HA 0.227 4.697 4.470 -0.000 0.000 0.277 164 S C -0.308 174.203 174.600 -0.148 0.000 1.230 164 S CA -0.587 57.512 58.200 -0.168 0.000 1.053 164 S CB -0.221 62.954 63.200 -0.041 0.000 0.955 164 S HN 0.858 nan 8.310 nan 0.000 0.488 165 H N 0.939 119.877 119.070 -0.220 0.000 2.509 165 H HA 0.399 4.955 4.556 -0.000 0.000 0.360 165 H C 0.299 175.680 175.328 0.088 0.000 1.398 165 H CA -0.734 55.275 56.048 -0.065 0.000 1.429 165 H CB 0.257 29.944 29.762 -0.126 0.000 1.611 165 H HN 0.312 nan 8.280 nan 0.000 0.606 166 D N -0.776 119.810 120.400 0.310 0.000 2.310 166 D HA -0.137 4.503 4.640 -0.000 0.000 0.212 166 D C 1.609 177.989 176.300 0.135 0.000 0.965 166 D CA 1.114 55.333 54.000 0.366 0.000 0.879 166 D CB -0.101 40.967 40.800 0.447 0.000 0.921 166 D HN 0.772 nan 8.370 nan 0.000 0.510 167 E N 0.014 120.296 120.200 0.136 0.000 2.076 167 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 167 E C 1.478 177.991 176.600 -0.145 0.000 0.979 167 E CA 0.923 57.330 56.400 0.011 0.000 0.807 167 E CB 0.281 30.080 29.700 0.165 0.000 0.761 167 E HN 0.097 nan 8.360 nan 0.000 0.454 168 T N 1.641 115.969 114.554 -0.377 0.000 2.777 168 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 168 T C 1.946 176.555 174.700 -0.151 0.000 1.040 168 T CA 0.948 62.837 62.100 -0.352 0.000 1.141 168 T CB -0.163 68.365 68.868 -0.567 0.000 0.868 168 T HN 0.125 nan 8.240 nan 0.000 0.444 169 L N 0.207 121.399 121.223 -0.051 0.000 2.046 169 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 169 L C 2.486 179.382 176.870 0.044 0.000 1.077 169 L CA 1.084 55.978 54.840 0.091 0.000 0.747 169 L CB -0.608 41.626 42.059 0.293 0.000 0.896 169 L HN 0.215 nan 8.230 nan 0.000 0.432 170 L N 0.089 121.256 121.223 -0.093 0.000 2.044 170 L HA -0.188 4.152 4.340 -0.000 0.000 0.205 170 L C 2.811 179.604 176.870 -0.127 0.000 1.075 170 L CA 1.428 56.145 54.840 -0.204 0.000 0.747 170 L CB -0.497 41.316 42.059 -0.410 0.000 0.903 170 L HN 0.331 nan 8.230 nan 0.000 0.435 171 K N 0.020 120.348 120.400 -0.120 0.000 2.097 171 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 171 K C 1.978 178.521 176.600 -0.095 0.000 1.049 171 K CA 1.578 57.804 56.287 -0.101 0.000 0.933 171 K CB -0.670 31.772 32.500 -0.097 0.000 0.717 171 K HN 0.228 nan 8.250 nan 0.000 0.442 172 G N 1.226 109.968 108.800 -0.096 0.000 2.403 172 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.216 172 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.216 172 G C 1.515 176.358 174.900 -0.096 0.000 1.154 172 G CA 0.620 45.651 45.100 -0.114 0.000 0.784 172 G HN 0.167 nan 8.290 nan 0.000 0.538 173 M N 0.953 120.529 119.600 -0.041 0.000 2.108 173 M HA -0.082 4.398 4.480 -0.000 0.000 0.261 173 M C 2.618 178.907 176.300 -0.018 0.000 1.066 173 M CA 1.936 57.236 55.300 -0.001 0.000 1.107 173 M CB -0.162 32.461 32.600 0.038 0.000 1.356 173 M HN 0.366 nan 8.290 nan 0.000 0.406 174 K N 0.109 120.484 120.400 -0.042 0.000 2.283 174 K HA -0.177 4.143 4.320 -0.000 0.000 0.202 174 K C 1.846 178.415 176.600 -0.051 0.000 1.048 174 K CA 1.345 57.607 56.287 -0.042 0.000 0.948 174 K CB -0.165 32.304 32.500 -0.051 0.000 0.742 174 K HN 0.256 nan 8.250 nan 0.000 0.458 175 K N 1.049 121.404 120.400 -0.075 0.000 2.067 175 K HA 0.069 4.389 4.320 -0.000 0.000 0.203 175 K C 2.101 178.647 176.600 -0.090 0.000 1.048 175 K CA 0.812 57.043 56.287 -0.093 0.000 0.954 175 K CB -0.032 32.390 32.500 -0.131 0.000 0.737 175 K HN 0.104 nan 8.250 nan 0.000 0.444 176 I N 1.244 121.755 120.570 -0.099 0.000 2.248 176 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 176 I C 2.368 178.511 176.117 0.043 0.000 1.107 176 I CA 1.321 62.613 61.300 -0.014 0.000 1.373 176 I CB -0.306 37.716 38.000 0.035 0.000 1.055 176 I HN 0.245 nan 8.210 nan 0.000 0.418 177 A N 0.545 123.377 122.820 0.020 0.000 1.929 177 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 177 A C 2.509 180.093 177.584 -0.000 0.000 1.176 177 A CA 1.516 53.567 52.037 0.024 0.000 0.628 177 A CB -0.681 18.331 19.000 0.020 0.000 0.816 177 A HN 0.414 nan 8.150 nan 0.000 0.444 178 A N -0.556 122.250 122.820 -0.023 0.000 2.067 178 A HA 0.125 4.445 4.320 -0.000 0.000 0.219 178 A C 1.951 179.499 177.584 -0.061 0.000 1.158 178 A CA 1.089 53.105 52.037 -0.035 0.000 0.661 178 A CB -0.446 18.530 19.000 -0.040 0.000 0.801 178 A HN 0.457 nan 8.150 nan 0.000 0.452 179 L N -1.379 119.787 121.223 -0.095 0.000 2.492 179 L HA 0.146 4.486 4.340 -0.000 0.000 0.223 179 L C 1.696 178.458 176.870 -0.180 0.000 1.132 179 L CA 0.574 55.273 54.840 -0.235 0.000 0.850 179 L CB -0.228 41.627 42.059 -0.340 0.000 0.966 179 L HN 0.552 nan 8.230 nan 0.000 0.454 180 G N -0.023 108.756 108.800 -0.034 0.000 2.176 180 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.252 180 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.252 180 G C 0.375 175.340 174.900 0.107 0.000 1.024 180 G CA 0.534 45.657 45.100 0.039 0.000 0.755 180 G HN 0.344 nan 8.290 nan 0.000 0.507 181 S N -1.344 114.438 115.700 0.138 0.000 2.590 181 S HA 0.882 5.352 4.470 -0.000 0.000 0.282 181 S C 0.227 174.980 174.600 0.255 0.000 1.136 181 S CA 0.032 58.390 58.200 0.264 0.000 1.030 181 S CB 1.093 64.565 63.200 0.453 0.000 1.195 181 S HN 1.058 nan 8.310 nan 0.000 0.506 182 I N 0.873 121.652 120.570 0.349 0.000 2.827 182 I HA 0.544 4.714 4.170 -0.000 0.000 0.298 182 I C -2.073 174.337 176.117 0.488 0.000 1.235 182 I CA -0.924 60.582 61.300 0.343 0.000 1.021 182 I CB 1.899 40.071 38.000 0.287 0.000 1.259 182 I HN 0.582 nan 8.210 nan 0.000 0.427 183 L N 7.011 128.490 121.223 0.427 0.000 2.341 183 L HA 0.863 5.203 4.340 -0.000 0.000 0.278 183 L C -0.592 176.541 176.870 0.438 0.000 1.005 183 L CA -0.016 55.104 54.840 0.467 0.000 0.818 183 L CB 1.558 43.819 42.059 0.338 0.000 1.259 183 L HN 0.657 nan 8.230 nan 0.000 0.418 184 A N 4.643 127.746 122.820 0.472 0.000 2.303 184 A HA 0.782 5.102 4.320 -0.000 0.000 0.317 184 A C -0.789 176.880 177.584 0.141 0.000 1.149 184 A CA -0.152 52.041 52.037 0.261 0.000 0.822 184 A CB 1.123 20.161 19.000 0.062 0.000 1.131 184 A HN 1.104 nan 8.150 nan 0.000 0.493 185 V N -0.324 119.610 119.914 0.033 0.000 2.876 185 V HA 0.503 4.623 4.120 -0.000 0.000 0.312 185 V C -0.254 175.776 176.094 -0.107 0.000 1.085 185 V CA -0.759 61.560 62.300 0.031 0.000 0.945 185 V CB 1.353 33.217 31.823 0.068 0.000 1.017 185 V HN 0.943 nan 8.190 nan 0.000 0.428 186 H N 3.115 122.023 119.070 -0.268 0.000 3.205 186 H HA 0.607 5.163 4.556 -0.000 0.000 0.262 186 H C 0.735 175.951 175.328 -0.187 0.000 1.333 186 H CA 0.496 56.307 56.048 -0.396 0.000 1.499 186 H CB 0.522 29.575 29.762 -1.182 0.000 1.609 186 H HN 1.117 nan 8.280 nan 0.000 0.498 187 A N 5.576 128.298 122.820 -0.163 0.000 3.037 187 A HA 0.186 4.506 4.320 -0.000 0.000 0.272 187 A C -0.137 177.410 177.584 -0.061 0.000 1.723 187 A CA -0.297 51.687 52.037 -0.088 0.000 1.413 187 A CB -0.258 18.669 19.000 -0.121 0.000 1.112 187 A HN 0.831 nan 8.150 nan 0.000 0.606 188 E N 0.307 120.524 120.200 0.027 0.000 2.317 188 E HA 0.350 4.700 4.350 -0.000 0.000 0.270 188 E C -0.833 175.778 176.600 0.018 0.000 0.885 188 E CA -0.647 55.768 56.400 0.025 0.000 0.760 188 E CB 1.955 31.702 29.700 0.079 0.000 1.227 188 E HN 0.348 nan 8.360 nan 0.000 0.434 189 S N 1.644 117.336 115.700 -0.012 0.000 2.422 189 S HA 0.022 4.492 4.470 -0.000 0.000 0.283 189 S C 0.849 175.421 174.600 -0.047 0.000 1.163 189 S CA -0.174 58.015 58.200 -0.018 0.000 1.054 189 S CB 0.186 63.371 63.200 -0.024 0.000 0.967 189 S HN 0.617 nan 8.310 nan 0.000 0.499 190 N N 4.447 123.099 118.700 -0.079 0.000 2.061 190 N HA -0.152 4.588 4.740 -0.000 0.000 0.193 190 N C 1.467 176.885 175.510 -0.154 0.000 1.030 190 N CA 2.015 54.937 53.050 -0.213 0.000 0.856 190 N CB 0.012 38.212 38.487 -0.479 0.000 1.023 190 N HN 0.686 nan 8.380 nan 0.000 0.424 191 E N -0.198 119.953 120.200 -0.082 0.000 2.112 191 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 191 E C 2.057 178.629 176.600 -0.047 0.000 0.979 191 E CA 0.620 56.988 56.400 -0.052 0.000 0.814 191 E CB -0.253 29.441 29.700 -0.010 0.000 0.762 191 E HN 0.572 nan 8.360 nan 0.000 0.460 192 M N 0.522 120.096 119.600 -0.042 0.000 2.159 192 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 192 M C 2.379 178.650 176.300 -0.049 0.000 1.063 192 M CA 1.067 56.343 55.300 -0.040 0.000 1.110 192 M CB -0.199 32.380 32.600 -0.036 0.000 1.374 192 M HN -0.070 nan 8.290 nan 0.000 0.411 193 V N 1.649 121.529 119.914 -0.057 0.000 2.229 193 V HA -0.266 3.854 4.120 -0.000 0.000 0.243 193 V C 1.801 177.859 176.094 -0.060 0.000 1.042 193 V CA 2.307 64.574 62.300 -0.056 0.000 1.000 193 V CB -1.157 30.634 31.823 -0.054 0.000 0.637 193 V HN 0.614 nan 8.190 nan 0.000 0.446 194 N N 1.495 120.153 118.700 -0.071 0.000 2.573 194 N HA -0.021 4.719 4.740 -0.000 0.000 0.187 194 N C 1.282 176.748 175.510 -0.073 0.000 1.107 194 N CA 1.360 54.366 53.050 -0.073 0.000 0.918 194 N CB -0.287 38.155 38.487 -0.075 0.000 0.966 194 N HN 0.434 nan 8.380 nan 0.000 0.448 195 A N 0.767 123.548 122.820 -0.065 0.000 1.861 195 A HA 0.186 4.506 4.320 -0.000 0.000 0.212 195 A C 2.128 179.668 177.584 -0.072 0.000 1.199 195 A CA 0.525 52.527 52.037 -0.060 0.000 0.613 195 A CB -0.650 18.323 19.000 -0.044 0.000 0.846 195 A HN 0.265 nan 8.150 nan 0.000 0.446 196 L N -0.235 120.946 121.223 -0.069 0.000 2.217 196 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 196 L C 2.550 179.348 176.870 -0.120 0.000 1.107 196 L CA 1.447 56.243 54.840 -0.073 0.000 0.783 196 L CB -0.452 41.577 42.059 -0.050 0.000 0.919 196 L HN 0.353 nan 8.230 nan 0.000 0.442 197 T N -1.680 112.786 114.554 -0.147 0.000 2.812 197 T HA -0.130 4.220 4.350 -0.000 0.000 0.264 197 T C 1.888 176.377 174.700 -0.352 0.000 1.042 197 T CA 1.689 63.615 62.100 -0.291 0.000 1.140 197 T CB -0.166 68.600 68.868 -0.169 0.000 0.870 197 T HN 0.295 nan 8.240 nan 0.000 0.445 198 T N 2.169 116.601 114.554 -0.205 0.000 2.821 198 T HA 0.071 4.421 4.350 -0.000 0.000 0.267 198 T C 1.955 176.562 174.700 -0.156 0.000 1.046 198 T CA 0.759 62.759 62.100 -0.165 0.000 1.139 198 T CB -0.347 68.460 68.868 -0.102 0.000 0.871 198 T HN 0.309 nan 8.240 nan 0.000 0.454 199 I N 1.315 121.801 120.570 -0.138 0.000 2.163 199 I HA -0.135 4.035 4.170 -0.000 0.000 0.240 199 I C 2.879 178.920 176.117 -0.127 0.000 1.081 199 I CA 1.199 62.435 61.300 -0.107 0.000 1.353 199 I CB -0.398 37.557 38.000 -0.074 0.000 1.054 199 I HN 0.174 nan 8.210 nan 0.000 0.407 200 A N 0.463 123.173 122.820 -0.184 0.000 2.015 200 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 200 A C 2.256 179.709 177.584 -0.219 0.000 1.163 200 A CA 1.203 53.142 52.037 -0.163 0.000 0.646 200 A CB -0.690 18.253 19.000 -0.094 0.000 0.806 200 A HN 0.395 nan 8.150 nan 0.000 0.448 201 I N -0.957 119.380 120.570 -0.388 0.000 2.233 201 I HA -0.162 4.008 4.170 -0.000 0.000 0.243 201 I C 2.231 178.285 176.117 -0.106 0.000 1.093 201 I CA 1.308 62.448 61.300 -0.267 0.000 1.380 201 I CB -0.208 37.602 38.000 -0.317 0.000 1.067 201 I HN 0.220 nan 8.210 nan 0.000 0.413 202 E N 0.598 120.734 120.200 -0.106 0.000 2.427 202 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 202 E C 1.249 177.827 176.600 -0.038 0.000 1.028 202 E CA 0.546 56.910 56.400 -0.060 0.000 0.864 202 E CB 0.081 29.746 29.700 -0.059 0.000 0.813 202 E HN 0.400 nan 8.360 nan 0.000 0.514 203 E N 0.266 120.443 120.200 -0.038 0.000 2.444 203 E HA 0.019 4.369 4.350 -0.000 0.000 0.191 203 E C -0.129 176.472 176.600 0.002 0.000 1.041 203 E CA -0.069 56.320 56.400 -0.018 0.000 0.883 203 E CB 0.364 30.052 29.700 -0.019 0.000 1.024 203 E HN 0.101 nan 8.360 nan 0.000 0.470 204 Q N -0.533 119.273 119.800 0.009 0.000 2.439 204 Q HA -0.246 4.094 4.340 -0.000 0.000 0.247 204 Q C -0.373 175.656 176.000 0.049 0.000 0.899 204 Q CA 0.992 56.813 55.803 0.029 0.000 1.201 204 Q CB -1.679 27.069 28.738 0.018 0.000 1.608 204 Q HN 0.381 nan 8.270 nan 0.000 0.563 205 R N 0.772 121.311 120.500 0.065 0.000 2.408 205 R HA 0.342 4.682 4.340 -0.000 0.000 0.308 205 R C 0.978 177.375 176.300 0.161 0.000 1.210 205 R CA -0.129 56.021 56.100 0.083 0.000 1.115 205 R CB 0.252 30.592 30.300 0.066 0.000 1.127 205 R HN 0.125 nan 8.270 nan 0.000 0.523 206 L N 1.659 122.952 121.223 0.117 0.000 2.965 206 L HA 0.135 4.475 4.340 -0.000 0.000 0.254 206 L C 0.890 177.744 176.870 -0.027 0.000 1.220 206 L CA -0.297 54.615 54.840 0.121 0.000 1.023 206 L CB 0.240 42.364 42.059 0.107 0.000 1.355 206 L HN 0.542 nan 8.230 nan 0.000 0.545 207 T N -3.115 111.417 114.554 -0.036 0.000 2.833 207 T HA 0.207 4.557 4.350 -0.000 0.000 0.292 207 T C 1.494 176.068 174.700 -0.210 0.000 1.031 207 T CA 0.007 62.045 62.100 -0.103 0.000 0.937 207 T CB 1.290 70.116 68.868 -0.069 0.000 1.256 207 T HN -0.047 nan 8.240 nan 0.000 0.551 208 V N -1.013 118.731 119.914 -0.284 0.000 2.591 208 V HA 0.092 4.212 4.120 -0.000 0.000 0.249 208 V C 2.513 178.381 176.094 -0.377 0.000 1.053 208 V CA 1.463 63.441 62.300 -0.536 0.000 1.068 208 V CB -1.173 30.132 31.823 -0.864 0.000 0.689 208 V HN 0.918 nan 8.190 nan 0.000 0.462 209 K N 0.411 120.690 120.400 -0.202 0.000 2.097 209 K HA -0.203 4.117 4.320 -0.000 0.000 0.205 209 K C 1.829 178.394 176.600 -0.058 0.000 1.050 209 K CA 1.923 58.148 56.287 -0.103 0.000 0.938 209 K CB -0.332 32.135 32.500 -0.055 0.000 0.718 209 K HN 0.539 nan 8.250 nan 0.000 0.442 210 D N -0.207 120.177 120.400 -0.027 0.000 2.219 210 D HA -0.167 4.473 4.640 -0.000 0.000 0.205 210 D C 1.700 178.091 176.300 0.151 0.000 0.970 210 D CA 0.847 54.885 54.000 0.063 0.000 0.851 210 D CB -0.169 40.697 40.800 0.110 0.000 0.943 210 D HN 0.325 nan 8.370 nan 0.000 0.488 211 Y N 1.439 121.667 120.300 -0.120 0.000 2.220 211 Y HA -0.123 4.427 4.550 -0.000 0.000 0.291 211 Y C 2.449 178.325 175.900 -0.040 0.000 1.129 211 Y CA 1.449 59.440 58.100 -0.182 0.000 1.161 211 Y CB -0.379 37.718 38.460 -0.605 0.000 0.997 211 Y HN -0.155 nan 8.280 nan 0.000 0.522 212 S N 0.021 115.542 115.700 -0.298 0.000 2.382 212 S HA -0.199 4.271 4.470 -0.000 0.000 0.228 212 S C 1.661 176.155 174.600 -0.177 0.000 1.027 212 S CA 1.734 59.773 58.200 -0.269 0.000 0.991 212 S CB -0.387 62.770 63.200 -0.071 0.000 0.823 212 S HN 0.711 nan 8.310 nan 0.000 0.469 213 E N 0.076 120.218 120.200 -0.097 0.000 2.481 213 E HA 0.206 4.556 4.350 -0.000 0.000 0.195 213 E C 1.804 178.375 176.600 -0.048 0.000 1.047 213 E CA 0.472 56.839 56.400 -0.055 0.000 0.867 213 E CB 0.008 29.694 29.700 -0.022 0.000 0.858 213 E HN 0.611 nan 8.360 nan 0.000 0.513 214 A N 1.159 123.950 122.820 -0.048 0.000 2.095 214 A HA 0.051 4.371 4.320 -0.000 0.000 0.212 214 A C 1.095 178.638 177.584 -0.067 0.000 1.162 214 A CA 0.170 52.200 52.037 -0.011 0.000 0.753 214 A CB 0.223 19.311 19.000 0.146 0.000 0.840 214 A HN -0.002 nan 8.150 nan 0.000 0.468 215 R N 0.448 120.852 120.500 -0.159 0.000 2.748 215 R HA 0.278 4.618 4.340 -0.000 0.000 0.283 215 R C -2.952 173.272 176.300 -0.127 0.000 1.507 215 R CA -1.626 54.387 56.100 -0.145 0.000 1.666 215 R CB 0.885 31.064 30.300 -0.202 0.000 1.237 215 R HN 0.287 nan 8.270 nan 0.000 0.633 216 P HA 0.263 nan 4.420 nan 0.000 0.302 216 P C 0.916 178.178 177.300 -0.064 0.000 1.307 216 P CA -0.525 62.531 63.100 -0.072 0.000 0.754 216 P CB 0.990 32.657 31.700 -0.054 0.000 1.298 217 I N -0.578 119.959 120.570 -0.055 0.000 2.353 217 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 217 I C 2.255 178.340 176.117 -0.054 0.000 1.119 217 I CA 1.082 62.348 61.300 -0.058 0.000 1.417 217 I CB -0.670 37.301 38.000 -0.049 0.000 1.078 217 I HN -0.015 nan 8.210 nan 0.000 0.421 218 V N 0.269 120.156 119.914 -0.045 0.000 2.380 218 V HA -0.319 3.801 4.120 -0.000 0.000 0.251 218 V C 2.642 178.710 176.094 -0.043 0.000 1.063 218 V CA 2.270 64.546 62.300 -0.040 0.000 1.055 218 V CB -1.044 30.760 31.823 -0.033 0.000 0.657 218 V HN 0.549 nan 8.190 nan 0.000 0.455 219 S N -0.482 115.191 115.700 -0.046 0.000 2.368 219 S HA -0.226 4.244 4.470 -0.000 0.000 0.224 219 S C 1.980 176.551 174.600 -0.049 0.000 1.029 219 S CA 1.730 59.903 58.200 -0.044 0.000 0.988 219 S CB -0.261 62.913 63.200 -0.045 0.000 0.838 219 S HN 0.707 nan 8.310 nan 0.000 0.462 220 E N 0.535 120.699 120.200 -0.060 0.000 2.031 220 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 220 E C 2.167 178.724 176.600 -0.073 0.000 0.994 220 E CA 1.458 57.814 56.400 -0.073 0.000 0.800 220 E CB -0.339 29.305 29.700 -0.093 0.000 0.752 220 E HN 0.507 nan 8.360 nan 0.000 0.447 221 L N 1.172 122.356 121.223 -0.066 0.000 2.043 221 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 221 L C 2.745 179.579 176.870 -0.060 0.000 1.075 221 L CA 1.165 55.968 54.840 -0.061 0.000 0.752 221 L CB -0.375 41.653 42.059 -0.051 0.000 0.891 221 L HN 0.166 nan 8.230 nan 0.000 0.432 222 E N 0.387 120.554 120.200 -0.055 0.000 2.051 222 E HA -0.234 4.116 4.350 -0.000 0.000 0.192 222 E C 2.183 178.737 176.600 -0.077 0.000 0.991 222 E CA 1.522 57.887 56.400 -0.057 0.000 0.799 222 E CB 0.026 29.700 29.700 -0.043 0.000 0.748 222 E HN 0.442 nan 8.360 nan 0.000 0.449 223 A N 0.757 123.536 122.820 -0.069 0.000 1.902 223 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 223 A C 2.591 180.115 177.584 -0.101 0.000 1.181 223 A CA 1.507 53.498 52.037 -0.077 0.000 0.623 223 A CB -0.748 18.227 19.000 -0.042 0.000 0.818 223 A HN 0.194 nan 8.150 nan 0.000 0.443 224 V N -0.094 119.766 119.914 -0.090 0.000 2.287 224 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 224 V C 2.478 178.516 176.094 -0.094 0.000 1.053 224 V CA 2.483 64.730 62.300 -0.089 0.000 1.027 224 V CB -0.791 30.983 31.823 -0.083 0.000 0.646 224 V HN 0.664 nan 8.190 nan 0.000 0.447 225 E N -0.406 119.739 120.200 -0.092 0.000 2.038 225 E HA -0.283 4.067 4.350 -0.000 0.000 0.195 225 E C 2.414 178.929 176.600 -0.141 0.000 1.000 225 E CA 1.707 58.054 56.400 -0.089 0.000 0.803 225 E CB -0.200 29.459 29.700 -0.069 0.000 0.750 225 E HN 0.438 nan 8.360 nan 0.000 0.448 226 R N 0.488 120.856 120.500 -0.218 0.000 2.080 226 R HA -0.175 4.165 4.340 -0.000 0.000 0.236 226 R C 2.279 178.179 176.300 -0.666 0.000 1.137 226 R CA 1.518 57.348 56.100 -0.449 0.000 0.943 226 R CB -0.372 29.654 30.300 -0.458 0.000 0.846 226 R HN 0.151 nan 8.270 nan 0.000 0.431 227 I N 0.533 120.859 120.570 -0.406 0.000 2.493 227 I HA -0.194 3.976 4.170 -0.000 0.000 0.254 227 I C 1.794 177.880 176.117 -0.051 0.000 1.160 227 I CA 1.034 62.203 61.300 -0.217 0.000 1.445 227 I CB 0.075 38.026 38.000 -0.081 0.000 1.086 227 I HN 0.266 nan 8.210 nan 0.000 0.433 228 L N -0.469 120.717 121.223 -0.062 0.000 2.027 228 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 228 L C 2.661 179.558 176.870 0.045 0.000 1.074 228 L CA 0.920 55.760 54.840 -0.001 0.000 0.745 228 L CB -0.606 41.443 42.059 -0.017 0.000 0.898 228 L HN 0.101 nan 8.230 nan 0.000 0.433 229 R N -0.176 120.343 120.500 0.032 0.000 2.081 229 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 229 R C 2.251 178.708 176.300 0.262 0.000 1.131 229 R CA 1.508 57.676 56.100 0.114 0.000 0.960 229 R CB -1.028 29.332 30.300 0.101 0.000 0.856 229 R HN 0.365 nan 8.270 nan 0.000 0.436 230 F N 0.795 120.758 119.950 0.022 0.000 2.126 230 F HA -0.244 4.283 4.527 -0.000 0.000 0.299 230 F C 2.586 178.399 175.800 0.022 0.000 1.096 230 F CA 0.589 58.602 58.000 0.023 0.000 1.255 230 F CB -0.254 38.763 39.000 0.028 0.000 0.997 230 F HN 0.128 nan 8.300 nan 0.000 0.479 231 A N -0.208 122.747 122.820 0.225 0.000 1.969 231 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 231 A C 2.002 179.641 177.584 0.092 0.000 1.169 231 A CA 1.313 53.430 52.037 0.132 0.000 0.635 231 A CB -0.670 18.392 19.000 0.105 0.000 0.810 231 A HN 0.433 nan 8.150 nan 0.000 0.445 232 Q N -0.724 119.130 119.800 0.091 0.000 2.119 232 Q HA -0.042 4.298 4.340 -0.000 0.000 0.201 232 Q C 2.078 178.110 176.000 0.053 0.000 0.972 232 Q CA 1.132 56.973 55.803 0.063 0.000 0.847 232 Q CB -0.221 28.553 28.738 0.060 0.000 0.903 232 Q HN 0.679 nan 8.270 nan 0.000 0.433 233 L N 0.023 121.283 121.223 0.062 0.000 2.044 233 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 233 L C 1.975 178.856 176.870 0.019 0.000 1.075 233 L CA 1.306 56.165 54.840 0.033 0.000 0.747 233 L CB -0.257 41.813 42.059 0.018 0.000 0.903 233 L HN 0.278 nan 8.230 nan 0.000 0.435 234 T N -1.295 113.276 114.554 0.028 0.000 2.732 234 T HA -0.129 4.221 4.350 -0.000 0.000 0.261 234 T C 1.014 175.727 174.700 0.022 0.000 1.040 234 T CA 1.153 63.263 62.100 0.017 0.000 1.145 234 T CB -0.223 68.661 68.868 0.027 0.000 0.866 234 T HN 0.593 nan 8.240 nan 0.000 0.427 235 C N 1.181 120.503 119.300 0.035 0.000 4.633 235 C HA -0.106 4.354 4.460 -0.000 0.000 0.293 235 C C 0.832 175.847 174.990 0.042 0.000 1.226 235 C CA -1.144 57.895 59.018 0.034 0.000 2.186 235 C CB -3.170 24.584 27.740 0.023 0.000 1.230 235 C HN 0.806 nan 8.230 nan 0.000 0.751 236 C N 2.190 121.525 119.300 0.058 0.000 2.255 236 C HA 0.615 5.075 4.460 -0.000 0.000 0.326 236 C C -1.844 173.200 174.990 0.090 0.000 1.258 236 C CA -1.785 57.279 59.018 0.076 0.000 1.676 236 C CB -0.098 27.693 27.740 0.084 0.000 2.314 236 C HN 0.530 nan 8.230 nan 0.000 0.509 237 P HA 0.206 nan 4.420 nan 0.000 0.265 237 P C -0.494 176.886 177.300 0.133 0.000 1.187 237 P CA 0.480 63.633 63.100 0.089 0.000 0.766 237 P CB 0.291 32.035 31.700 0.073 0.000 0.820 238 I N 1.758 122.402 120.570 0.124 0.000 2.656 238 I HA 0.487 4.657 4.170 -0.000 0.000 0.292 238 I C -1.576 174.661 176.117 0.200 0.000 1.144 238 I CA -0.971 60.428 61.300 0.166 0.000 1.038 238 I CB 2.129 40.204 38.000 0.124 0.000 1.244 238 I HN 0.297 nan 8.210 nan 0.000 0.420 239 H N 7.341 126.498 119.070 0.145 0.000 2.524 239 H HA 0.616 5.172 4.556 -0.000 0.000 0.353 239 H C -1.400 173.971 175.328 0.072 0.000 1.136 239 H CA -0.618 55.508 56.048 0.130 0.000 1.193 239 H CB 1.591 31.523 29.762 0.283 0.000 1.558 239 H HN 0.444 nan 8.280 nan 0.000 0.515 240 I N 4.957 125.202 120.570 -0.543 0.000 2.355 240 I HA 0.156 4.326 4.170 -0.000 0.000 0.288 240 I C 0.178 175.895 176.117 -0.667 0.000 0.999 240 I CA -0.575 60.449 61.300 -0.459 0.000 1.163 240 I CB 0.280 38.129 38.000 -0.251 0.000 1.316 240 I HN 0.598 nan 8.210 nan 0.000 0.454 241 C N 5.576 124.534 119.300 -0.570 0.000 2.595 241 C HA 0.175 4.635 4.460 -0.000 0.000 0.384 241 C C 0.869 175.490 174.990 -0.614 0.000 1.289 241 C CA -0.409 58.225 59.018 -0.640 0.000 2.372 241 C CB -0.482 26.771 27.740 -0.812 0.000 2.593 241 C HN 0.947 nan 8.230 nan 0.000 0.639 242 H N -1.286 117.704 119.070 -0.133 0.000 1.768 242 H HA -0.117 4.439 4.556 -0.000 0.000 0.305 242 H C -0.903 174.209 175.328 -0.359 0.000 0.768 242 H CA -0.291 55.667 56.048 -0.151 0.000 1.023 242 H CB -1.114 28.659 29.762 0.019 0.000 1.484 242 H HN 0.399 nan 8.280 nan 0.000 0.250 243 V N 3.875 123.603 119.914 -0.311 0.000 2.383 243 V HA 0.030 4.150 4.120 -0.000 0.000 0.275 243 V C 1.458 177.175 176.094 -0.630 0.000 1.036 243 V CA 0.416 62.494 62.300 -0.371 0.000 0.889 243 V CB 1.674 33.347 31.823 -0.250 0.000 0.985 243 V HN 0.872 nan 8.190 nan 0.000 0.459 244 S N 2.553 117.886 115.700 -0.613 0.000 2.501 244 S HA 0.112 4.582 4.470 -0.000 0.000 0.220 244 S C 0.798 175.229 174.600 -0.282 0.000 0.997 244 S CA 0.240 58.056 58.200 -0.640 0.000 0.919 244 S CB 0.281 63.261 63.200 -0.367 0.000 0.778 244 S HN 0.608 nan 8.310 nan 0.000 0.523 245 S N -0.093 115.480 115.700 -0.211 0.000 2.599 245 S HA 0.522 4.992 4.470 -0.000 0.000 0.287 245 S C 0.354 174.889 174.600 -0.109 0.000 1.105 245 S CA -0.886 57.242 58.200 -0.121 0.000 0.899 245 S CB 1.755 64.907 63.200 -0.080 0.000 1.100 245 S HN 0.261 nan 8.310 nan 0.000 0.482 246 R N 1.281 121.739 120.500 -0.071 0.000 2.189 246 R HA 0.044 4.384 4.340 -0.000 0.000 0.218 246 R C 1.479 177.750 176.300 -0.048 0.000 1.074 246 R CA 1.067 57.135 56.100 -0.055 0.000 0.991 246 R CB -0.159 30.125 30.300 -0.027 0.000 0.883 246 R HN 0.615 nan 8.270 nan 0.000 0.457 247 K N -0.322 120.051 120.400 -0.046 0.000 2.063 247 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 247 K C 1.917 178.486 176.600 -0.051 0.000 1.048 247 K CA 1.661 57.923 56.287 -0.041 0.000 0.928 247 K CB -0.060 32.416 32.500 -0.039 0.000 0.713 247 K HN 0.022 nan 8.250 nan 0.000 0.442 248 V N 1.751 121.623 119.914 -0.069 0.000 2.358 248 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 248 V C 2.216 178.267 176.094 -0.072 0.000 1.047 248 V CA 1.419 63.672 62.300 -0.078 0.000 1.035 248 V CB -0.439 31.321 31.823 -0.105 0.000 0.658 248 V HN 0.271 nan 8.190 nan 0.000 0.452 249 L N -0.339 120.841 121.223 -0.073 0.000 2.042 249 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 249 L C 2.588 179.433 176.870 -0.042 0.000 1.076 249 L CA 1.755 56.558 54.840 -0.061 0.000 0.749 249 L CB -0.550 41.473 42.059 -0.060 0.000 0.893 249 L HN 0.301 nan 8.230 nan 0.000 0.432 250 K N -0.677 119.701 120.400 -0.036 0.000 2.211 250 K HA -0.180 4.140 4.320 -0.000 0.000 0.203 250 K C 2.186 178.771 176.600 -0.025 0.000 1.050 250 K CA 0.649 56.920 56.287 -0.025 0.000 0.945 250 K CB -0.023 32.465 32.500 -0.020 0.000 0.732 250 K HN 0.029 nan 8.250 nan 0.000 0.451 251 R N 1.570 122.051 120.500 -0.032 0.000 2.073 251 R HA -0.005 4.335 4.340 -0.000 0.000 0.229 251 R C 1.788 178.071 176.300 -0.028 0.000 1.120 251 R CA 1.253 57.335 56.100 -0.030 0.000 0.967 251 R CB -0.369 29.908 30.300 -0.038 0.000 0.862 251 R HN 0.118 nan 8.270 nan 0.000 0.436 252 I N 0.492 121.042 120.570 -0.033 0.000 2.315 252 I HA -0.197 3.973 4.170 -0.000 0.000 0.248 252 I C 2.392 178.498 176.117 -0.018 0.000 1.117 252 I CA 1.307 62.590 61.300 -0.028 0.000 1.404 252 I CB -0.346 37.632 38.000 -0.037 0.000 1.071 252 I HN 0.165 nan 8.210 nan 0.000 0.419 253 K N 1.052 121.441 120.400 -0.019 0.000 2.097 253 K HA -0.267 4.053 4.320 -0.000 0.000 0.206 253 K C 2.243 178.837 176.600 -0.010 0.000 1.049 253 K CA 1.570 57.849 56.287 -0.013 0.000 0.933 253 K CB -0.101 32.391 32.500 -0.013 0.000 0.717 253 K HN 0.349 nan 8.250 nan 0.000 0.442 254 Q N -0.087 119.706 119.800 -0.011 0.000 2.079 254 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 254 Q C 1.871 177.867 176.000 -0.005 0.000 0.974 254 Q CA 1.464 57.262 55.803 -0.008 0.000 0.840 254 Q CB -0.148 28.585 28.738 -0.009 0.000 0.898 254 Q HN 0.437 nan 8.270 nan 0.000 0.430 255 A N 0.850 123.666 122.820 -0.007 0.000 1.969 255 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 255 A C 1.934 179.518 177.584 0.001 0.000 1.169 255 A CA 1.355 53.391 52.037 -0.002 0.000 0.635 255 A CB -0.277 18.721 19.000 -0.004 0.000 0.810 255 A HN 0.302 nan 8.150 nan 0.000 0.445 256 K N -0.760 119.638 120.400 -0.002 0.000 2.057 256 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 256 K C 2.042 178.641 176.600 -0.001 0.000 1.049 256 K CA 1.117 57.402 56.287 -0.002 0.000 0.931 256 K CB -0.417 32.081 32.500 -0.005 0.000 0.714 256 K HN 0.472 nan 8.250 nan 0.000 0.440 257 G N 0.944 109.743 108.800 -0.002 0.000 2.470 257 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 257 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 257 G C 0.982 175.882 174.900 0.001 0.000 1.121 257 G CA 0.568 45.667 45.100 -0.001 0.000 0.766 257 G HN 0.349 nan 8.290 nan 0.000 0.553 258 E N -0.788 119.413 120.200 0.003 0.000 2.479 258 E HA 0.309 4.659 4.350 -0.000 0.000 0.193 258 E C 1.595 178.200 176.600 0.007 0.000 1.049 258 E CA 0.234 56.637 56.400 0.005 0.000 0.870 258 E CB 0.304 30.008 29.700 0.006 0.000 0.944 258 E HN 0.370 nan 8.360 nan 0.000 0.492 259 G N 0.973 109.777 108.800 0.006 0.000 2.148 259 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.203 259 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.203 259 G C 0.225 175.132 174.900 0.011 0.000 0.993 259 G CA -0.070 45.034 45.100 0.007 0.000 0.661 259 G HN 0.115 nan 8.290 nan 0.000 0.518 260 V N 1.125 121.047 119.914 0.013 0.000 2.555 260 V HA 0.324 4.444 4.120 -0.000 0.000 0.286 260 V C 0.886 176.990 176.094 0.017 0.000 1.044 260 V CA -0.641 61.671 62.300 0.019 0.000 1.026 260 V CB 1.499 33.335 31.823 0.021 0.000 0.981 260 V HN 0.344 nan 8.190 nan 0.000 0.480 261 N N 4.631 123.345 118.700 0.023 0.000 2.549 261 N HA 0.219 4.959 4.740 -0.000 0.000 0.267 261 N C -0.737 174.790 175.510 0.027 0.000 1.182 261 N CA 0.118 53.180 53.050 0.019 0.000 1.019 261 N CB 0.223 38.724 38.487 0.023 0.000 1.380 261 N HN 0.537 nan 8.380 nan 0.000 0.505 262 V N 0.507 120.433 119.914 0.020 0.000 3.001 262 V HA 0.702 4.822 4.120 -0.000 0.000 0.314 262 V C 0.166 176.279 176.094 0.031 0.000 1.099 262 V CA -1.048 61.272 62.300 0.032 0.000 0.989 262 V CB 1.716 33.552 31.823 0.020 0.000 1.040 262 V HN 0.548 nan 8.190 nan 0.000 0.434 263 S N 0.832 116.578 115.700 0.077 0.000 2.667 263 S HA 0.916 5.386 4.470 -0.000 0.000 0.292 263 S C -1.091 173.603 174.600 0.157 0.000 1.126 263 S CA -0.783 57.488 58.200 0.118 0.000 0.881 263 S CB 2.098 65.371 63.200 0.121 0.000 1.132 263 S HN 1.498 nan 8.310 nan 0.000 0.492 264 V N 1.138 121.137 119.914 0.141 0.000 2.851 264 V HA 0.700 4.820 4.120 -0.000 0.000 0.307 264 V C -1.466 174.687 176.094 0.098 0.000 1.129 264 V CA -0.522 61.785 62.300 0.011 0.000 0.932 264 V CB 1.744 33.537 31.823 -0.051 0.000 1.024 264 V HN 1.213 nan 8.190 nan 0.000 0.426 265 E N 3.559 123.771 120.200 0.020 0.000 2.244 265 E HA 0.749 5.099 4.350 -0.000 0.000 0.266 265 E C -1.042 175.533 176.600 -0.041 0.000 0.914 265 E CA -0.637 55.809 56.400 0.076 0.000 0.794 265 E CB 2.469 32.309 29.700 0.233 0.000 1.210 265 E HN 0.590 nan 8.360 nan 0.000 0.414 266 T N 0.051 114.587 114.554 -0.030 0.000 2.883 266 T HA 0.571 4.921 4.350 -0.000 0.000 0.284 266 T C -1.180 173.534 174.700 0.023 0.000 1.041 266 T CA -0.404 61.663 62.100 -0.056 0.000 1.007 266 T CB 1.156 69.942 68.868 -0.137 0.000 1.220 266 T HN 0.701 nan 8.240 nan 0.000 0.552 267 C N 1.841 121.207 119.300 0.110 0.000 2.889 267 C HA 0.527 4.987 4.460 -0.000 0.000 0.307 267 C C -1.516 173.259 174.990 -0.359 0.000 1.251 267 C CA -1.148 57.804 59.018 -0.109 0.000 1.593 267 C CB 1.812 29.447 27.740 -0.175 0.000 2.104 267 C HN 0.680 nan 8.230 nan 0.000 0.476 268 P HA -0.091 nan 4.420 nan 0.000 0.219 268 P C 0.880 178.066 177.300 -0.190 0.000 1.150 268 P CA 1.450 64.436 63.100 -0.190 0.000 0.814 268 P CB -0.148 31.530 31.700 -0.036 0.000 0.787 269 H N -3.073 115.967 119.070 -0.050 0.000 2.457 269 H HA -0.105 4.451 4.556 -0.000 0.000 0.294 269 H C 1.285 176.467 175.328 -0.243 0.000 1.064 269 H CA 0.995 56.913 56.048 -0.217 0.000 1.330 269 H CB -1.720 27.942 29.762 -0.167 0.000 1.395 269 H HN 0.152 nan 8.280 nan 0.000 0.541 270 Y N 0.737 120.936 120.300 -0.168 0.000 2.293 270 Y HA 0.007 4.557 4.550 -0.000 0.000 0.291 270 Y C 2.130 177.922 175.900 -0.179 0.000 1.137 270 Y CA 0.628 58.657 58.100 -0.117 0.000 1.202 270 Y CB -0.089 38.270 38.460 -0.169 0.000 0.990 270 Y HN 0.214 nan 8.280 nan 0.000 0.537 271 L N -1.173 119.960 121.223 -0.150 0.000 2.509 271 L HA -0.006 4.334 4.340 -0.000 0.000 0.222 271 L C 1.787 178.701 176.870 0.075 0.000 1.123 271 L CA 0.475 55.118 54.840 -0.327 0.000 0.856 271 L CB 0.053 41.686 42.059 -0.711 0.000 0.985 271 L HN 0.318 nan 8.230 nan 0.000 0.456 272 L N -1.554 119.636 121.223 -0.054 0.000 2.670 272 L HA 0.220 4.560 4.340 -0.000 0.000 0.177 272 L C 0.056 176.862 176.870 -0.108 0.000 1.181 272 L CA 0.081 54.840 54.840 -0.134 0.000 0.856 272 L CB 0.360 42.109 42.059 -0.516 0.000 1.205 272 L HN -0.083 nan 8.230 nan 0.000 0.506 273 F N 1.084 121.086 119.950 0.086 0.000 2.445 273 F HA 0.173 4.700 4.527 -0.000 0.000 0.359 273 F C 1.061 176.903 175.800 0.069 0.000 1.101 273 F CA -0.809 57.211 58.000 0.033 0.000 1.177 273 F CB 0.846 39.794 39.000 -0.087 0.000 1.110 273 F HN 0.094 nan 8.300 nan 0.000 0.522 274 S N 3.004 118.871 115.700 0.278 0.000 2.623 274 S HA 0.270 4.740 4.470 -0.000 0.000 0.278 274 S C 0.844 175.604 174.600 0.265 0.000 1.148 274 S CA -0.665 57.674 58.200 0.232 0.000 1.028 274 S CB 0.634 63.943 63.200 0.182 0.000 1.145 274 S HN 0.594 nan 8.310 nan 0.000 0.523 275 L N 1.157 122.520 121.223 0.234 0.000 2.201 275 L HA 0.022 4.362 4.340 -0.000 0.000 0.212 275 L C 1.764 178.743 176.870 0.182 0.000 1.105 275 L CA 1.717 56.699 54.840 0.236 0.000 0.775 275 L CB -0.972 41.169 42.059 0.136 0.000 0.913 275 L HN 0.651 nan 8.230 nan 0.000 0.440 276 D N -0.712 119.775 120.400 0.145 0.000 2.183 276 D HA -0.151 4.489 4.640 -0.000 0.000 0.203 276 D C 1.649 178.014 176.300 0.110 0.000 0.969 276 D CA 0.945 55.008 54.000 0.105 0.000 0.842 276 D CB 0.183 41.036 40.800 0.087 0.000 0.957 276 D HN 0.406 nan 8.370 nan 0.000 0.484 277 E N -0.537 119.753 120.200 0.150 0.000 2.452 277 E HA 0.044 4.394 4.350 -0.000 0.000 0.197 277 E C 1.331 177.964 176.600 0.054 0.000 1.022 277 E CA -0.241 56.220 56.400 0.103 0.000 0.890 277 E CB -0.072 29.748 29.700 0.200 0.000 0.918 277 E HN 0.070 nan 8.360 nan 0.000 0.496 278 F N 1.466 121.402 119.950 -0.024 0.000 2.113 278 F HA -0.030 4.497 4.527 -0.000 0.000 0.297 278 F C 2.092 177.851 175.800 -0.068 0.000 1.103 278 F CA 1.184 59.149 58.000 -0.058 0.000 1.248 278 F CB -0.612 38.392 39.000 0.008 0.000 0.999 278 F HN 0.060 nan 8.300 nan 0.000 0.475 279 A N -0.848 122.081 122.820 0.182 0.000 2.014 279 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 279 A C 2.195 179.794 177.584 0.024 0.000 1.163 279 A CA 1.482 53.551 52.037 0.053 0.000 0.652 279 A CB -0.714 18.293 19.000 0.010 0.000 0.808 279 A HN 0.493 nan 8.150 nan 0.000 0.449 280 E N -0.389 119.822 120.200 0.018 0.000 2.033 280 E HA -0.059 4.291 4.350 -0.000 0.000 0.189 280 E C 1.760 178.321 176.600 -0.064 0.000 0.979 280 E CA 0.998 57.384 56.400 -0.025 0.000 0.802 280 E CB -0.107 29.580 29.700 -0.022 0.000 0.763 280 E HN 0.642 nan 8.360 nan 0.000 0.449 281 I N -0.349 120.156 120.570 -0.109 0.000 2.333 281 I HA 0.023 4.192 4.170 -0.000 0.000 0.246 281 I C 1.575 177.632 176.117 -0.100 0.000 1.106 281 I CA 0.783 61.978 61.300 -0.174 0.000 1.411 281 I CB -0.053 37.719 38.000 -0.380 0.000 1.082 281 I HN 0.393 nan 8.210 nan 0.000 0.420 282 G N 0.010 108.812 108.800 0.003 0.000 2.603 282 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.245 282 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.245 282 G C 0.476 175.512 174.900 0.227 0.000 1.195 282 G CA 0.199 45.362 45.100 0.105 0.000 0.953 282 G HN 0.015 nan 8.290 nan 0.000 0.566 283 Y N 1.266 121.523 120.300 -0.073 0.000 2.352 283 Y HA 0.228 4.778 4.550 -0.000 0.000 0.292 283 Y C 2.955 178.773 175.900 -0.136 0.000 1.136 283 Y CA 1.401 59.443 58.100 -0.097 0.000 1.227 283 Y CB -0.565 37.831 38.460 -0.107 0.000 0.991 283 Y HN 0.341 nan 8.280 nan 0.000 0.545 284 L N -1.205 120.015 121.223 -0.006 0.000 2.478 284 L HA -0.012 4.328 4.340 -0.000 0.000 0.223 284 L C 1.996 178.708 176.870 -0.263 0.000 1.140 284 L CA 0.764 55.527 54.840 -0.128 0.000 0.842 284 L CB -0.369 41.608 42.059 -0.137 0.000 0.953 284 L HN 0.076 nan 8.230 nan 0.000 0.452 285 A N -0.457 122.173 122.820 -0.317 0.000 2.379 285 A HA 0.057 4.377 4.320 -0.000 0.000 0.236 285 A C 0.789 177.873 177.584 -0.834 0.000 1.272 285 A CA -0.189 51.482 52.037 -0.610 0.000 0.886 285 A CB -0.147 18.427 19.000 -0.710 0.000 0.962 285 A HN 0.148 nan 8.150 nan 0.000 0.504 286 K N 1.050 121.210 120.400 -0.400 0.000 2.276 286 K HA 0.439 4.759 4.320 -0.000 0.000 0.285 286 K C -0.634 175.821 176.600 -0.242 0.000 1.062 286 K CA -0.272 55.880 56.287 -0.225 0.000 0.918 286 K CB 0.308 32.691 32.500 -0.195 0.000 1.055 286 K HN 0.551 nan 8.250 nan 0.000 0.477 287 C N 0.938 120.153 119.300 -0.141 0.000 3.171 287 C HA 0.896 5.356 4.460 -0.000 0.000 0.308 287 C C -0.725 174.268 174.990 0.005 0.000 1.334 287 C CA -1.215 57.706 59.018 -0.162 0.000 1.473 287 C CB 0.825 28.361 27.740 -0.340 0.000 1.866 287 C HN 0.810 nan 8.230 nan 0.000 0.465 288 A N 1.877 124.658 122.820 -0.065 0.000 2.323 288 A HA 0.831 5.151 4.320 -0.000 0.000 0.305 288 A C -2.917 174.562 177.584 -0.176 0.000 1.275 288 A CA -1.168 50.861 52.037 -0.015 0.000 0.804 288 A CB 0.136 19.142 19.000 0.011 0.000 1.152 288 A HN 0.739 nan 8.150 nan 0.000 0.487 289 P HA 0.311 nan 4.420 nan 0.000 0.272 289 P C -2.615 174.787 177.300 0.171 0.000 1.223 289 P CA -0.950 62.160 63.100 0.016 0.000 0.784 289 P CB 0.063 31.734 31.700 -0.050 0.000 0.923 290 P HA 0.113 nan 4.420 nan 0.000 0.272 290 P C -0.404 177.100 177.300 0.341 0.000 1.230 290 P CA -0.112 63.145 63.100 0.261 0.000 0.788 290 P CB 0.310 32.077 31.700 0.110 0.000 0.949 291 L N 1.933 123.353 121.223 0.328 0.000 2.485 291 L HA 0.137 4.477 4.340 -0.000 0.000 0.275 291 L C 1.331 178.404 176.870 0.338 0.000 1.207 291 L CA 0.114 55.143 54.840 0.315 0.000 0.855 291 L CB -0.205 41.938 42.059 0.139 0.000 1.114 291 L HN 0.300 nan 8.230 nan 0.000 0.485 292 R N 1.632 122.282 120.500 0.250 0.000 2.810 292 R HA 0.330 4.670 4.340 -0.000 0.000 0.245 292 R C -0.222 176.176 176.300 0.163 0.000 1.168 292 R CA -0.958 55.243 56.100 0.169 0.000 1.096 292 R CB 0.559 30.919 30.300 0.100 0.000 1.259 292 R HN 0.716 nan 8.270 nan 0.000 0.518 293 E N 0.436 120.705 120.200 0.115 0.000 2.447 293 E HA -0.093 4.257 4.350 -0.000 0.000 0.259 293 E C 0.716 177.381 176.600 0.109 0.000 1.196 293 E CA -0.359 56.102 56.400 0.103 0.000 0.995 293 E CB 0.564 30.306 29.700 0.069 0.000 0.974 293 E HN 0.339 nan 8.360 nan 0.000 0.465 294 R N 0.513 121.075 120.500 0.103 0.000 2.105 294 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 294 R C 2.031 178.390 176.300 0.099 0.000 1.135 294 R CA 1.806 57.970 56.100 0.107 0.000 0.967 294 R CB -0.507 29.847 30.300 0.091 0.000 0.861 294 R HN 0.625 nan 8.270 nan 0.000 0.442 295 Q N 0.241 120.087 119.800 0.077 0.000 2.167 295 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 295 Q C 1.630 177.674 176.000 0.073 0.000 0.970 295 Q CA 1.604 57.447 55.803 0.068 0.000 0.855 295 Q CB -0.058 28.709 28.738 0.049 0.000 0.911 295 Q HN 0.350 nan 8.270 nan 0.000 0.438 296 E N -0.897 119.346 120.200 0.072 0.000 2.285 296 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 296 E C 1.811 178.454 176.600 0.073 0.000 0.997 296 E CA 0.316 56.752 56.400 0.060 0.000 0.845 296 E CB 0.205 29.935 29.700 0.050 0.000 0.782 296 E HN 0.079 nan 8.360 nan 0.000 0.491 297 V N 0.146 120.128 119.914 0.113 0.000 2.346 297 V HA -0.149 3.971 4.120 -0.000 0.000 0.244 297 V C 2.116 178.357 176.094 0.245 0.000 1.037 297 V CA 1.719 64.108 62.300 0.148 0.000 1.029 297 V CB -0.344 31.594 31.823 0.192 0.000 0.663 297 V HN 0.197 nan 8.190 nan 0.000 0.454 298 E N 0.428 120.774 120.200 0.242 0.000 2.153 298 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 298 E C 1.717 178.440 176.600 0.204 0.000 0.988 298 E CA 1.337 57.888 56.400 0.251 0.000 0.811 298 E CB -0.206 29.578 29.700 0.140 0.000 0.746 298 E HN 0.574 nan 8.360 nan 0.000 0.466 299 D N -0.729 119.748 120.400 0.130 0.000 2.149 299 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 299 D C 1.725 178.067 176.300 0.069 0.000 0.972 299 D CA 0.494 54.545 54.000 0.085 0.000 0.835 299 D CB -0.159 40.669 40.800 0.047 0.000 0.966 299 D HN 0.181 nan 8.370 nan 0.000 0.476 300 L N -0.822 120.421 121.223 0.034 0.000 2.156 300 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 300 L C 1.778 178.614 176.870 -0.056 0.000 1.095 300 L CA 1.296 56.103 54.840 -0.056 0.000 0.770 300 L CB -0.409 41.564 42.059 -0.143 0.000 0.914 300 L HN 0.091 nan 8.230 nan 0.000 0.439 301 W N 0.108 121.416 121.300 0.013 0.000 2.358 301 W HA -0.205 4.455 4.660 -0.000 0.000 0.303 301 W C 2.179 178.706 176.519 0.012 0.000 1.208 301 W CA 1.064 58.418 57.345 0.015 0.000 1.274 301 W CB -0.204 29.266 29.460 0.018 0.000 1.138 301 W HN 0.162 nan 8.180 nan 0.000 0.515 302 D N -1.093 119.454 120.400 0.244 0.000 2.263 302 D HA -0.099 4.541 4.640 -0.000 0.000 0.208 302 D C 2.248 178.604 176.300 0.093 0.000 0.971 302 D CA 1.614 55.700 54.000 0.142 0.000 0.867 302 D CB -0.792 40.068 40.800 0.100 0.000 0.929 302 D HN 0.260 nan 8.370 nan 0.000 0.492 303 G N 0.063 108.903 108.800 0.068 0.000 2.656 303 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.211 303 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.211 303 G C 1.549 176.463 174.900 0.023 0.000 1.137 303 G CA -0.073 45.044 45.100 0.029 0.000 0.802 303 G HN 0.260 nan 8.290 nan 0.000 0.527 304 L N -0.104 121.136 121.223 0.027 0.000 2.027 304 L HA 0.149 4.489 4.340 -0.000 0.000 0.206 304 L C 2.688 179.603 176.870 0.074 0.000 1.074 304 L CA 1.649 56.501 54.840 0.021 0.000 0.745 304 L CB -0.110 41.933 42.059 -0.026 0.000 0.898 304 L HN 0.214 nan 8.230 nan 0.000 0.433 305 M N -0.433 119.242 119.600 0.126 0.000 2.279 305 M HA -0.098 4.382 4.480 -0.000 0.000 0.264 305 M C 2.052 178.396 176.300 0.074 0.000 1.062 305 M CA 1.714 57.085 55.300 0.118 0.000 1.099 305 M CB -0.270 32.413 32.600 0.138 0.000 1.394 305 M HN 0.399 nan 8.290 nan 0.000 0.426 306 A N -1.100 121.756 122.820 0.060 0.000 2.066 306 A HA 0.316 4.636 4.320 -0.000 0.000 0.218 306 A C 1.784 179.385 177.584 0.028 0.000 1.157 306 A CA 1.011 53.072 52.037 0.039 0.000 0.670 306 A CB -0.999 18.019 19.000 0.032 0.000 0.804 306 A HN 0.772 nan 8.150 nan 0.000 0.453 307 G N -1.035 107.781 108.800 0.027 0.000 2.131 307 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.223 307 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.223 307 G C 0.453 175.357 174.900 0.006 0.000 0.990 307 G CA 0.652 45.763 45.100 0.018 0.000 0.671 307 G HN 0.550 nan 8.290 nan 0.000 0.521 308 E N -0.442 119.759 120.200 0.002 0.000 2.204 308 E HA 0.068 4.418 4.350 -0.000 0.000 0.194 308 E C 1.292 177.884 176.600 -0.014 0.000 0.989 308 E CA 0.704 57.099 56.400 -0.008 0.000 0.824 308 E CB 0.079 29.771 29.700 -0.014 0.000 0.756 308 E HN 0.749 nan 8.360 nan 0.000 0.477 309 I N 1.333 121.894 120.570 -0.015 0.000 2.365 309 I HA 0.050 4.220 4.170 -0.000 0.000 0.291 309 I C 0.299 176.419 176.117 0.004 0.000 1.004 309 I CA -0.411 60.881 61.300 -0.014 0.000 1.311 309 I CB 1.317 39.298 38.000 -0.033 0.000 1.401 309 I HN -0.163 nan 8.210 nan 0.000 0.491 310 D N 4.936 125.348 120.400 0.020 0.000 2.123 310 D HA 0.074 4.714 4.640 -0.000 0.000 0.200 310 D C 0.021 176.334 176.300 0.023 0.000 0.976 310 D CA 1.508 55.519 54.000 0.019 0.000 0.831 310 D CB 0.154 40.971 40.800 0.027 0.000 0.974 310 D HN 0.503 nan 8.370 nan 0.000 0.469 311 L N -2.364 118.888 121.223 0.048 0.000 2.720 311 L HA 0.557 4.897 4.340 -0.000 0.000 0.261 311 L C -1.231 175.672 176.870 0.055 0.000 1.046 311 L CA -1.441 53.427 54.840 0.047 0.000 0.886 311 L CB 1.730 43.816 42.059 0.045 0.000 1.493 311 L HN -0.083 nan 8.230 nan 0.000 0.407 312 I N -0.563 120.030 120.570 0.039 0.000 2.785 312 I HA 0.989 5.159 4.170 -0.000 0.000 0.302 312 I C -0.464 175.683 176.117 0.049 0.000 1.069 312 I CA -0.160 61.161 61.300 0.035 0.000 1.045 312 I CB 2.352 40.346 38.000 -0.011 0.000 1.236 312 I HN 0.957 nan 8.210 nan 0.000 0.429 313 S N 2.364 118.110 115.700 0.076 0.000 2.851 313 S HA 0.469 4.939 4.470 -0.000 0.000 0.313 313 S C 0.458 175.119 174.600 0.101 0.000 1.163 313 S CA -0.008 58.248 58.200 0.095 0.000 0.850 313 S CB 1.083 64.375 63.200 0.154 0.000 1.245 313 S HN 0.839 nan 8.310 nan 0.000 0.558 314 S N -0.411 115.379 115.700 0.151 0.000 2.456 314 S HA 0.134 4.604 4.470 -0.000 0.000 0.224 314 S C 0.399 175.171 174.600 0.286 0.000 1.035 314 S CA 0.937 59.257 58.200 0.199 0.000 0.940 314 S CB -0.780 62.563 63.200 0.239 0.000 0.799 314 S HN 0.923 nan 8.310 nan 0.000 0.508 315 D N 1.393 121.924 120.400 0.219 0.000 2.699 315 D HA -0.228 4.412 4.640 -0.000 0.000 0.239 315 D C -0.356 176.115 176.300 0.285 0.000 1.136 315 D CA 0.493 54.579 54.000 0.143 0.000 0.668 315 D CB -2.367 38.522 40.800 0.148 0.000 1.060 315 D HN 0.790 nan 8.370 nan 0.000 0.429 316 H N 0.354 119.575 119.070 0.252 0.000 3.362 316 H HA 0.349 4.905 4.556 -0.000 0.000 0.248 316 H C -0.249 175.270 175.328 0.318 0.000 1.276 316 H CA 0.932 57.117 56.048 0.229 0.000 1.520 316 H CB 0.128 30.019 29.762 0.215 0.000 1.624 316 H HN 0.010 nan 8.280 nan 0.000 0.502 317 S N 7.431 123.135 115.700 0.007 0.000 2.269 317 S HA 0.308 4.778 4.470 -0.000 0.000 0.194 317 S C -2.795 171.795 174.600 -0.016 0.000 1.547 317 S CA -1.461 56.793 58.200 0.090 0.000 1.186 317 S CB 0.050 63.291 63.200 0.068 0.000 1.069 317 S HN 0.581 nan 8.310 nan 0.000 0.473 318 P HA 0.573 nan 4.420 nan 0.000 0.280 318 P C -0.678 176.484 177.300 -0.229 0.000 1.272 318 P CA -0.407 62.601 63.100 -0.154 0.000 0.819 318 P CB 1.492 33.102 31.700 -0.149 0.000 1.122 319 S N -1.073 114.316 115.700 -0.517 0.000 2.819 319 S HA 0.544 5.014 4.470 -0.000 0.000 0.299 319 S C -0.268 173.713 174.600 -1.031 0.000 1.192 319 S CA -0.977 56.449 58.200 -1.292 0.000 0.847 319 S CB -0.004 62.295 63.200 -1.502 0.000 1.224 319 S HN 0.243 nan 8.310 nan 0.000 0.537 320 L N 1.666 122.153 121.223 -1.226 0.000 2.461 320 L HA 0.256 4.596 4.340 -0.000 0.000 0.272 320 L C -1.620 174.859 176.870 -0.652 0.000 1.197 320 L CA -1.568 52.759 54.840 -0.855 0.000 0.836 320 L CB 0.055 41.784 42.059 -0.551 0.000 1.105 320 L HN 0.512 nan 8.230 nan 0.000 0.477 321 P HA -0.202 nan 4.420 nan 0.000 0.218 321 P C 1.200 178.366 177.300 -0.223 0.000 1.148 321 P CA 1.091 63.987 63.100 -0.340 0.000 0.822 321 P CB 0.071 31.621 31.700 -0.250 0.000 0.784 322 Q N -1.035 118.637 119.800 -0.213 0.000 2.291 322 Q HA -0.081 4.259 4.340 -0.000 0.000 0.206 322 Q C 1.840 177.759 176.000 -0.136 0.000 0.976 322 Q CA 1.201 56.920 55.803 -0.139 0.000 0.875 322 Q CB -0.910 27.760 28.738 -0.113 0.000 0.927 322 Q HN 0.258 nan 8.270 nan 0.000 0.450 323 M N -0.027 119.442 119.600 -0.218 0.000 2.619 323 M HA 0.031 4.511 4.480 -0.000 0.000 0.251 323 M C 0.791 177.028 176.300 -0.105 0.000 1.106 323 M CA 0.732 55.914 55.300 -0.196 0.000 1.086 323 M CB 0.360 32.719 32.600 -0.402 0.000 1.465 323 M HN -0.053 nan 8.290 nan 0.000 0.506 324 K N 0.315 120.655 120.400 -0.100 0.000 2.493 324 K HA 0.143 4.463 4.320 -0.000 0.000 0.207 324 K C -0.631 176.030 176.600 0.101 0.000 1.033 324 K CA 0.242 56.516 56.287 -0.022 0.000 1.161 324 K CB 0.298 32.767 32.500 -0.051 0.000 0.873 324 K HN -0.027 nan 8.250 nan 0.000 0.491 325 T N -0.389 114.208 114.554 0.072 0.000 2.807 325 T HA 0.757 5.107 4.350 -0.000 0.000 0.279 325 T C -0.246 174.542 174.700 0.146 0.000 0.993 325 T CA -0.840 61.343 62.100 0.138 0.000 0.970 325 T CB 1.830 70.721 68.868 0.038 0.000 0.950 325 T HN 0.240 nan 8.240 nan 0.000 0.441 326 G N 1.150 110.134 108.800 0.306 0.000 2.673 326 G HA2 0.441 4.401 3.960 -0.000 0.000 0.292 326 G HA3 0.441 4.401 3.960 -0.000 0.000 0.292 326 G C -0.081 174.960 174.900 0.235 0.000 1.450 326 G CA -0.848 44.357 45.100 0.175 0.000 0.837 326 G HN 0.546 nan 8.290 nan 0.000 0.505 327 K N -0.728 119.741 120.400 0.114 0.000 2.186 327 K HA 0.144 4.464 4.320 -0.000 0.000 0.202 327 K C 1.186 177.850 176.600 0.106 0.000 1.052 327 K CA 1.103 57.449 56.287 0.097 0.000 0.965 327 K CB 0.321 32.854 32.500 0.056 0.000 0.746 327 K HN 0.472 nan 8.250 nan 0.000 0.457 328 T N -1.136 113.457 114.554 0.065 0.000 2.907 328 T HA 0.223 4.573 4.350 -0.000 0.000 0.292 328 T C 0.667 175.259 174.700 -0.179 0.000 1.043 328 T CA -0.835 61.278 62.100 0.022 0.000 1.003 328 T CB 1.396 70.329 68.868 0.110 0.000 1.084 328 T HN 0.003 nan 8.240 nan 0.000 0.483 329 I N 2.528 122.889 120.570 -0.349 0.000 2.423 329 I HA 0.039 4.209 4.170 -0.000 0.000 0.254 329 I C 1.209 176.871 176.117 -0.759 0.000 1.151 329 I CA 1.697 62.562 61.300 -0.726 0.000 1.421 329 I CB -0.380 37.122 38.000 -0.830 0.000 1.079 329 I HN 0.734 nan 8.210 nan 0.000 0.431 330 F N 0.196 120.000 119.950 -0.244 0.000 2.456 330 F HA 0.005 4.532 4.527 -0.000 0.000 0.298 330 F C 2.442 178.150 175.800 -0.152 0.000 1.104 330 F CA 1.041 58.944 58.000 -0.161 0.000 1.435 330 F CB -0.652 38.317 39.000 -0.051 0.000 1.078 330 F HN 0.142 nan 8.300 nan 0.000 0.546 331 E N 0.520 120.716 120.200 -0.008 0.000 2.152 331 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 331 E C 0.402 176.960 176.600 -0.069 0.000 0.983 331 E CA 0.201 56.591 56.400 -0.016 0.000 0.818 331 E CB 0.251 29.948 29.700 -0.004 0.000 0.758 331 E HN 0.061 nan 8.360 nan 0.000 0.467 332 V N 1.276 121.068 119.914 -0.204 0.000 2.811 332 V HA -0.061 4.059 4.120 -0.000 0.000 0.302 332 V C -0.109 175.912 176.094 -0.121 0.000 1.063 332 V CA -0.066 62.106 62.300 -0.213 0.000 1.088 332 V CB 0.418 31.946 31.823 -0.492 0.000 0.982 332 V HN 0.234 nan 8.190 nan 0.000 0.485 333 W N 3.104 124.288 121.300 -0.193 0.000 2.356 333 W HA 0.554 5.214 4.660 -0.000 0.000 0.311 333 W C 0.708 177.108 176.519 -0.198 0.000 1.328 333 W CA 0.079 57.324 57.345 -0.166 0.000 1.251 333 W CB 0.738 30.094 29.460 -0.173 0.000 1.280 333 W HN 0.776 nan 8.180 nan 0.000 0.524 334 G N 2.968 111.531 108.800 -0.396 0.000 2.356 334 G HA2 0.666 4.626 3.960 -0.000 0.000 0.322 334 G HA3 0.666 4.626 3.960 -0.000 0.000 0.322 334 G C -0.581 174.144 174.900 -0.291 0.000 1.125 334 G CA -0.112 44.802 45.100 -0.310 0.000 0.885 334 G HN 0.941 nan 8.290 nan 0.000 0.467 335 G N 0.007 108.707 108.800 -0.165 0.000 2.368 335 G HA2 0.352 4.312 3.960 -0.000 0.000 0.301 335 G HA3 0.352 4.312 3.960 -0.000 0.000 0.301 335 G C -1.382 173.408 174.900 -0.182 0.000 1.640 335 G CA -0.925 44.095 45.100 -0.133 0.000 0.941 335 G HN 0.688 nan 8.290 nan 0.000 0.695 336 I N 1.411 121.827 120.570 -0.256 0.000 2.378 336 I HA 0.541 4.711 4.170 -0.000 0.000 0.291 336 I C 0.766 176.766 176.117 -0.195 0.000 0.992 336 I CA -0.913 60.219 61.300 -0.280 0.000 1.154 336 I CB 1.967 39.654 38.000 -0.522 0.000 1.315 336 I HN 0.746 nan 8.210 nan 0.000 0.448 337 A N 5.116 127.824 122.820 -0.187 0.000 2.527 337 A HA 0.628 4.948 4.320 -0.000 0.000 0.313 337 A C 0.585 178.209 177.584 0.067 0.000 1.410 337 A CA -0.140 51.715 52.037 -0.303 0.000 1.060 337 A CB -0.459 18.331 19.000 -0.350 0.000 1.137 337 A HN 0.958 nan 8.150 nan 0.000 0.542 338 G N 0.666 109.666 108.800 0.333 0.000 4.775 338 G HA2 0.270 4.229 3.960 -0.000 0.000 0.222 338 G HA3 0.270 4.229 3.960 -0.000 0.000 0.222 338 G C 0.337 175.486 174.900 0.415 0.000 0.974 338 G CA 0.507 45.939 45.100 0.553 0.000 0.614 338 G HN 1.255 nan 8.290 nan 0.000 0.427 339 C N -1.532 118.041 119.300 0.455 0.000 2.926 339 C HA 0.318 4.778 4.460 -0.000 0.000 0.272 339 C C 1.756 176.821 174.990 0.125 0.000 1.249 339 C CA 0.239 59.385 59.018 0.213 0.000 1.691 339 C CB -0.189 27.585 27.740 0.056 0.000 1.983 339 C HN 0.504 nan 8.230 nan 0.000 0.615 340 Q N 1.326 121.248 119.800 0.204 0.000 2.424 340 Q HA 0.135 4.475 4.340 -0.000 0.000 0.204 340 Q C 0.643 176.586 176.000 -0.094 0.000 0.933 340 Q CA 0.918 56.731 55.803 0.017 0.000 0.929 340 Q CB -0.020 28.687 28.738 -0.052 0.000 1.037 340 Q HN 0.855 nan 8.270 nan 0.000 0.511 341 N N -1.233 117.377 118.700 -0.150 0.000 2.351 341 N HA 0.105 4.845 4.740 -0.000 0.000 0.254 341 N C 0.168 175.404 175.510 -0.457 0.000 1.241 341 N CA -0.052 52.748 53.050 -0.417 0.000 0.883 341 N CB 1.042 39.194 38.487 -0.558 0.000 1.202 341 N HN -0.017 nan 8.380 nan 0.000 0.512 342 T N 0.811 115.212 114.554 -0.254 0.000 2.698 342 T HA -0.100 4.250 4.350 -0.000 0.000 0.260 342 T C 1.821 176.416 174.700 -0.175 0.000 1.044 342 T CA 0.815 62.807 62.100 -0.180 0.000 1.149 342 T CB -0.109 68.712 68.868 -0.078 0.000 0.864 342 T HN 0.217 nan 8.240 nan 0.000 0.419 343 L N 1.469 122.585 121.223 -0.178 0.000 2.201 343 L HA 0.217 4.557 4.340 -0.000 0.000 0.212 343 L C 2.409 179.158 176.870 -0.202 0.000 1.105 343 L CA 1.635 56.364 54.840 -0.185 0.000 0.775 343 L CB -0.776 41.148 42.059 -0.225 0.000 0.913 343 L HN 0.183 nan 8.230 nan 0.000 0.440 344 A N -0.986 121.658 122.820 -0.293 0.000 2.067 344 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 344 A C 2.342 179.679 177.584 -0.412 0.000 1.158 344 A CA 1.577 53.367 52.037 -0.411 0.000 0.661 344 A CB -0.853 17.715 19.000 -0.720 0.000 0.801 344 A HN 0.388 nan 8.150 nan 0.000 0.452 345 V N -1.102 118.640 119.914 -0.287 0.000 2.685 345 V HA -0.041 4.079 4.120 -0.000 0.000 0.244 345 V C 2.029 178.190 176.094 0.112 0.000 1.054 345 V CA 1.318 63.616 62.300 -0.002 0.000 1.076 345 V CB -0.226 31.627 31.823 0.048 0.000 0.725 345 V HN 0.436 nan 8.190 nan 0.000 0.467 346 M N -0.318 119.316 119.600 0.056 0.000 2.374 346 M HA 0.018 4.498 4.480 -0.000 0.000 0.264 346 M C 1.919 178.317 176.300 0.163 0.000 1.067 346 M CA 1.575 56.955 55.300 0.134 0.000 1.103 346 M CB -0.924 31.708 32.600 0.054 0.000 1.402 346 M HN 0.315 nan 8.290 nan 0.000 0.444 347 L N -1.410 119.888 121.223 0.125 0.000 2.354 347 L HA -0.049 4.291 4.340 -0.000 0.000 0.212 347 L C 2.065 179.147 176.870 0.354 0.000 1.091 347 L CA 0.662 55.635 54.840 0.221 0.000 0.828 347 L CB -0.418 41.729 42.059 0.148 0.000 0.973 347 L HN 0.245 nan 8.230 nan 0.000 0.461 348 T N -1.273 113.441 114.554 0.267 0.000 2.739 348 T HA -0.066 4.284 4.350 -0.000 0.000 0.249 348 T C 1.708 176.503 174.700 0.158 0.000 1.050 348 T CA 0.580 62.829 62.100 0.248 0.000 1.165 348 T CB -0.020 68.988 68.868 0.233 0.000 0.872 348 T HN 0.120 nan 8.240 nan 0.000 0.411 349 E N 0.859 121.152 120.200 0.155 0.000 2.072 349 E HA -0.028 4.322 4.350 -0.000 0.000 0.191 349 E C 2.363 178.866 176.600 -0.163 0.000 0.985 349 E CA 1.150 57.575 56.400 0.042 0.000 0.801 349 E CB -0.568 29.296 29.700 0.273 0.000 0.750 349 E HN 0.518 nan 8.360 nan 0.000 0.452 350 G N -0.059 108.812 108.800 0.118 0.000 2.551 350 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.214 350 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.214 350 G C 1.562 176.498 174.900 0.059 0.000 1.250 350 G CA 0.681 45.852 45.100 0.119 0.000 0.825 350 G HN 0.331 nan 8.290 nan 0.000 0.549 351 Y N 0.459 120.760 120.300 0.001 0.000 2.153 351 Y HA -0.008 4.542 4.550 -0.000 0.000 0.289 351 Y C 2.882 178.699 175.900 -0.138 0.000 1.127 351 Y CA 2.207 60.257 58.100 -0.083 0.000 1.131 351 Y CB -0.092 38.290 38.460 -0.129 0.000 0.995 351 Y HN 0.353 nan 8.280 nan 0.000 0.505 352 H N -0.455 118.473 119.070 -0.236 0.000 2.436 352 H HA -0.014 4.542 4.556 -0.000 0.000 0.294 352 H C 2.118 177.302 175.328 -0.241 0.000 1.048 352 H CA 1.586 57.432 56.048 -0.338 0.000 1.353 352 H CB 0.184 29.874 29.762 -0.121 0.000 1.414 352 H HN 0.233 nan 8.280 nan 0.000 0.536 353 K N 0.671 121.025 120.400 -0.076 0.000 2.108 353 K HA 0.060 4.380 4.320 -0.000 0.000 0.204 353 K C 1.462 177.950 176.600 -0.187 0.000 1.036 353 K CA 0.488 56.699 56.287 -0.126 0.000 0.965 353 K CB 0.332 32.751 32.500 -0.135 0.000 0.804 353 K HN 0.083 nan 8.250 nan 0.000 0.454 354 R N 0.509 120.856 120.500 -0.255 0.000 2.334 354 R HA 0.106 4.446 4.340 -0.000 0.000 0.216 354 R C -0.369 175.829 176.300 -0.170 0.000 0.905 354 R CA 0.043 55.980 56.100 -0.270 0.000 1.064 354 R CB 0.354 30.364 30.300 -0.483 0.000 1.046 354 R HN 0.085 nan 8.270 nan 0.000 0.508 355 K N 0.696 120.998 120.400 -0.162 0.000 3.125 355 K HA -0.183 4.137 4.320 -0.000 0.000 0.268 355 K C -0.400 176.197 176.600 -0.005 0.000 1.078 355 K CA 0.563 56.777 56.287 -0.121 0.000 0.775 355 K CB -1.116 31.320 32.500 -0.106 0.000 1.253 355 K HN 0.299 nan 8.250 nan 0.000 0.486 356 M N 1.050 120.682 119.600 0.052 0.000 2.200 356 M HA 0.198 4.678 4.480 -0.000 0.000 0.355 356 M C -1.973 174.449 176.300 0.203 0.000 1.283 356 M CA -1.513 53.867 55.300 0.134 0.000 1.124 356 M CB 0.655 33.365 32.600 0.184 0.000 1.625 356 M HN -0.157 nan 8.290 nan 0.000 0.463 357 P HA -0.024 nan 4.420 nan 0.000 0.267 357 P C 0.168 177.523 177.300 0.091 0.000 1.200 357 P CA -0.229 62.948 63.100 0.128 0.000 0.772 357 P CB 0.494 32.243 31.700 0.082 0.000 0.855 358 L N 2.381 123.604 121.223 0.001 0.000 2.362 358 L HA -0.082 4.258 4.340 -0.000 0.000 0.219 358 L C 2.105 178.992 176.870 0.028 0.000 1.134 358 L CA 1.951 56.754 54.840 -0.062 0.000 0.807 358 L CB -1.124 40.787 42.059 -0.246 0.000 0.927 358 L HN 0.383 nan 8.230 nan 0.000 0.447 359 T N -2.055 112.510 114.554 0.018 0.000 2.894 359 T HA -0.135 4.215 4.350 -0.000 0.000 0.258 359 T C 1.779 176.513 174.700 0.056 0.000 1.043 359 T CA 0.880 62.989 62.100 0.015 0.000 1.141 359 T CB 0.157 69.032 68.868 0.013 0.000 0.873 359 T HN 0.359 nan 8.240 nan 0.000 0.449 360 Q N 0.445 120.286 119.800 0.068 0.000 2.170 360 Q HA -0.083 4.257 4.340 -0.000 0.000 0.203 360 Q C 2.293 178.347 176.000 0.089 0.000 0.976 360 Q CA 1.398 57.246 55.803 0.075 0.000 0.858 360 Q CB -0.219 28.568 28.738 0.081 0.000 0.907 360 Q HN 0.731 nan 8.270 nan 0.000 0.433 361 I N -1.951 118.688 120.570 0.115 0.000 2.761 361 I HA -0.122 4.048 4.170 -0.000 0.000 0.261 361 I C 1.518 177.717 176.117 0.136 0.000 1.198 361 I CA 0.552 61.922 61.300 0.117 0.000 1.482 361 I CB 0.147 38.215 38.000 0.114 0.000 1.100 361 I HN -0.063 nan 8.210 nan 0.000 0.445 362 V N 0.944 120.965 119.914 0.177 0.000 2.379 362 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 362 V C 2.600 178.762 176.094 0.114 0.000 1.044 362 V CA 2.086 64.495 62.300 0.181 0.000 1.036 362 V CB -1.019 30.897 31.823 0.154 0.000 0.664 362 V HN 0.549 nan 8.190 nan 0.000 0.453 363 Q N -0.181 119.671 119.800 0.088 0.000 2.050 363 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 363 Q C 2.262 178.293 176.000 0.051 0.000 0.980 363 Q CA 1.739 57.580 55.803 0.063 0.000 0.840 363 Q CB -0.081 28.685 28.738 0.048 0.000 0.898 363 Q HN 0.586 nan 8.270 nan 0.000 0.424 364 L N -0.177 121.077 121.223 0.050 0.000 2.179 364 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 364 L C 1.730 178.619 176.870 0.032 0.000 1.096 364 L CA 0.394 55.256 54.840 0.036 0.000 0.779 364 L CB 0.013 42.092 42.059 0.034 0.000 0.922 364 L HN 0.236 nan 8.230 nan 0.000 0.443 365 L N -2.218 119.028 121.223 0.038 0.000 2.585 365 L HA 0.106 4.446 4.340 -0.000 0.000 0.226 365 L C 1.896 178.780 176.870 0.023 0.000 1.113 365 L CA 0.780 55.634 54.840 0.023 0.000 0.876 365 L CB 0.519 42.585 42.059 0.011 0.000 1.072 365 L HN 0.085 nan 8.230 nan 0.000 0.468 366 S N -2.715 113.012 115.700 0.045 0.000 3.330 366 S HA 0.003 4.473 4.470 -0.000 0.000 0.259 366 S C 1.601 176.246 174.600 0.075 0.000 1.095 366 S CA 0.661 58.895 58.200 0.056 0.000 0.841 366 S CB -0.118 63.136 63.200 0.089 0.000 0.890 366 S HN 0.237 nan 8.310 nan 0.000 0.446 367 T N 1.905 116.514 114.554 0.091 0.000 2.852 367 T HA 0.168 4.518 4.350 -0.000 0.000 0.256 367 T C 1.614 176.366 174.700 0.088 0.000 1.038 367 T CA 0.747 62.923 62.100 0.126 0.000 1.141 367 T CB -0.293 68.659 68.868 0.139 0.000 0.869 367 T HN 0.184 nan 8.240 nan 0.000 0.439 368 E N 1.011 121.233 120.200 0.037 0.000 2.106 368 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 368 E C -0.585 176.021 176.600 0.009 0.000 0.984 368 E CA 1.034 57.431 56.400 -0.004 0.000 0.806 368 E CB -1.291 28.398 29.700 -0.018 0.000 0.750 368 E HN 0.335 nan 8.360 nan 0.000 0.458 369 P HA -0.159 nan 4.420 nan 0.000 0.216 369 P C 1.199 178.594 177.300 0.160 0.000 1.153 369 P CA 2.152 65.287 63.100 0.058 0.000 0.858 369 P CB -0.122 31.549 31.700 -0.048 0.000 0.789 370 A N -0.294 122.604 122.820 0.130 0.000 1.902 370 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 370 A C 2.199 179.900 177.584 0.194 0.000 1.181 370 A CA 1.606 53.756 52.037 0.189 0.000 0.623 370 A CB -1.004 18.110 19.000 0.190 0.000 0.818 370 A HN 0.100 nan 8.150 nan 0.000 0.443 371 K N -1.040 119.421 120.400 0.102 0.000 2.057 371 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 371 K C 2.346 178.911 176.600 -0.059 0.000 1.050 371 K CA 1.438 57.717 56.287 -0.013 0.000 0.935 371 K CB -0.151 32.255 32.500 -0.157 0.000 0.715 371 K HN 0.284 nan 8.250 nan 0.000 0.439 372 R N 0.509 120.922 120.500 -0.145 0.000 2.096 372 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 372 R C 1.421 177.473 176.300 -0.413 0.000 1.127 372 R CA 1.466 57.342 56.100 -0.372 0.000 0.968 372 R CB -0.322 29.578 30.300 -0.666 0.000 0.861 372 R HN 0.083 nan 8.270 nan 0.000 0.440 373 F N -1.108 118.851 119.950 0.016 0.000 2.693 373 F HA 0.356 4.883 4.527 -0.000 0.000 0.303 373 F C 1.323 177.117 175.800 -0.009 0.000 1.097 373 F CA 0.444 58.445 58.000 0.002 0.000 1.330 373 F CB 0.701 39.706 39.000 0.007 0.000 1.067 373 F HN 0.243 nan 8.300 nan 0.000 0.565 374 G N 0.803 109.679 108.800 0.126 0.000 2.131 374 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.201 374 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.201 374 G C 0.022 174.979 174.900 0.095 0.000 1.000 374 G CA -0.324 44.831 45.100 0.092 0.000 0.680 374 G HN 0.301 nan 8.290 nan 0.000 0.514 375 L N 0.323 121.628 121.223 0.136 0.000 2.825 375 L HA 0.559 4.899 4.340 -0.000 0.000 0.236 375 L C -0.346 176.629 176.870 0.176 0.000 1.301 375 L CA -0.797 54.114 54.840 0.118 0.000 0.977 375 L CB 0.433 42.554 42.059 0.102 0.000 1.300 375 L HN 0.249 nan 8.230 nan 0.000 0.486 376 Y N 1.472 121.783 120.300 0.019 0.000 2.433 376 Y HA 0.485 5.035 4.550 -0.000 0.000 0.337 376 Y C -1.843 174.062 175.900 0.009 0.000 1.026 376 Y CA -1.339 56.770 58.100 0.016 0.000 1.037 376 Y CB 2.242 40.711 38.460 0.015 0.000 1.245 376 Y HN 0.112 nan 8.280 nan 0.000 0.443 377 P HA 0.151 nan 4.420 nan 0.000 0.243 377 P C 0.411 177.491 177.300 -0.366 0.000 1.672 377 P CA 0.153 62.778 63.100 -0.793 0.000 1.000 377 P CB 0.728 32.015 31.700 -0.689 0.000 1.562 378 Q N 0.853 120.549 119.800 -0.175 0.000 2.016 378 Q HA -0.046 4.294 4.340 -0.000 0.000 0.200 378 Q C 0.348 176.302 176.000 -0.077 0.000 0.978 378 Q CA 1.257 57.000 55.803 -0.100 0.000 0.833 378 Q CB 0.296 28.998 28.738 -0.060 0.000 0.895 378 Q HN 0.340 nan 8.270 nan 0.000 0.427 379 K N -2.402 117.976 120.400 -0.037 0.000 2.288 379 K HA 0.415 4.735 4.320 -0.000 0.000 0.234 379 K C 0.389 177.012 176.600 0.039 0.000 1.037 379 K CA 0.061 56.350 56.287 0.003 0.000 0.914 379 K CB 1.158 33.674 32.500 0.027 0.000 1.197 379 K HN 0.263 nan 8.250 nan 0.000 0.471 380 G N 0.423 109.265 108.800 0.069 0.000 2.175 380 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.265 380 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.265 380 G C 0.134 175.097 174.900 0.106 0.000 0.979 380 G CA 1.203 46.369 45.100 0.110 0.000 0.663 380 G HN 0.708 nan 8.290 nan 0.000 0.533 381 T N -2.210 112.376 114.554 0.053 0.000 2.907 381 T HA 0.767 5.117 4.350 -0.000 0.000 0.290 381 T C -0.439 174.300 174.700 0.066 0.000 1.066 381 T CA -0.921 61.197 62.100 0.030 0.000 1.012 381 T CB 2.597 71.412 68.868 -0.089 0.000 1.184 381 T HN 0.598 nan 8.240 nan 0.000 0.522 382 I N 2.295 122.895 120.570 0.049 0.000 2.493 382 I HA 0.424 4.594 4.170 -0.000 0.000 0.279 382 I C -0.422 175.710 176.117 0.025 0.000 1.045 382 I CA -0.564 60.769 61.300 0.055 0.000 1.106 382 I CB 1.162 39.132 38.000 -0.049 0.000 1.216 382 I HN 0.829 nan 8.210 nan 0.000 0.459 383 Q N 3.837 123.648 119.800 0.019 0.000 2.687 383 Q HA 0.489 4.829 4.340 -0.000 0.000 0.295 383 Q C -1.459 174.536 176.000 -0.009 0.000 0.920 383 Q CA -1.081 54.721 55.803 -0.001 0.000 0.766 383 Q CB 2.266 30.990 28.738 -0.023 0.000 1.467 383 Q HN 0.127 nan 8.270 nan 0.000 0.415 384 V N 1.591 121.496 119.914 -0.015 0.000 2.434 384 V HA 0.347 4.467 4.120 -0.000 0.000 0.281 384 V C 1.227 177.308 176.094 -0.022 0.000 1.005 384 V CA 1.955 64.245 62.300 -0.016 0.000 1.089 384 V CB -0.217 31.598 31.823 -0.014 0.000 0.978 384 V HN 1.085 nan 8.190 nan 0.000 0.474 385 G N 3.835 112.623 108.800 -0.020 0.000 2.211 385 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.201 385 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.201 385 G C 0.278 175.156 174.900 -0.037 0.000 0.997 385 G CA 0.085 45.169 45.100 -0.027 0.000 0.652 385 G HN 1.309 nan 8.290 nan 0.000 0.500 386 A N 0.108 122.908 122.820 -0.035 0.000 2.269 386 A HA 0.737 5.057 4.320 -0.000 0.000 0.319 386 A C 0.405 177.969 177.584 -0.032 0.000 1.110 386 A CA 0.299 52.309 52.037 -0.044 0.000 0.847 386 A CB 0.684 19.655 19.000 -0.048 0.000 1.161 386 A HN 0.594 nan 8.150 nan 0.000 0.497 387 E N 1.141 121.311 120.200 -0.051 0.000 2.292 387 E HA 0.312 4.662 4.350 -0.000 0.000 0.265 387 E C 0.123 176.667 176.600 -0.093 0.000 1.093 387 E CA -0.192 56.164 56.400 -0.074 0.000 0.922 387 E CB 0.382 30.029 29.700 -0.088 0.000 1.001 387 E HN 0.645 nan 8.360 nan 0.000 0.444 388 A N 4.611 127.349 122.820 -0.136 0.000 2.981 388 A HA 0.142 4.462 4.320 -0.000 0.000 0.280 388 A C -0.493 176.662 177.584 -0.715 0.000 1.797 388 A CA -0.166 51.686 52.037 -0.308 0.000 1.456 388 A CB -0.127 18.761 19.000 -0.187 0.000 1.057 388 A HN 0.397 nan 8.150 nan 0.000 0.602 389 S N 1.809 117.139 115.700 -0.616 0.000 2.707 389 S HA 0.760 5.230 4.470 -0.000 0.000 0.312 389 S C -0.737 173.628 174.600 -0.391 0.000 1.116 389 S CA -0.435 57.445 58.200 -0.533 0.000 1.078 389 S CB 0.323 63.389 63.200 -0.223 0.000 0.997 389 S HN 0.607 nan 8.310 nan 0.000 0.477 390 F N -0.721 119.228 119.950 -0.001 0.000 2.668 390 F HA 0.805 5.332 4.527 -0.000 0.000 0.309 390 F C -0.219 175.601 175.800 0.033 0.000 1.117 390 F CA -1.031 56.982 58.000 0.022 0.000 0.951 390 F CB 1.389 40.396 39.000 0.011 0.000 1.323 390 F HN 0.319 nan 8.300 nan 0.000 0.451 391 T N 1.489 116.228 114.554 0.307 0.000 2.908 391 T HA 0.716 5.066 4.350 -0.000 0.000 0.290 391 T C -1.453 173.395 174.700 0.247 0.000 1.034 391 T CA -0.621 61.608 62.100 0.214 0.000 1.010 391 T CB 1.281 70.224 68.868 0.125 0.000 1.068 391 T HN 0.711 nan 8.240 nan 0.000 0.481 392 L N 4.233 125.587 121.223 0.218 0.000 2.296 392 L HA 0.619 4.959 4.340 -0.000 0.000 0.286 392 L C -0.883 176.097 176.870 0.184 0.000 1.023 392 L CA -0.912 54.062 54.840 0.222 0.000 0.812 392 L CB 1.529 43.736 42.059 0.248 0.000 1.223 392 L HN 0.594 nan 8.230 nan 0.000 0.421 393 I N 2.885 123.587 120.570 0.220 0.000 2.474 393 I HA 0.255 4.425 4.170 -0.000 0.000 0.294 393 I C -0.244 175.985 176.117 0.187 0.000 1.005 393 I CA -0.147 61.250 61.300 0.162 0.000 1.113 393 I CB 1.922 39.991 38.000 0.114 0.000 1.289 393 I HN 0.393 nan 8.210 nan 0.000 0.436 394 D N 6.631 127.112 120.400 0.136 0.000 2.485 394 D HA 0.271 4.911 4.640 -0.000 0.000 0.221 394 D C 1.086 177.485 176.300 0.165 0.000 1.112 394 D CA -0.097 53.992 54.000 0.149 0.000 0.911 394 D CB 0.842 41.707 40.800 0.107 0.000 1.019 394 D HN 0.415 nan 8.370 nan 0.000 0.516 395 L N 2.324 123.656 121.223 0.181 0.000 1.956 395 L HA -0.196 4.144 4.340 -0.000 0.000 0.216 395 L C 1.054 178.109 176.870 0.308 0.000 1.073 395 L CA 1.004 55.996 54.840 0.253 0.000 0.762 395 L CB -0.291 41.879 42.059 0.184 0.000 0.889 395 L HN 0.263 nan 8.230 nan 0.000 0.433 396 N N 1.626 120.475 118.700 0.247 0.000 2.971 396 N HA 0.063 4.803 4.740 -0.000 0.000 0.294 396 N C -0.592 174.986 175.510 0.114 0.000 1.210 396 N CA 0.467 53.619 53.050 0.169 0.000 1.157 396 N CB -0.050 38.541 38.487 0.173 0.000 1.450 396 N HN 0.345 nan 8.380 nan 0.000 0.527 397 E N 0.202 120.468 120.200 0.110 0.000 2.378 397 E HA 0.183 4.533 4.350 -0.000 0.000 0.282 397 E C -1.218 175.508 176.600 0.210 0.000 0.910 397 E CA -0.373 56.117 56.400 0.151 0.000 0.816 397 E CB 0.823 30.624 29.700 0.169 0.000 1.359 397 E HN 0.085 nan 8.360 nan 0.000 0.397 398 S N 3.353 119.130 115.700 0.129 0.000 2.537 398 S HA 0.539 5.009 4.470 -0.000 0.000 0.275 398 S C -0.925 173.798 174.600 0.205 0.000 1.272 398 S CA -0.406 57.841 58.200 0.078 0.000 1.050 398 S CB 0.266 63.462 63.200 -0.007 0.000 0.961 398 S HN 0.477 nan 8.310 nan 0.000 0.496 399 Y N -1.578 118.752 120.300 0.050 0.000 2.558 399 Y HA 0.637 5.187 4.550 -0.000 0.000 0.333 399 Y C -0.960 174.965 175.900 0.041 0.000 1.125 399 Y CA -1.160 56.974 58.100 0.057 0.000 1.039 399 Y CB 0.420 38.934 38.460 0.090 0.000 1.331 399 Y HN 0.377 nan 8.280 nan 0.000 0.456 400 T N 4.276 118.892 114.554 0.104 0.000 2.771 400 T HA 0.410 4.760 4.350 -0.000 0.000 0.281 400 T C -0.733 174.033 174.700 0.111 0.000 0.982 400 T CA -0.485 61.607 62.100 -0.014 0.000 0.978 400 T CB 1.109 69.959 68.868 -0.030 0.000 0.930 400 T HN 0.780 nan 8.240 nan 0.000 0.447 401 L N 6.080 127.350 121.223 0.077 0.000 2.369 401 L HA 0.301 4.641 4.340 -0.000 0.000 0.279 401 L C 0.300 177.240 176.870 0.117 0.000 1.108 401 L CA -0.056 54.909 54.840 0.207 0.000 0.852 401 L CB 0.005 42.281 42.059 0.362 0.000 1.169 401 L HN 0.615 nan 8.230 nan 0.000 0.452 402 N N 4.089 122.849 118.700 0.101 0.000 2.671 402 N HA 0.358 5.098 4.740 -0.000 0.000 0.303 402 N C 0.588 176.131 175.510 0.055 0.000 1.277 402 N CA -0.172 52.916 53.050 0.062 0.000 0.933 402 N CB 0.797 39.305 38.487 0.035 0.000 1.190 402 N HN 0.527 nan 8.380 nan 0.000 0.600 403 A N 0.125 122.966 122.820 0.036 0.000 2.015 403 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 403 A C 1.959 179.530 177.584 -0.022 0.000 1.163 403 A CA 1.238 53.291 52.037 0.027 0.000 0.646 403 A CB -0.733 18.283 19.000 0.027 0.000 0.806 403 A HN 0.621 nan 8.150 nan 0.000 0.448 404 S N 0.367 116.045 115.700 -0.036 0.000 2.453 404 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 404 S C 1.218 175.720 174.600 -0.163 0.000 1.005 404 S CA 1.111 59.260 58.200 -0.085 0.000 0.949 404 S CB -0.275 62.892 63.200 -0.055 0.000 0.774 404 S HN 0.603 nan 8.310 nan 0.000 0.510 405 D N 1.551 121.882 120.400 -0.116 0.000 2.178 405 D HA 0.046 4.686 4.640 -0.000 0.000 0.202 405 D C 0.360 176.473 176.300 -0.313 0.000 0.974 405 D CA 0.576 54.489 54.000 -0.146 0.000 0.841 405 D CB -0.235 40.572 40.800 0.011 0.000 0.953 405 D HN 0.339 nan 8.370 nan 0.000 0.478 406 L N 0.778 121.833 121.223 -0.280 0.000 2.319 406 L HA 0.142 4.482 4.340 -0.000 0.000 0.280 406 L C 0.234 176.834 176.870 -0.451 0.000 1.099 406 L CA -0.375 54.220 54.840 -0.408 0.000 0.828 406 L CB 0.571 42.429 42.059 -0.335 0.000 1.150 406 L HN -0.035 nan 8.230 nan 0.000 0.442 407 Y N 1.346 121.427 120.300 -0.366 0.000 2.470 407 Y HA 0.127 4.677 4.550 -0.000 0.000 0.284 407 Y C 0.242 176.066 175.900 -0.126 0.000 1.188 407 Y CA -0.616 57.365 58.100 -0.199 0.000 1.269 407 Y CB -0.315 38.044 38.460 -0.169 0.000 1.094 407 Y HN 0.380 nan 8.280 nan 0.000 0.518 408 Y N -0.131 120.229 120.300 0.101 0.000 2.511 408 Y HA -0.000 4.550 4.550 -0.000 0.000 0.347 408 Y C 1.930 177.823 175.900 -0.011 0.000 1.257 408 Y CA -0.897 57.243 58.100 0.067 0.000 1.469 408 Y CB 0.427 38.974 38.460 0.145 0.000 1.353 408 Y HN -0.068 nan 8.280 nan 0.000 0.617 409 R N 0.180 120.732 120.500 0.088 0.000 2.081 409 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 409 R C -0.310 175.781 176.300 -0.347 0.000 1.131 409 R CA 1.550 57.537 56.100 -0.190 0.000 0.960 409 R CB -0.222 29.885 30.300 -0.321 0.000 0.856 409 R HN 0.656 nan 8.270 nan 0.000 0.436 410 H N 0.027 119.181 119.070 0.140 0.000 2.638 410 H HA 0.240 4.796 4.556 -0.000 0.000 0.317 410 H C -2.077 173.358 175.328 0.179 0.000 1.006 410 H CA -2.529 53.578 56.048 0.099 0.000 1.222 410 H CB 1.623 31.398 29.762 0.021 0.000 1.419 410 H HN 0.157 nan 8.280 nan 0.000 0.489 411 P HA 0.124 nan 4.420 nan 0.000 0.246 411 P C -0.098 177.333 177.300 0.219 0.000 1.686 411 P CA 0.170 63.402 63.100 0.221 0.000 0.867 411 P CB -0.502 31.247 31.700 0.081 0.000 1.733 412 I N -1.188 119.526 120.570 0.241 0.000 2.441 412 I HA 0.544 4.714 4.170 -0.000 0.000 0.295 412 I C 0.290 176.515 176.117 0.180 0.000 0.994 412 I CA -0.691 60.701 61.300 0.154 0.000 1.144 412 I CB 2.019 40.059 38.000 0.067 0.000 1.314 412 I HN -0.120 nan 8.210 nan 0.000 0.445 413 S N 5.351 121.147 115.700 0.159 0.000 2.535 413 S HA 0.459 4.929 4.470 -0.000 0.000 0.272 413 S C -2.276 172.365 174.600 0.068 0.000 1.149 413 S CA -0.970 57.343 58.200 0.189 0.000 0.888 413 S CB 1.982 65.443 63.200 0.434 0.000 1.110 413 S HN 0.465 nan 8.310 nan 0.000 0.463 414 P HA 0.001 nan 4.420 nan 0.000 0.230 414 P C 0.489 177.667 177.300 -0.204 0.000 1.158 414 P CA 0.876 63.781 63.100 -0.325 0.000 0.769 414 P CB -0.161 31.163 31.700 -0.628 0.000 0.807 415 Y N -0.558 119.914 120.300 0.288 0.000 2.546 415 Y HA 0.043 4.593 4.550 -0.000 0.000 0.287 415 Y C 1.362 177.388 175.900 0.209 0.000 1.158 415 Y CA -0.240 58.102 58.100 0.403 0.000 1.307 415 Y CB -0.663 38.127 38.460 0.550 0.000 1.036 415 Y HN -0.301 nan 8.280 nan 0.000 0.532 416 V N 0.862 120.923 119.914 0.243 0.000 2.485 416 V HA 0.282 4.402 4.120 -0.000 0.000 0.287 416 V C 1.161 177.283 176.094 0.047 0.000 1.022 416 V CA 1.225 63.607 62.300 0.137 0.000 1.067 416 V CB 0.206 32.091 31.823 0.104 0.000 0.967 416 V HN 0.674 nan 8.190 nan 0.000 0.479 417 G N 4.168 112.974 108.800 0.009 0.000 2.238 417 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 417 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 417 G C 0.187 175.028 174.900 -0.097 0.000 0.996 417 G CA 0.069 45.148 45.100 -0.036 0.000 0.632 417 G HN 0.654 nan 8.290 nan 0.000 0.503 418 Q N 0.786 120.492 119.800 -0.156 0.000 2.314 418 Q HA 0.590 4.930 4.340 -0.000 0.000 0.258 418 Q C 0.538 176.155 176.000 -0.639 0.000 0.954 418 Q CA -0.147 55.449 55.803 -0.345 0.000 0.890 418 Q CB 0.433 28.953 28.738 -0.363 0.000 1.210 418 Q HN 0.373 nan 8.270 nan 0.000 0.410 419 R N 4.267 124.477 120.500 -0.484 0.000 2.204 419 R HA 0.270 4.610 4.340 -0.000 0.000 0.341 419 R C -1.013 174.991 176.300 -0.493 0.000 1.035 419 R CA -0.188 55.644 56.100 -0.447 0.000 0.887 419 R CB 0.185 30.350 30.300 -0.225 0.000 1.114 419 R HN 0.567 nan 8.270 nan 0.000 0.473 420 F N 2.111 121.802 119.950 -0.432 0.000 2.368 420 F HA 0.455 4.982 4.527 -0.000 0.000 0.315 420 F C 1.086 176.592 175.800 -0.490 0.000 1.145 420 F CA -0.730 56.976 58.000 -0.490 0.000 1.095 420 F CB 0.921 39.517 39.000 -0.675 0.000 1.286 420 F HN 0.160 nan 8.300 nan 0.000 0.530 421 R N 0.829 121.306 120.500 -0.038 0.000 2.483 421 R HA 0.525 4.865 4.340 -0.000 0.000 0.303 421 R C -1.009 175.375 176.300 0.141 0.000 0.987 421 R CA -0.692 55.370 56.100 -0.062 0.000 0.881 421 R CB 1.530 31.611 30.300 -0.366 0.000 1.177 421 R HN 0.919 nan 8.270 nan 0.000 0.451 422 G N 3.238 112.217 108.800 0.298 0.000 3.071 422 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.620 422 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.620 422 G C -1.176 173.932 174.900 0.347 0.000 1.204 422 G CA -0.853 44.424 45.100 0.295 0.000 1.200 422 G HN 0.441 nan 8.290 nan 0.000 0.530 423 K N 1.921 122.446 120.400 0.209 0.000 2.292 423 K HA 0.673 4.993 4.320 -0.000 0.000 0.257 423 K C 0.614 177.203 176.600 -0.019 0.000 0.940 423 K CA -0.881 55.398 56.287 -0.013 0.000 0.811 423 K CB 2.226 34.554 32.500 -0.286 0.000 1.120 423 K HN 1.041 nan 8.250 nan 0.000 0.428 424 V N 5.264 125.156 119.914 -0.037 0.000 2.479 424 V HA 0.109 4.229 4.120 -0.000 0.000 0.281 424 V C 0.305 176.429 176.094 0.051 0.000 1.031 424 V CA 0.346 62.653 62.300 0.010 0.000 1.038 424 V CB 0.811 32.627 31.823 -0.011 0.000 0.981 424 V HN 0.833 nan 8.190 nan 0.000 0.478 425 K N 4.594 125.009 120.400 0.026 0.000 2.157 425 K HA 0.287 4.607 4.320 -0.000 0.000 0.207 425 K C 0.541 176.971 176.600 -0.283 0.000 1.030 425 K CA 0.920 57.133 56.287 -0.125 0.000 0.965 425 K CB 0.009 32.446 32.500 -0.104 0.000 0.877 425 K HN 0.840 nan 8.250 nan 0.000 0.460 426 H N 0.642 119.743 119.070 0.051 0.000 2.524 426 H HA 0.384 4.940 4.556 -0.000 0.000 0.353 426 H C -0.530 174.815 175.328 0.028 0.000 1.136 426 H CA -0.248 55.793 56.048 -0.011 0.000 1.193 426 H CB 1.822 31.587 29.762 0.005 0.000 1.558 426 H HN -0.043 nan 8.280 nan 0.000 0.515 427 T N 3.668 118.288 114.554 0.110 0.000 2.824 427 T HA 0.475 4.825 4.350 -0.000 0.000 0.282 427 T C 0.076 174.703 174.700 -0.122 0.000 0.993 427 T CA -0.533 61.601 62.100 0.056 0.000 0.967 427 T CB 1.031 69.964 68.868 0.108 0.000 0.960 427 T HN 0.274 nan 8.240 nan 0.000 0.441 428 I N 2.184 122.683 120.570 -0.118 0.000 2.466 428 I HA 0.500 4.670 4.170 -0.000 0.000 0.289 428 I C -0.534 175.447 176.117 -0.226 0.000 1.026 428 I CA -0.445 60.737 61.300 -0.197 0.000 1.078 428 I CB 1.755 39.646 38.000 -0.181 0.000 1.249 428 I HN 0.718 nan 8.210 nan 0.000 0.429 429 C N 5.976 125.169 119.300 -0.178 0.000 2.431 429 C HA 0.476 4.936 4.460 -0.000 0.000 0.321 429 C C 0.454 175.349 174.990 -0.159 0.000 1.202 429 C CA -0.214 58.705 59.018 -0.166 0.000 1.398 429 C CB 0.361 28.048 27.740 -0.088 0.000 2.047 429 C HN 0.950 nan 8.230 nan 0.000 0.465 430 Q N 3.674 123.359 119.800 -0.192 0.000 2.457 430 Q HA -0.200 4.140 4.340 -0.000 0.000 0.283 430 Q C 1.205 177.125 176.000 -0.134 0.000 1.234 430 Q CA 1.706 57.415 55.803 -0.156 0.000 0.877 430 Q CB -1.156 27.511 28.738 -0.119 0.000 1.250 430 Q HN 1.950 nan 8.270 nan 0.000 0.481 431 G N -0.430 108.261 108.800 -0.181 0.000 2.417 431 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.233 431 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.233 431 G C 0.155 175.018 174.900 -0.061 0.000 1.103 431 G CA 0.272 45.304 45.100 -0.114 0.000 0.647 431 G HN 0.327 nan 8.290 nan 0.000 0.512 432 K N 1.632 122.002 120.400 -0.050 0.000 2.412 432 K HA 0.133 4.453 4.320 -0.000 0.000 0.284 432 K C -0.154 176.457 176.600 0.018 0.000 1.046 432 K CA -0.508 55.779 56.287 0.001 0.000 0.999 432 K CB -0.020 32.478 32.500 -0.002 0.000 0.941 432 K HN 0.391 nan 8.250 nan 0.000 0.474 433 H N 5.058 124.117 119.070 -0.017 0.000 3.291 433 H HA 0.009 4.565 4.556 -0.000 0.000 0.256 433 H C 0.246 175.587 175.328 0.021 0.000 1.315 433 H CA 0.264 56.314 56.048 0.004 0.000 1.521 433 H CB 0.424 30.185 29.762 -0.001 0.000 1.621 433 H HN 0.356 nan 8.280 nan 0.000 0.498 434 V N 6.719 126.617 119.914 -0.026 0.000 3.578 434 V HA 0.075 4.195 4.120 -0.000 0.000 0.290 434 V C -0.854 175.294 176.094 0.091 0.000 1.376 434 V CA 0.116 62.437 62.300 0.035 0.000 1.083 434 V CB -0.280 31.548 31.823 0.009 0.000 0.911 434 V HN 0.651 nan 8.190 nan 0.000 0.433 435 Y N 0.976 121.215 120.300 -0.102 0.000 2.521 435 Y HA 0.578 5.128 4.550 -0.000 0.000 0.332 435 Y C -0.761 175.117 175.900 -0.036 0.000 1.121 435 Y CA -1.117 56.929 58.100 -0.089 0.000 1.037 435 Y CB 1.319 39.692 38.460 -0.145 0.000 1.330 435 Y HN 0.337 nan 8.280 nan 0.000 0.452 436 Q N 3.526 122.857 119.800 -0.782 0.000 2.484 436 Q HA 0.468 4.808 4.340 -0.000 0.000 0.285 436 Q C -1.555 173.831 176.000 -1.023 0.000 1.097 436 Q CA -1.041 54.362 55.803 -0.667 0.000 0.802 436 Q CB 2.436 31.146 28.738 -0.047 0.000 1.444 436 Q HN 0.660 nan 8.270 nan 0.000 0.429 437 D N 0.000 120.009 120.400 -0.652 0.000 6.856 437 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 437 D CA 0.000 53.768 54.000 -0.387 0.000 0.868 437 D CB 0.000 40.626 40.800 -0.291 0.000 0.688 437 D HN 0.000 nan 8.370 nan 0.000 0.683